# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/27a7de1d-067a-4a48-a89b-44fcac597ea1/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 BaAg(PO3)3 / P2_12_12_1 (19) / materials id 10070](https://mdr.nims.go.jp/datasets/2d7749e0-0b57-4fad-99e7-be8c1866f75b) ## 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_12_12_1" number: 19 Hall_symbol: "P 2ac 2ab"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 5.909109000000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 11.117617380000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.281989360000001 ] # c points: - symbol: O # 1 coordinates: [ 0.506364450000000, 0.938241720000000, 0.932028390000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.006364450000000, 0.561758280000000, 0.067971610000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.493635550000000, 0.438241720000000, 0.567971610000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.993635550000000, 0.061758280000000, 0.432028390000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.829105180000000, 0.869856000000000, 0.801611230000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.329105180000000, 0.630144000000000, 0.198388770000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.170894820000000, 0.369856000000000, 0.698388770000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.670894820000000, 0.130144000000000, 0.301611230000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.187397820000000, 0.699697190000000, 0.627237910000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.687397820000000, 0.800302810000000, 0.372762090000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.812602180000000, 0.199697190000000, 0.872762090000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.312602180000000, 0.300302810000000, 0.127237910000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.617170300000000, 0.701106500000000, 0.612980460000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.117170300000000, 0.798893500000000, 0.387019540000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.382829700000000, 0.201106500000000, 0.887019540000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.882829700000000, 0.298893500000000, 0.112980460000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.836526630000000, 0.556367930000000, 0.819455160000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.336526630000000, 0.943632070000000, 0.180544840000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.163473370000000, 0.056367930000000, 0.680544840000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.663473370000000, 0.443632070000000, 0.319455160000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.889583820000000, 0.280788410000000, 0.420166970000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.389583820000000, 0.219211590000000, 0.579833030000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.110416180000000, 0.780788410000000, 0.079833030000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.610416180000000, 0.719211590000000, 0.920166970000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.083407620000000, 0.178856280000000, 0.262587550000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.583407620000000, 0.321143720000000, 0.737412450000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.916592380000000, 0.678856280000000, 0.237412450000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.416592380000000, 0.821143720000000, 0.762587550000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.079411950000000, 0.402046950000000, 0.274260730000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.579411950000000, 0.097953050000000, 0.725739270000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.920588050000000, 0.902046950000000, 0.225739270000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.420588050000000, 0.597953050000000, 0.774260730000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.987367520000000, 0.500215700000000, 0.450267650000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.487367520000000, 0.999784300000000, 0.549732350000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.012632480000000, 0.000215700000000, 0.049732350000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.512632480000000, 0.499784300000000, 0.950267650000000 ] mass: 15.999400 - symbol: P # 37 coordinates: [ 0.606923660000000, 0.847586890000000, 0.856895810000000 ] mass: 30.973762 - symbol: P # 38 coordinates: [ 0.106923660000000, 0.652413110000000, 0.143104190000000 ] mass: 30.973762 - symbol: P # 39 coordinates: [ 0.393076340000000, 0.347586890000000, 0.643104190000000 ] mass: 30.973762 - symbol: P # 40 coordinates: [ 0.893076340000000, 0.152413110000000, 0.356895810000000 ] mass: 30.973762 - symbol: P # 41 coordinates: [ 0.410349870000000, 0.704305340000000, 0.684969280000000 ] mass: 30.973762 - symbol: P # 42 coordinates: [ 0.910349870000000, 0.795694660000000, 0.315030720000000 ] mass: 30.973762 - symbol: P # 43 coordinates: [ 0.589650130000000, 0.204305340000000, 0.815030720000000 ] mass: 30.973762 - symbol: P # 44 coordinates: [ 0.089650130000000, 0.295694660000000, 0.184969280000000 ] mass: 30.973762 - symbol: P # 45 coordinates: [ 0.611673430000000, 0.586119390000000, 0.869165730000000 ] mass: 30.973762 - symbol: P # 46 coordinates: [ 0.111673430000000, 0.913880610000000, 0.130834270000000 ] mass: 30.973762 - symbol: P # 47 coordinates: [ 0.388326570000000, 0.086119390000000, 0.630834270000000 ] mass: 30.973762 - symbol: P # 48 coordinates: [ 0.888326570000000, 0.413880610000000, 0.369165730000000 ] mass: 30.973762 - symbol: Ag # 49 coordinates: [ 0.602628790000000, 0.481512560000000, 0.133772360000000 ] mass: 107.868200 - symbol: Ag # 50 coordinates: [ 0.102628790000000, 0.018487440000000, 0.866227640000000 ] mass: 107.868200 - symbol: Ag # 51 coordinates: [ 0.397371210000000, 0.981512560000000, 0.366227640000000 ] mass: 107.868200 - symbol: Ag # 52 coordinates: [ 0.897371210000000, 0.518487440000000, 0.633772360000000 ] mass: 107.868200 - symbol: Ba # 53 coordinates: [ 0.597284730000000, 0.110060960000000, 0.080949710000000 ] mass: 137.327000 - symbol: Ba # 54 coordinates: [ 0.097284730000000, 0.389939040000000, 0.919050290000000 ] mass: 137.327000 - symbol: Ba # 55 coordinates: [ 0.402715270000000, 0.610060960000000, 0.419050290000000 ] mass: 137.327000 - symbol: Ba # 56 coordinates: [ 0.902715270000000, 0.889939040000000, 0.580949710000000 ] mass: 137.327000 reciprocal_lattice: # without 2pi - [ 0.169230251125847, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.089947330063629, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.081420034710077 ] # c*unit_cell: lattice: - [ 5.909109000000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 11.117617380000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.281989360000001 ] # c points: - symbol: O # 1 coordinates: [ 0.506364450000000, 0.938241720000000, 0.932028390000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.006364450000000, 0.561758280000000, 0.067971610000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.493635550000000, 0.438241720000000, 0.567971610000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.993635550000000, 0.061758280000000, 0.432028390000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.829105180000000, 0.869856000000000, 0.801611230000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.329105180000000, 0.630144000000000, 0.198388770000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.170894820000000, 0.369856000000000, 0.698388770000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.670894820000000, 0.130144000000000, 0.301611230000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.187397820000000, 0.699697190000000, 0.627237910000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.687397820000000, 0.800302810000000, 0.372762090000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.812602180000000, 0.199697190000000, 0.872762090000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.312602180000000, 0.300302810000000, 0.127237910000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.617170300000000, 0.701106500000000, 0.612980460000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.117170300000000, 0.798893500000000, 0.387019540000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.382829700000000, 0.201106500000000, 0.887019540000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.882829700000000, 0.298893500000000, 0.112980460000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.836526630000000, 0.556367930000000, 0.819455160000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.336526630000000, 0.943632070000000, 0.180544840000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.163473370000000, 0.056367930000000, 0.680544840000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.663473370000000, 0.443632070000000, 0.319455160000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.889583820000000, 0.280788410000000, 0.420166970000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.389583820000000, 0.219211590000000, 0.579833030000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.110416180000000, 0.780788410000000, 0.079833030000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.610416180000000, 0.719211590000000, 0.920166970000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.083407620000000, 0.178856280000000, 0.262587550000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.583407620000000, 0.321143720000000, 0.737412450000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.916592380000000, 0.678856280000000, 0.237412450000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.416592380000000, 0.821143720000000, 0.762587550000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.079411950000000, 0.402046950000000, 0.274260730000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.579411950000000, 0.097953050000000, 0.725739270000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.920588050000000, 0.902046950000000, 0.225739270000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.420588050000000, 0.597953050000000, 0.774260730000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.987367520000000, 0.500215700000000, 0.450267650000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.487367520000000, 0.999784300000000, 0.549732350000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.012632480000000, 0.000215700000000, 0.049732350000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.512632480000000, 0.499784300000000, 0.950267650000000 ] mass: 15.999400 reduced_to: 36 - symbol: P # 37 coordinates: [ 0.606923660000000, 0.847586890000000, 0.856895810000000 ] mass: 30.973762 reduced_to: 37 - symbol: P # 38 coordinates: [ 0.106923660000000, 0.652413110000000, 0.143104190000000 ] mass: 30.973762 reduced_to: 38 - symbol: P # 39 coordinates: [ 0.393076340000000, 0.347586890000000, 0.643104190000000 ] mass: 30.973762 reduced_to: 39 - symbol: P # 40 coordinates: [ 0.893076340000000, 0.152413110000000, 0.356895810000000 ] mass: 30.973762 reduced_to: 40 - symbol: P # 41 coordinates: [ 0.410349870000000, 0.704305340000000, 0.684969280000000 ] mass: 30.973762 reduced_to: 41 - symbol: P # 42 coordinates: [ 0.910349870000000, 0.795694660000000, 0.315030720000000 ] mass: 30.973762 reduced_to: 42 - symbol: P # 43 coordinates: [ 0.589650130000000, 0.204305340000000, 0.815030720000000 ] mass: 30.973762 reduced_to: 43 - symbol: P # 44 coordinates: [ 0.089650130000000, 0.295694660000000, 0.184969280000000 ] mass: 30.973762 reduced_to: 44 - symbol: P # 45 coordinates: [ 0.611673430000000, 0.586119390000000, 0.869165730000000 ] mass: 30.973762 reduced_to: 45 - symbol: P # 46 coordinates: [ 0.111673430000000, 0.913880610000000, 0.130834270000000 ] mass: 30.973762 reduced_to: 46 - symbol: P # 47 coordinates: [ 0.388326570000000, 0.086119390000000, 0.630834270000000 ] mass: 30.973762 reduced_to: 47 - symbol: P # 48 coordinates: [ 0.888326570000000, 0.413880610000000, 0.369165730000000 ] mass: 30.973762 reduced_to: 48 - symbol: Ag # 49 coordinates: [ 0.602628790000000, 0.481512560000000, 0.133772360000000 ] mass: 107.868200 reduced_to: 49 - symbol: Ag # 50 coordinates: [ 0.102628790000000, 0.018487440000000, 0.866227640000000 ] mass: 107.868200 reduced_to: 50 - symbol: Ag # 51 coordinates: [ 0.397371210000000, 0.981512560000000, 0.366227640000000 ] mass: 107.868200 reduced_to: 51 - symbol: Ag # 52 coordinates: [ 0.897371210000000, 0.518487440000000, 0.633772360000000 ] mass: 107.868200 reduced_to: 52 - symbol: Ba # 53 coordinates: [ 0.597284730000000, 0.110060960000000, 0.080949710000000 ] mass: 137.327000 reduced_to: 53 - symbol: Ba # 54 coordinates: [ 0.097284730000000, 0.389939040000000, 0.919050290000000 ] mass: 137.327000 reduced_to: 54 - symbol: Ba # 55 coordinates: [ 0.402715270000000, 0.610060960000000, 0.419050290000000 ] mass: 137.327000 reduced_to: 55 - symbol: Ba # 56 coordinates: [ 0.902715270000000, 0.889939040000000, 0.580949710000000 ] mass: 137.327000 reduced_to: 56supercell: lattice: - [ 11.818218000000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 11.117617380000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.281989360000001 ] # c points: - symbol: O # 1 coordinates: [ 0.253182225000000, 0.938241720000000, 0.932028390000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.753182225000000, 0.938241720000000, 0.932028390000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.003182225000000, 0.561758280000000, 0.067971610000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.503182225000000, 0.561758280000000, 0.067971610000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 5 coordinates: [ 0.246817775000000, 0.438241720000000, 0.567971610000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.746817775000000, 0.438241720000000, 0.567971610000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 7 coordinates: [ 0.496817775000000, 0.061758280000000, 0.432028390000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.996817775000000, 0.061758280000000, 0.432028390000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 9 coordinates: [ 0.414552590000000, 0.869856000000000, 0.801611230000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.914552590000000, 0.869856000000000, 0.801611230000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 11 coordinates: [ 0.164552590000000, 0.630144000000000, 0.198388770000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.664552590000000, 0.630144000000000, 0.198388770000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 13 coordinates: [ 0.085447410000000, 0.369856000000000, 0.698388770000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.585447410000000, 0.369856000000000, 0.698388770000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.335447410000000, 0.130144000000000, 0.301611230000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.835447410000000, 0.130144000000000, 0.301611230000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 17 coordinates: [ 0.093698910000000, 0.699697190000000, 0.627237910000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.593698910000000, 0.699697190000000, 0.627237910000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 19 coordinates: [ 0.343698910000000, 0.800302810000000, 0.372762090000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.843698910000000, 0.800302810000000, 0.372762090000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 21 coordinates: [ 0.406301090000000, 0.199697190000000, 0.872762090000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.906301090000000, 0.199697190000000, 0.872762090000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 23 coordinates: [ 0.156301090000000, 0.300302810000000, 0.127237910000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.656301090000000, 0.300302810000000, 0.127237910000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 25 coordinates: [ 0.308585150000000, 0.701106500000000, 0.612980460000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.808585150000000, 0.701106500000000, 0.612980460000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.058585150000000, 0.798893500000000, 0.387019540000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.558585150000000, 0.798893500000000, 0.387019540000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 29 coordinates: [ 0.191414850000000, 0.201106500000000, 0.887019540000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.691414850000000, 0.201106500000000, 0.887019540000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 31 coordinates: [ 0.441414850000000, 0.298893500000000, 0.112980460000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.941414850000000, 0.298893500000000, 0.112980460000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 33 coordinates: [ 0.418263315000000, 0.556367930000000, 0.819455160000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.918263315000000, 0.556367930000000, 0.819455160000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.168263315000000, 0.943632070000000, 0.180544840000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.668263315000000, 0.943632070000000, 0.180544840000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 37 coordinates: [ 0.081736685000000, 0.056367930000000, 0.680544840000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.581736685000000, 0.056367930000000, 0.680544840000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.331736685000000, 0.443632070000000, 0.319455160000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.831736685000000, 0.443632070000000, 0.319455160000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 41 coordinates: [ 0.444791910000000, 0.280788410000000, 0.420166970000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.944791910000000, 0.280788410000000, 0.420166970000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.194791910000000, 0.219211590000000, 0.579833030000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.694791910000000, 0.219211590000000, 0.579833030000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.055208090000000, 0.780788410000000, 0.079833030000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.555208090000000, 0.780788410000000, 0.079833030000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.305208090000000, 0.719211590000000, 0.920166970000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.805208090000000, 0.719211590000000, 0.920166970000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 49 coordinates: [ 0.041703810000000, 0.178856280000000, 0.262587550000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.541703810000000, 0.178856280000000, 0.262587550000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.291703810000000, 0.321143720000000, 0.737412450000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.791703810000000, 0.321143720000000, 0.737412450000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 53 coordinates: [ 0.458296190000000, 0.678856280000000, 0.237412450000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.958296190000000, 0.678856280000000, 0.237412450000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.208296190000000, 0.821143720000000, 0.762587550000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.708296190000000, 0.821143720000000, 0.762587550000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.039705975000000, 0.402046950000000, 0.274260730000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.539705975000000, 0.402046950000000, 0.274260730000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.289705975000000, 0.097953050000000, 0.725739270000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.789705975000000, 0.097953050000000, 0.725739270000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 61 coordinates: [ 0.460294025000000, 0.902046950000000, 0.225739270000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.960294025000000, 0.902046950000000, 0.225739270000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.210294025000000, 0.597953050000000, 0.774260730000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.710294025000000, 0.597953050000000, 0.774260730000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 65 coordinates: [ 0.493683760000000, 0.500215700000000, 0.450267650000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.993683760000000, 0.500215700000000, 0.450267650000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.243683760000000, 0.999784300000000, 0.549732350000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.743683760000000, 0.999784300000000, 0.549732350000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.006316240000000, 0.000215700000000, 0.049732350000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.506316240000000, 0.000215700000000, 0.049732350000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.256316240000000, 0.499784300000000, 0.950267650000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.756316240000000, 0.499784300000000, 0.950267650000000 ] mass: 15.999400 reduced_to: 71 - symbol: P # 73 coordinates: [ 0.303461830000000, 0.847586890000000, 0.856895810000000 ] mass: 30.973762 reduced_to: 73 - symbol: P # 74 coordinates: [ 0.803461830000000, 0.847586890000000, 0.856895810000000 ] mass: 30.973762 reduced_to: 73 - symbol: P # 75 coordinates: [ 0.053461830000000, 0.652413110000000, 0.143104190000000 ] mass: 30.973762 reduced_to: 75 - symbol: P # 76 coordinates: [ 0.553461830000000, 0.652413110000000, 0.143104190000000 ] mass: 30.973762 reduced_to: 75 - symbol: P # 77 coordinates: [ 0.196538170000000, 0.347586890000000, 0.643104190000000 ] mass: 30.973762 reduced_to: 77 - symbol: P # 78 coordinates: [ 0.696538170000000, 0.347586890000000, 0.643104190000000 ] mass: 30.973762 reduced_to: 77 - symbol: P # 79 coordinates: [ 0.446538170000000, 0.152413110000000, 0.356895810000000 ] mass: 30.973762 reduced_to: 79 - symbol: P # 80 coordinates: [ 0.946538170000000, 0.152413110000000, 0.356895810000000 ] mass: 30.973762 reduced_to: 79 - symbol: P # 81 coordinates: [ 0.205174935000000, 0.704305340000000, 0.684969280000000 ] mass: 30.973762 reduced_to: 81 - symbol: P # 82 coordinates: [ 0.705174935000000, 0.704305340000000, 0.684969280000000 ] mass: 30.973762 reduced_to: 81 - symbol: P # 83 coordinates: [ 0.455174935000000, 0.795694660000000, 0.315030720000000 ] mass: 30.973762 reduced_to: 83 - symbol: P # 84 coordinates: [ 0.955174935000000, 0.795694660000000, 0.315030720000000 ] mass: 30.973762 reduced_to: 83 - symbol: P # 85 coordinates: [ 0.294825065000000, 0.204305340000000, 0.815030720000000 ] mass: 30.973762 reduced_to: 85 - symbol: P # 86 coordinates: [ 0.794825065000000, 0.204305340000000, 0.815030720000000 ] mass: 30.973762 reduced_to: 85 - symbol: P # 87 coordinates: [ 0.044825065000000, 0.295694660000000, 0.184969280000000 ] mass: 30.973762 reduced_to: 87 - symbol: P # 88 coordinates: [ 0.544825065000000, 0.295694660000000, 0.184969280000000 ] mass: 30.973762 reduced_to: 87 - symbol: P # 89 coordinates: [ 0.305836715000000, 0.586119390000000, 0.869165730000000 ] mass: 30.973762 reduced_to: 89 - symbol: P # 90 coordinates: [ 0.805836715000000, 0.586119390000000, 0.869165730000000 ] mass: 30.973762 reduced_to: 89 - symbol: P # 91 coordinates: [ 0.055836715000000, 0.913880610000000, 0.130834270000000 ] mass: 30.973762 reduced_to: 91 - symbol: P # 92 coordinates: [ 0.555836715000000, 0.913880610000000, 0.130834270000000 ] mass: 30.973762 reduced_to: 91 - symbol: P # 93 coordinates: [ 0.194163285000000, 0.086119390000000, 0.630834270000000 ] mass: 30.973762 reduced_to: 93 - symbol: P # 94 coordinates: [ 0.694163285000000, 0.086119390000000, 0.630834270000000 ] mass: 30.973762 reduced_to: 93 - symbol: P # 95 coordinates: [ 0.444163285000000, 0.413880610000000, 0.369165730000000 ] mass: 30.973762 reduced_to: 95 - symbol: P # 96 coordinates: [ 0.944163285000000, 0.413880610000000, 0.369165730000000 ] mass: 30.973762 reduced_to: 95 - symbol: Ag # 97 coordinates: [ 0.301314395000000, 0.481512560000000, 0.133772360000000 ] mass: 107.868200 reduced_to: 97 - symbol: Ag # 98 coordinates: [ 0.801314395000000, 0.481512560000000, 0.133772360000000 ] mass: 107.868200 reduced_to: 97 - symbol: Ag # 99 coordinates: [ 0.051314395000000, 0.018487440000000, 0.866227640000000 ] mass: 107.868200 reduced_to: 99 - symbol: Ag # 100 coordinates: [ 0.551314395000000, 0.018487440000000, 0.866227640000000 ] mass: 107.868200 reduced_to: 99 - symbol: Ag # 101 coordinates: [ 0.198685605000000, 0.981512560000000, 0.366227640000000 ] mass: 107.868200 reduced_to: 101 - symbol: Ag # 102 coordinates: [ 0.698685605000000, 0.981512560000000, 0.366227640000000 ] mass: 107.868200 reduced_to: 101 - symbol: Ag # 103 coordinates: [ 0.448685605000000, 0.518487440000000, 0.633772360000000 ] mass: 107.868200 reduced_to: 103 - symbol: Ag # 104 coordinates: [ 0.948685605000000, 0.518487440000000, 0.633772360000000 ] mass: 107.868200 reduced_to: 103 - symbol: Ba # 105 coordinates: [ 0.298642365000000, 0.110060960000000, 0.080949710000000 ] mass: 137.327000 reduced_to: 105 - symbol: Ba # 106 coordinates: [ 0.798642365000000, 0.110060960000000, 0.080949710000000 ] mass: 137.327000 reduced_to: 105 - symbol: Ba # 107 coordinates: [ 0.048642365000000, 0.389939040000000, 0.919050290000000 ] mass: 137.327000 reduced_to: 107 - symbol: Ba # 108 coordinates: [ 0.548642365000000, 0.389939040000000, 0.919050290000000 ] mass: 137.327000 reduced_to: 107 - symbol: Ba # 109 coordinates: [ 0.201357635000000, 0.610060960000000, 0.419050290000000 ] mass: 137.327000 reduced_to: 109 - symbol: Ba # 110 coordinates: [ 0.701357635000000, 0.610060960000000, 0.419050290000000 ] mass: 137.327000 reduced_to: 109 - symbol: Ba # 111 coordinates: [ 0.451357635000000, 0.889939040000000, 0.580949710000000 ] mass: 137.327000 reduced_to: 111 - symbol: Ba # 112 coordinates: [ 0.951357635000000, 0.889939040000000, 0.580949710000000 ] mass: 137.327000 reduced_to: 111displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1243169600000000, 0.1206508600000000, 0.1140551500000000 ] - [ 0.0017520500000000, -0.0002450100000000, -0.0000968000000000 ] - [ 0.0001663000000000, 0.0007321900000000, -0.0000091800000000 ] - [ 0.0001640400000000, -0.0003418800000000, 0.0001946400000000 ] - [ -0.0003288800000000, -0.0003589700000000, 0.0000271400000000 ] - [ 0.0001907400000000, 0.0000184000000000, -0.0000508900000000 ] - [ -0.0001809800000000, 0.0006277500000000, -0.0004690400000000 ] - [ 0.0001726900000000, -0.0001535500000000, 0.0001452200000000 ] - [ 0.0104477700000000, -0.0148297900000000, -0.0259171900000000 ] - [ 0.0023739100000000, 0.0008754900000000, -0.0001599700000000 ] - [ -0.0012324800000000, 0.0007229500000000, -0.0002133800000000 ] - [ -0.0000061600000000, -0.0002773100000000, 0.0004956000000000 ] - [ 0.0003579200000000, -0.0003124800000000, 0.0003199200000000 ] - [ 0.0008729900000000, -0.0000853900000000, 0.0000944900000000 ] - [ 0.0000540400000000, -0.0000301600000000, -0.0002124900000000 ] - [ 0.0009546600000000, 0.0000468200000000, -0.0002517800000000 ] - [ -0.0006489800000000, 0.0007639600000000, -0.0001071500000000 ] - [ 0.0006752300000000, -0.0005748500000000, -0.0005794800000000 ] - [ -0.0011283300000000, -0.0000355600000000, 0.0003719800000000 ] - [ 0.0002261600000000, 0.0002252300000000, 0.0000136200000000 ] - [ -0.0014930700000000, 0.0013940500000000, -0.0000349400000000 ] - [ 0.0018111800000000, -0.0007006100000000, 0.0007658300000000 ] - [ -0.0000527400000000, 0.0000599600000000, -0.0004591900000000 ] - [ 0.0008047900000000, 0.0000174900000000, -0.0004366200000000 ] - [ -0.0025510900000000, 0.0005315700000000, 0.0011188900000000 ] - [ 0.0005302300000000, 0.0000451100000000, 0.0001178300000000 ] - [ -0.0003899800000000, 0.0003991600000000, -0.0006783200000000 ] - [ -0.0001977700000000, -0.0002175300000000, -0.0004821700000000 ] - [ -0.0028525500000000, -0.0035388600000000, 0.0007975400000000 ] - [ 0.0015096300000000, 0.0001758500000000, -0.0002827800000000 ] - [ 0.0002624600000000, 0.0000423900000000, 0.0003507100000000 ] - [ 0.0003096400000000, -0.0001517100000000, 0.0001301000000000 ] - [ -0.0004359800000000, -0.0009881700000000, -0.0003196500000000 ] - [ 0.0001196200000000, 0.0001634400000000, -0.0000663400000000 ] - [ -0.0013508900000000, -0.0004468800000000, -0.0023269500000000 ] - [ 0.0010367100000000, -0.0001297200000000, 0.0009405300000000 ] - [ -0.0013162600000000, -0.0009286600000000, 0.0037213200000000 ] - [ 0.0018287000000000, 0.0009349700000000, -0.0007935900000000 ] - [ 0.0000422900000000, -0.0000642800000000, -0.0001601700000000 ] - [ 0.0005602800000000, -0.0002265300000000, -0.0001573300000000 ] - [ -0.0002267600000000, 0.0001124800000000, 0.0001737600000000 ] - [ 0.0000446200000000, -0.0003043800000000, 0.0001811700000000 ] - [ -0.0007508100000000, -0.0007584000000000, -0.0002240600000000 ] - [ 0.0003742100000000, 0.0005798100000000, -0.0002558500000000 ] - [ 0.0004728300000000, 0.0023781300000000, -0.0018475900000000 ] - [ 0.0005169400000000, -0.0009273500000000, 0.0005757200000000 ] - [ -0.0054497200000000, -0.0095618900000000, -0.0030823400000000 ] - [ 0.0007121600000000, 0.0005026700000000, 0.0001323300000000 ] - [ -0.0002680100000000, -0.0003630700000000, -0.0000791700000000 ] - [ -0.0004396700000000, 0.0001473500000000, 0.0000238000000000 ] - [ -0.0011693700000000, -0.0001708800000000, 0.0002528600000000 ] - [ 0.0002069700000000, -0.0001233700000000, 0.0003803500000000 ] - [ 0.0002638700000000, -0.0003111700000000, 0.0002111500000000 ] - [ 0.0006135700000000, 0.0004713900000000, -0.0006581800000000 ] - [ -0.0047512600000000, 0.0108004200000000, 0.0138147900000000 ] - [ 0.0022060700000000, 0.0003447900000000, 0.0006451400000000 ] - [ -0.0004458800000000, 0.0007404700000000, -0.0006575400000000 ] - [ -0.0005020000000000, 0.0009062800000000, -0.0004863200000000 ] - [ -0.0025063900000000, -0.0006501200000000, 0.0003121000000000 ] - [ 0.0005417600000000, -0.0006524300000000, 0.0010620300000000 ] - [ 0.0002374900000000, 0.0004276100000000, 0.0014908000000000 ] - [ 0.0013624800000000, 0.0021112700000000, -0.0017349000000000 ] - [ -0.0008752700000000, -0.0001513700000000, -0.0024323300000000 ] - [ 0.0010932600000000, -0.0010491300000000, -0.0001042400000000 ] - [ -0.0002752600000000, 0.0003255700000000, -0.0003476500000000 ] - [ -0.0001559100000000, 0.0003635700000000, -0.0003652200000000 ] - [ -0.0018305600000000, 0.0002093800000000, 0.0008230400000000 ] - [ 0.0006428400000000, -0.0005314100000000, 0.0000299700000000 ] - [ 0.0025432100000000, 0.0009234000000000, -0.0054356800000000 ] - [ 0.0023206100000000, 0.0004395600000000, 0.0028531900000000 ] - [ -0.0005781600000000, -0.0020147100000000, -0.0000142200000000 ] - [ 0.0005881000000000, -0.0002987100000000, -0.0002741000000000 ] - [ 0.1226844700000000, -0.1086673400000000, -0.1043270800000000 ] - [ -0.0044234900000000, -0.0008178600000000, 0.0010278900000000 ] - [ 0.0002399400000000, -0.0027294100000000, 0.0010423800000000 ] - [ -0.0007156100000000, 0.0015561300000000, -0.0013301700000000 ] - [ 0.0005953700000000, 0.0005030200000000, -0.0003183600000000 ] - [ -0.0005491300000000, -0.0005698000000000, -0.0005253000000000 ] - [ 0.0008808000000000, -0.0001778500000000, 0.0006321300000000 ] - [ -0.0004446600000000, 0.0007472600000000, 0.0004759100000000 ] - [ 0.0015594800000000, -0.0045038100000000, 0.0002098000000000 ] - [ -0.0020495700000000, -0.0000177700000000, 0.0005485100000000 ] - [ 0.0006498500000000, 0.0007123200000000, -0.0013198000000000 ] - [ -0.0006540800000000, -0.0007212200000000, 0.0006667800000000 ] - [ 0.0057836100000000, -0.0007835900000000, -0.0020226800000000 ] - [ -0.0023861200000000, -0.0001995500000000, -0.0015256400000000 ] - [ 0.0004001800000000, 0.0007878100000000, 0.0008489300000000 ] - [ -0.0003117300000000, -0.0000546800000000, 0.0007910300000000 ] - [ 0.0010385400000000, 0.0053011800000000, 0.0024132000000000 ] - [ -0.0012367300000000, -0.0004264000000000, -0.0003671600000000 ] - [ -0.0002525600000000, -0.0027897200000000, 0.0060728600000000 ] - [ -0.0021898700000000, 0.0017547900000000, -0.0030958900000000 ] - [ 0.0048775900000000, 0.0008559000000000, -0.0012235900000000 ] - [ -0.0023738100000000, -0.0006586000000000, 0.0002773700000000 ] - [ 0.0004790500000000, 0.0000609100000000, 0.0000801900000000 ] - [ -0.0001802400000000, 0.0002530200000000, 0.0001207800000000 ] - [ 0.0002119600000000, 0.0002119900000000, -0.0002755600000000 ] - [ -0.0005291500000000, 0.0002381000000000, 0.0000442200000000 ] - [ -0.0022141400000000, 0.0021980500000000, 0.0000056200000000 ] - [ -0.0032781600000000, -0.0029337500000000, -0.0005331000000000 ] - [ 0.0006457900000000, 0.0002881100000000, 0.0003377200000000 ] - [ -0.0002864300000000, 0.0000965500000000, -0.0000522700000000 ] - [ 0.0002949200000000, 0.0001583800000000, 0.0003799200000000 ] - [ -0.0000325800000000, -0.0001900800000000, 0.0000039300000000 ] - [ 0.0036395300000000, 0.0019473500000000, 0.0026218400000000 ] - [ -0.0022482900000000, -0.0002304400000000, 0.0006197900000000 ] - [ 0.0000667600000000, 0.0015084300000000, -0.0003253800000000 ] - [ -0.0005742800000000, 0.0007520100000000, -0.0004747500000000 ] - [ 0.0006757000000000, -0.0006830100000000, -0.0002018700000000 ] - [ -0.0004795400000000, -0.0004469500000000, -0.0002146900000000 ] - [ 0.0002198700000000, -0.0001808400000000, 0.0049992200000000 ] - [ -0.0007901400000000, 0.0001458300000000, -0.0004446700000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.1250566200000000, -0.1184249500000000, -0.1115089700000000 ] - [ -0.0016339500000000, 0.0001679800000000, 0.0001730600000000 ] - [ -0.0000457400000000, -0.0006600700000000, -0.0000694000000000 ] - [ -0.0000485200000000, 0.0004161700000000, -0.0002754900000000 ] - [ 0.0002110800000000, 0.0002859000000000, -0.0001014000000000 ] - [ -0.0003092800000000, -0.0000946100000000, -0.0000246700000000 ] - [ 0.0000622800000000, -0.0005482200000000, 0.0005445700000000 ] - [ -0.0002920900000000, 0.0002313100000000, -0.0000681600000000 ] - [ -0.0112480200000000, 0.0145117500000000, 0.0250221600000000 ] - [ -0.0034589200000000, -0.0009854800000000, -0.0002220100000000 ] - [ 0.0001669000000000, -0.0006213400000000, 0.0005920900000000 ] - [ -0.0010662500000000, 0.0003818100000000, -0.0001196500000000 ] - [ 0.0007147300000000, 0.0002095300000000, 0.0000556300000000 ] - [ 0.0001940500000000, -0.0000182700000000, 0.0002821200000000 ] - [ 0.0010176300000000, 0.0001369000000000, -0.0001613300000000 ] - [ 0.0001168200000000, 0.0000600700000000, -0.0001230200000000 ] - [ -0.0002821000000000, -0.0008778700000000, -0.0007279900000000 ] - [ -0.0016204900000000, 0.0004451500000000, -0.0002770100000000 ] - [ 0.0001806000000000, 0.0001583900000000, 0.0004848900000000 ] - [ -0.0011721900000000, -0.0001011500000000, 0.0008445300000000 ] - [ 0.0024389500000000, -0.0015185200000000, 0.0008866100000000 ] - [ -0.0008588000000000, 0.0005691600000000, 0.0000884700000000 ] - [ 0.0009985900000000, 0.0000687200000000, -0.0003967900000000 ] - [ 0.0001400700000000, 0.0001093900000000, -0.0004193600000000 ] - [ 0.0019139700000000, -0.0006710800000000, -0.0006125500000000 ] - [ -0.0011501100000000, -0.0001924200000000, 0.0003706100000000 ] - [ -0.0002294900000000, -0.0002560600000000, 0.0001925200000000 ] - [ -0.0004230700000000, 0.0003616000000000, -0.0000085800000000 ] - [ 0.0034911000000000, 0.0034071400000000, -0.0012900800000000 ] - [ -0.0008879600000000, -0.0003194000000000, -0.0002074800000000 ] - [ 0.0003599600000000, 0.0001082200000000, 0.0001381300000000 ] - [ 0.0003122000000000, 0.0002996900000000, 0.0003595600000000 ] - [ -0.0001741600000000, 0.0012657900000000, 0.0000695500000000 ] - [ -0.0007105800000000, 0.0000919700000000, -0.0001968300000000 ] - [ 0.0007657900000000, 0.0001905600000000, 0.0026116100000000 ] - [ -0.0016285900000000, -0.0001292300000000, -0.0006752200000000 ] - [ 0.0019188600000000, 0.0011935500000000, -0.0034885100000000 ] - [ -0.0012333500000000, -0.0006761900000000, 0.0010549200000000 ] - [ 0.0005505000000000, -0.0001915100000000, -0.0001020300000000 ] - [ 0.0000346900000000, -0.0000302900000000, -0.0001041500000000 ] - [ 0.0000607800000000, -0.0002377800000000, 0.0002553900000000 ] - [ -0.0002101000000000, 0.0001782400000000, 0.0002483100000000 ] - [ 0.0005899900000000, 0.0008929900000000, -0.0002019500000000 ] - [ -0.0005396900000000, -0.0004472300000000, -0.0001720700000000 ] - [ -0.0003133300000000, -0.0025300400000000, 0.0014328100000000 ] - [ -0.0003518500000000, 0.0007928400000000, -0.0010032700000000 ] - [ 0.0055341900000000, 0.0097991100000000, 0.0035614900000000 ] - [ -0.0005469300000000, -0.0003802100000000, 0.0002954700000000 ] - [ -0.0004806300000000, 0.0002485000000000, 0.0001717400000000 ] - [ -0.0003089600000000, -0.0002621700000000, 0.0000675000000000 ] - [ 0.0004203800000000, 0.0002895400000000, -0.0003482200000000 ] - [ -0.0009564500000000, 0.0002414900000000, -0.0004723600000000 ] - [ 0.0004839700000000, 0.0001912600000000, -0.0003050500000000 ] - [ 0.0001356800000000, -0.0005921300000000, 0.0005692000000000 ] - [ 0.0055192800000000, -0.0105458300000000, -0.0136165000000000 ] - [ -0.0014614100000000, -0.0002322700000000, -0.0005564900000000 ] - [ -0.0005361200000000, 0.0010117800000000, -0.0003805600000000 ] - [ -0.0004816600000000, 0.0008451700000000, -0.0005522200000000 ] - [ 0.0015294600000000, -0.0011124200000000, 0.0007431100000000 ] - [ -0.0015230800000000, -0.0010953600000000, -0.0000198700000000 ] - [ 0.0007430600000000, 0.0013197300000000, -0.0004471400000000 ] - [ -0.0003840500000000, -0.0003677600000000, 0.0027877800000000 ] - [ 0.0018557900000000, -0.0015763100000000, 0.0013925400000000 ] - [ -0.0001114000000000, -0.0007035600000000, -0.0009374100000000 ] - [ -0.0001415300000000, 0.0004298400000000, -0.0002803000000000 ] - [ -0.0002582700000000, 0.0003923500000000, -0.0002622400000000 ] - [ 0.0014188400000000, -0.0009662500000000, -0.0001893900000000 ] - [ -0.0010570600000000, -0.0002231400000000, 0.0006000600000000 ] - [ -0.0021589600000000, -0.0001619300000000, 0.0061174100000000 ] - [ -0.0018902000000000, 0.0003172600000000, -0.0022111100000000 ] - [ 0.0009989400000000, 0.0012742700000000, -0.0006217600000000 ] - [ -0.0001724000000000, -0.0004563700000000, -0.0003577300000000 ] - [ -0.1236468200000000, 0.1057650900000000, 0.1029264400000000 ] - [ 0.0041119000000000, 0.0001964100000000, -0.0003810400000000 ] - [ -0.0005659800000000, 0.0033738500000000, -0.0016976900000000 ] - [ 0.0004009900000000, -0.0009227800000000, 0.0006836900000000 ] - [ -0.0002773800000000, -0.0011358900000000, -0.0003331000000000 ] - [ 0.0008716400000000, -0.0000592300000000, -0.0001262400000000 ] - [ -0.0005622500000000, 0.0007992400000000, 0.0000155700000000 ] - [ 0.0007635900000000, -0.0001247500000000, 0.0001705300000000 ] - [ -0.0015539800000000, 0.0039857100000000, 0.0013362900000000 ] - [ 0.0020422900000000, -0.0004070600000000, 0.0010682100000000 ] - [ -0.0006530900000000, -0.0002767800000000, -0.0002919700000000 ] - [ 0.0006471400000000, 0.0011576400000000, -0.0022868800000000 ] - [ -0.0057796700000000, 0.0003701000000000, 0.0004234800000000 ] - [ 0.0023873700000000, -0.0002351900000000, -0.0000879300000000 ] - [ -0.0003952200000000, -0.0003608100000000, 0.0007626700000000 ] - [ 0.0003181100000000, 0.0004829600000000, 0.0008206000000000 ] - [ -0.0013857500000000, -0.0055367100000000, -0.0023743400000000 ] - [ 0.0008983500000000, 0.0002829600000000, 0.0004334300000000 ] - [ -0.0000789000000000, 0.0029524500000000, -0.0061692400000000 ] - [ 0.0018542000000000, -0.0015952700000000, 0.0030268800000000 ] - [ -0.0045725000000000, -0.0010103500000000, 0.0011507600000000 ] - [ 0.0027066300000000, 0.0005045900000000, -0.0003383900000000 ] - [ -0.0001412100000000, 0.0000857100000000, -0.0000195000000000 ] - [ 0.0005143100000000, -0.0001059000000000, -0.0000613400000000 ] - [ -0.0005130400000000, 0.0001550900000000, 0.0003358900000000 ] - [ 0.0002294900000000, 0.0001313000000000, 0.0000119400000000 ] - [ 0.0017881600000000, -0.0025332900000000, -0.0001240900000000 ] - [ 0.0029744600000000, 0.0025577000000000, 0.0004762200000000 ] - [ -0.0003445700000000, 0.0000785600000000, -0.0003980700000000 ] - [ 0.0005882000000000, 0.0002699600000000, -0.0000040900000000 ] - [ 0.0000112800000000, -0.0005280900000000, -0.0003275400000000 ] - [ 0.0003305700000000, -0.0001800000000000, 0.0000518700000000 ] - [ -0.0038901100000000, -0.0031346000000000, -0.0019169300000000 ] - [ 0.0020429700000000, -0.0009552400000000, 0.0000823800000000 ] - [ -0.0002818300000000, -0.0003328000000000, -0.0003729700000000 ] - [ 0.0003712600000000, 0.0004227700000000, -0.0002235300000000 ] - [ -0.0004668100000000, -0.0004978300000000, -0.0005091500000000 ] - [ 0.0006892600000000, -0.0007317500000000, -0.0004884800000000 ] - [ -0.0000043000000000, 0.0013630200000000, -0.0042886400000000 ] - [ 0.0009932600000000, 0.0010415400000000, 0.0011467600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.1166091200000000, -0.2758542100000000, -0.2033102000000000 ] - [ -0.0001490200000000, -0.0004910800000000, -0.0003040100000000 ] - [ 0.0004371400000000, 0.0002060800000000, -0.0002280300000000 ] - [ -0.0006347100000000, 0.0002065100000000, -0.0007671000000000 ] - [ 0.0002636000000000, 0.0013929900000000, -0.0003573300000000 ] - [ -0.0001145600000000, 0.0001676000000000, -0.0000398100000000 ] - [ 0.0005316700000000, -0.0005570900000000, 0.0007971800000000 ] - [ -0.0002517900000000, -0.0000525700000000, 0.0001981900000000 ] - [ -0.0031789700000000, -0.0062268800000000, 0.0052514800000000 ] - [ -0.0011017000000000, -0.0007490300000000, -0.0004755200000000 ] - [ 0.0000974400000000, -0.0000757900000000, 0.0000036100000000 ] - [ -0.0008796000000000, -0.0000078200000000, -0.0000642800000000 ] - [ 0.0001408200000000, 0.0009874300000000, -0.0000333300000000 ] - [ 0.0000487900000000, 0.0004736800000000, 0.0001892700000000 ] - [ 0.0017405600000000, 0.0001409700000000, 0.0022745100000000 ] - [ 0.0003826100000000, 0.0000724000000000, -0.0000147700000000 ] - [ 0.0019506300000000, 0.0010926600000000, 0.0021073900000000 ] - [ -0.0012041100000000, -0.0001254400000000, -0.0003291600000000 ] - [ -0.0004720000000000, -0.0003606800000000, 0.0008305900000000 ] - [ -0.0006022300000000, -0.0002085700000000, 0.0006705600000000 ] - [ 0.0027438100000000, 0.0026301300000000, -0.0010535200000000 ] - [ -0.0001126200000000, 0.0003620300000000, 0.0001284600000000 ] - [ -0.0008117700000000, 0.0016895400000000, 0.0000955200000000 ] - [ 0.0009289200000000, 0.0003177500000000, -0.0004612700000000 ] - [ -0.0018389800000000, 0.0013721900000000, 0.0033714300000000 ] - [ -0.0005545400000000, -0.0002108500000000, 0.0003012400000000 ] - [ -0.0001605600000000, -0.0004476100000000, 0.0002164600000000 ] - [ -0.0003839000000000, -0.0001280300000000, 0.0001341400000000 ] - [ 0.0002021200000000, 0.0075420200000000, -0.0030856500000000 ] - [ 0.0000784600000000, 0.0001494000000000, -0.0004511000000000 ] - [ 0.0019269300000000, 0.0019513300000000, 0.0006835600000000 ] - [ -0.0001800900000000, 0.0003811400000000, 0.0002850300000000 ] - [ -0.0038623700000000, 0.0055239500000000, 0.0027735000000000 ] - [ -0.0001247900000000, 0.0003589000000000, -0.0004284800000000 ] - [ -0.0013860700000000, -0.0020009200000000, 0.0015515500000000 ] - [ -0.0001826000000000, -0.0006564200000000, 0.0004688000000000 ] - [ 0.0002262500000000, -0.0002357300000000, -0.0022043000000000 ] - [ -0.0001153300000000, -0.0003388000000000, 0.0002078600000000 ] - [ 0.0001506200000000, 0.0003439200000000, 0.0000570000000000 ] - [ 0.0001956900000000, 0.0001079700000000, 0.0000188200000000 ] - [ 0.0001268600000000, 0.0008846600000000, 0.0004917200000000 ] - [ -0.0001826200000000, 0.0004330500000000, 0.0003893600000000 ] - [ -0.0004265400000000, 0.0014312300000000, -0.0008080500000000 ] - [ -0.0002662900000000, 0.0002432100000000, -0.0001332500000000 ] - [ 0.0006205100000000, -0.0019304600000000, -0.0010191500000000 ] - [ -0.0002140700000000, -0.0013385100000000, -0.0006115900000000 ] - [ -0.0095582100000000, 0.0436160000000000, 0.0134860400000000 ] - [ -0.0000281400000000, -0.0004209800000000, 0.0001748400000000 ] - [ -0.0007800100000000, 0.0000675700000000, 0.0004496800000000 ] - [ 0.0000068500000000, 0.0001327900000000, 0.0002672300000000 ] - [ -0.0005834600000000, 0.0026839700000000, -0.0026250700000000 ] - [ -0.0007729300000000, 0.0004975600000000, -0.0005674500000000 ] - [ 0.0003293700000000, -0.0004254300000000, -0.0003502100000000 ] - [ 0.0007369100000000, -0.0005050600000000, -0.0003545200000000 ] - [ 0.0016786100000000, 0.0110332100000000, 0.0194852900000000 ] - [ -0.0003230100000000, -0.0003785000000000, -0.0004680500000000 ] - [ -0.0008767100000000, 0.0014912400000000, 0.0002225600000000 ] - [ -0.0005548300000000, 0.0015250400000000, 0.0001936600000000 ] - [ -0.0009158500000000, -0.0001274900000000, -0.0041840100000000 ] - [ -0.0008490900000000, -0.0009576200000000, 0.0001548700000000 ] - [ 0.0004986400000000, -0.0000002700000000, 0.0010427800000000 ] - [ -0.0001298200000000, -0.0004077000000000, 0.0017081800000000 ] - [ 0.0020553400000000, 0.0018913500000000, 0.0026446600000000 ] - [ 0.0001821800000000, -0.0008546100000000, -0.0007677700000000 ] - [ -0.0002016800000000, 0.0008701400000000, 0.0001657300000000 ] - [ -0.0000319400000000, 0.0008131000000000, 0.0001279000000000 ] - [ 0.0004055900000000, -0.0017403200000000, -0.0003446700000000 ] - [ -0.0002669300000000, -0.0004908900000000, 0.0003741600000000 ] - [ -0.0014959100000000, -0.0009587400000000, 0.0032059800000000 ] - [ 0.0020318200000000, -0.0012053400000000, 0.0005721100000000 ] - [ 0.0019362500000000, 0.0052548100000000, -0.0019051700000000 ] - [ 0.0002676600000000, -0.0001712900000000, -0.0005775200000000 ] - [ -0.1074582900000000, 0.2257094200000000, 0.1649629700000000 ] - [ 0.0008396200000000, 0.0007978200000000, 0.0007397400000000 ] - [ -0.0015034500000000, 0.0006625500000000, 0.0002456800000000 ] - [ 0.0006848400000000, 0.0008966100000000, 0.0007080700000000 ] - [ 0.0010850200000000, -0.0033962500000000, 0.0008286000000000 ] - [ 0.0007610200000000, -0.0008181900000000, -0.0002822800000000 ] - [ -0.0018391900000000, -0.0001836300000000, -0.0011393400000000 ] - [ 0.0006142200000000, 0.0000566500000000, -0.0003124000000000 ] - [ -0.0014570300000000, -0.0084228300000000, -0.0074106800000000 ] - [ 0.0010422000000000, 0.0000579500000000, 0.0011796700000000 ] - [ 0.0001092600000000, 0.0012795200000000, -0.0012774000000000 ] - [ -0.0000440700000000, 0.0014320300000000, -0.0014497300000000 ] - [ -0.0031692500000000, -0.0072583700000000, 0.0067881000000000 ] - [ 0.0008529700000000, -0.0005479400000000, 0.0001644200000000 ] - [ 0.0014067000000000, -0.0005732300000000, -0.0002688100000000 ] - [ -0.0013592500000000, -0.0005534800000000, -0.0001919700000000 ] - [ -0.0020101600000000, -0.0205288500000000, -0.0070749700000000 ] - [ -0.0001837800000000, -0.0000060600000000, 0.0006634000000000 ] - [ 0.0008067700000000, 0.0054064900000000, -0.0013797000000000 ] - [ -0.0004391800000000, 0.0029658600000000, -0.0006190900000000 ] - [ 0.0009282000000000, 0.0011858600000000, 0.0038160100000000 ] - [ 0.0007658200000000, 0.0000009000000000, 0.0001733000000000 ] - [ 0.0003822900000000, -0.0012806400000000, -0.0005224900000000 ] - [ 0.0003632400000000, -0.0007735900000000, -0.0005460700000000 ] - [ -0.0000618500000000, -0.0008613400000000, 0.0011346500000000 ] - [ -0.0001010300000000, -0.0001132700000000, 0.0001060800000000 ] - [ 0.0028428200000000, -0.0000475000000000, 0.0009511100000000 ] - [ -0.0001602000000000, 0.0015627800000000, 0.0008891500000000 ] - [ 0.0002240800000000, 0.0005952000000000, -0.0005425100000000 ] - [ 0.0001803800000000, 0.0003522100000000, -0.0002051700000000 ] - [ 0.0007105500000000, -0.0010953400000000, -0.0010138700000000 ] - [ -0.0001725100000000, -0.0007698200000000, -0.0000863000000000 ] - [ 0.0012474600000000, 0.0068284100000000, 0.0051679300000000 ] - [ 0.0005078500000000, -0.0007746500000000, 0.0002639300000000 ] - [ -0.0002714400000000, -0.0023885200000000, -0.0002020500000000 ] - [ 0.0002869900000000, -0.0019119500000000, 0.0003083900000000 ] - [ -0.0000881000000000, -0.0010531800000000, -0.0015297700000000 ] - [ 0.0002945300000000, -0.0006869900000000, -0.0006700600000000 ] - [ 0.0009230300000000, 0.0024985500000000, -0.0019279400000000 ] - [ -0.0003125500000000, 0.0020580400000000, 0.0001128800000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.1225419000000000, 0.2826325800000000, 0.2123673100000000 ] - [ 0.0002652000000000, 0.0004160900000000, 0.0003760300000000 ] - [ -0.0003196200000000, -0.0001256700000000, 0.0001543900000000 ] - [ 0.0007597100000000, -0.0001250100000000, 0.0006961700000000 ] - [ -0.0003832000000000, -0.0014657300000000, 0.0002791300000000 ] - [ -0.0000032900000000, -0.0002426100000000, -0.0000355300000000 ] - [ -0.0006458000000000, 0.0006244400000000, -0.0007124100000000 ] - [ 0.0001315600000000, 0.0001269300000000, -0.0001199300000000 ] - [ 0.0019655000000000, 0.0063320600000000, -0.0054873200000000 ] - [ 0.0000356200000000, 0.0006506200000000, 0.0001004000000000 ] - [ -0.0011717000000000, 0.0001852800000000, 0.0003742500000000 ] - [ -0.0001909900000000, 0.0001173000000000, 0.0004422800000000 ] - [ 0.0009272200000000, -0.0010907500000000, 0.0004040100000000 ] - [ 0.0010267300000000, -0.0005805400000000, 0.0001828600000000 ] - [ -0.0006619500000000, -0.0000386200000000, -0.0026304000000000 ] - [ 0.0006859600000000, 0.0000316900000000, -0.0003605800000000 ] - [ -0.0029003700000000, -0.0012125800000000, -0.0029620300000000 ] - [ 0.0002501100000000, 0.0000077600000000, -0.0005246700000000 ] - [ -0.0004748100000000, 0.0004888000000000, 0.0000299400000000 ] - [ -0.0003472300000000, 0.0003356700000000, 0.0001882800000000 ] - [ -0.0017692400000000, -0.0027295800000000, 0.0018926800000000 ] - [ 0.0010583800000000, -0.0004941700000000, 0.0007260500000000 ] - [ 0.0017480000000000, -0.0015570400000000, -0.0009481600000000 ] - [ 0.0000255400000000, -0.0001925400000000, -0.0003953300000000 ] - [ 0.0012293000000000, -0.0015039400000000, -0.0028793900000000 ] - [ -0.0000676500000000, 0.0000670700000000, 0.0001887500000000 ] - [ -0.0004586700000000, 0.0005944500000000, -0.0007028100000000 ] - [ -0.0002340500000000, 0.0002782300000000, -0.0006170100000000 ] - [ 0.0003847600000000, -0.0075761700000000, 0.0025678800000000 ] - [ 0.0005396000000000, -0.0003002900000000, -0.0000383100000000 ] - [ -0.0012946600000000, -0.0017955700000000, -0.0001912300000000 ] - [ 0.0007913700000000, -0.0002346200000000, 0.0002039200000000 ] - [ 0.0033093100000000, -0.0053079200000000, -0.0030872100000000 ] - [ -0.0004744900000000, -0.0000969900000000, 0.0001629700000000 ] - [ 0.0007843700000000, 0.0017307700000000, -0.0012815500000000 ] - [ -0.0004164000000000, 0.0004010300000000, -0.0002074900000000 ] - [ 0.0003652300000000, 0.0004883800000000, 0.0024678700000000 ] - [ 0.0007011700000000, 0.0005884000000000, 0.0000637100000000 ] - [ 0.0004451700000000, -0.0005985300000000, -0.0003193000000000 ] - [ 0.0003982700000000, -0.0003633500000000, -0.0002825300000000 ] - [ -0.0002919300000000, -0.0010122100000000, -0.0000636500000000 ] - [ 0.0000142700000000, -0.0005617300000000, 0.0000382900000000 ] - [ 0.0002567800000000, -0.0013084300000000, 0.0003790400000000 ] - [ 0.0000981100000000, -0.0001218400000000, -0.0002920100000000 ] - [ -0.0004519700000000, 0.0018062700000000, 0.0005857600000000 ] - [ 0.0003801800000000, 0.0012195300000000, 0.0001823100000000 ] - [ 0.0100265100000000, -0.0444300100000000, -0.0132507200000000 ] - [ 0.0001944500000000, 0.0005587700000000, 0.0002483100000000 ] - [ 0.0000261400000000, -0.0001886000000000, -0.0003518000000000 ] - [ -0.0007531600000000, -0.0002540200000000, -0.0001706900000000 ] - [ -0.0001680400000000, -0.0025636400000000, 0.0025166400000000 ] - [ 0.0000248600000000, -0.0003815100000000, 0.0004770500000000 ] - [ 0.0004192300000000, 0.0003123500000000, 0.0002606300000000 ] - [ 0.0000116900000000, 0.0003899200000000, 0.0002622700000000 ] - [ -0.0009249800000000, -0.0108245200000000, -0.0195274600000000 ] - [ 0.0010683700000000, 0.0005020800000000, 0.0005616000000000 ] - [ -0.0001114800000000, 0.0002624500000000, -0.0012568100000000 ] - [ -0.0004289100000000, 0.0002275100000000, -0.0012288600000000 ] - [ -0.0000678400000000, -0.0016344200000000, 0.0051806900000000 ] - [ -0.0001386200000000, -0.0007951100000000, 0.0008840500000000 ] - [ 0.0004870000000000, 0.0017525700000000, -0.0000055800000000 ] - [ 0.0011106200000000, 0.0021560500000000, -0.0006644700000000 ] - [ -0.0010985800000000, -0.0036264100000000, -0.0037393900000000 ] - [ 0.0007986000000000, -0.0008893100000000, -0.0002782300000000 ] - [ -0.0002143000000000, -0.0001122500000000, -0.0007921000000000 ] - [ -0.0003856300000000, -0.0000565700000000, -0.0007557900000000 ] - [ -0.0008200400000000, 0.0009797100000000, 0.0009769700000000 ] - [ -0.0001540100000000, -0.0002636100000000, 0.0002590500000000 ] - [ 0.0018978100000000, 0.0017076200000000, -0.0025744100000000 ] - [ -0.0016220100000000, 0.0019512300000000, 0.0000404000000000 ] - [ -0.0015392300000000, -0.0060542400000000, 0.0012820900000000 ] - [ 0.0001515500000000, -0.0005778100000000, -0.0000559700000000 ] - [ 0.1129362700000000, -0.2330020500000000, -0.1734215800000000 ] - [ -0.0011582500000000, -0.0014283400000000, -0.0000813500000000 ] - [ 0.0011890400000000, -0.0000515200000000, -0.0008942900000000 ] - [ -0.0010071100000000, -0.0002896100000000, -0.0013619100000000 ] - [ -0.0007606600000000, 0.0027746900000000, -0.0014644700000000 ] - [ -0.0004476900000000, 0.0001994800000000, -0.0003638400000000 ] - [ 0.0021434300000000, 0.0008139600000000, 0.0017761800000000 ] - [ -0.0002902600000000, 0.0005718900000000, 0.0009564100000000 ] - [ 0.0014415300000000, 0.0079321800000000, 0.0090164400000000 ] - [ -0.0010380500000000, -0.0005008200000000, 0.0004308800000000 ] - [ -0.0001176900000000, -0.0008531000000000, -0.0003387100000000 ] - [ 0.0000392200000000, -0.0009997400000000, -0.0001648400000000 ] - [ 0.0031667100000000, 0.0068128100000000, -0.0083284000000000 ] - [ -0.0008452100000000, 0.0001241500000000, -0.0017741400000000 ] - [ -0.0013841500000000, 0.0010044400000000, 0.0018692500000000 ] - [ 0.0013510200000000, 0.0009869800000000, 0.0017930000000000 ] - [ 0.0017105500000000, 0.0204556700000000, 0.0072294900000000 ] - [ -0.0001475000000000, -0.0001556400000000, -0.0005966600000000 ] - [ -0.0011355900000000, -0.0052345300000000, 0.0013268100000000 ] - [ 0.0001131300000000, -0.0028252600000000, 0.0005722600000000 ] - [ -0.0005876600000000, -0.0013183300000000, -0.0038824700000000 ] - [ -0.0004176900000000, -0.0001430800000000, -0.0002429300000000 ] - [ -0.0000486000000000, 0.0014288700000000, 0.0005796900000000 ] - [ -0.0000248000000000, 0.0009237000000000, 0.0006040300000000 ] - [ -0.0002400100000000, 0.0012282900000000, -0.0010872500000000 ] - [ -0.0001982500000000, 0.0004813500000000, -0.0000496700000000 ] - [ -0.0031451300000000, -0.0003059600000000, -0.0009975500000000 ] - [ -0.0001237300000000, -0.0019011000000000, -0.0009376500000000 ] - [ 0.0000783200000000, -0.0002250400000000, 0.0004814600000000 ] - [ 0.0001216000000000, 0.0000162400000000, 0.0001481200000000 ] - [ -0.0004117000000000, 0.0007237800000000, 0.0010774100000000 ] - [ 0.0004754500000000, 0.0004002500000000, 0.0001430200000000 ] - [ -0.0013833200000000, -0.0077311000000000, -0.0041198900000000 ] - [ -0.0007133100000000, -0.0003991900000000, 0.0004425800000000 ] - [ 0.0000784000000000, 0.0035674500000000, -0.0004971800000000 ] - [ -0.0005103600000000, 0.0030952400000000, -0.0010097800000000 ] - [ 0.0002967700000000, -0.0001317100000000, 0.0008233700000000 ] - [ -0.0000849000000000, -0.0004966600000000, -0.0000355700000000 ] - [ -0.0007091200000000, -0.0013079400000000, 0.0025836200000000 ] - [ 0.0005217900000000, -0.0008758300000000, 0.0005832200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.1104519400000000, -0.2038267000000000, -0.2403016700000000 ] - [ -0.0000748800000000, -0.0003786300000000, -0.0007521900000000 ] - [ -0.0001739600000000, -0.0006941900000000, -0.0004303000000000 ] - [ 0.0000282400000000, -0.0001532600000000, -0.0004318600000000 ] - [ 0.0000046800000000, 0.0002795800000000, 0.0001822500000000 ] - [ -0.0000736500000000, -0.0000363500000000, 0.0001441000000000 ] - [ 0.0004488700000000, -0.0007181400000000, 0.0013183400000000 ] - [ -0.0001679500000000, -0.0001201200000000, 0.0007974200000000 ] - [ -0.0154618200000000, 0.0114652600000000, 0.0052842200000000 ] - [ -0.0003993900000000, -0.0002689500000000, -0.0007536400000000 ] - [ -0.0003499900000000, -0.0007432600000000, 0.0007789400000000 ] - [ -0.0004021600000000, -0.0001607800000000, 0.0003434800000000 ] - [ 0.0006820800000000, 0.0001109700000000, -0.0000776400000000 ] - [ 0.0003832200000000, 0.0000242200000000, 0.0001069500000000 ] - [ 0.0017242600000000, 0.0002170900000000, 0.0022634600000000 ] - [ 0.0004400700000000, 0.0000772300000000, 0.0001686700000000 ] - [ 0.0020197400000000, 0.0022240500000000, 0.0025389700000000 ] - [ -0.0013110500000000, 0.0003588300000000, -0.0001543900000000 ] - [ -0.0005044600000000, -0.0002634900000000, 0.0015417000000000 ] - [ -0.0008462100000000, -0.0000906600000000, 0.0011867000000000 ] - [ 0.0006643100000000, -0.0000168000000000, -0.0014464600000000 ] - [ 0.0002548000000000, -0.0000396200000000, -0.0000127900000000 ] - [ -0.0010979900000000, 0.0014530200000000, -0.0000377400000000 ] - [ 0.0010471100000000, 0.0002092300000000, -0.0004674100000000 ] - [ -0.0019648100000000, 0.0025948000000000, 0.0037310800000000 ] - [ -0.0005182700000000, -0.0000027600000000, 0.0004275900000000 ] - [ -0.0001685600000000, -0.0003862500000000, 0.0008997000000000 ] - [ -0.0001122000000000, -0.0000305000000000, 0.0008620700000000 ] - [ 0.0005158600000000, 0.0005176700000000, -0.0030248700000000 ] - [ 0.0002848300000000, -0.0000941100000000, -0.0006858200000000 ] - [ 0.0022540400000000, 0.0017692100000000, 0.0006717700000000 ] - [ -0.0002682300000000, 0.0002444000000000, 0.0001277400000000 ] - [ -0.0005000500000000, 0.0007490100000000, -0.0009999300000000 ] - [ -0.0001303900000000, 0.0002731700000000, -0.0006603000000000 ] - [ -0.0040379700000000, -0.0002748800000000, 0.0045087500000000 ] - [ 0.0003392400000000, -0.0003409100000000, 0.0006956700000000 ] - [ 0.0006759800000000, -0.0004180200000000, 0.0008111800000000 ] - [ -0.0007480300000000, -0.0005335400000000, 0.0007702700000000 ] - [ 0.0003199400000000, 0.0001501200000000, 0.0004505600000000 ] - [ 0.0002957600000000, -0.0000085700000000, 0.0002726700000000 ] - [ 0.0001408000000000, 0.0005773400000000, 0.0007601200000000 ] - [ -0.0001456400000000, 0.0002739400000000, 0.0006499400000000 ] - [ 0.0001023900000000, -0.0007560600000000, 0.0002337900000000 ] - [ -0.0003077700000000, -0.0002715900000000, -0.0000225300000000 ] - [ -0.0011489100000000, -0.0025572500000000, 0.0005817100000000 ] - [ 0.0004096600000000, -0.0011234900000000, -0.0002100600000000 ] - [ 0.0007529000000000, -0.0026820600000000, -0.0057174100000000 ] - [ 0.0000203000000000, 0.0001319900000000, -0.0002192200000000 ] - [ -0.0009845700000000, 0.0000587700000000, 0.0007362100000000 ] - [ -0.0000795000000000, -0.0000056300000000, 0.0005887300000000 ] - [ -0.0003329200000000, 0.0000261400000000, -0.0009914700000000 ] - [ -0.0004842700000000, 0.0001667800000000, -0.0002927600000000 ] - [ 0.0005275800000000, -0.0002878500000000, 0.0002965400000000 ] - [ 0.0000795300000000, -0.0004070100000000, 0.0007528800000000 ] - [ 0.0029965500000000, 0.0277766900000000, 0.0251605900000000 ] - [ -0.0002897500000000, 0.0000015700000000, -0.0004038100000000 ] - [ -0.0010041300000000, 0.0013788000000000, 0.0004242300000000 ] - [ -0.0005770700000000, 0.0014037600000000, 0.0003792400000000 ] - [ -0.0000786700000000, -0.0040689800000000, 0.0014861100000000 ] - [ -0.0007905900000000, -0.0011090500000000, 0.0002157400000000 ] - [ 0.0009973000000000, 0.0000815600000000, 0.0015888700000000 ] - [ -0.0011810900000000, -0.0001612100000000, 0.0022274400000000 ] - [ -0.0009636400000000, 0.0030682200000000, -0.0030986900000000 ] - [ 0.0001334600000000, -0.0005671500000000, -0.0010693600000000 ] - [ -0.0001396800000000, 0.0008539700000000, 0.0005110300000000 ] - [ 0.0000143700000000, 0.0007770700000000, 0.0004854200000000 ] - [ 0.0000610600000000, -0.0008570300000000, 0.0016080300000000 ] - [ -0.0004586000000000, -0.0003840600000000, 0.0008220800000000 ] - [ -0.0024551800000000, 0.0008281800000000, 0.0002392600000000 ] - [ 0.0034047100000000, -0.0000854600000000, 0.0000594200000000 ] - [ 0.0005024500000000, 0.0006701100000000, -0.0018611400000000 ] - [ 0.0003272400000000, -0.0001114200000000, -0.0009097600000000 ] - [ -0.1049294600000000, 0.1674363400000000, 0.2080383400000000 ] - [ 0.0003059000000000, -0.0000174400000000, 0.0017738300000000 ] - [ 0.0003139000000000, 0.0034105100000000, -0.0013785200000000 ] - [ -0.0004522400000000, 0.0013171600000000, -0.0003526100000000 ] - [ 0.0000733400000000, -0.0003228300000000, 0.0000268200000000 ] - [ 0.0003875400000000, -0.0002669100000000, -0.0003427800000000 ] - [ -0.0017127100000000, 0.0000784200000000, -0.0019230600000000 ] - [ 0.0006316700000000, 0.0002205100000000, -0.0010499000000000 ] - [ -0.0006626200000000, -0.0146057000000000, -0.0067566800000000 ] - [ 0.0011944100000000, -0.0006885000000000, 0.0010887100000000 ] - [ -0.0002656500000000, 0.0012723900000000, -0.0032266000000000 ] - [ 0.0002961700000000, 0.0012399000000000, -0.0031513000000000 ] - [ -0.0004175700000000, 0.0019449100000000, 0.0046880600000000 ] - [ 0.0002298900000000, -0.0000488300000000, 0.0000570000000000 ] - [ 0.0015675500000000, -0.0003884800000000, -0.0002460200000000 ] - [ -0.0015367800000000, -0.0002922800000000, -0.0004348100000000 ] - [ 0.0010609800000000, -0.0033574900000000, 0.0027332400000000 ] - [ -0.0001704500000000, -0.0003469100000000, 0.0011060200000000 ] - [ 0.0074565400000000, 0.0015894200000000, -0.0020505000000000 ] - [ -0.0022632100000000, 0.0018209700000000, -0.0013277800000000 ] - [ -0.0011156000000000, 0.0012676400000000, -0.0025674900000000 ] - [ 0.0014841600000000, 0.0003304000000000, -0.0006170000000000 ] - [ 0.0001577600000000, -0.0008580600000000, -0.0011273400000000 ] - [ 0.0002899100000000, -0.0005423200000000, -0.0011617600000000 ] - [ -0.0002392100000000, -0.0001171600000000, 0.0003723400000000 ] - [ -0.0000468800000000, 0.0001139000000000, 0.0001525400000000 ] - [ 0.0021323200000000, -0.0003723400000000, 0.0025920200000000 ] - [ 0.0011782900000000, 0.0017517200000000, 0.0020162200000000 ] - [ 0.0000231300000000, 0.0001930400000000, -0.0018707000000000 ] - [ 0.0001585900000000, 0.0001889800000000, -0.0005537700000000 ] - [ 0.0006322100000000, -0.0009197900000000, -0.0003287100000000 ] - [ -0.0002829100000000, -0.0006519700000000, -0.0001442000000000 ] - [ 0.0009678100000000, 0.0029454600000000, 0.0069519900000000 ] - [ 0.0003587600000000, -0.0009080300000000, 0.0009339500000000 ] - [ -0.0001939300000000, -0.0000396100000000, 0.0008988900000000 ] - [ -0.0000638900000000, 0.0000239900000000, 0.0007567700000000 ] - [ -0.0000756000000000, -0.0007727000000000, -0.0026250600000000 ] - [ 0.0002250500000000, -0.0005759000000000, -0.0012481700000000 ] - [ 0.0017089700000000, 0.0019090800000000, -0.0043935900000000 ] - [ -0.0009774500000000, 0.0012815400000000, -0.0009668300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.1151617700000000, 0.2118229400000000, 0.2447457800000000 ] - [ 0.0001935500000000, 0.0003013800000000, 0.0008257800000000 ] - [ 0.0002945400000000, 0.0007683300000000, 0.0003499700000000 ] - [ 0.0000872900000000, 0.0002285400000000, 0.0003484200000000 ] - [ -0.0001229200000000, -0.0003572100000000, -0.0002546100000000 ] - [ -0.0000465400000000, -0.0000411500000000, -0.0002179700000000 ] - [ -0.0005636000000000, 0.0007910300000000, -0.0012361300000000 ] - [ 0.0000464500000000, 0.0001976000000000, -0.0007192500000000 ] - [ 0.0146450700000000, -0.0117093800000000, -0.0056113600000000 ] - [ -0.0006698000000000, 0.0001649100000000, 0.0003790200000000 ] - [ -0.0007193900000000, 0.0008462200000000, -0.0004047300000000 ] - [ -0.0006707800000000, 0.0002659300000000, 0.0000310200000000 ] - [ 0.0003901300000000, -0.0002169200000000, 0.0004546500000000 ] - [ 0.0006837100000000, -0.0001286700000000, 0.0002706500000000 ] - [ -0.0006449200000000, -0.0001105700000000, -0.0026233300000000 ] - [ 0.0006295200000000, 0.0000283000000000, -0.0005443000000000 ] - [ -0.0029868400000000, -0.0023742400000000, -0.0034173900000000 ] - [ 0.0003609100000000, -0.0004849300000000, -0.0007000500000000 ] - [ -0.0004409100000000, 0.0003873500000000, -0.0006825800000000 ] - [ -0.0001032000000000, 0.0002153400000000, -0.0003285400000000 ] - [ 0.0002844300000000, -0.0001200600000000, 0.0023007100000000 ] - [ 0.0006933400000000, -0.0000880700000000, 0.0008684200000000 ] - [ 0.0020334700000000, -0.0013159700000000, -0.0008177900000000 ] - [ -0.0000955300000000, -0.0000828400000000, -0.0003913800000000 ] - [ 0.0013683900000000, -0.0027579300000000, -0.0032568900000000 ] - [ -0.0001051400000000, -0.0001434400000000, 0.0000631000000000 ] - [ -0.0004542300000000, 0.0005301000000000, -0.0013877000000000 ] - [ -0.0005055900000000, 0.0001757700000000, -0.0013470600000000 ] - [ 0.0001119900000000, -0.0006592200000000, 0.0025199100000000 ] - [ 0.0003331700000000, -0.0000520800000000, 0.0001967300000000 ] - [ -0.0016226100000000, -0.0016103100000000, -0.0001839200000000 ] - [ 0.0008825600000000, -0.0000975400000000, 0.0003587200000000 ] - [ -0.0001113100000000, -0.0004582400000000, 0.0007634700000000 ] - [ -0.0004647800000000, -0.0000158300000000, 0.0003994200000000 ] - [ 0.0034080700000000, 0.0000165900000000, -0.0041861500000000 ] - [ -0.0009323200000000, 0.0000822400000000, -0.0004332000000000 ] - [ -0.0000832400000000, 0.0006770800000000, -0.0005435900000000 ] - [ 0.0013385300000000, 0.0007889700000000, -0.0005031100000000 ] - [ 0.0002747400000000, -0.0004061400000000, -0.0007128700000000 ] - [ 0.0002974900000000, -0.0002481900000000, -0.0005351700000000 ] - [ -0.0003054000000000, -0.0007014700000000, -0.0003306300000000 ] - [ -0.0000216200000000, -0.0004014500000000, -0.0002214100000000 ] - [ -0.0002684700000000, 0.0008852400000000, -0.0006585400000000 ] - [ 0.0001404600000000, 0.0004001000000000, -0.0004024300000000 ] - [ 0.0013080400000000, 0.0024112700000000, -0.0010110600000000 ] - [ -0.0002438100000000, 0.0009889200000000, -0.0002207000000000 ] - [ -0.0006358800000000, 0.0031508600000000, 0.0062603600000000 ] - [ 0.0001455800000000, -0.0000027100000000, 0.0006446500000000 ] - [ 0.0002317200000000, -0.0001746800000000, -0.0006414600000000 ] - [ -0.0006665900000000, -0.0001095100000000, -0.0004959700000000 ] - [ -0.0004126900000000, 0.0000928300000000, 0.0009003400000000 ] - [ -0.0002659800000000, -0.0000510900000000, 0.0002021200000000 ] - [ 0.0002234700000000, 0.0001668600000000, -0.0003928400000000 ] - [ 0.0006709500000000, 0.0002873900000000, -0.0008468400000000 ] - [ -0.0023557700000000, -0.0281667900000000, -0.0255416000000000 ] - [ 0.0010387200000000, 0.0001156700000000, 0.0004971800000000 ] - [ 0.0000177700000000, 0.0003736100000000, -0.0014602500000000 ] - [ -0.0004065600000000, 0.0003482300000000, -0.0014164100000000 ] - [ -0.0008945900000000, 0.0023406400000000, -0.0004584200000000 ] - [ -0.0001939600000000, -0.0006399900000000, 0.0008266100000000 ] - [ -0.0000085200000000, 0.0016643700000000, -0.0005472700000000 ] - [ 0.0021550900000000, 0.0019061300000000, -0.0011840500000000 ] - [ 0.0019747700000000, -0.0048488500000000, 0.0021078900000000 ] - [ 0.0008477300000000, -0.0011827000000000, 0.0000279800000000 ] - [ -0.0002756500000000, -0.0000978700000000, -0.0011384000000000 ] - [ -0.0004312000000000, -0.0000228400000000, -0.0011142500000000 ] - [ -0.0004776200000000, 0.0001060600000000, -0.0009746900000000 ] - [ 0.0000401700000000, -0.0003696900000000, -0.0001890100000000 ] - [ 0.0028432500000000, -0.0000703100000000, 0.0003895900000000 ] - [ -0.0029744700000000, 0.0008381800000000, 0.0005617900000000 ] - [ -0.0000740400000000, -0.0013907900000000, 0.0012278900000000 ] - [ 0.0000874300000000, -0.0006427000000000, 0.0002775900000000 ] - [ 0.1093334600000000, -0.1761123000000000, -0.2116647800000000 ] - [ -0.0006259600000000, -0.0006085400000000, -0.0011211300000000 ] - [ -0.0006370200000000, -0.0027777500000000, 0.0007338200000000 ] - [ 0.0001356300000000, -0.0006867600000000, -0.0002869000000000 ] - [ 0.0002436100000000, -0.0003024700000000, -0.0006799600000000 ] - [ -0.0000649900000000, -0.0003578700000000, -0.0003106400000000 ] - [ 0.0020159400000000, 0.0005431400000000, 0.0025605200000000 ] - [ -0.0003083200000000, 0.0004030700000000, 0.0016950900000000 ] - [ 0.0006231600000000, 0.0142365300000000, 0.0083667200000000 ] - [ -0.0011949400000000, 0.0002562200000000, 0.0005213600000000 ] - [ 0.0002547700000000, -0.0008333400000000, 0.0016089100000000 ] - [ -0.0002976900000000, -0.0008024700000000, 0.0015359900000000 ] - [ 0.0004067500000000, -0.0023491400000000, -0.0063072900000000 ] - [ -0.0002240400000000, -0.0003821700000000, -0.0016718000000000 ] - [ -0.0015499100000000, 0.0008161400000000, 0.0018551100000000 ] - [ 0.0015331800000000, 0.0007190400000000, 0.0020449600000000 ] - [ -0.0014326000000000, 0.0030718700000000, -0.0027558500000000 ] - [ -0.0001635700000000, 0.0001949800000000, -0.0010416200000000 ] - [ -0.0077525000000000, -0.0014221000000000, 0.0019920700000000 ] - [ 0.0019181000000000, -0.0016632400000000, 0.0012709200000000 ] - [ 0.0014520300000000, -0.0014274500000000, 0.0024977100000000 ] - [ -0.0011433600000000, -0.0004817800000000, 0.0005491000000000 ] - [ 0.0001777500000000, 0.0010033000000000, 0.0011864400000000 ] - [ 0.0000482800000000, 0.0006915800000000, 0.0012217800000000 ] - [ -0.0000622100000000, 0.0004795500000000, -0.0003085300000000 ] - [ -0.0002532200000000, 0.0002535100000000, -0.0000952600000000 ] - [ -0.0024339900000000, 0.0000107300000000, -0.0026247100000000 ] - [ -0.0014699000000000, -0.0021167600000000, -0.0020688100000000 ] - [ 0.0002788800000000, 0.0001732600000000, 0.0018057900000000 ] - [ 0.0001430200000000, 0.0001774000000000, 0.0004967400000000 ] - [ -0.0003305500000000, 0.0005520500000000, 0.0003770300000000 ] - [ 0.0005870000000000, 0.0002866200000000, 0.0001984700000000 ] - [ -0.0011032400000000, -0.0038080900000000, -0.0060362400000000 ] - [ -0.0005656500000000, -0.0002727900000000, -0.0002267300000000 ] - [ -0.0000198200000000, 0.0012151900000000, -0.0015969300000000 ] - [ -0.0001390700000000, 0.0011498200000000, -0.0014507400000000 ] - [ 0.0002834200000000, -0.0004047700000000, 0.0019236200000000 ] - [ -0.0000150200000000, -0.0006044500000000, 0.0005437400000000 ] - [ -0.0015032200000000, -0.0007279900000000, 0.0050816200000000 ] - [ 0.0011915800000000, -0.0001044300000000, 0.0016659000000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0108622200000000, -0.0025844900000000, -0.0148742500000000 ] - [ 0.0029782800000000, -0.0006054200000000, 0.0001772600000000 ] - [ 0.0005888400000000, 0.0003821100000000, -0.0001741300000000 ] - [ -0.0006424900000000, -0.0005967100000000, -0.0002257000000000 ] - [ -0.0002356400000000, 0.0003532700000000, 0.0001077800000000 ] - [ 0.0002808300000000, 0.0004503400000000, -0.0001888800000000 ] - [ -0.0005399300000000, 0.0012400800000000, -0.0011448600000000 ] - [ 0.0003612200000000, -0.0001126400000000, 0.0001335900000000 ] - [ -0.3905315800000000, -0.0700118300000000, 0.1681498700000000 ] - [ 0.0024293100000000, 0.0002026300000000, -0.0008748500000000 ] - [ -0.0003439100000000, 0.0002732300000000, -0.0000893000000000 ] - [ -0.0003456900000000, -0.0004733500000000, 0.0002603500000000 ] - [ 0.0006261800000000, 0.0001886800000000, 0.0003141400000000 ] - [ 0.0001992300000000, 0.0005158700000000, 0.0003153600000000 ] - [ -0.0003851700000000, 0.0001164300000000, -0.0008381000000000 ] - [ 0.0012384300000000, 0.0002446100000000, -0.0000645500000000 ] - [ 0.0016141600000000, 0.0027550500000000, 0.0041441500000000 ] - [ 0.0010423000000000, -0.0017055300000000, -0.0014900300000000 ] - [ -0.0016172500000000, -0.0004848500000000, 0.0002297500000000 ] - [ 0.0004056700000000, 0.0000010400000000, 0.0001237900000000 ] - [ -0.0027571400000000, 0.0017025000000000, 0.0002521100000000 ] - [ 0.0020225900000000, -0.0000353800000000, 0.0008697000000000 ] - [ 0.0008748000000000, 0.0000471600000000, -0.0006932300000000 ] - [ 0.0003067600000000, 0.0002887500000000, -0.0003618900000000 ] - [ -0.0043078500000000, 0.0013933700000000, 0.0043828900000000 ] - [ 0.0013678700000000, -0.0004041500000000, -0.0005398800000000 ] - [ 0.0001378800000000, -0.0000070700000000, -0.0001585200000000 ] - [ -0.0004057700000000, -0.0005199000000000, -0.0010118600000000 ] - [ -0.0010335600000000, -0.0012338100000000, 0.0001110500000000 ] - [ 0.0011302800000000, 0.0005336300000000, -0.0000407800000000 ] - [ -0.0004655700000000, 0.0001266300000000, 0.0000914600000000 ] - [ 0.0008189700000000, 0.0002141700000000, 0.0002344900000000 ] - [ -0.0039459700000000, 0.0014487000000000, 0.0012088300000000 ] - [ 0.0010222700000000, -0.0001923700000000, -0.0003271200000000 ] - [ 0.0000542400000000, -0.0003653300000000, -0.0010938100000000 ] - [ 0.0007900500000000, -0.0003056600000000, 0.0009171000000000 ] - [ 0.0001367400000000, -0.0006481900000000, 0.0012330700000000 ] - [ 0.0051568100000000, 0.0032548100000000, -0.0058618100000000 ] - [ -0.0002969900000000, 0.0001389700000000, -0.0002448000000000 ] - [ 0.0007899600000000, -0.0001918900000000, -0.0001137300000000 ] - [ -0.0004273400000000, 0.0005728000000000, 0.0000774200000000 ] - [ 0.0001881800000000, 0.0001055200000000, 0.0002175400000000 ] - [ -0.0002676700000000, -0.0001998400000000, 0.0000025400000000 ] - [ 0.0009896100000000, 0.0026525500000000, -0.0004925600000000 ] - [ 0.0005953200000000, 0.0004093500000000, -0.0009637400000000 ] - [ 0.0000878100000000, -0.0016416800000000, 0.0008112900000000 ] - [ 0.0013699800000000, 0.0122135600000000, -0.0046003100000000 ] - [ 0.0010243600000000, -0.0009810500000000, 0.0003558900000000 ] - [ 0.0000376200000000, 0.0000134800000000, -0.0002381000000000 ] - [ -0.0006068100000000, 0.0004791500000000, -0.0002422500000000 ] - [ -0.0011105300000000, 0.0002374200000000, -0.0004608400000000 ] - [ 0.0000203600000000, 0.0005564600000000, 0.0000705400000000 ] - [ -0.0000019500000000, -0.0007243800000000, -0.0001048000000000 ] - [ 0.0009346600000000, -0.0000667800000000, -0.0005968100000000 ] - [ 0.0296341500000000, 0.0192181000000000, 0.0095236200000000 ] - [ 0.0034494900000000, -0.0009975400000000, -0.0000820700000000 ] - [ -0.0002042700000000, 0.0009235600000000, -0.0006513300000000 ] - [ -0.0007515600000000, 0.0010660500000000, -0.0004696300000000 ] - [ -0.0013082200000000, -0.0024732300000000, 0.0007741600000000 ] - [ 0.0012089300000000, -0.0000369500000000, 0.0013520900000000 ] - [ -0.0004196600000000, -0.0001179000000000, 0.0019865700000000 ] - [ 0.0013033100000000, 0.0011196000000000, -0.0003189200000000 ] - [ -0.0007645500000000, 0.0038097000000000, -0.0004835500000000 ] - [ 0.0015351200000000, -0.0018978900000000, 0.0002019100000000 ] - [ -0.0005862800000000, 0.0003629200000000, -0.0003291800000000 ] - [ 0.0001976100000000, 0.0006408000000000, -0.0000822800000000 ] - [ -0.0014688300000000, -0.0003530700000000, 0.0012454900000000 ] - [ 0.0020563100000000, -0.0010420600000000, -0.0009719200000000 ] - [ 0.0013932000000000, 0.0002000100000000, -0.0006109100000000 ] - [ -0.0003173600000000, 0.0000823600000000, 0.0067178300000000 ] - [ -0.0000128100000000, 0.0027754200000000, -0.0009754700000000 ] - [ 0.0006413200000000, -0.0006446800000000, -0.0001042100000000 ] - [ 0.3399192100000000, 0.0517217000000000, -0.1492125200000000 ] - [ -0.0058362200000000, 0.0007926400000000, 0.0004387600000000 ] - [ -0.0011912800000000, -0.0008539300000000, 0.0006587700000000 ] - [ 0.0003184400000000, 0.0026438900000000, -0.0008252100000000 ] - [ 0.0004206200000000, -0.0008076800000000, -0.0004273100000000 ] - [ 0.0000693200000000, -0.0022133500000000, -0.0009221600000000 ] - [ 0.0017385100000000, -0.0009382200000000, 0.0012921700000000 ] - [ -0.0009769600000000, 0.0003071300000000, 0.0003052500000000 ] - [ 0.0033815800000000, -0.0190432300000000, -0.0160907200000000 ] - [ -0.0034087300000000, 0.0024490500000000, 0.0022782600000000 ] - [ 0.0013130200000000, 0.0012306400000000, -0.0005011300000000 ] - [ -0.0012986100000000, 0.0001339600000000, -0.0000725000000000 ] - [ 0.0047021300000000, 0.0010878200000000, 0.0002473500000000 ] - [ -0.0024681300000000, -0.0015723500000000, -0.0017119700000000 ] - [ -0.0007008500000000, 0.0001634100000000, 0.0011144200000000 ] - [ 0.0006023800000000, -0.0004816000000000, 0.0011272400000000 ] - [ 0.0057166000000000, -0.0122226500000000, -0.0035590500000000 ] - [ -0.0024923200000000, 0.0012456300000000, -0.0003574800000000 ] - [ -0.0020869600000000, 0.0000677100000000, 0.0020578300000000 ] - [ -0.0013002900000000, 0.0029372200000000, -0.0033904800000000 ] - [ 0.0013424800000000, 0.0011590000000000, -0.0018969800000000 ] - [ -0.0063495300000000, -0.0019883000000000, 0.0017549800000000 ] - [ 0.0010407900000000, -0.0003936900000000, 0.0002612800000000 ] - [ -0.0006813400000000, -0.0002916900000000, -0.0000377600000000 ] - [ 0.0003456200000000, -0.0000829800000000, 0.0007090900000000 ] - [ -0.0005514300000000, 0.0002185500000000, -0.0000386600000000 ] - [ -0.0029608500000000, 0.0012306700000000, -0.0004212300000000 ] - [ 0.0013282600000000, -0.0002449800000000, 0.0013207900000000 ] - [ 0.0005133400000000, 0.0002623400000000, 0.0001083300000000 ] - [ -0.0002564600000000, 0.0001446400000000, 0.0002387000000000 ] - [ 0.0013294800000000, -0.0001428200000000, -0.0001190900000000 ] - [ -0.0009074900000000, -0.0005601800000000, -0.0000181800000000 ] - [ 0.0029167000000000, 0.0020526300000000, 0.0026107700000000 ] - [ -0.0018083600000000, -0.0011369600000000, -0.0002788800000000 ] - [ -0.0014371400000000, 0.0000362400000000, -0.0002418800000000 ] - [ 0.0008121600000000, -0.0003590800000000, -0.0005726100000000 ] - [ 0.0006276300000000, -0.0008762500000000, -0.0015173500000000 ] - [ -0.0004386100000000, -0.0001497200000000, 0.0001744800000000 ] - [ 0.0035963700000000, 0.0013890900000000, 0.0025275000000000 ] - [ -0.0026838700000000, 0.0014305000000000, -0.0004155100000000 ]- atom: 9 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0108286900000000, 0.0025609500000000, 0.0152305400000000 ] - [ -0.0028511000000000, 0.0005318300000000, -0.0000960300000000 ] - [ -0.0004676900000000, -0.0003060000000000, 0.0000975200000000 ] - [ 0.0007604800000000, 0.0006726300000000, 0.0001464300000000 ] - [ 0.0001174700000000, -0.0004336400000000, -0.0001812300000000 ] - [ -0.0004014700000000, -0.0005275900000000, 0.0001144400000000 ] - [ 0.0004205600000000, -0.0011620400000000, 0.0012213600000000 ] - [ -0.0004805800000000, 0.0001916900000000, -0.0000590700000000 ] - [ 0.4080103400000000, 0.0740405400000000, -0.1802197400000000 ] - [ -0.0035022200000000, -0.0003061900000000, 0.0005004700000000 ] - [ -0.0007269400000000, -0.0001678800000000, 0.0004646200000000 ] - [ -0.0007286200000000, 0.0005797700000000, 0.0001144700000000 ] - [ 0.0004501600000000, -0.0002977100000000, 0.0000607700000000 ] - [ 0.0008701400000000, -0.0006210500000000, 0.0000624500000000 ] - [ 0.0014579300000000, -0.0000098400000000, 0.0004627900000000 ] - [ -0.0001660100000000, -0.0001382600000000, -0.0003119700000000 ] - [ -0.0025755300000000, -0.0029174500000000, -0.0050510400000000 ] - [ -0.0019893100000000, 0.0015743300000000, 0.0006260700000000 ] - [ 0.0006697700000000, 0.0006085100000000, 0.0006237900000000 ] - [ -0.0013520300000000, 0.0001243800000000, 0.0007312600000000 ] - [ 0.0037042100000000, -0.0018275100000000, 0.0006031200000000 ] - [ -0.0010805100000000, -0.0000890300000000, -0.0000122900000000 ] - [ 0.0000719500000000, 0.0000792100000000, -0.0001639700000000 ] - [ 0.0006389000000000, -0.0001632700000000, -0.0004958700000000 ] - [ 0.0037361400000000, -0.0015416100000000, -0.0039000900000000 ] - [ -0.0019900100000000, 0.0002571500000000, 0.0010278100000000 ] - [ -0.0007598000000000, 0.0001536400000000, -0.0003344100000000 ] - [ -0.0002135300000000, 0.0006662500000000, 0.0005242800000000 ] - [ 0.0016585300000000, 0.0010869300000000, -0.0006065400000000 ] - [ -0.0005287000000000, -0.0006931500000000, -0.0004435200000000 ] - [ 0.0010867100000000, 0.0000202500000000, 0.0003969000000000 ] - [ -0.0001980700000000, -0.0000683700000000, 0.0002549800000000 ] - [ 0.0033579500000000, -0.0011773800000000, -0.0014699700000000 ] - [ -0.0016176200000000, 0.0004469600000000, 0.0000675200000000 ] - [ -0.0006483300000000, 0.0001085300000000, 0.0013595500000000 ] - [ -0.0013839300000000, 0.0000488100000000, -0.0006558400000000 ] - [ 0.0004664400000000, 0.0009144300000000, -0.0009714200000000 ] - [ -0.0045576200000000, -0.0029834700000000, 0.0060982200000000 ] - [ 0.0008917200000000, -0.0003965900000000, -0.0000193200000000 ] - [ -0.0001958000000000, -0.0000655300000000, -0.0001502200000000 ] - [ 0.0002615000000000, -0.0007014100000000, 0.0003507500000000 ] - [ -0.0003539700000000, -0.0002349800000000, 0.0002103700000000 ] - [ 0.0001068700000000, 0.0003244700000000, -0.0004270600000000 ] - [ -0.0011523300000000, -0.0025146600000000, 0.0000646000000000 ] - [ -0.0004285700000000, -0.0005401000000000, 0.0005356900000000 ] - [ 0.0000763500000000, 0.0015130800000000, -0.0012410700000000 ] - [ -0.0011009200000000, -0.0120725500000000, 0.0050776600000000 ] - [ -0.0008587500000000, 0.0011062800000000, 0.0000733400000000 ] - [ -0.0007862300000000, -0.0001291300000000, 0.0003294200000000 ] - [ -0.0001422100000000, -0.0005945000000000, 0.0003331000000000 ] - [ 0.0003639300000000, -0.0001293800000000, 0.0003719700000000 ] - [ -0.0007709500000000, -0.0004423700000000, -0.0001566300000000 ] - [ 0.0007518100000000, 0.0006061000000000, 0.0000100600000000 ] - [ -0.0001842200000000, -0.0000504200000000, 0.0005028500000000 ] - [ -0.0297300200000000, -0.0194895700000000, -0.0096666900000000 ] - [ -0.0026908700000000, 0.0011100700000000, 0.0001716700000000 ] - [ -0.0007779200000000, 0.0008252600000000, -0.0003899500000000 ] - [ -0.0002319900000000, 0.0006820700000000, -0.0005717200000000 ] - [ 0.0003500600000000, 0.0007053100000000, 0.0002744000000000 ] - [ -0.0021917900000000, -0.0017076900000000, -0.0003055600000000 ] - [ 0.0014029300000000, 0.0018656000000000, -0.0009457100000000 ] - [ -0.0003206300000000, 0.0006302100000000, 0.0013587700000000 ] - [ 0.0017722600000000, -0.0056021600000000, -0.0005299300000000 ] - [ -0.0005524600000000, 0.0001457700000000, -0.0012421400000000 ] - [ 0.0001703700000000, 0.0003909100000000, -0.0003014100000000 ] - [ -0.0006137300000000, 0.0001114000000000, -0.0005508500000000 ] - [ 0.0010595600000000, -0.0003981700000000, -0.0006090300000000 ] - [ -0.0024676200000000, 0.0002862600000000, 0.0016005000000000 ] - [ -0.0009795600000000, 0.0005562800000000, 0.0012399300000000 ] - [ 0.0007247700000000, 0.0006785000000000, -0.0060787600000000 ] - [ 0.0004305500000000, -0.0035230000000000, 0.0003482000000000 ] - [ -0.0002280600000000, -0.0001122800000000, -0.0005252500000000 ] - [ -0.3581411500000000, -0.0564939000000000, 0.1612859200000000 ] - [ 0.0055144400000000, -0.0014177300000000, 0.0002055100000000 ] - [ 0.0008691600000000, 0.0014810300000000, -0.0013078100000000 ] - [ -0.0006338400000000, -0.0020177700000000, 0.0001803400000000 ] - [ -0.0001090300000000, 0.0001922400000000, -0.0002245400000000 ] - [ 0.0002520800000000, 0.0015872700000000, 0.0002663100000000 ] - [ -0.0014193200000000, 0.0015610100000000, -0.0006413500000000 ] - [ 0.0012960700000000, 0.0003171300000000, 0.0003456400000000 ] - [ -0.0034924100000000, 0.0188020900000000, 0.0178515200000000 ] - [ 0.0034019300000000, -0.0028716000000000, -0.0006591800000000 ] - [ -0.0013233900000000, -0.0007975900000000, -0.0011067300000000 ] - [ 0.0012938700000000, 0.0002977700000000, -0.0015365300000000 ] - [ -0.0047031400000000, -0.0014956200000000, -0.0018442000000000 ] - [ 0.0024859200000000, 0.0011374800000000, 0.0000849800000000 ] - [ 0.0007059200000000, 0.0002680200000000, 0.0004991000000000 ] - [ -0.0005955900000000, 0.0009132200000000, 0.0004878400000000 ] - [ -0.0060836700000000, 0.0120219600000000, 0.0035908200000000 ] - [ 0.0021582500000000, -0.0013896000000000, 0.0004171800000000 ] - [ 0.0017553500000000, 0.0000831300000000, -0.0021224800000000 ] - [ 0.0009693400000000, -0.0027906100000000, 0.0033378300000000 ] - [ -0.0010381200000000, -0.0013210000000000, 0.0018172900000000 ] - [ 0.0066838100000000, 0.0018331300000000, -0.0018255400000000 ] - [ -0.0007047900000000, 0.0005452100000000, -0.0001981300000000 ] - [ 0.0010175600000000, 0.0004449100000000, 0.0001025800000000 ] - [ -0.0006472100000000, 0.0004516100000000, -0.0006511000000000 ] - [ 0.0002515100000000, 0.0001513100000000, 0.0000945300000000 ] - [ 0.0026634300000000, -0.0016065400000000, 0.0003657800000000 ] - [ -0.0014285000000000, 0.0001317100000000, -0.0012685500000000 ] - [ -0.0002113700000000, 0.0001036900000000, -0.0001660900000000 ] - [ 0.0005593900000000, 0.0002216900000000, -0.0002929400000000 ] - [ -0.0010257700000000, -0.0002262800000000, 0.0001708500000000 ] - [ 0.0012120900000000, 0.0001974700000000, 0.0000743600000000 ] - [ -0.0031314100000000, -0.0032377300000000, -0.0019071300000000 ] - [ 0.0016031100000000, -0.0000451800000000, 0.0009830200000000 ] - [ 0.0012248200000000, 0.0011467900000000, -0.0004609300000000 ] - [ -0.0010166600000000, 0.0015419000000000, -0.0001271200000000 ] - [ -0.0004222300000000, -0.0003006400000000, 0.0008192200000000 ] - [ 0.0006489600000000, -0.0010291000000000, -0.0008742100000000 ] - [ -0.0033727500000000, -0.0002003500000000, -0.0018502200000000 ] - [ 0.0028998700000000, -0.0002589500000000, 0.0011258400000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0146132300000000, -0.0063244000000000, 0.0116512800000000 ] - [ 0.0009898200000000, -0.0007344500000000, -0.0001781200000000 ] - [ 0.0003883100000000, -0.0000235800000000, -0.0002517400000000 ] - [ -0.0006132200000000, -0.0000930000000000, -0.0008324400000000 ] - [ 0.0002017800000000, 0.0010025900000000, -0.0002025400000000 ] - [ -0.0000240300000000, 0.0004902400000000, -0.0001145300000000 ] - [ -0.0001428500000000, 0.0001287600000000, -0.0001265200000000 ] - [ -0.0000650900000000, 0.0000588600000000, 0.0000138600000000 ] - [ -0.0731712000000000, -0.0711132800000000, 0.0291805800000000 ] - [ -0.0002768000000000, -0.0005242400000000, -0.0005793500000000 ] - [ -0.0000099500000000, -0.0001818500000000, 0.0000497000000000 ] - [ -0.0007551700000000, -0.0001827500000000, -0.0000552900000000 ] - [ 0.0002907200000000, 0.0006334500000000, 0.0002662400000000 ] - [ -0.0000320300000000, 0.0007370600000000, 0.0003501200000000 ] - [ 0.0005967000000000, 0.0002516200000000, -0.0000045500000000 ] - [ 0.0007274000000000, 0.0002001100000000, -0.0001329200000000 ] - [ 0.0011867400000000, 0.0002577300000000, 0.0009703100000000 ] - [ -0.0014713300000000, -0.0003595800000000, 0.0000826400000000 ] - [ -0.0008108900000000, -0.0004313100000000, 0.0005409900000000 ] - [ -0.0003273700000000, -0.0001581700000000, 0.0004462300000000 ] - [ -0.0009530000000000, 0.0027360100000000, 0.0005436400000000 ] - [ 0.0008628300000000, 0.0002705000000000, 0.0005476900000000 ] - [ 0.0004780800000000, 0.0005863800000000, -0.0004436100000000 ] - [ 0.0004247100000000, 0.0003740500000000, -0.0004287200000000 ] - [ 0.0007249700000000, 0.0006316000000000, 0.0034287500000000 ] - [ -0.0006101800000000, -0.0003127400000000, 0.0002002000000000 ] - [ -0.0001544500000000, -0.0002501800000000, -0.0000771000000000 ] - [ -0.0003008300000000, -0.0004221200000000, -0.0005002000000000 ] - [ -0.0007716800000000, 0.0009132900000000, 0.0001720100000000 ] - [ 0.0004557000000000, 0.0003882400000000, -0.0001658400000000 ] - [ 0.0003037800000000, 0.0007372200000000, 0.0003013100000000 ] - [ 0.0004206200000000, 0.0003218500000000, 0.0002218800000000 ] - [ -0.0015558900000000, 0.0043686400000000, 0.0006094200000000 ] - [ -0.0000616000000000, 0.0001552800000000, -0.0002754400000000 ] - [ -0.0006573200000000, -0.0004957700000000, 0.0006053600000000 ] - [ 0.0003092500000000, -0.0007150400000000, 0.0006433200000000 ] - [ -0.0005486300000000, -0.0004498800000000, -0.0001978100000000 ] - [ 0.0035031400000000, 0.0015995000000000, -0.0041225200000000 ] - [ 0.0000897300000000, 0.0001630700000000, -0.0001456000000000 ] - [ 0.0003378200000000, -0.0000007400000000, -0.0001179800000000 ] - [ -0.0001251700000000, 0.0006596200000000, 0.0002189400000000 ] - [ -0.0000354300000000, 0.0003336500000000, 0.0002204000000000 ] - [ -0.0005977500000000, 0.0014299200000000, -0.0008118100000000 ] - [ 0.0004393600000000, 0.0018752700000000, -0.0003023600000000 ] - [ 0.0001868800000000, -0.0011367800000000, -0.0002757000000000 ] - [ -0.0001015400000000, -0.0017678300000000, -0.0005402900000000 ] - [ 0.0191750700000000, 0.0177881600000000, -0.0135437300000000 ] - [ 0.0000841400000000, -0.0007269000000000, 0.0001518200000000 ] - [ -0.0002839200000000, 0.0001879500000000, -0.0000842000000000 ] - [ -0.0003358200000000, 0.0003355900000000, -0.0000490900000000 ] - [ -0.0009748700000000, 0.0022103200000000, -0.0010798500000000 ] - [ -0.0004810500000000, 0.0006632200000000, -0.0002991400000000 ] - [ 0.0003601700000000, -0.0007037800000000, -0.0005147600000000 ] - [ 0.0006783000000000, -0.0004151500000000, -0.0002824800000000 ] - [ 0.0124105400000000, -0.0046002900000000, 0.0013016100000000 ] - [ 0.0001426700000000, -0.0009655400000000, -0.0005534000000000 ] - [ -0.0004690900000000, 0.0011216000000000, -0.0004043400000000 ] - [ -0.0006266900000000, 0.0012760900000000, -0.0002642600000000 ] - [ -0.0039797200000000, 0.0027315200000000, -0.0012083100000000 ] - [ 0.0002827900000000, -0.0003942200000000, 0.0008591900000000 ] - [ 0.0001437000000000, -0.0002677900000000, 0.0015728000000000 ] - [ 0.0003788700000000, 0.0004327700000000, 0.0008139300000000 ] - [ 0.0019858000000000, 0.0001407500000000, 0.0019074100000000 ] - [ 0.0001439000000000, -0.0010468400000000, -0.0006160200000000 ] - [ -0.0003107000000000, 0.0006593600000000, -0.0000435300000000 ] - [ -0.0000336000000000, 0.0006238300000000, -0.0001378500000000 ] - [ -0.0005944400000000, -0.0009370000000000, -0.0003871500000000 ] - [ 0.0010830900000000, -0.0009169400000000, -0.0004681200000000 ] - [ -0.0000548500000000, 0.0001073300000000, 0.0007909500000000 ] - [ 0.0008172200000000, -0.0008453100000000, 0.0049228900000000 ] - [ 0.0012262000000000, 0.0041648600000000, -0.0014229500000000 ] - [ 0.0002086000000000, -0.0002869700000000, -0.0004422900000000 ] - [ 0.0516777700000000, 0.0648936300000000, -0.0229881700000000 ] - [ -0.0006487000000000, 0.0014847300000000, 0.0011569400000000 ] - [ -0.0012190800000000, 0.0010926200000000, -0.0000179500000000 ] - [ 0.0005033300000000, 0.0015267300000000, 0.0007796900000000 ] - [ 0.0007709700000000, -0.0028013100000000, 0.0000730500000000 ] - [ 0.0006736100000000, -0.0019925900000000, -0.0007479900000000 ] - [ 0.0001033100000000, -0.0004646500000000, 0.0003230900000000 ] - [ -0.0000927300000000, -0.0000442800000000, 0.0002870200000000 ] - [ -0.0037999700000000, -0.0034994600000000, -0.0048348400000000 ] - [ 0.0015649000000000, 0.0007218100000000, 0.0012923700000000 ] - [ 0.0004399400000000, 0.0014032900000000, -0.0007733800000000 ] - [ -0.0002986400000000, 0.0008099800000000, -0.0008925200000000 ] - [ 0.0023190400000000, -0.0047917500000000, -0.0009939100000000 ] - [ -0.0006886100000000, -0.0012625200000000, -0.0008769900000000 ] - [ -0.0000923900000000, -0.0002497100000000, 0.0008427100000000 ] - [ 0.0000179200000000, -0.0005762700000000, 0.0007693800000000 ] - [ -0.0011033600000000, -0.0177183900000000, -0.0054325500000000 ] - [ -0.0001559400000000, 0.0002384100000000, 0.0005534300000000 ] - [ 0.0005381100000000, 0.0015829400000000, -0.0005936300000000 ] - [ -0.0011347500000000, 0.0042720600000000, -0.0016135000000000 ] - [ 0.0032168900000000, 0.0005650800000000, 0.0032349600000000 ] - [ -0.0034957500000000, -0.0011812000000000, 0.0010284100000000 ] - [ 0.0004686000000000, -0.0008771700000000, -0.0000885700000000 ] - [ 0.0000155800000000, -0.0004910700000000, -0.0000413500000000 ] - [ -0.0000120500000000, -0.0003347500000000, 0.0009944200000000 ] - [ -0.0001838900000000, 0.0000492300000000, 0.0000898600000000 ] - [ 0.0006709200000000, -0.0000860700000000, 0.0003546600000000 ] - [ 0.0038005000000000, 0.0043824100000000, 0.0029566200000000 ] - [ 0.0002284300000000, 0.0003315100000000, -0.0000227700000000 ] - [ 0.0000696100000000, 0.0002550800000000, 0.0000632400000000 ] - [ 0.0007300100000000, -0.0012857100000000, -0.0010430900000000 ] - [ -0.0001709600000000, -0.0005566100000000, -0.0000704200000000 ] - [ 0.0002949000000000, -0.0021958100000000, -0.0015363800000000 ] - [ -0.0005225600000000, -0.0010121700000000, -0.0000145700000000 ] - [ -0.0009237000000000, -0.0009276300000000, -0.0003998700000000 ] - [ 0.0006718500000000, -0.0018424200000000, -0.0001364300000000 ] - [ -0.0000468500000000, -0.0007665000000000, -0.0012348600000000 ] - [ 0.0001871700000000, -0.0005021700000000, -0.0005439000000000 ] - [ 0.0011345400000000, 0.0042175200000000, -0.0008751100000000 ] - [ -0.0006159600000000, 0.0016697300000000, 0.0000718500000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0147273400000000, 0.0062342500000000, -0.0115224800000000 ] - [ -0.0008700600000000, 0.0006646300000000, 0.0002552100000000 ] - [ -0.0002696800000000, 0.0001016700000000, 0.0001754000000000 ] - [ 0.0007324500000000, 0.0001684700000000, 0.0007574700000000 ] - [ -0.0003216200000000, -0.0010759400000000, 0.0001256100000000 ] - [ -0.0000922800000000, -0.0005641400000000, 0.0000381400000000 ] - [ 0.0000233300000000, -0.0000509300000000, 0.0002007100000000 ] - [ -0.0000528900000000, 0.0000178400000000, 0.0000622300000000 ] - [ 0.0707917000000000, 0.0698961100000000, -0.0293442200000000 ] - [ -0.0007852400000000, 0.0004223200000000, 0.0002031300000000 ] - [ -0.0010626200000000, 0.0002897100000000, 0.0003274600000000 ] - [ -0.0003136400000000, 0.0002888800000000, 0.0004333400000000 ] - [ 0.0007765200000000, -0.0007365500000000, 0.0001103900000000 ] - [ 0.0011044300000000, -0.0008420400000000, 0.0000256300000000 ] - [ 0.0004701300000000, -0.0001459800000000, -0.0003757100000000 ] - [ 0.0003438700000000, -0.0000939100000000, -0.0002446100000000 ] - [ -0.0021349100000000, -0.0003697300000000, -0.0018093700000000 ] - [ 0.0005269000000000, 0.0002320200000000, -0.0009418000000000 ] - [ -0.0001425700000000, 0.0005572000000000, 0.0003156200000000 ] - [ -0.0006197200000000, 0.0002855700000000, 0.0004099500000000 ] - [ 0.0018847000000000, -0.0028396700000000, 0.0003187000000000 ] - [ 0.0000875700000000, -0.0003979900000000, 0.0003112700000000 ] - [ 0.0004721300000000, -0.0004615800000000, -0.0004141500000000 ] - [ 0.0005254000000000, -0.0002478000000000, -0.0004289200000000 ] - [ -0.0013700800000000, -0.0007745100000000, -0.0029487700000000 ] - [ -0.0000022200000000, 0.0001668300000000, 0.0002859400000000 ] - [ -0.0004624500000000, 0.0003981800000000, -0.0004117100000000 ] - [ -0.0003141900000000, 0.0005684900000000, 0.0000101600000000 ] - [ 0.0013763200000000, -0.0010666200000000, -0.0006503400000000 ] - [ 0.0001533300000000, -0.0005452300000000, -0.0003185300000000 ] - [ 0.0003102900000000, -0.0005922000000000, 0.0001869300000000 ] - [ 0.0001958800000000, -0.0001753200000000, 0.0002657500000000 ] - [ 0.0009551200000000, -0.0041361000000000, -0.0008699600000000 ] - [ -0.0005302200000000, 0.0001029900000000, 0.0000107700000000 ] - [ 0.0000654200000000, 0.0002396800000000, -0.0003461400000000 ] - [ -0.0008993700000000, 0.0004589300000000, -0.0003775200000000 ] - [ 0.0011341100000000, 0.0007013700000000, 0.0004685600000000 ] - [ -0.0028938100000000, -0.0013313200000000, 0.0043640500000000 ] - [ 0.0005028300000000, -0.0004195100000000, -0.0001208300000000 ] - [ 0.0002575600000000, -0.0002563600000000, -0.0001478300000000 ] - [ -0.0000424400000000, -0.0007882300000000, 0.0002046600000000 ] - [ -0.0001309700000000, -0.0004624000000000, 0.0002040000000000 ] - [ 0.0004258800000000, -0.0012980700000000, 0.0003806200000000 ] - [ -0.0006025200000000, -0.0017410300000000, -0.0001226400000000 ] - [ -0.0000194000000000, 0.0010153000000000, -0.0001516700000000 ] - [ 0.0002687300000000, 0.0016404500000000, 0.0001167800000000 ] - [ -0.0192935400000000, -0.0178820100000000, 0.0143216100000000 ] - [ 0.0000850100000000, 0.0008589000000000, 0.0002729400000000 ] - [ -0.0004653900000000, -0.0003055800000000, 0.0001764400000000 ] - [ -0.0004148800000000, -0.0004519800000000, 0.0001411900000000 ] - [ 0.0002184200000000, -0.0020865000000000, 0.0009843500000000 ] - [ -0.0002673400000000, -0.0005475300000000, 0.0002119000000000 ] - [ 0.0003893800000000, 0.0005860900000000, 0.0004214300000000 ] - [ 0.0000726500000000, 0.0003000400000000, 0.0001879100000000 ] - [ -0.0116553400000000, 0.0048878000000000, -0.0012061500000000 ] - [ 0.0006175500000000, 0.0010838800000000, 0.0006492700000000 ] - [ -0.0005146200000000, 0.0006285900000000, -0.0006359600000000 ] - [ -0.0003582600000000, 0.0004732700000000, -0.0007763800000000 ] - [ 0.0029450900000000, -0.0044312400000000, 0.0022239200000000 ] - [ -0.0012639500000000, -0.0013521400000000, 0.0001863500000000 ] - [ 0.0008390500000000, 0.0020167600000000, -0.0005301400000000 ] - [ 0.0006086600000000, 0.0013210400000000, 0.0002214700000000 ] - [ -0.0010150600000000, -0.0018663900000000, -0.0029650500000000 ] - [ 0.0008438300000000, -0.0007034000000000, -0.0004231100000000 ] - [ -0.0001055700000000, 0.0000969000000000, -0.0005846600000000 ] - [ -0.0003817000000000, 0.0001330800000000, -0.0004898200000000 ] - [ 0.0001732600000000, 0.0001788100000000, 0.0010133600000000 ] - [ -0.0014919200000000, 0.0001591500000000, 0.0010930000000000 ] - [ 0.0004746500000000, 0.0006511200000000, -0.0001718900000000 ] - [ -0.0004038100000000, 0.0016025100000000, -0.0042717600000000 ] - [ -0.0008194200000000, -0.0049334800000000, 0.0008012000000000 ] - [ 0.0002092900000000, -0.0004677600000000, -0.0001860500000000 ] - [ -0.0506169600000000, -0.0646028900000000, 0.0229099400000000 ] - [ 0.0003143300000000, -0.0021155500000000, -0.0005125500000000 ] - [ 0.0009027800000000, -0.0004764000000000, -0.0006294000000000 ] - [ -0.0008241400000000, -0.0009029000000000, -0.0014321900000000 ] - [ -0.0004454200000000, 0.0021734700000000, -0.0007190900000000 ] - [ -0.0003604100000000, 0.0013680600000000, 0.0000967700000000 ] - [ 0.0002199600000000, 0.0010879600000000, 0.0003302000000000 ] - [ 0.0004096200000000, 0.0006696700000000, 0.0003637400000000 ] - [ 0.0038359600000000, 0.0029740100000000, 0.0063887000000000 ] - [ -0.0015815800000000, -0.0011500400000000, 0.0003221000000000 ] - [ -0.0004447700000000, -0.0009712700000000, -0.0008365500000000 ] - [ 0.0002887400000000, -0.0003810100000000, -0.0007157800000000 ] - [ -0.0022863100000000, 0.0043526100000000, -0.0006339100000000 ] - [ 0.0006967100000000, 0.0008310500000000, -0.0007462300000000 ] - [ 0.0000984000000000, 0.0006836900000000, 0.0007699400000000 ] - [ -0.0000107600000000, 0.0010092400000000, 0.0008439000000000 ] - [ 0.0008019000000000, 0.0176038600000000, 0.0055070200000000 ] - [ -0.0001861400000000, -0.0003897200000000, -0.0004928000000000 ] - [ -0.0008809400000000, -0.0014397300000000, 0.0005424400000000 ] - [ 0.0007982700000000, -0.0041213100000000, 0.0015526900000000 ] - [ -0.0028561500000000, -0.0007017100000000, -0.0032829800000000 ] - [ 0.0038182700000000, 0.0010260600000000, -0.0010941200000000 ] - [ -0.0001315100000000, 0.0010304300000000, 0.0001525100000000 ] - [ 0.0003181800000000, 0.0006436600000000, 0.0001039500000000 ] - [ -0.0002873000000000, 0.0007055300000000, -0.0009405900000000 ] - [ -0.0001164200000000, 0.0003210500000000, -0.0000338400000000 ] - [ -0.0009848100000000, -0.0002741100000000, -0.0004157800000000 ] - [ -0.0038625400000000, -0.0045859500000000, -0.0028940500000000 ] - [ 0.0000740700000000, 0.0000363500000000, -0.0000316900000000 ] - [ 0.0002299200000000, 0.0001117800000000, -0.0001183100000000 ] - [ -0.0004287500000000, 0.0009211100000000, 0.0011050500000000 ] - [ 0.0004693800000000, 0.0001874000000000, 0.0001270200000000 ] - [ -0.0004913900000000, 0.0010376500000000, 0.0022508600000000 ] - [ 0.0003103900000000, -0.0001659100000000, 0.0007196800000000 ] - [ 0.0007162900000000, 0.0021109300000000, -0.0003025900000000 ] - [ -0.0008876800000000, 0.0030276500000000, -0.0005690100000000 ] - [ 0.0002595200000000, -0.0004147700000000, 0.0005309800000000 ] - [ 0.0000195600000000, -0.0006761800000000, -0.0001571800000000 ] - [ -0.0009220500000000, -0.0030451900000000, 0.0016276000000000 ] - [ 0.0008186700000000, -0.0004862300000000, 0.0006269300000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0255971200000000, 0.0054120500000000, 0.0054804300000000 ] - [ 0.0000937500000000, -0.0003260200000000, -0.0005287500000000 ] - [ -0.0002452700000000, -0.0002148300000000, 0.0001175500000000 ] - [ 0.0004624400000000, -0.0001489800000000, 0.0005508500000000 ] - [ 0.0000703100000000, 0.0001809700000000, -0.0003012900000000 ] - [ -0.0001539400000000, -0.0000407200000000, -0.0001183500000000 ] - [ -0.0000355000000000, -0.0023988600000000, 0.0024685500000000 ] - [ 0.0000034300000000, -0.0001342200000000, 0.0003940300000000 ] - [ 0.1757758700000000, 0.0296151200000000, -0.1537702100000000 ] - [ -0.0012186700000000, -0.0004438300000000, -0.0007378400000000 ] - [ -0.0006086200000000, -0.0001911100000000, 0.0009074100000000 ] - [ -0.0002587000000000, -0.0000869800000000, 0.0009069100000000 ] - [ 0.0006628700000000, -0.0001299500000000, -0.0003217600000000 ] - [ 0.0006609400000000, -0.0002139700000000, -0.0001815200000000 ] - [ 0.0011828300000000, -0.0001308300000000, 0.0010683900000000 ] - [ 0.0004137600000000, -0.0000018000000000, 0.0001486300000000 ] - [ 0.0006482900000000, 0.0004657200000000, -0.0004583500000000 ] - [ -0.0028847000000000, 0.0016226400000000, -0.0007503700000000 ] - [ -0.0002513900000000, 0.0004902800000000, 0.0023998000000000 ] - [ -0.0008399200000000, 0.0000280600000000, 0.0009581000000000 ] - [ 0.0005338400000000, 0.0002038300000000, -0.0006809900000000 ] - [ -0.0000858200000000, 0.0000135000000000, -0.0000440100000000 ] - [ -0.0000397900000000, 0.0002718600000000, -0.0000300000000000 ] - [ 0.0005094300000000, 0.0000636800000000, -0.0001318900000000 ] - [ 0.0034377300000000, 0.0031159700000000, 0.0008133400000000 ] - [ -0.0012393200000000, -0.0000468200000000, 0.0001556200000000 ] - [ -0.0000633200000000, -0.0000115100000000, 0.0003979400000000 ] - [ -0.0005866400000000, 0.0009430900000000, 0.0028052300000000 ] - [ 0.0009641600000000, 0.0007493400000000, -0.0017607700000000 ] - [ 0.0001783500000000, -0.0002674400000000, -0.0007125800000000 ] - [ 0.0009706200000000, 0.0002763800000000, 0.0007998400000000 ] - [ 0.0001294700000000, 0.0001266600000000, 0.0004497900000000 ] - [ 0.0015566600000000, -0.0015520500000000, -0.0028106100000000 ] - [ -0.0005569200000000, 0.0002433500000000, -0.0005406900000000 ] - [ -0.0006470300000000, -0.0001183500000000, 0.0015215400000000 ] - [ 0.0004043400000000, -0.0002090100000000, 0.0011935200000000 ] - [ 0.0014066600000000, 0.0001412200000000, -0.0012702800000000 ] - [ -0.0022251700000000, -0.0017445400000000, -0.0003581500000000 ] - [ 0.0005291900000000, -0.0001651700000000, 0.0004180700000000 ] - [ 0.0001904600000000, -0.0000474300000000, 0.0001847900000000 ] - [ 0.0001071200000000, -0.0007439600000000, 0.0006281600000000 ] - [ -0.0001462600000000, -0.0000574800000000, 0.0004292300000000 ] - [ 0.0002208100000000, -0.0008733700000000, -0.0004014100000000 ] - [ -0.0005099400000000, -0.0009114200000000, -0.0001751600000000 ] - [ -0.0003221500000000, -0.0007626100000000, 0.0005131600000000 ] - [ 0.0004963700000000, -0.0006433600000000, 0.0009601500000000 ] - [ -0.0134989500000000, -0.0224671400000000, -0.0003293200000000 ] - [ -0.0001284100000000, -0.0000267100000000, -0.0001862400000000 ] - [ -0.0006773100000000, -0.0001980400000000, 0.0006038800000000 ] - [ -0.0006085900000000, -0.0006855000000000, 0.0013111300000000 ] - [ -0.0005180900000000, -0.0002809800000000, -0.0011389600000000 ] - [ -0.0006209200000000, 0.0001301000000000, -0.0006056200000000 ] - [ 0.0001521100000000, 0.0005894100000000, 0.0016288700000000 ] - [ 0.0000076200000000, 0.0000195000000000, 0.0007413100000000 ] - [ 0.0153759100000000, 0.0051690100000000, -0.0063358000000000 ] - [ -0.0008971300000000, -0.0002988100000000, -0.0011654800000000 ] - [ -0.0007622600000000, 0.0010657900000000, 0.0000375900000000 ] - [ -0.0006192200000000, 0.0009937500000000, 0.0001982800000000 ] - [ 0.0011005200000000, -0.0039193700000000, -0.0013288700000000 ] - [ -0.0014851200000000, -0.0014111100000000, -0.0004687100000000 ] - [ 0.0001346200000000, -0.0000767200000000, 0.0027618700000000 ] - [ -0.0001421400000000, 0.0003350300000000, 0.0018045500000000 ] - [ -0.0011410700000000, 0.0001471200000000, -0.0055096200000000 ] - [ -0.0002035400000000, -0.0003254700000000, -0.0016977400000000 ] - [ -0.0000892900000000, 0.0006694400000000, 0.0002298100000000 ] - [ -0.0001030000000000, 0.0005620000000000, -0.0000012600000000 ] - [ 0.0020274700000000, -0.0019483900000000, 0.0004384300000000 ] - [ -0.0009429100000000, -0.0005883800000000, 0.0005089300000000 ] - [ -0.0007092100000000, 0.0002742100000000, 0.0016837600000000 ] - [ 0.0014563500000000, 0.0001806600000000, 0.0032738300000000 ] - [ -0.0000096600000000, -0.0039092300000000, -0.0006687000000000 ] - [ 0.0002703900000000, -0.0002041100000000, -0.0007072600000000 ] - [ -0.1540349900000000, -0.0230012800000000, 0.1353590300000000 ] - [ 0.0011440000000000, 0.0003671900000000, 0.0018781900000000 ] - [ 0.0005734800000000, 0.0014510500000000, -0.0015529100000000 ] - [ -0.0003940200000000, 0.0010763800000000, -0.0025591200000000 ] - [ 0.0000413000000000, 0.0001390800000000, 0.0008171500000000 ] - [ 0.0003421000000000, 0.0002641600000000, 0.0004081100000000 ] - [ -0.0009078700000000, 0.0019932200000000, -0.0021768100000000 ] - [ 0.0004614900000000, 0.0005068800000000, -0.0004772100000000 ] - [ -0.0040757700000000, -0.0062142800000000, 0.0033933200000000 ] - [ 0.0029986800000000, -0.0006836500000000, 0.0028011800000000 ] - [ -0.0005822300000000, 0.0001356800000000, -0.0053182400000000 ] - [ 0.0001868000000000, 0.0004791100000000, -0.0024683100000000 ] - [ -0.0006334900000000, 0.0008641600000000, 0.0040151400000000 ] - [ 0.0006657500000000, 0.0001641600000000, 0.0006752700000000 ] - [ 0.0005609200000000, 0.0001330300000000, -0.0001224900000000 ] - [ -0.0004706800000000, 0.0004441800000000, -0.0005507600000000 ] - [ -0.0019477100000000, 0.0135058000000000, 0.0105830000000000 ] - [ 0.0003853000000000, -0.0002037800000000, 0.0010756100000000 ] - [ 0.0013357100000000, 0.0007015600000000, -0.0024844000000000 ] - [ -0.0015059100000000, 0.0011707400000000, -0.0035123300000000 ] - [ -0.0028572700000000, 0.0019910700000000, 0.0009733500000000 ] - [ 0.0028969300000000, 0.0011099800000000, -0.0002498600000000 ] - [ -0.0000741700000000, 0.0001732700000000, -0.0010909200000000 ] - [ 0.0003680200000000, -0.0000817100000000, -0.0006358100000000 ] - [ -0.0003098800000000, 0.0004209600000000, -0.0007642500000000 ] - [ -0.0000627000000000, 0.0002241300000000, -0.0000383800000000 ] - [ 0.0020875300000000, -0.0011456800000000, 0.0013152900000000 ] - [ 0.0033440500000000, 0.0035657200000000, 0.0023609700000000 ] - [ -0.0002880600000000, 0.0002190900000000, -0.0010331500000000 ] - [ 0.0006134300000000, 0.0002452500000000, -0.0007061100000000 ] - [ 0.0001110200000000, -0.0010443100000000, 0.0004841300000000 ] - [ 0.0001985100000000, -0.0003953400000000, 0.0001235200000000 ] - [ -0.0009242300000000, -0.0040947300000000, -0.0028428100000000 ] - [ 0.0001852800000000, -0.0009364400000000, 0.0002256300000000 ] - [ 0.0007308900000000, 0.0006828300000000, 0.0001496700000000 ] - [ -0.0008011600000000, 0.0009099600000000, 0.0000741900000000 ] - [ -0.0005179400000000, -0.0011296700000000, -0.0015751700000000 ] - [ 0.0006799900000000, -0.0011040000000000, -0.0011783900000000 ] - [ -0.0000585300000000, 0.0011818900000000, 0.0086348500000000 ] - [ 0.0000737700000000, 0.0007711800000000, 0.0003250900000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0253392200000000, -0.0053294000000000, -0.0054148700000000 ] - [ 0.0000310500000000, 0.0002487400000000, 0.0006044500000000 ] - [ 0.0003689100000000, 0.0002930400000000, -0.0001958300000000 ] - [ -0.0003444600000000, 0.0002226000000000, -0.0006337600000000 ] - [ -0.0001928800000000, -0.0002580700000000, 0.0002302300000000 ] - [ 0.0000345900000000, -0.0000356200000000, 0.0000446500000000 ] - [ -0.0000856200000000, 0.0025068200000000, -0.0024174800000000 ] - [ -0.0001244100000000, 0.0002126500000000, -0.0003184500000000 ] - [ -0.1723884900000000, -0.0289256000000000, 0.1540899700000000 ] - [ 0.0001544700000000, 0.0003387000000000, 0.0003629700000000 ] - [ -0.0004649600000000, 0.0002978800000000, -0.0005352900000000 ] - [ -0.0008145400000000, 0.0001908200000000, -0.0005357100000000 ] - [ 0.0004116100000000, 0.0000256600000000, 0.0006980100000000 ] - [ 0.0004101800000000, 0.0001102000000000, 0.0005589600000000 ] - [ -0.0001162500000000, 0.0002404000000000, -0.0014518100000000 ] - [ 0.0006637500000000, 0.0001098700000000, -0.0005242300000000 ] - [ -0.0015878800000000, -0.0005667800000000, -0.0003604400000000 ] - [ 0.0019561000000000, -0.0017669700000000, -0.0001019100000000 ] - [ -0.0007078300000000, -0.0003723000000000, -0.0015559000000000 ] - [ -0.0001034700000000, 0.0000969400000000, -0.0001024100000000 ] - [ 0.0004133800000000, -0.0003323300000000, 0.0015392700000000 ] - [ 0.0010382000000000, -0.0001396600000000, 0.0009037200000000 ] - [ 0.0009897600000000, -0.0001456500000000, -0.0008299800000000 ] - [ 0.0004395000000000, 0.0000634400000000, -0.0007290200000000 ] - [ -0.0041131600000000, -0.0032790000000000, -0.0003067600000000 ] - [ 0.0006308400000000, -0.0000995000000000, 0.0003324200000000 ] - [ -0.0005550100000000, 0.0001564300000000, -0.0008859700000000 ] - [ -0.0000252700000000, -0.0008120400000000, -0.0033265100000000 ] - [ -0.0003448400000000, -0.0008945400000000, 0.0012735400000000 ] - [ 0.0004381800000000, 0.0001212100000000, 0.0002273200000000 ] - [ -0.0003564700000000, -0.0001293900000000, -0.0003167600000000 ] - [ 0.0004902200000000, 0.0000200500000000, 0.0000368500000000 ] - [ -0.0021626100000000, 0.0018257400000000, 0.0025539600000000 ] - [ -0.0000337700000000, 0.0000139300000000, 0.0002803700000000 ] - [ 0.0000525700000000, -0.0001409300000000, -0.0012663000000000 ] - [ -0.0009985700000000, -0.0000480100000000, -0.0009367700000000 ] - [ -0.0008141200000000, 0.0001125900000000, 0.0015417100000000 ] - [ 0.0028506000000000, 0.0020310200000000, 0.0006207300000000 ] - [ 0.0000629000000000, -0.0000904800000000, -0.0006820900000000 ] - [ 0.0004087800000000, -0.0002111100000000, -0.0004469000000000 ] - [ -0.0002771800000000, 0.0006266900000000, -0.0002022600000000 ] - [ -0.0000198400000000, -0.0000700500000000, -0.0000008600000000 ] - [ -0.0003887300000000, 0.0010065400000000, -0.0000218900000000 ] - [ 0.0003479300000000, 0.0010540500000000, -0.0002538000000000 ] - [ 0.0004917300000000, 0.0006325300000000, -0.0009458900000000 ] - [ -0.0003280900000000, 0.0005107100000000, -0.0013908100000000 ] - [ 0.0135326100000000, 0.0224018500000000, 0.0007219700000000 ] - [ 0.0002990300000000, 0.0001549700000000, 0.0006157600000000 ] - [ -0.0000699500000000, 0.0000824100000000, -0.0005125900000000 ] - [ -0.0001386400000000, 0.0005773000000000, -0.0012295400000000 ] - [ -0.0002308100000000, 0.0003980200000000, 0.0010487000000000 ] - [ -0.0001268000000000, -0.0000128400000000, 0.0005171600000000 ] - [ 0.0005971400000000, -0.0007169100000000, -0.0017370000000000 ] - [ 0.0007450300000000, -0.0001380000000000, -0.0008399600000000 ] - [ -0.0144623200000000, -0.0049309400000000, 0.0065459100000000 ] - [ 0.0016609900000000, 0.0004158700000000, 0.0012675300000000 ] - [ -0.0002197300000000, 0.0006846600000000, -0.0010768800000000 ] - [ -0.0003647500000000, 0.0007571000000000, -0.0012400900000000 ] - [ -0.0020834700000000, 0.0021716800000000, 0.0023858700000000 ] - [ 0.0005112800000000, -0.0003326500000000, 0.0015177400000000 ] - [ 0.0008498500000000, 0.0018315000000000, -0.0017355700000000 ] - [ 0.0011284100000000, 0.0014156500000000, -0.0007696900000000 ] - [ 0.0021134200000000, -0.0018689600000000, 0.0044647300000000 ] - [ 0.0011925600000000, -0.0014299100000000, 0.0006669600000000 ] - [ -0.0003288900000000, 0.0000822400000000, -0.0008621200000000 ] - [ -0.0003117200000000, 0.0001914600000000, -0.0006292400000000 ] - [ -0.0024655300000000, 0.0012066500000000, 0.0002031900000000 ] - [ 0.0005359900000000, -0.0001627700000000, 0.0001233300000000 ] - [ 0.0011238000000000, 0.0004790300000000, -0.0010534200000000 ] - [ -0.0010380500000000, 0.0005818600000000, -0.0026415700000000 ] - [ 0.0004269700000000, 0.0031615600000000, 0.0000342300000000 ] - [ 0.0001470900000000, -0.0005486300000000, 0.0000742100000000 ] - [ 0.1494467200000000, 0.0215680100000000, -0.1345407200000000 ] - [ -0.0014795400000000, -0.0009945200000000, -0.0012365500000000 ] - [ -0.0008965100000000, -0.0008312000000000, 0.0009101300000000 ] - [ 0.0000747100000000, -0.0004435900000000, 0.0019226500000000 ] - [ 0.0002772300000000, -0.0007661800000000, -0.0014740900000000 ] - [ -0.0000245600000000, -0.0008962100000000, -0.0010665500000000 ] - [ 0.0012380000000000, -0.0013929800000000, 0.0028469600000000 ] - [ -0.0001483700000000, 0.0001139900000000, 0.0011274900000000 ] - [ 0.0041108200000000, 0.0056295100000000, -0.0019375700000000 ] - [ -0.0030297800000000, 0.0002595000000000, -0.0012032700000000 ] - [ 0.0005898100000000, 0.0003041700000000, 0.0037436500000000 ] - [ -0.0001995400000000, -0.0000469400000000, 0.0008632200000000 ] - [ 0.0006385100000000, -0.0012871000000000, -0.0056302700000000 ] - [ -0.0006625600000000, -0.0006009400000000, -0.0022997000000000 ] - [ -0.0005568700000000, 0.0002972100000000, 0.0017368600000000 ] - [ 0.0004796400000000, -0.0000186100000000, 0.0021723400000000 ] - [ 0.0016062600000000, -0.0137186800000000, -0.0105147400000000 ] - [ -0.0007304000000000, 0.0000537600000000, -0.0010156700000000 ] - [ -0.0016756800000000, -0.0005457000000000, 0.0024280900000000 ] - [ 0.0011671600000000, -0.0010212300000000, 0.0034602900000000 ] - [ 0.0032045000000000, -0.0021551300000000, -0.0010675300000000 ] - [ -0.0025859500000000, -0.0012742700000000, 0.0001854600000000 ] - [ 0.0004138000000000, -0.0000264500000000, 0.0011587000000000 ] - [ -0.0000374800000000, 0.0002321200000000, 0.0006978900000000 ] - [ 0.0000106600000000, -0.0000535500000000, 0.0008260100000000 ] - [ -0.0002390700000000, 0.0001456900000000, 0.0000958700000000 ] - [ -0.0023838600000000, 0.0007762800000000, -0.0013633300000000 ] - [ -0.0036477800000000, -0.0039481400000000, -0.0024832000000000 ] - [ 0.0005954900000000, 0.0001468400000000, 0.0009792300000000 ] - [ -0.0003193100000000, 0.0001193000000000, 0.0006540000000000 ] - [ 0.0001965100000000, 0.0006783600000000, -0.0004334800000000 ] - [ 0.0000965100000000, 0.0000246700000000, -0.0000684800000000 ] - [ 0.0007204800000000, 0.0029204500000000, 0.0035575500000000 ] - [ -0.0003974400000000, -0.0002447200000000, 0.0004802300000000 ] - [ -0.0009467600000000, 0.0004947400000000, -0.0008499200000000 ] - [ 0.0005988700000000, 0.0002677700000000, -0.0007741400000000 ] - [ 0.0007347600000000, -0.0000485000000000, 0.0008666300000000 ] - [ -0.0004789800000000, -0.0000688900000000, 0.0004783800000000 ] - [ 0.0004201600000000, 0.0000608800000000, -0.0086686300000000 ] - [ 0.0001203300000000, 0.0004162700000000, 0.0003681000000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001254400000000, 0.0023879700000000, 0.0025416500000000 ] - [ 0.0012056800000000, -0.0007627600000000, -0.0007952700000000 ] - [ -0.0005937500000000, 0.0000358800000000, -0.0000067800000000 ] - [ 0.0007571200000000, 0.0001639500000000, 0.0003323500000000 ] - [ -0.0020331700000000, -0.0022863600000000, 0.0001495800000000 ] - [ 0.0012803400000000, 0.0005488100000000, -0.0002568000000000 ] - [ 0.0002718300000000, 0.0004918700000000, -0.0005356500000000 ] - [ -0.0005821000000000, -0.0012386000000000, 0.0015991600000000 ] - [ 0.0015485100000000, 0.0016069800000000, 0.0009327200000000 ] - [ 0.0009800500000000, -0.0010497900000000, -0.0026022400000000 ] - [ -0.0016757300000000, 0.0003865200000000, -0.0000360800000000 ] - [ 0.0003422300000000, -0.0000927800000000, 0.0005554900000000 ] - [ -0.0026946000000000, 0.0013659200000000, 0.0002476700000000 ] - [ 0.0020860100000000, -0.0004404100000000, -0.0003742900000000 ] - [ 0.0003676900000000, 0.0000034400000000, -0.0002239200000000 ] - [ 0.0009368500000000, 0.0000569300000000, 0.0003260000000000 ] - [ -0.4272101600000000, -0.0075769200000000, -0.1918479300000000 ] - [ 0.0040636300000000, 0.0001021300000000, -0.0000042100000000 ] - [ -0.0000636500000000, 0.0003890200000000, -0.0008390200000000 ] - [ -0.0000566400000000, 0.0001975300000000, 0.0016977900000000 ] - [ 0.0004447000000000, -0.0000170800000000, 0.0004284000000000 ] - [ 0.0004322300000000, -0.0001117300000000, 0.0001884000000000 ] - [ -0.0004196600000000, 0.0000104300000000, 0.0000815800000000 ] - [ 0.0011166700000000, 0.0000455000000000, -0.0005275500000000 ] - [ 0.0394197100000000, 0.0016406100000000, 0.0064249300000000 ] - [ 0.0057581300000000, -0.0002756700000000, -0.0008158700000000 ] - [ -0.0007100600000000, -0.0001838200000000, 0.0028737600000000 ] - [ 0.0006086500000000, -0.0000125400000000, -0.0006299600000000 ] - [ -0.0002523900000000, 0.0000481900000000, -0.0001387300000000 ] - [ 0.0009296400000000, -0.0001801800000000, -0.0006531900000000 ] - [ 0.0007171900000000, -0.0000847500000000, 0.0003479700000000 ] - [ 0.0001408800000000, 0.0001586600000000, 0.0005943300000000 ] - [ 0.0015549800000000, -0.0012482200000000, 0.0019507800000000 ] - [ 0.0019691300000000, 0.0006263300000000, -0.0039070400000000 ] - [ -0.0009762000000000, -0.0002474900000000, 0.0005283800000000 ] - [ 0.0004093600000000, 0.0000182400000000, 0.0002980400000000 ] - [ -0.0020289300000000, -0.0008419500000000, -0.0002916000000000 ] - [ 0.0021756400000000, 0.0007779900000000, -0.0003448000000000 ] - [ 0.0001287000000000, -0.0002618200000000, -0.0004237200000000 ] - [ 0.0011888900000000, 0.0000224500000000, 0.0007020700000000 ] - [ -0.0000753500000000, -0.0004603900000000, 0.0000290100000000 ] - [ 0.0000573200000000, 0.0005188300000000, 0.0007166100000000 ] - [ -0.0009790800000000, -0.0003134600000000, 0.0001697000000000 ] - [ 0.0005314000000000, -0.0001029500000000, -0.0005632500000000 ] - [ -0.0004256100000000, 0.0000123200000000, 0.0000476500000000 ] - [ 0.0004957700000000, 0.0000427000000000, -0.0000773100000000 ] - [ 0.0012963700000000, 0.0004138900000000, 0.0020657600000000 ] - [ 0.0008575100000000, -0.0002914600000000, -0.0001848600000000 ] - [ -0.0008163400000000, -0.0003845200000000, 0.0009782900000000 ] - [ -0.0001293900000000, -0.0000623800000000, -0.0001524700000000 ] - [ -0.0014675200000000, -0.0003321100000000, -0.0001734000000000 ] - [ 0.0003581100000000, 0.0003350400000000, -0.0002705500000000 ] - [ 0.0008710800000000, -0.0002180200000000, -0.0003441100000000 ] - [ -0.0001758200000000, 0.0005890100000000, 0.0011979300000000 ] - [ 0.0075476400000000, 0.0054811800000000, 0.0130150100000000 ] - [ 0.0017445600000000, -0.0000978200000000, -0.0002352400000000 ] - [ -0.0011808500000000, 0.0016686700000000, 0.0010866000000000 ] - [ -0.0000827300000000, 0.0005254100000000, -0.0010865300000000 ] - [ -0.0013419300000000, -0.0007286400000000, 0.0001841000000000 ] - [ 0.0001328500000000, -0.0011931200000000, 0.0001605700000000 ] - [ 0.0009666700000000, 0.0011413300000000, 0.0001346400000000 ] - [ 0.0001544400000000, 0.0002587700000000, 0.0019108700000000 ] - [ 0.0083839000000000, -0.0047563600000000, 0.0138370200000000 ] - [ 0.0020412900000000, -0.0007671100000000, -0.0007329000000000 ] - [ 0.0003998200000000, -0.0002844900000000, -0.0016037100000000 ] - [ -0.0001680100000000, 0.0024179000000000, 0.0037131700000000 ] - [ -0.0016435400000000, 0.0005760800000000, 0.0001044200000000 ] - [ 0.0026828000000000, -0.0017518500000000, 0.0000534800000000 ] - [ -0.0001971500000000, 0.0002906100000000, 0.0005694900000000 ] - [ 0.0006911700000000, 0.0003995900000000, 0.0006128500000000 ] - [ -0.0001535000000000, -0.0025274900000000, 0.0027217900000000 ] - [ 0.0018174100000000, 0.0003865500000000, -0.0014065200000000 ] - [ -0.0063729200000000, -0.0040134100000000, -0.0071932700000000 ] - [ -0.0030240100000000, 0.0001143400000000, 0.0019076000000000 ] - [ 0.0019291900000000, 0.0001407600000000, -0.0010641000000000 ] - [ -0.0016350600000000, 0.0001676000000000, -0.0007297400000000 ] - [ 0.0047805300000000, 0.0017999300000000, -0.0020891300000000 ] - [ -0.0025044500000000, -0.0008967100000000, 0.0007730000000000 ] - [ 0.0001810900000000, 0.0004022200000000, 0.0007714200000000 ] - [ -0.0001793500000000, 0.0008323500000000, -0.0013242100000000 ] - [ 0.3727675800000000, 0.0105648100000000, 0.1624539500000000 ] - [ -0.0071826600000000, -0.0002910900000000, 0.0023179700000000 ] - [ -0.0013471600000000, 0.0000916500000000, 0.0001687700000000 ] - [ -0.0008441500000000, 0.0001332500000000, -0.0038816100000000 ] - [ 0.0004369500000000, -0.0001599900000000, -0.0010234100000000 ] - [ -0.0004262000000000, -0.0002288400000000, 0.0002802400000000 ] - [ 0.0009344900000000, 0.0000102700000000, -0.0004649400000000 ] - [ -0.0009008000000000, 0.0004437200000000, 0.0009368700000000 ] - [ -0.0060210900000000, 0.0024221300000000, -0.0082916800000000 ] - [ -0.0040884100000000, 0.0001113300000000, 0.0016411500000000 ] - [ 0.0013123500000000, 0.0001510000000000, -0.0011372100000000 ] - [ -0.0014476200000000, -0.0000533300000000, -0.0002300700000000 ] - [ 0.0034192600000000, -0.0006752600000000, -0.0004293800000000 ] - [ -0.0025622900000000, 0.0009555400000000, 0.0015829300000000 ] - [ 0.0002524900000000, 0.0011838200000000, 0.0011166500000000 ] - [ -0.0007682700000000, -0.0019748400000000, -0.0025155000000000 ] - [ -0.0000048300000000, 0.0003321700000000, -0.0006524500000000 ] - [ -0.0003885300000000, 0.0001980100000000, 0.0000668900000000 ] - [ 0.0011862900000000, -0.0001141100000000, 0.0004158900000000 ] - [ -0.0012295500000000, -0.0007000800000000, -0.0001813500000000 ] - [ 0.0011377200000000, 0.0002306100000000, 0.0000523900000000 ] - [ -0.0006469700000000, 0.0001886700000000, -0.0004021700000000 ] - [ -0.0026438900000000, 0.0028577100000000, 0.0002666400000000 ] - [ -0.0012931800000000, -0.0028414200000000, -0.0000119500000000 ] - [ 0.0001985300000000, -0.0011041000000000, -0.0003918500000000 ] - [ -0.0004878200000000, -0.0004703700000000, 0.0003541700000000 ] - [ 0.0020577600000000, 0.0005864200000000, 0.0002212000000000 ] - [ -0.0018456000000000, 0.0012778200000000, -0.0007186200000000 ] - [ 0.0068968200000000, -0.0002452700000000, 0.0018635500000000 ] - [ -0.0022560200000000, -0.0007344100000000, -0.0011093700000000 ] - [ -0.0042773900000000, -0.0046568000000000, 0.0022256700000000 ] - [ 0.0032819200000000, -0.0009942800000000, 0.0004005300000000 ]- atom: 17 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002418800000000, -0.0024648200000000, -0.0024652200000000 ] - [ -0.0010884400000000, 0.0006887800000000, 0.0008756100000000 ] - [ 0.0007171000000000, 0.0000414200000000, -0.0000691500000000 ] - [ -0.0006405700000000, -0.0000892800000000, -0.0004103800000000 ] - [ 0.0018979700000000, 0.0022251300000000, -0.0002295400000000 ] - [ -0.0013912100000000, -0.0006247200000000, 0.0001830200000000 ] - [ -0.0003940200000000, -0.0004093500000000, 0.0006063000000000 ] - [ 0.0004684900000000, 0.0013236200000000, -0.0015331100000000 ] - [ -0.0026427600000000, -0.0017138400000000, -0.0013024000000000 ] - [ -0.0020526500000000, 0.0009492900000000, 0.0022384700000000 ] - [ 0.0006105400000000, -0.0002828900000000, 0.0004199100000000 ] - [ -0.0014162400000000, 0.0001984200000000, -0.0001811400000000 ] - [ 0.0037676200000000, -0.0014701500000000, 0.0001274700000000 ] - [ -0.0010159700000000, 0.0003361400000000, 0.0007492600000000 ] - [ 0.0007007900000000, 0.0001030800000000, -0.0001534100000000 ] - [ 0.0001357400000000, 0.0000503100000000, -0.0007031500000000 ] - [ 0.4071253000000000, 0.0064151800000000, 0.1788209600000000 ] - [ -0.0050082400000000, -0.0002295500000000, -0.0008491800000000 ] - [ -0.0008919800000000, -0.0002661800000000, 0.0016913900000000 ] - [ -0.0008843400000000, -0.0000725500000000, -0.0008480100000000 ] - [ 0.0004984700000000, -0.0001085300000000, 0.0004265600000000 ] - [ 0.0005168900000000, -0.0000129500000000, 0.0006689400000000 ] - [ 0.0013687200000000, 0.0001165000000000, -0.0009394800000000 ] - [ -0.0001714200000000, 0.0000803800000000, -0.0003291000000000 ] - [ -0.0389830400000000, -0.0017810700000000, -0.0058842600000000 ] - [ -0.0064043200000000, 0.0001334100000000, 0.0013039000000000 ] - [ 0.0001094000000000, 0.0003291600000000, -0.0033686200000000 ] - [ -0.0012317200000000, 0.0001587100000000, 0.0001350200000000 ] - [ 0.0008724800000000, -0.0001936900000000, -0.0003517200000000 ] - [ -0.0003099100000000, 0.0000359900000000, 0.0001656000000000 ] - [ -0.0001003800000000, 0.0002317200000000, 0.0001405200000000 ] - [ 0.0004803200000000, -0.0000116800000000, -0.0001056200000000 ] - [ -0.0021693400000000, 0.0015074200000000, -0.0022023600000000 ] - [ -0.0025629000000000, -0.0003757200000000, 0.0036630800000000 ] - [ 0.0003829900000000, -0.0000102600000000, -0.0002662500000000 ] - [ -0.0010051400000000, -0.0002753200000000, -0.0000362500000000 ] - [ 0.0026318200000000, 0.0010980100000000, 0.0005546100000000 ] - [ -0.0015811300000000, -0.0005167800000000, 0.0006135600000000 ] - [ 0.0004519700000000, 0.0000118500000000, 0.0001606200000000 ] - [ -0.0005929200000000, -0.0002803400000000, -0.0009653000000000 ] - [ -0.0000938900000000, 0.0003337600000000, 0.0003968800000000 ] - [ -0.0002233700000000, -0.0006450700000000, -0.0002890600000000 ] - [ 0.0008138700000000, 0.0004463000000000, -0.0005983100000000 ] - [ -0.0006973600000000, 0.0002382800000000, 0.0001363700000000 ] - [ 0.0005938700000000, -0.0001441300000000, -0.0004753300000000 ] - [ -0.0003306100000000, -0.0001723900000000, -0.0003503000000000 ] - [ -0.0011397600000000, -0.0002830800000000, -0.0016450900000000 ] - [ -0.0006912000000000, 0.0004182600000000, 0.0006134600000000 ] - [ 0.0000699000000000, 0.0002707100000000, -0.0008904400000000 ] - [ -0.0006205800000000, -0.0000528400000000, 0.0002424900000000 ] - [ 0.0007144000000000, 0.0004530600000000, 0.0000764500000000 ] - [ -0.0011047600000000, -0.0002151400000000, 0.0001791600000000 ] - [ -0.0001242500000000, 0.0000985100000000, 0.0002494300000000 ] - [ 0.0009297800000000, -0.0007079900000000, -0.0012928200000000 ] - [ -0.0068744500000000, -0.0053557200000000, -0.0128971800000000 ] - [ -0.0009936100000000, 0.0002178100000000, 0.0003365300000000 ] - [ 0.0002013000000000, 0.0000812600000000, -0.0021299500000000 ] - [ -0.0009034900000000, 0.0012237600000000, 0.0000445200000000 ] - [ 0.0003586200000000, -0.0010221800000000, 0.0008541800000000 ] - [ -0.0011152800000000, -0.0005511900000000, 0.0008855300000000 ] - [ 0.0000149200000000, 0.0006092500000000, 0.0009045900000000 ] - [ 0.0008302700000000, 0.0014917000000000, -0.0008719000000000 ] - [ -0.0074629700000000, 0.0029990000000000, -0.0148376900000000 ] - [ -0.0010563800000000, -0.0009886200000000, -0.0003003700000000 ] - [ -0.0008185900000000, 0.0010329400000000, 0.0009646100000000 ] - [ -0.0002395300000000, -0.0016699600000000, -0.0043580300000000 ] - [ 0.0012195000000000, -0.0013389200000000, 0.0005261600000000 ] - [ -0.0031090400000000, 0.0010007700000000, 0.0005759800000000 ] - [ 0.0006142400000000, 0.0004638100000000, 0.0000604500000000 ] - [ -0.0002779000000000, 0.0003559200000000, 0.0000159300000000 ] - [ 0.0005649000000000, 0.0017711100000000, -0.0033476200000000 ] - [ -0.0014045100000000, -0.0011441100000000, 0.0007788000000000 ] - [ 0.0060841800000000, 0.0034018700000000, 0.0078724200000000 ] - [ 0.0027059800000000, -0.0007392900000000, -0.0012681400000000 ] - [ -0.0022586700000000, 0.0004857200000000, 0.0004136600000000 ] - [ 0.0013197900000000, 0.0004593000000000, 0.0000832900000000 ] - [ -0.0044586300000000, -0.0024463400000000, 0.0014481200000000 ] - [ 0.0028186000000000, 0.0002665400000000, -0.0014229900000000 ] - [ 0.0001432000000000, 0.0002163900000000, -0.0001182800000000 ] - [ 0.0004970000000000, -0.0002164000000000, 0.0019797700000000 ] - [ -0.3542963800000000, -0.0101438500000000, -0.1487177900000000 ] - [ 0.0071777600000000, -0.0001349600000000, -0.0007226100000000 ] - [ 0.0013485000000000, 0.0003409300000000, -0.0017732300000000 ] - [ 0.0008255500000000, 0.0003003300000000, 0.0022796300000000 ] - [ -0.0004277800000000, -0.0002735200000000, -0.0005845000000000 ] - [ 0.0004292500000000, -0.0002102100000000, -0.0018972400000000 ] - [ -0.0009316400000000, 0.0004186300000000, 0.0020784700000000 ] - [ 0.0009104500000000, -0.0000135600000000, 0.0006766800000000 ] - [ 0.0057138800000000, -0.0025819000000000, 0.0083770800000000 ] - [ 0.0037484200000000, -0.0002563700000000, -0.0015812700000000 ] - [ -0.0016518700000000, 0.0000031900000000, 0.0010767400000000 ] - [ 0.0011147100000000, 0.0002043200000000, 0.0001699400000000 ] - [ -0.0030872900000000, 0.0005312600000000, 0.0003742500000000 ] - [ 0.0028997600000000, -0.0011186500000000, -0.0016503000000000 ] - [ 0.0000993700000000, -0.0010283800000000, -0.0010440100000000 ] - [ 0.0010987400000000, 0.0021226500000000, 0.0025749700000000 ] - [ -0.0002950200000000, 0.0000357900000000, 0.0007073300000000 ] - [ 0.0000875600000000, 0.0001717000000000, -0.0000105200000000 ] - [ -0.0014925700000000, -0.0002554900000000, -0.0004724100000000 ] - [ 0.0009313100000000, 0.0003309000000000, 0.0001229200000000 ] - [ -0.0008363900000000, 0.0001387900000000, -0.0001127300000000 ] - [ 0.0009488100000000, 0.0001779600000000, 0.0003493000000000 ] - [ 0.0029294600000000, -0.0031850300000000, -0.0002133200000000 ] - [ 0.0015373900000000, 0.0024146700000000, 0.0000599800000000 ] - [ -0.0004063200000000, -0.0000748500000000, 0.0010962900000000 ] - [ 0.0002772300000000, -0.0007103600000000, 0.0003476600000000 ] - [ -0.0022724900000000, 0.0005927400000000, -0.0009193000000000 ] - [ 0.0016397000000000, -0.0000971700000000, 0.0000152000000000 ] - [ -0.0066579700000000, -0.0009602900000000, -0.0026315400000000 ] - [ 0.0024650800000000, -0.0004406200000000, 0.0004138400000000 ] - [ 0.0044793000000000, 0.0057987300000000, -0.0015170100000000 ] - [ -0.0032419200000000, 0.0024151100000000, 0.0002310700000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008817200000000, 0.0011145600000000, 0.0023366700000000 ] - [ -0.0004528800000000, -0.0001035300000000, 0.0004612800000000 ] - [ 0.0001570300000000, -0.0003879700000000, -0.0003653400000000 ] - [ -0.0001057400000000, -0.0002357800000000, -0.0001931700000000 ] - [ -0.0015028700000000, 0.0026365000000000, -0.0000907600000000 ] - [ 0.0005786700000000, 0.0003928600000000, -0.0000611400000000 ] - [ -0.0001055000000000, 0.0002915800000000, -0.0001061400000000 ] - [ -0.0000626300000000, 0.0016664000000000, -0.0013519600000000 ] - [ 0.0023015500000000, 0.0002579500000000, 0.0003230800000000 ] - [ -0.0021776800000000, -0.0003503300000000, 0.0015126200000000 ] - [ 0.0000141300000000, -0.0004428800000000, 0.0006192700000000 ] - [ -0.0004748300000000, -0.0001691400000000, 0.0001537000000000 ] - [ -0.0012227800000000, 0.0027257000000000, -0.0000759100000000 ] - [ 0.0005047000000000, 0.0002838700000000, 0.0001124200000000 ] - [ 0.0007616800000000, 0.0003643600000000, -0.0001888100000000 ] - [ 0.0005170700000000, 0.0005774600000000, -0.0003993700000000 ] - [ -0.0061943500000000, -0.0598598600000000, -0.0046891800000000 ] - [ -0.0003177000000000, -0.0003449500000000, -0.0004403900000000 ] - [ -0.0006094700000000, -0.0005036200000000, 0.0003930200000000 ] - [ -0.0008031300000000, -0.0005043100000000, -0.0003012700000000 ] - [ 0.0004299600000000, 0.0005693100000000, 0.0003426600000000 ] - [ 0.0005229800000000, 0.0005441300000000, 0.0004678800000000 ] - [ 0.0004233700000000, 0.0005156900000000, -0.0004370400000000 ] - [ 0.0004557400000000, 0.0002613400000000, -0.0004520100000000 ] - [ -0.0014214000000000, -0.0139677300000000, 0.0005368900000000 ] - [ -0.0000951100000000, -0.0022296400000000, 0.0003732600000000 ] - [ -0.0005545200000000, -0.0007832500000000, -0.0023090500000000 ] - [ -0.0003822200000000, -0.0001566300000000, -0.0003381400000000 ] - [ 0.0003144000000000, 0.0008592300000000, -0.0003539500000000 ] - [ 0.0002791900000000, 0.0003486900000000, -0.0002180400000000 ] - [ 0.0002703500000000, 0.0003789700000000, 0.0001949000000000 ] - [ 0.0004227400000000, 0.0004712700000000, 0.0002183000000000 ] - [ -0.0025717700000000, 0.0002459700000000, -0.0006261500000000 ] - [ 0.0017730300000000, -0.0005391900000000, -0.0027244100000000 ] - [ -0.0002755300000000, -0.0001767300000000, 0.0000994900000000 ] - [ -0.0003303200000000, -0.0001949800000000, 0.0001429800000000 ] - [ 0.0015111600000000, 0.0022707400000000, 0.0002494600000000 ] - [ 0.0000522200000000, 0.0004305700000000, 0.0003446800000000 ] - [ -0.0002612400000000, 0.0002861800000000, 0.0000538000000000 ] - [ 0.0010496200000000, 0.0001668500000000, 0.0004740300000000 ] - [ -0.0001752200000000, 0.0005735800000000, 0.0002764600000000 ] - [ 0.0000122600000000, 0.0018255500000000, 0.0004816500000000 ] - [ -0.0000775400000000, 0.0036955500000000, -0.0000130200000000 ] - [ -0.0000935300000000, 0.0015089800000000, -0.0000684700000000 ] - [ 0.0001693800000000, -0.0008968100000000, -0.0001221600000000 ] - [ 0.0000872200000000, -0.0005365900000000, -0.0001284500000000 ] - [ 0.0002127600000000, -0.0056965600000000, 0.0005942500000000 ] - [ 0.0001626200000000, -0.0018317200000000, 0.0003392100000000 ] - [ -0.0001902600000000, 0.0008494700000000, -0.0005211400000000 ] - [ -0.0002814900000000, 0.0002663200000000, -0.0001279000000000 ] - [ -0.0013632700000000, 0.0017414700000000, -0.0012045200000000 ] - [ -0.0002588300000000, 0.0008712500000000, -0.0003738900000000 ] - [ 0.0003930700000000, -0.0003724000000000, -0.0002129100000000 ] - [ 0.0005612200000000, -0.0010207300000000, -0.0008273200000000 ] - [ 0.0211738500000000, 0.0047135900000000, 0.0207889500000000 ] - [ -0.0000799200000000, -0.0007614200000000, -0.0003537000000000 ] - [ -0.0007060400000000, 0.0018534900000000, 0.0005739100000000 ] - [ -0.0006755000000000, 0.0010759200000000, -0.0003764900000000 ] - [ 0.0000841400000000, 0.0005332100000000, 0.0012156800000000 ] - [ -0.0005587500000000, -0.0000569100000000, 0.0010605700000000 ] - [ 0.0004307700000000, 0.0006677200000000, 0.0006749700000000 ] - [ 0.0004151000000000, 0.0008841000000000, 0.0001046100000000 ] - [ -0.0174573200000000, 0.0004835700000000, -0.0195436500000000 ] - [ 0.0010117300000000, -0.0015950300000000, -0.0000684200000000 ] - [ -0.0004037400000000, 0.0003485200000000, -0.0003737900000000 ] - [ 0.0007802600000000, 0.0021105600000000, 0.0032120600000000 ] - [ 0.0005578100000000, 0.0013951500000000, 0.0001309000000000 ] - [ -0.0023948700000000, 0.0010584000000000, 0.0004908100000000 ] - [ 0.0001333500000000, 0.0003835100000000, 0.0005201100000000 ] - [ 0.0002897400000000, 0.0003259700000000, 0.0005932800000000 ] - [ -0.0005822300000000, 0.0001806400000000, -0.0024969500000000 ] - [ 0.0010380800000000, -0.0003372700000000, -0.0007874700000000 ] - [ -0.0076787300000000, 0.0011023800000000, -0.0081588800000000 ] - [ 0.0019832800000000, 0.0014553100000000, -0.0009793800000000 ] - [ -0.0009362300000000, 0.0016979500000000, -0.0001392400000000 ] - [ -0.0001715400000000, 0.0009993800000000, -0.0002810600000000 ] - [ 0.0022860200000000, -0.0057595500000000, -0.0004798500000000 ] - [ -0.0002530900000000, -0.0018779800000000, -0.0002801200000000 ] - [ -0.0000755800000000, -0.0005867000000000, 0.0003253100000000 ] - [ 0.0004590800000000, -0.0022714300000000, 0.0010695700000000 ] - [ 0.0097190500000000, 0.0524739600000000, 0.0073376600000000 ] - [ -0.0000569800000000, 0.0011579100000000, 0.0008578800000000 ] - [ 0.0001611800000000, 0.0006549500000000, -0.0007213100000000 ] - [ 0.0006146400000000, 0.0012377800000000, 0.0007555300000000 ] - [ 0.0000509400000000, -0.0029351500000000, -0.0005027000000000 ] - [ -0.0000288800000000, -0.0017162800000000, -0.0008850300000000 ] - [ -0.0000597500000000, -0.0010104500000000, 0.0006855300000000 ] - [ 0.0000417300000000, -0.0002493800000000, 0.0008777200000000 ] - [ 0.0063058200000000, 0.0027740900000000, 0.0071259500000000 ] - [ -0.0027818900000000, 0.0018680500000000, 0.0008375200000000 ] - [ -0.0002209500000000, 0.0006480600000000, 0.0001277000000000 ] - [ -0.0001402900000000, 0.0005649100000000, -0.0002232600000000 ] - [ -0.0015389000000000, -0.0049444700000000, 0.0003714500000000 ] - [ 0.0006833900000000, -0.0020942300000000, -0.0010513800000000 ] - [ 0.0009598900000000, -0.0004283800000000, 0.0000630900000000 ] - [ -0.0010604200000000, -0.0027354700000000, -0.0017943200000000 ] - [ -0.0000407800000000, 0.0001421300000000, 0.0002565000000000 ] - [ -0.0002151100000000, 0.0002297700000000, 0.0000390600000000 ] - [ 0.0001343000000000, -0.0009866100000000, -0.0006734700000000 ] - [ -0.0003857600000000, -0.0005861400000000, -0.0001907600000000 ] - [ -0.0001491600000000, 0.0000124200000000, 0.0005265700000000 ] - [ 0.0003768200000000, 0.0001291900000000, 0.0003140800000000 ] - [ 0.0006413000000000, 0.0000960100000000, -0.0001787200000000 ] - [ -0.0000125400000000, 0.0013445200000000, -0.0005757200000000 ] - [ -0.0002361200000000, -0.0014421200000000, 0.0000026000000000 ] - [ -0.0000505600000000, -0.0010782600000000, 0.0002764900000000 ] - [ -0.0004331000000000, -0.0005932000000000, 0.0009190600000000 ] - [ 0.0001100100000000, 0.0000560400000000, -0.0001960300000000 ] - [ 0.0002630700000000, 0.0022113900000000, -0.0025827800000000 ] - [ -0.0001316400000000, 0.0002252100000000, -0.0005409500000000 ] - [ -0.0006612100000000, 0.0010786800000000, 0.0009592400000000 ] - [ -0.0029858300000000, 0.0081849700000000, -0.0004389000000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007600700000000, -0.0011915200000000, -0.0022613000000000 ] - [ 0.0005676500000000, 0.0000285100000000, -0.0003824200000000 ] - [ -0.0000364200000000, 0.0004632600000000, 0.0002857200000000 ] - [ 0.0002211600000000, 0.0003102500000000, 0.0001131000000000 ] - [ 0.0014086400000000, -0.0027247100000000, 0.0000130200000000 ] - [ -0.0006915300000000, -0.0004643300000000, -0.0000128600000000 ] - [ -0.0000140100000000, -0.0002170900000000, 0.0001856200000000 ] - [ -0.0000544000000000, -0.0015782900000000, 0.0014165300000000 ] - [ -0.0033715700000000, -0.0003694700000000, -0.0007091100000000 ] - [ 0.0011016900000000, 0.0002414500000000, -0.0018766700000000 ] - [ -0.0010799000000000, 0.0005464400000000, -0.0002436400000000 ] - [ -0.0005987800000000, 0.0002754700000000, 0.0002223400000000 ] - [ 0.0023081000000000, -0.0028499700000000, 0.0004598800000000 ] - [ 0.0005590100000000, -0.0003845600000000, 0.0002650000000000 ] - [ 0.0003102900000000, -0.0002567100000000, -0.0001885800000000 ] - [ 0.0005499700000000, -0.0004696800000000, 0.0000184100000000 ] - [ 0.0077839800000000, 0.0597191000000000, 0.0047781800000000 ] - [ -0.0006486200000000, 0.0002165500000000, -0.0004180500000000 ] - [ -0.0003391600000000, 0.0006275100000000, 0.0004710900000000 ] - [ -0.0001476900000000, 0.0006268000000000, 0.0011495900000000 ] - [ 0.0005210200000000, -0.0006946800000000, 0.0005164000000000 ] - [ 0.0004238000000000, -0.0006679200000000, 0.0003897800000000 ] - [ 0.0005286600000000, -0.0003878900000000, -0.0004225500000000 ] - [ 0.0004898500000000, -0.0001342000000000, -0.0004049900000000 ] - [ 0.0006564000000000, 0.0138016200000000, -0.0001217900000000 ] - [ -0.0005437700000000, 0.0020776300000000, 0.0001210100000000 ] - [ -0.0000631500000000, 0.0009266300000000, 0.0018027800000000 ] - [ -0.0002392000000000, 0.0003024900000000, -0.0001477000000000 ] - [ 0.0003059400000000, -0.0010040100000000, -0.0001319700000000 ] - [ 0.0003357800000000, -0.0004921400000000, -0.0002690000000000 ] - [ 0.0003461300000000, -0.0002304200000000, 0.0002932200000000 ] - [ 0.0001954600000000, -0.0003238600000000, 0.0002683100000000 ] - [ 0.0019718000000000, 0.0000161900000000, 0.0003447400000000 ] - [ -0.0023718600000000, 0.0007985200000000, 0.0024767000000000 ] - [ -0.0003152200000000, -0.0000801700000000, 0.0001624800000000 ] - [ -0.0002661400000000, -0.0000629300000000, 0.0001205500000000 ] - [ -0.0009053800000000, -0.0020022000000000, 0.0000213100000000 ] - [ 0.0005304800000000, -0.0001754600000000, -0.0000755700000000 ] - [ 0.0008564000000000, -0.0005423000000000, -0.0003174900000000 ] - [ -0.0004609900000000, -0.0004236700000000, -0.0007416300000000 ] - [ 0.0000099800000000, -0.0006979800000000, 0.0001494600000000 ] - [ -0.0001798300000000, -0.0019503400000000, -0.0000580300000000 ] - [ -0.0000847500000000, -0.0035623300000000, -0.0004139900000000 ] - [ -0.0000753500000000, -0.0013697000000000, -0.0003536800000000 ] - [ -0.0000011800000000, 0.0007664500000000, -0.0003050100000000 ] - [ 0.0000775600000000, 0.0004064700000000, -0.0002972200000000 ] - [ -0.0000410400000000, 0.0058141600000000, -0.0001622500000000 ] - [ 0.0000009200000000, 0.0019573400000000, 0.0000859100000000 ] - [ -0.0005581000000000, -0.0009609800000000, 0.0006069100000000 ] - [ -0.0004694400000000, -0.0003807300000000, 0.0002198300000000 ] - [ 0.0006192500000000, -0.0016238600000000, 0.0011188800000000 ] - [ -0.0004947300000000, -0.0007500700000000, 0.0002800200000000 ] - [ 0.0003563400000000, 0.0002558000000000, 0.0001202000000000 ] - [ 0.0001928700000000, 0.0008997000000000, 0.0007260500000000 ] - [ -0.0203019200000000, -0.0045582700000000, -0.0205072400000000 ] - [ 0.0008244100000000, 0.0008745500000000, 0.0004457500000000 ] - [ -0.0002764100000000, -0.0001063600000000, -0.0016197400000000 ] - [ -0.0003111700000000, 0.0006750100000000, -0.0006608000000000 ] - [ -0.0010605500000000, -0.0022785400000000, -0.0001665800000000 ] - [ -0.0004299800000000, -0.0016849800000000, -0.0000145500000000 ] - [ 0.0005525400000000, 0.0010789500000000, 0.0003681400000000 ] - [ 0.0005711100000000, 0.0008672100000000, 0.0009296400000000 ] - [ 0.0184680100000000, -0.0022248400000000, 0.0185924700000000 ] - [ -0.0000321100000000, -0.0001549800000000, -0.0009730300000000 ] - [ -0.0000129100000000, 0.0004130300000000, -0.0002446900000000 ] - [ -0.0011992800000000, -0.0013633200000000, -0.0038643600000000 ] - [ -0.0009589400000000, -0.0021445200000000, 0.0004967600000000 ] - [ 0.0019513200000000, -0.0017984900000000, 0.0001398900000000 ] - [ 0.0002828200000000, 0.0003734100000000, 0.0001060700000000 ] - [ 0.0001235200000000, 0.0004301000000000, 0.0000332800000000 ] - [ 0.0009993200000000, -0.0009328400000000, 0.0018586500000000 ] - [ -0.0006265500000000, -0.0004199600000000, 0.0001589200000000 ] - [ 0.0073866000000000, -0.0017146500000000, 0.0088681500000000 ] - [ -0.0022915500000000, -0.0020754700000000, 0.0016236100000000 ] - [ 0.0006085300000000, -0.0010695800000000, -0.0005031400000000 ] - [ -0.0001421300000000, -0.0003714600000000, -0.0003647500000000 ] - [ -0.0019848000000000, 0.0051373200000000, -0.0001733200000000 ] - [ 0.0005792900000000, 0.0012423700000000, -0.0003701300000000 ] - [ 0.0003918700000000, 0.0012094500000000, 0.0003227000000000 ] - [ -0.0001356900000000, 0.0028845100000000, -0.0004078100000000 ] - [ -0.0119600500000000, -0.0531342800000000, -0.0068613900000000 ] - [ 0.0000768600000000, -0.0015826000000000, 0.0007548800000000 ] - [ -0.0001636500000000, -0.0002215800000000, -0.0008957500000000 ] - [ -0.0006188900000000, -0.0008033000000000, -0.0023496600000000 ] - [ -0.0000495900000000, 0.0025012700000000, -0.0011168600000000 ] - [ 0.0000392400000000, 0.0012771700000000, -0.0007311100000000 ] - [ 0.0000626200000000, 0.0014397600000000, 0.0009343500000000 ] - [ -0.0000317400000000, 0.0006782200000000, 0.0007358000000000 ] - [ -0.0065982200000000, -0.0029165600000000, -0.0069772400000000 ] - [ 0.0024491400000000, -0.0020149600000000, -0.0007694500000000 ] - [ -0.0001205400000000, -0.0004952600000000, -0.0001834300000000 ] - [ -0.0001902100000000, -0.0004119200000000, 0.0001624600000000 ] - [ 0.0018518700000000, 0.0047786500000000, -0.0004376200000000 ] - [ -0.0003315600000000, 0.0019281900000000, 0.0009746300000000 ] - [ -0.0006282900000000, 0.0005707800000000, -0.0000064500000000 ] - [ 0.0013998800000000, 0.0028894500000000, 0.0018619100000000 ] - [ -0.0002610600000000, 0.0002268300000000, -0.0001968700000000 ] - [ -0.0000835900000000, 0.0001399500000000, 0.0000184900000000 ] - [ -0.0004393100000000, 0.0006182600000000, 0.0006110600000000 ] - [ 0.0000881800000000, 0.0002196900000000, 0.0001345700000000 ] - [ 0.0004458300000000, 0.0003545600000000, -0.0005783500000000 ] - [ -0.0000704300000000, 0.0002385300000000, -0.0003664500000000 ] - [ -0.0003310600000000, -0.0004806400000000, 0.0002335400000000 ] - [ 0.0002171500000000, -0.0018044700000000, 0.0006388700000000 ] - [ 0.0000249800000000, 0.0002639100000000, 0.0007020000000000 ] - [ -0.0001563000000000, -0.0001018500000000, 0.0004267400000000 ] - [ 0.0002178700000000, 0.0017677800000000, -0.0016228000000000 ] - [ -0.0003127800000000, 0.0011176700000000, -0.0005020200000000 ] - [ -0.0000670500000000, -0.0034055800000000, 0.0018438300000000 ] - [ 0.0003507900000000, -0.0014014700000000, -0.0001628500000000 ] - [ 0.0008882600000000, 0.0001393400000000, -0.0002687000000000 ] - [ 0.0029094800000000, -0.0067173300000000, 0.0010324300000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0003691800000000, 0.0024995900000000, 0.0030212700000000 ] - [ -0.0000923300000000, 0.0000597600000000, 0.0003104500000000 ] - [ 0.0001133000000000, 0.0004362000000000, 0.0010714900000000 ] - [ 0.0004743200000000, 0.0002782400000000, 0.0007181300000000 ] - [ -0.0005157300000000, 0.0014390300000000, -0.0019090900000000 ] - [ 0.0002799100000000, 0.0002612100000000, -0.0004782600000000 ] - [ -0.0000495800000000, 0.0000683400000000, 0.0000036000000000 ] - [ -0.0000273800000000, -0.0004848100000000, 0.0004298800000000 ] - [ 0.0040766200000000, 0.0013374400000000, -0.0002413100000000 ] - [ -0.0015924800000000, 0.0004594200000000, -0.0005140100000000 ] - [ -0.0003399500000000, 0.0001659000000000, 0.0021616500000000 ] - [ -0.0002314900000000, 0.0000712600000000, 0.0007190600000000 ] - [ 0.0003594200000000, -0.0001652200000000, -0.0009235300000000 ] - [ 0.0009744300000000, -0.0001704400000000, -0.0002859100000000 ] - [ 0.0004684700000000, 0.0000524900000000, 0.0001110100000000 ] - [ 0.0007987200000000, 0.0000672700000000, 0.0002115000000000 ] - [ -0.1884121500000000, -0.0048679900000000, -0.1563025800000000 ] - [ -0.0000585300000000, -0.0000744700000000, -0.0009329500000000 ] - [ -0.0017441800000000, -0.0006597700000000, 0.0009681500000000 ] - [ 0.0007873700000000, 0.0000243700000000, 0.0009655200000000 ] - [ 0.0004752000000000, 0.0000235700000000, 0.0003151300000000 ] - [ 0.0002333900000000, -0.0001023200000000, 0.0002832600000000 ] - [ -0.0000363600000000, 0.0000695200000000, 0.0002491900000000 ] - [ 0.0005731700000000, 0.0000862600000000, -0.0000757200000000 ] - [ -0.0127691500000000, 0.0001157700000000, -0.0100031600000000 ] - [ 0.0009878800000000, 0.0000778800000000, -0.0008143100000000 ] - [ 0.0023074700000000, -0.0017710100000000, 0.0045505600000000 ] - [ -0.0005548700000000, 0.0000111700000000, -0.0001509900000000 ] - [ 0.0003264700000000, 0.0000357300000000, -0.0003733300000000 ] - [ 0.0005065000000000, -0.0001428100000000, -0.0004127600000000 ] - [ 0.0006472600000000, 0.0000554000000000, 0.0007864400000000 ] - [ 0.0003465800000000, 0.0001391300000000, 0.0008911000000000 ] - [ 0.0043722900000000, -0.0013918700000000, 0.0000769800000000 ] - [ -0.0014237800000000, -0.0002397700000000, -0.0001034200000000 ] - [ -0.0005379400000000, -0.0003174900000000, 0.0010986500000000 ] - [ 0.0000066100000000, -0.0001226800000000, 0.0006312400000000 ] - [ -0.0000908000000000, 0.0001258200000000, -0.0010545100000000 ] - [ 0.0008435700000000, 0.0002199700000000, -0.0006322200000000 ] - [ -0.0014214500000000, 0.0012936000000000, 0.0004127500000000 ] - [ 0.0009911500000000, 0.0000570500000000, 0.0005843000000000 ] - [ -0.0002990400000000, 0.0003861700000000, 0.0001148600000000 ] - [ 0.0000600200000000, 0.0006742400000000, 0.0005106600000000 ] - [ -0.0000186600000000, 0.0002428600000000, -0.0007938700000000 ] - [ 0.0000846200000000, -0.0000475400000000, -0.0005493000000000 ] - [ -0.0000667800000000, -0.0003159200000000, 0.0007036600000000 ] - [ 0.0002069000000000, -0.0000610800000000, 0.0003102400000000 ] - [ 0.0020699200000000, 0.0002465200000000, 0.0026550100000000 ] - [ -0.0001473600000000, 0.0000620100000000, 0.0002804700000000 ] - [ -0.0005780400000000, -0.0002232300000000, 0.0007203900000000 ] - [ -0.0004458500000000, -0.0001308500000000, 0.0004189200000000 ] - [ -0.0008021900000000, 0.0002166000000000, -0.0010675400000000 ] - [ -0.0004031300000000, 0.0001809800000000, -0.0004689200000000 ] - [ -0.0000332900000000, 0.0002108000000000, 0.0007696100000000 ] - [ 0.0003572400000000, 0.0007439100000000, 0.0017076600000000 ] - [ 0.0237969100000000, 0.0121231100000000, 0.0165906900000000 ] - [ 0.0002234800000000, -0.0003417600000000, -0.0007092000000000 ] - [ -0.0006974800000000, 0.0016264000000000, 0.0007176300000000 ] - [ -0.0009596300000000, 0.0011695600000000, 0.0000545600000000 ] - [ -0.0009461400000000, -0.0008108400000000, -0.0004044600000000 ] - [ -0.0005210900000000, -0.0010743400000000, -0.0000376800000000 ] - [ 0.0001167100000000, 0.0005344600000000, 0.0014180700000000 ] - [ 0.0004822100000000, -0.0001766700000000, 0.0027775500000000 ] - [ 0.0256294900000000, -0.0104295500000000, 0.0189219800000000 ] - [ 0.0003391000000000, -0.0005794800000000, -0.0012499700000000 ] - [ -0.0004978300000000, 0.0005221000000000, -0.0004525700000000 ] - [ 0.0012947200000000, 0.0023475800000000, 0.0011237100000000 ] - [ -0.0004198700000000, -0.0010937100000000, -0.0008735000000000 ] - [ 0.0009893200000000, -0.0010864700000000, -0.0001240100000000 ] - [ 0.0001095900000000, 0.0000495900000000, 0.0013509400000000 ] - [ 0.0005563700000000, 0.0002317500000000, 0.0011196500000000 ] - [ 0.0006304300000000, -0.0025651100000000, 0.0033495900000000 ] - [ 0.0000321400000000, -0.0004286900000000, 0.0000311500000000 ] - [ -0.0089608600000000, -0.0034261000000000, -0.0092475600000000 ] - [ 0.0008965800000000, -0.0001787500000000, 0.0002870300000000 ] - [ -0.0000158600000000, 0.0002036900000000, -0.0030816700000000 ] - [ -0.0004131800000000, 0.0000403600000000, -0.0018687200000000 ] - [ 0.0001132900000000, -0.0008210600000000, 0.0025415800000000 ] - [ -0.0003399500000000, -0.0005474200000000, 0.0006542800000000 ] - [ 0.0003523400000000, 0.0000702300000000, -0.0000099000000000 ] - [ -0.0000415700000000, 0.0004653200000000, -0.0006324800000000 ] - [ 0.1569848500000000, 0.0061595200000000, 0.1353919300000000 ] - [ -0.0011173500000000, -0.0001879100000000, 0.0027619500000000 ] - [ 0.0013112400000000, 0.0003324500000000, -0.0022276700000000 ] - [ -0.0037902700000000, 0.0003196000000000, -0.0045936600000000 ] - [ -0.0000849200000000, -0.0004207500000000, -0.0002880200000000 ] - [ 0.0000978100000000, -0.0001801600000000, -0.0000561600000000 ] - [ 0.0004125400000000, -0.0002210300000000, -0.0008925200000000 ] - [ -0.0002821300000000, -0.0000034500000000, -0.0002893000000000 ] - [ -0.0097618200000000, 0.0020975400000000, -0.0104707900000000 ] - [ 0.0010289500000000, -0.0001428200000000, -0.0001291200000000 ] - [ 0.0007357300000000, 0.0005012300000000, -0.0023999100000000 ] - [ -0.0005319800000000, 0.0002450700000000, -0.0013662400000000 ] - [ 0.0004034400000000, 0.0000092500000000, 0.0023058900000000 ] - [ -0.0006414400000000, 0.0005014900000000, 0.0012806700000000 ] - [ 0.0017398300000000, -0.0004758900000000, 0.0003824600000000 ] - [ -0.0008469500000000, -0.0017522000000000, -0.0017783800000000 ] - [ -0.0000643800000000, 0.0001959300000000, -0.0014366200000000 ] - [ -0.0002947400000000, 0.0002091300000000, -0.0004208600000000 ] - [ 0.0006001000000000, -0.0009666200000000, -0.0001405700000000 ] - [ -0.0008177800000000, -0.0007925400000000, -0.0001263900000000 ] - [ 0.0006364400000000, 0.0009170300000000, -0.0003051500000000 ] - [ -0.0001247300000000, 0.0003203800000000, -0.0001714100000000 ] - [ 0.0000684900000000, -0.0002681400000000, 0.0012628100000000 ] - [ -0.0006516100000000, -0.0015544400000000, 0.0012582100000000 ] - [ -0.0000892100000000, -0.0011923900000000, -0.0009874200000000 ] - [ -0.0002618800000000, -0.0006695500000000, -0.0002987500000000 ] - [ 0.0011276900000000, 0.0018065700000000, -0.0010981500000000 ] - [ -0.0010057900000000, 0.0012908500000000, -0.0007503100000000 ] - [ 0.0024609100000000, -0.0035922200000000, -0.0027681900000000 ] - [ -0.0005988400000000, -0.0007395400000000, -0.0003146900000000 ] - [ 0.0001062300000000, 0.0009603000000000, 0.0021245400000000 ] - [ 0.0000968700000000, 0.0002629300000000, 0.0036200200000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0002498100000000, -0.0025712500000000, -0.0029359600000000 ] - [ 0.0002126500000000, -0.0001377000000000, -0.0002364200000000 ] - [ 0.0000029500000000, -0.0003621500000000, -0.0011515600000000 ] - [ -0.0003544900000000, -0.0002021200000000, -0.0007962200000000 ] - [ 0.0004033900000000, -0.0015089000000000, 0.0018395300000000 ] - [ -0.0003999000000000, -0.0003386500000000, 0.0004043100000000 ] - [ -0.0000694200000000, 0.0000043400000000, 0.0000782800000000 ] - [ -0.0000923500000000, 0.0005609900000000, -0.0003514800000000 ] - [ -0.0051201500000000, -0.0014424700000000, -0.0001422100000000 ] - [ 0.0005223000000000, -0.0005652700000000, 0.0001355300000000 ] - [ -0.0007357600000000, -0.0000592700000000, -0.0017952000000000 ] - [ -0.0008406000000000, 0.0000351400000000, -0.0003424700000000 ] - [ 0.0007122900000000, 0.0000595900000000, 0.0012957800000000 ] - [ 0.0000944200000000, 0.0000656800000000, 0.0006608600000000 ] - [ 0.0006042500000000, 0.0000528400000000, -0.0004849500000000 ] - [ 0.0002716900000000, 0.0000379300000000, -0.0005871900000000 ] - [ 0.1820549000000000, 0.0046028900000000, 0.1548253400000000 ] - [ -0.0009029000000000, -0.0000520100000000, 0.0000746600000000 ] - [ 0.0008027600000000, 0.0007907900000000, -0.0001043800000000 ] - [ -0.0017418200000000, 0.0001022100000000, -0.0001069600000000 ] - [ 0.0004723600000000, -0.0001501800000000, 0.0005399200000000 ] - [ 0.0007129200000000, -0.0000242800000000, 0.0005717100000000 ] - [ 0.0009839600000000, 0.0000548800000000, -0.0011067400000000 ] - [ 0.0003738400000000, 0.0000390300000000, -0.0007809300000000 ] - [ 0.0118837800000000, -0.0002706800000000, 0.0104446200000000 ] - [ -0.0016187500000000, -0.0002220300000000, 0.0013064400000000 ] - [ -0.0029482300000000, 0.0019382900000000, -0.0050822500000000 ] - [ -0.0000624300000000, 0.0001356300000000, -0.0003316100000000 ] - [ 0.0002939300000000, -0.0001823600000000, -0.0001168100000000 ] - [ 0.0001119900000000, -0.0000035800000000, -0.0000764700000000 ] - [ -0.0000274200000000, 0.0000902900000000, -0.0002980300000000 ] - [ 0.0002713900000000, 0.0000061700000000, -0.0004038200000000 ] - [ -0.0049257700000000, 0.0016457300000000, -0.0003509800000000 ] - [ 0.0008255600000000, 0.0004949800000000, -0.0001596000000000 ] - [ -0.0000546700000000, 0.0000621900000000, -0.0008366600000000 ] - [ -0.0006014900000000, -0.0001345900000000, -0.0003681500000000 ] - [ 0.0006868400000000, 0.0001292700000000, 0.0013156100000000 ] - [ -0.0002538000000000, 0.0000335000000000, 0.0008932200000000 ] - [ 0.0020376000000000, -0.0015674700000000, -0.0006771200000000 ] - [ -0.0004001200000000, -0.0003150800000000, -0.0008491100000000 ] - [ 0.0001360800000000, -0.0005189600000000, 0.0003164200000000 ] - [ -0.0002268400000000, -0.0008086700000000, -0.0000830500000000 ] - [ -0.0001466000000000, -0.0001138700000000, 0.0003653800000000 ] - [ -0.0002514900000000, 0.0001763700000000, 0.0001230200000000 ] - [ 0.0002321700000000, 0.0001909600000000, -0.0011328500000000 ] - [ -0.0000406600000000, -0.0000669500000000, -0.0007378600000000 ] - [ -0.0018974000000000, -0.0001084300000000, -0.0022225200000000 ] - [ 0.0003130200000000, 0.0000677700000000, 0.0001446400000000 ] - [ -0.0001702500000000, 0.0001039000000000, -0.0006267500000000 ] - [ -0.0003025300000000, 0.0000115200000000, -0.0003240200000000 ] - [ 0.0000538800000000, -0.0000995500000000, 0.0009730500000000 ] - [ -0.0003462700000000, -0.0000625300000000, 0.0003754700000000 ] - [ 0.0007826300000000, -0.0003272900000000, -0.0008618500000000 ] - [ 0.0003874400000000, -0.0008634600000000, -0.0018044200000000 ] - [ -0.0227776700000000, -0.0117660400000000, -0.0163741200000000 ] - [ 0.0005221500000000, 0.0004587300000000, 0.0008008600000000 ] - [ -0.0002854300000000, 0.0001215500000000, -0.0017594300000000 ] - [ -0.0000188100000000, 0.0005814900000000, -0.0010918700000000 ] - [ -0.0000357300000000, -0.0009414700000000, 0.0014418100000000 ] - [ -0.0004634700000000, -0.0006764900000000, 0.0010770400000000 ] - [ 0.0008662800000000, 0.0012165500000000, -0.0003768300000000 ] - [ 0.0004968400000000, 0.0019339400000000, -0.0017454000000000 ] - [ -0.0242963200000000, 0.0084424200000000, -0.0197295500000000 ] - [ 0.0006391300000000, -0.0011704700000000, 0.0002061200000000 ] - [ 0.0000842800000000, 0.0002369700000000, -0.0001638600000000 ] - [ -0.0017212000000000, -0.0016075800000000, -0.0017612800000000 ] - [ 0.0000075400000000, 0.0003347400000000, 0.0015063500000000 ] - [ -0.0014071500000000, 0.0003314000000000, 0.0007551900000000 ] - [ 0.0003060500000000, 0.0007065700000000, -0.0007231100000000 ] - [ -0.0001404300000000, 0.0005221800000000, -0.0004897100000000 ] - [ -0.0002103600000000, 0.0018044500000000, -0.0039610600000000 ] - [ 0.0003840400000000, -0.0003232700000000, -0.0006649000000000 ] - [ 0.0086398400000000, 0.0028142000000000, 0.0098971900000000 ] - [ -0.0012165600000000, -0.0004475800000000, 0.0003673900000000 ] - [ -0.0002967900000000, 0.0004203200000000, 0.0024395800000000 ] - [ 0.0000943400000000, 0.0005836000000000, 0.0012206600000000 ] - [ 0.0002035500000000, 0.0001921900000000, -0.0031809700000000 ] - [ 0.0006633700000000, -0.0000778000000000, -0.0013052300000000 ] - [ -0.0000353000000000, 0.0005593100000000, 0.0006552500000000 ] - [ 0.0003620500000000, 0.0001617000000000, 0.0012816900000000 ] - [ -0.1520972700000000, -0.0064248700000000, -0.1332301300000000 ] - [ 0.0011254500000000, -0.0002440500000000, -0.0011453000000000 ] - [ -0.0013227500000000, 0.0000967000000000, 0.0006098000000000 ] - [ 0.0038020500000000, 0.0001096100000000, 0.0029859500000000 ] - [ 0.0000901800000000, -0.0000097700000000, -0.0013192900000000 ] - [ -0.0000898500000000, -0.0002520200000000, -0.0015529500000000 ] - [ -0.0004053200000000, 0.0006570700000000, 0.0025075000000000 ] - [ 0.0002883400000000, 0.0004374900000000, 0.0019012100000000 ] - [ 0.0094018500000000, -0.0022695700000000, 0.0105123300000000 ] - [ -0.0013635100000000, -0.0000104500000000, 0.0001968700000000 ] - [ -0.0010742300000000, -0.0003565300000000, 0.0023419000000000 ] - [ 0.0001967700000000, -0.0000952100000000, 0.0013039400000000 ] - [ -0.0000679800000000, -0.0001557600000000, -0.0023626400000000 ] - [ 0.0009842200000000, -0.0006518500000000, -0.0013444800000000 ] - [ -0.0014240400000000, 0.0006253300000000, -0.0003374100000000 ] - [ 0.0011874100000000, 0.0019096400000000, 0.0018416000000000 ] - [ -0.0002395000000000, 0.0001755200000000, 0.0014941900000000 ] - [ -0.0000037100000000, 0.0001611700000000, 0.0004784300000000 ] - [ -0.0009008400000000, 0.0005963500000000, 0.0000867000000000 ] - [ 0.0005163200000000, 0.0004221400000000, 0.0000714600000000 ] - [ -0.0003379000000000, -0.0005534600000000, 0.0002466800000000 ] - [ 0.0004284200000000, 0.0000465900000000, 0.0001140400000000 ] - [ 0.0002462500000000, -0.0001197400000000, -0.0012016900000000 ] - [ 0.0009845900000000, 0.0012301700000000, -0.0012200200000000 ] - [ -0.0001213500000000, 0.0000124000000000, 0.0016911300000000 ] - [ 0.0000545800000000, -0.0005099000000000, 0.0010030400000000 ] - [ -0.0013339300000000, -0.0006212100000000, 0.0003992000000000 ] - [ 0.0007960300000000, -0.0001099000000000, 0.0000517700000000 ] - [ -0.0021821300000000, 0.0023481300000000, 0.0018673000000000 ] - [ 0.0008146600000000, -0.0004408300000000, -0.0003923400000000 ] - [ 0.0001237500000000, 0.0002537500000000, -0.0014308600000000 ] - [ 0.0001001300000000, 0.0009183500000000, -0.0029070000000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0021791300000000, -0.0015775200000000, -0.0016325800000000 ] - [ 0.0008983500000000, -0.0002807600000000, -0.0001660300000000 ] - [ 0.0001739000000000, 0.0001142100000000, -0.0002349100000000 ] - [ -0.0000235300000000, -0.0001113800000000, -0.0001824100000000 ] - [ -0.0032255700000000, 0.0000721400000000, 0.0001597500000000 ] - [ 0.0011392600000000, 0.0001901400000000, -0.0000610000000000 ] - [ -0.0001089100000000, 0.0016564000000000, -0.0019080800000000 ] - [ -0.0000578900000000, -0.0004448300000000, 0.0006117300000000 ] - [ -0.0045680300000000, 0.0009956200000000, 0.0035940500000000 ] - [ 0.0011457400000000, -0.0003536500000000, -0.0011204800000000 ] - [ -0.0006275100000000, 0.0000442000000000, 0.0004746700000000 ] - [ -0.0000874100000000, -0.0001017700000000, -0.0000579600000000 ] - [ -0.0008043200000000, 0.0010208600000000, 0.0008422600000000 ] - [ 0.0013549800000000, -0.0001984800000000, 0.0000582400000000 ] - [ -0.0002445800000000, 0.0000493600000000, -0.0008543900000000 ] - [ 0.0010444900000000, 0.0001651300000000, -0.0000089900000000 ] - [ 0.0381660200000000, -0.0011073800000000, -0.0126439200000000 ] - [ 0.0056243300000000, 0.0001628300000000, 0.0008774100000000 ] - [ -0.0008918000000000, 0.0003093200000000, -0.0022029200000000 ] - [ 0.0004499400000000, 0.0001343300000000, 0.0006715000000000 ] - [ -0.0000918300000000, -0.0000669300000000, 0.0004434800000000 ] - [ 0.0010943500000000, -0.0000346400000000, 0.0006263600000000 ] - [ 0.0003046500000000, 0.0001771200000000, -0.0004665900000000 ] - [ 0.0008811000000000, 0.0000250700000000, -0.0007661000000000 ] - [ -0.3372135500000000, -0.0024800700000000, 0.1905442300000000 ] - [ 0.0038490700000000, -0.0001690800000000, -0.0000879500000000 ] - [ 0.0001839300000000, -0.0003399600000000, 0.0011971400000000 ] - [ 0.0001778300000000, -0.0000399400000000, -0.0018349700000000 ] - [ -0.0002608600000000, -0.0001118100000000, -0.0000530900000000 ] - [ 0.0007961500000000, -0.0000486700000000, -0.0001809400000000 ] - [ -0.0000789500000000, 0.0000176900000000, -0.0001997100000000 ] - [ 0.0004664300000000, 0.0002044000000000, 0.0002508100000000 ] - [ -0.0051327500000000, 0.0002017100000000, 0.0059637800000000 ] - [ 0.0015883700000000, 0.0002035400000000, -0.0014163100000000 ] - [ -0.0006857500000000, -0.0003229900000000, -0.0001002500000000 ] - [ 0.0000726900000000, -0.0000001800000000, -0.0001469600000000 ] - [ -0.0007485300000000, -0.0006847400000000, 0.0006033700000000 ] - [ 0.0026521400000000, 0.0016969800000000, 0.0011315300000000 ] - [ -0.0012712500000000, 0.0001166400000000, -0.0008714600000000 ] - [ 0.0011653800000000, -0.0001794200000000, 0.0001936900000000 ] - [ -0.0004720500000000, -0.0004085400000000, -0.0002975900000000 ] - [ 0.0001475700000000, 0.0003740400000000, 0.0004491300000000 ] - [ -0.0006005900000000, 0.0001375700000000, 0.0001822300000000 ] - [ 0.0005029500000000, 0.0003194300000000, -0.0004027500000000 ] - [ 0.0000447300000000, -0.0002816700000000, -0.0003948700000000 ] - [ 0.0002424600000000, -0.0000698100000000, -0.0004535600000000 ] - [ -0.0029182600000000, 0.0006312300000000, -0.0012796100000000 ] - [ 0.0008556400000000, -0.0001445300000000, 0.0002556500000000 ] - [ -0.0003448800000000, -0.0000085700000000, 0.0001669900000000 ] - [ -0.0001949000000000, 0.0002952300000000, -0.0008480000000000 ] - [ -0.0013180100000000, 0.0000934600000000, -0.0000943900000000 ] - [ 0.0004966900000000, 0.0000682500000000, 0.0003576200000000 ] - [ 0.0007393200000000, -0.0006281900000000, -0.0011246000000000 ] - [ 0.0005839000000000, 0.0000670900000000, 0.0001511800000000 ] - [ -0.0061452800000000, -0.0053835500000000, -0.0140594200000000 ] - [ 0.0021718800000000, 0.0006518400000000, 0.0012668400000000 ] - [ -0.0005340900000000, 0.0012733600000000, 0.0000172900000000 ] - [ -0.0002463100000000, 0.0000881800000000, -0.0020578000000000 ] - [ -0.0011900500000000, -0.0009038400000000, 0.0006187300000000 ] - [ 0.0005617800000000, -0.0006773900000000, 0.0010628700000000 ] - [ 0.0009245300000000, 0.0014130400000000, -0.0006596400000000 ] - [ 0.0006714500000000, 0.0005664000000000, 0.0008567600000000 ] - [ -0.0061400700000000, 0.0031902500000000, -0.0149804800000000 ] - [ 0.0022917700000000, -0.0014088000000000, 0.0006923600000000 ] - [ 0.0001635600000000, -0.0017164300000000, -0.0042885600000000 ] - [ 0.0002753900000000, 0.0013395600000000, 0.0011811400000000 ] - [ -0.0022863600000000, -0.0000551600000000, 0.0008251200000000 ] - [ 0.0014241400000000, -0.0007438500000000, 0.0001787400000000 ] - [ 0.0002355600000000, 0.0002518800000000, 0.0001206700000000 ] - [ 0.0001074200000000, 0.0005443600000000, 0.0000386300000000 ] - [ -0.0025852000000000, 0.0006916700000000, -0.0019404000000000 ] - [ 0.0012030600000000, -0.0001405200000000, -0.0006279300000000 ] - [ 0.0142303700000000, 0.0020911600000000, 0.0044767600000000 ] - [ -0.0031285800000000, -0.0003550100000000, 0.0003451800000000 ] - [ -0.0001390900000000, 0.0002422000000000, -0.0001972700000000 ] - [ -0.0008726000000000, 0.0005647200000000, 0.0005764000000000 ] - [ 0.0026327500000000, -0.0009395400000000, -0.0018153800000000 ] - [ -0.0021101400000000, -0.0005975700000000, -0.0001933300000000 ] - [ 0.0011404500000000, -0.0004225400000000, 0.0019480600000000 ] - [ -0.0005098700000000, 0.0003401000000000, -0.0002783100000000 ] - [ 0.2895012600000000, -0.0064135800000000, -0.1543905500000000 ] - [ -0.0068930600000000, -0.0000796800000000, -0.0014169800000000 ] - [ -0.0005953100000000, 0.0002438600000000, 0.0022718600000000 ] - [ -0.0015492000000000, 0.0003750500000000, -0.0017579800000000 ] - [ 0.0010824100000000, -0.0001149100000000, -0.0011324800000000 ] - [ -0.0010157100000000, -0.0004439000000000, -0.0012995600000000 ] - [ 0.0000941800000000, -0.0000901200000000, 0.0006332800000000 ] - [ -0.0001137800000000, 0.0004097500000000, 0.0020212900000000 ] - [ 0.0156224000000000, -0.0026775200000000, 0.0043141800000000 ] - [ -0.0035406900000000, 0.0003095700000000, 0.0000993900000000 ] - [ 0.0002754100000000, 0.0005330500000000, 0.0002120900000000 ] - [ -0.0007765600000000, -0.0001379400000000, 0.0008935000000000 ] - [ 0.0024017500000000, 0.0001816900000000, -0.0012560200000000 ] - [ -0.0028610700000000, -0.0003976900000000, 0.0006166200000000 ] - [ 0.0024558100000000, 0.0023521600000000, 0.0031359900000000 ] - [ -0.0010073200000000, -0.0011233400000000, -0.0012304100000000 ] - [ 0.0003348400000000, 0.0000259600000000, 0.0004804900000000 ] - [ -0.0005306900000000, 0.0001849300000000, 0.0001096600000000 ] - [ -0.0003984900000000, 0.0004176000000000, 0.0002500100000000 ] - [ -0.0002816900000000, -0.0002702500000000, -0.0005127600000000 ] - [ 0.0010159300000000, 0.0002255000000000, -0.0000033200000000 ] - [ -0.0006471500000000, 0.0001043500000000, 0.0001646300000000 ] - [ -0.0002686800000000, 0.0018805900000000, -0.0007679400000000 ] - [ -0.0026038500000000, -0.0031161300000000, -0.0001382800000000 ] - [ 0.0005995000000000, -0.0002665100000000, 0.0009726700000000 ] - [ -0.0007229100000000, -0.0005324300000000, 0.0004531900000000 ] - [ -0.0004281600000000, -0.0004813400000000, 0.0004458600000000 ] - [ -0.0004582200000000, 0.0009506900000000, -0.0010005400000000 ] - [ 0.0072545400000000, -0.0002894600000000, -0.0011166700000000 ] - [ -0.0022799600000000, -0.0003866000000000, 0.0002221100000000 ] - [ 0.0056320900000000, 0.0038643700000000, -0.0005558800000000 ] - [ -0.0041356100000000, 0.0055092800000000, -0.0015378700000000 ]- atom: 25 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0022879200000000, 0.0014923500000000, 0.0017004300000000 ] - [ -0.0007806100000000, 0.0002076000000000, 0.0002470600000000 ] - [ -0.0000497900000000, -0.0000369900000000, 0.0001582700000000 ] - [ 0.0001385700000000, 0.0001852700000000, 0.0001027000000000 ] - [ 0.0031161300000000, -0.0001089900000000, -0.0002438800000000 ] - [ -0.0012601500000000, -0.0002695300000000, -0.0000129100000000 ] - [ -0.0000126800000000, -0.0015669700000000, 0.0019688000000000 ] - [ -0.0000573500000000, 0.0005253800000000, -0.0005391700000000 ] - [ 0.0034765500000000, -0.0010996700000000, -0.0039554200000000 ] - [ -0.0022132600000000, 0.0002529200000000, 0.0007510500000000 ] - [ -0.0004367100000000, 0.0000592300000000, -0.0000884000000000 ] - [ -0.0009857700000000, 0.0002077600000000, 0.0004323000000000 ] - [ 0.0018891500000000, -0.0011287900000000, -0.0004683000000000 ] - [ -0.0003034000000000, 0.0001025400000000, 0.0003161800000000 ] - [ 0.0013083200000000, 0.0000572400000000, 0.0004738600000000 ] - [ 0.0000280700000000, -0.0000583000000000, -0.0003682900000000 ] - [ -0.0402383100000000, 0.0009709700000000, 0.0120122400000000 ] - [ -0.0065391900000000, -0.0002853300000000, -0.0017293200000000 ] - [ -0.0000733600000000, -0.0001820700000000, 0.0030519500000000 ] - [ -0.0013912800000000, -0.0000088300000000, 0.0001790100000000 ] - [ 0.0010335600000000, -0.0000584000000000, 0.0004106000000000 ] - [ -0.0001443000000000, -0.0000908100000000, 0.0002316000000000 ] - [ 0.0006444200000000, -0.0000506700000000, -0.0003913300000000 ] - [ 0.0000644600000000, 0.0001004400000000, -0.0000915500000000 ] - [ 0.3499273600000000, 0.0016682000000000, -0.2018436900000000 ] - [ -0.0044720500000000, 0.0000228200000000, 0.0005791200000000 ] - [ -0.0007961700000000, 0.0004833600000000, -0.0016928100000000 ] - [ -0.0008017300000000, 0.0001860100000000, 0.0013359900000000 ] - [ 0.0008816900000000, -0.0000342900000000, -0.0004376700000000 ] - [ -0.0001766600000000, -0.0000955500000000, -0.0003056500000000 ] - [ 0.0006943500000000, 0.0001290400000000, 0.0006860800000000 ] - [ 0.0001555900000000, -0.0000579700000000, 0.0002377800000000 ] - [ 0.0045235900000000, 0.0000570700000000, -0.0062030100000000 ] - [ -0.0021827000000000, 0.0000492300000000, 0.0011658200000000 ] - [ 0.0000933300000000, 0.0000653100000000, 0.0003618600000000 ] - [ -0.0006680400000000, -0.0002568200000000, 0.0004083200000000 ] - [ 0.0013534600000000, 0.0009443500000000, -0.0003393800000000 ] - [ -0.0020496200000000, -0.0014311900000000, -0.0008563000000000 ] - [ 0.0018544500000000, -0.0003710500000000, 0.0006065400000000 ] - [ -0.0005696100000000, -0.0000794200000000, -0.0004590500000000 ] - [ 0.0003022000000000, 0.0002821600000000, 0.0007240000000000 ] - [ -0.0003127000000000, -0.0005038500000000, -0.0000220500000000 ] - [ 0.0004387100000000, -0.0000015300000000, -0.0006147000000000 ] - [ -0.0006691700000000, -0.0001841300000000, -0.0000234500000000 ] - [ 0.0001243000000000, 0.0001499400000000, -0.0000336800000000 ] - [ -0.0000775700000000, -0.0000600100000000, 0.0000249400000000 ] - [ 0.0030710000000000, -0.0004985800000000, 0.0017006800000000 ] - [ -0.0006893200000000, 0.0002733800000000, 0.0001743300000000 ] - [ -0.0004018200000000, -0.0001065000000000, -0.0000771200000000 ] - [ -0.0005551500000000, -0.0004079700000000, 0.0009352500000000 ] - [ 0.0005677700000000, 0.0000280700000000, -0.0000040300000000 ] - [ -0.0012492200000000, 0.0000483900000000, -0.0004477400000000 ] - [ 0.0000075000000000, 0.0005089300000000, 0.0010282000000000 ] - [ 0.0001705100000000, -0.0001865900000000, -0.0002490200000000 ] - [ 0.0070220400000000, 0.0054795100000000, 0.0141294600000000 ] - [ -0.0014174700000000, -0.0005296200000000, -0.0011621700000000 ] - [ -0.0004450300000000, 0.0004756400000000, -0.0010607600000000 ] - [ -0.0007388900000000, 0.0016589200000000, 0.0010123900000000 ] - [ 0.0002057300000000, -0.0008474300000000, 0.0004190600000000 ] - [ -0.0015407900000000, -0.0010674700000000, -0.0000163100000000 ] - [ 0.0000571300000000, 0.0003378000000000, 0.0016969600000000 ] - [ 0.0003141800000000, 0.0011847100000000, 0.0001798600000000 ] - [ 0.0072392800000000, -0.0049099400000000, 0.0139094700000000 ] - [ -0.0013062800000000, -0.0003467300000000, -0.0017230400000000 ] - [ -0.0005773900000000, 0.0024586600000000, 0.0036402900000000 ] - [ -0.0006859600000000, -0.0005891000000000, -0.0018213000000000 ] - [ 0.0018709000000000, -0.0007178600000000, -0.0001927200000000 ] - [ -0.0018417400000000, -0.0000058700000000, 0.0004511700000000 ] - [ 0.0001823100000000, 0.0005023900000000, 0.0005080000000000 ] - [ 0.0003052500000000, 0.0002112200000000, 0.0005889600000000 ] - [ 0.0029874100000000, -0.0014422700000000, 0.0013034300000000 ] - [ -0.0007906600000000, -0.0006172700000000, 0.0000023100000000 ] - [ -0.0144774900000000, -0.0026828600000000, -0.0037671300000000 ] - [ 0.0028065900000000, -0.0002736700000000, 0.0002936500000000 ] - [ -0.0001942300000000, 0.0003840000000000, -0.0004511300000000 ] - [ 0.0005579500000000, 0.0000629600000000, -0.0012191800000000 ] - [ -0.0023351300000000, 0.0002922800000000, 0.0011908700000000 ] - [ 0.0024406100000000, -0.0000282100000000, -0.0004664100000000 ] - [ -0.0008115100000000, 0.0010367200000000, -0.0012901400000000 ] - [ 0.0008246600000000, 0.0002823900000000, 0.0009307100000000 ] - [ -0.3023176300000000, 0.0064081500000000, 0.1676147400000000 ] - [ 0.0068839900000000, -0.0003485400000000, 0.0030054400000000 ] - [ 0.0006010600000000, 0.0001875800000000, -0.0038675900000000 ] - [ 0.0015346500000000, 0.0000577100000000, 0.0001565000000000 ] - [ -0.0010725300000000, -0.0003188000000000, -0.0004727900000000 ] - [ 0.0010178800000000, 0.0000081000000000, -0.0003195400000000 ] - [ -0.0000921800000000, 0.0005203100000000, 0.0009806900000000 ] - [ 0.0001244100000000, 0.0000203100000000, -0.0004044600000000 ] - [ -0.0158880800000000, 0.0025020500000000, -0.0041903500000000 ] - [ 0.0032068800000000, -0.0004576300000000, -0.0000467600000000 ] - [ -0.0006162900000000, -0.0003793900000000, -0.0002697300000000 ] - [ 0.0004442300000000, 0.0002885400000000, -0.0009509200000000 ] - [ -0.0020773400000000, -0.0003257700000000, 0.0012054400000000 ] - [ 0.0031875800000000, 0.0002338500000000, -0.0006812500000000 ] - [ -0.0021053300000000, -0.0021954300000000, -0.0030653200000000 ] - [ 0.0013377200000000, 0.0012788000000000, 0.0012979300000000 ] - [ -0.0006341800000000, 0.0003408600000000, -0.0004215200000000 ] - [ 0.0002293000000000, 0.0001848900000000, -0.0000533100000000 ] - [ 0.0000893300000000, -0.0007866500000000, -0.0003069300000000 ] - [ -0.0000146600000000, -0.0000980900000000, 0.0004531500000000 ] - [ -0.0007147900000000, 0.0001433600000000, -0.0000580700000000 ] - [ 0.0009469400000000, 0.0002617700000000, -0.0002167200000000 ] - [ 0.0006413200000000, -0.0023095700000000, 0.0008290800000000 ] - [ 0.0029241300000000, 0.0027915600000000, 0.0001959300000000 ] - [ -0.0008059100000000, -0.0009109300000000, -0.0002644400000000 ] - [ 0.0005115000000000, -0.0006488700000000, 0.0002494100000000 ] - [ 0.0002067100000000, 0.0016588300000000, -0.0011458400000000 ] - [ 0.0002566500000000, 0.0002286400000000, 0.0003001000000000 ] - [ -0.0070706000000000, -0.0009237200000000, 0.0003235300000000 ] - [ 0.0024865300000000, -0.0007889100000000, -0.0009151200000000 ] - [ -0.0052198700000000, -0.0023988600000000, 0.0011923900000000 ] - [ 0.0043517900000000, -0.0043702500000000, 0.0022529900000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006585600000000, 0.0013980400000000, 0.0027112400000000 ] - [ 0.0001819400000000, -0.0001788700000000, 0.0001069500000000 ] - [ 0.0003501700000000, -0.0001648500000000, -0.0001427200000000 ] - [ -0.0002675900000000, -0.0004839200000000, -0.0004981500000000 ] - [ 0.0033879000000000, 0.0074686400000000, -0.0006320900000000 ] - [ -0.0003065700000000, 0.0001876600000000, -0.0000154700000000 ] - [ -0.0000936800000000, 0.0019192800000000, -0.0016592800000000 ] - [ -0.0002877300000000, 0.0003460400000000, -0.0001318500000000 ] - [ 0.0009219800000000, 0.0006475100000000, 0.0030204600000000 ] - [ -0.0008638200000000, -0.0002947700000000, -0.0001638200000000 ] - [ 0.0000554300000000, -0.0004420800000000, 0.0010629900000000 ] - [ -0.0004555400000000, -0.0002714300000000, 0.0001029800000000 ] - [ 0.0016894100000000, 0.0009407500000000, -0.0006274400000000 ] - [ -0.0000833700000000, 0.0004205400000000, 0.0003797900000000 ] - [ 0.0005884100000000, 0.0007193600000000, -0.0003933600000000 ] - [ 0.0006791000000000, 0.0003026900000000, -0.0002409700000000 ] - [ 0.0012973800000000, -0.0139526500000000, -0.0002775300000000 ] - [ -0.0006688100000000, -0.0022192500000000, -0.0002751300000000 ] - [ -0.0002180700000000, -0.0007930100000000, -0.0014343700000000 ] - [ -0.0003866200000000, -0.0001669700000000, 0.0003673600000000 ] - [ 0.0003531200000000, 0.0008698700000000, 0.0003211800000000 ] - [ 0.0005831200000000, 0.0003587100000000, 0.0004987900000000 ] - [ 0.0005591300000000, 0.0004612300000000, -0.0004956800000000 ] - [ 0.0003171100000000, 0.0003680100000000, -0.0004127600000000 ] - [ -0.0035324100000000, -0.0663440000000000, -0.0046982800000000 ] - [ -0.0003973100000000, -0.0002342000000000, 0.0001941400000000 ] - [ -0.0001976800000000, -0.0005965600000000, -0.0003274700000000 ] - [ 0.0001038000000000, -0.0005973800000000, -0.0012821600000000 ] - [ 0.0003464000000000, 0.0009366600000000, -0.0004049400000000 ] - [ 0.0002869300000000, 0.0003693800000000, -0.0001448300000000 ] - [ 0.0002525100000000, 0.0006126800000000, 0.0002128900000000 ] - [ 0.0004408400000000, 0.0003009800000000, 0.0001845800000000 ] - [ -0.0005689100000000, -0.0003168100000000, -0.0054328900000000 ] - [ -0.0000041800000000, -0.0000808900000000, -0.0000709300000000 ] - [ -0.0005146400000000, -0.0002556600000000, 0.0001674400000000 ] - [ -0.0000959500000000, -0.0001589800000000, 0.0000661400000000 ] - [ -0.0001697700000000, 0.0012021100000000, 0.0001956500000000 ] - [ 0.0022345900000000, 0.0018381300000000, 0.0008062700000000 ] - [ 0.0002138700000000, 0.0003832800000000, 0.0005283500000000 ] - [ 0.0004552300000000, -0.0000591500000000, -0.0000100100000000 ] - [ -0.0001781300000000, 0.0019371500000000, 0.0004667900000000 ] - [ 0.0000054700000000, 0.0005531500000000, 0.0002979500000000 ] - [ 0.0000565200000000, 0.0051035600000000, -0.0002731000000000 ] - [ 0.0000213800000000, 0.0014584200000000, -0.0001907300000000 ] - [ 0.0001285100000000, -0.0008952300000000, -0.0000255000000000 ] - [ 0.0001647100000000, -0.0007397000000000, -0.0002146500000000 ] - [ 0.0003565700000000, -0.0066881000000000, 0.0006603500000000 ] - [ 0.0000931400000000, -0.0005811500000000, 0.0002668700000000 ] - [ -0.0002623300000000, 0.0003479200000000, -0.0001803200000000 ] - [ -0.0001656800000000, 0.0008945400000000, -0.0005721300000000 ] - [ -0.0005856500000000, 0.0024096800000000, -0.0015905800000000 ] - [ -0.0007160100000000, 0.0005892700000000, -0.0003158100000000 ] - [ 0.0006419500000000, -0.0010064600000000, -0.0008398200000000 ] - [ 0.0006218000000000, -0.0004946200000000, -0.0003083800000000 ] - [ -0.0092861200000000, 0.0033336400000000, 0.0240764500000000 ] - [ 0.0003397500000000, -0.0004611900000000, -0.0002035100000000 ] - [ -0.0003733800000000, 0.0011647000000000, -0.0003598000000000 ] - [ -0.0009580300000000, 0.0018254600000000, 0.0005839200000000 ] - [ -0.0005369900000000, 0.0010457600000000, 0.0013627800000000 ] - [ 0.0001125800000000, -0.0003240100000000, 0.0009685000000000 ] - [ 0.0007514000000000, 0.0008792600000000, 0.0000846400000000 ] - [ 0.0003853300000000, 0.0006032500000000, 0.0007061200000000 ] - [ 0.0081643600000000, -0.0004928900000000, -0.0222472200000000 ] - [ 0.0005323100000000, -0.0012912400000000, -0.0002909100000000 ] - [ -0.0010271600000000, 0.0016278600000000, 0.0027391800000000 ] - [ 0.0003885100000000, 0.0006125600000000, -0.0002413800000000 ] - [ -0.0020591300000000, 0.0033813300000000, 0.0004415800000000 ] - [ 0.0004256900000000, -0.0001699000000000, 0.0001858800000000 ] - [ 0.0000493100000000, 0.0002942600000000, 0.0005865300000000 ] - [ 0.0003732700000000, 0.0003804500000000, 0.0005960300000000 ] - [ 0.0000710200000000, 0.0006196500000000, -0.0030395100000000 ] - [ 0.0001501600000000, -0.0005251500000000, -0.0003243500000000 ] - [ -0.0077383400000000, 0.0017281900000000, -0.0112352600000000 ] - [ -0.0000033100000000, 0.0003669100000000, -0.0000121900000000 ] - [ -0.0011260100000000, 0.0013856800000000, -0.0005913600000000 ] - [ -0.0002797500000000, 0.0015569900000000, 0.0001566600000000 ] - [ -0.0020491000000000, -0.0073798400000000, 0.0033151800000000 ] - [ 0.0013040500000000, -0.0017205600000000, -0.0008019400000000 ] - [ 0.0003419000000000, -0.0024859700000000, 0.0009427700000000 ] - [ -0.0000057200000000, -0.0005697500000000, 0.0004341600000000 ] - [ -0.0047738300000000, 0.0539951200000000, 0.0058495200000000 ] - [ -0.0000473300000000, 0.0006610100000000, 0.0009372000000000 ] - [ -0.0006318700000000, 0.0012592000000000, 0.0008746700000000 ] - [ -0.0001898000000000, 0.0007804700000000, -0.0006756700000000 ] - [ 0.0000958100000000, -0.0037835900000000, -0.0003970000000000 ] - [ -0.0001137500000000, -0.0012170700000000, -0.0009845400000000 ] - [ -0.0001757200000000, -0.0004194000000000, 0.0008557500000000 ] - [ 0.0001802600000000, -0.0009987800000000, 0.0007432100000000 ] - [ 0.0049422000000000, 0.0041802500000000, 0.0094632900000000 ] - [ -0.0003647500000000, 0.0005629800000000, 0.0002464800000000 ] - [ 0.0002634500000000, 0.0008070000000000, -0.0002505400000000 ] - [ -0.0006189100000000, 0.0006211000000000, 0.0001186500000000 ] - [ 0.0015465500000000, -0.0057338200000000, -0.0013490300000000 ] - [ -0.0020028700000000, -0.0016627000000000, 0.0006588800000000 ] - [ 0.0000467700000000, -0.0026671600000000, -0.0017110100000000 ] - [ -0.0002718100000000, -0.0006196500000000, -0.0002885300000000 ] - [ -0.0000297100000000, 0.0001205100000000, 0.0003446400000000 ] - [ -0.0002070700000000, 0.0002066700000000, 0.0000231900000000 ] - [ 0.0004546500000000, -0.0007938800000000, -0.0002554000000000 ] - [ -0.0006553600000000, -0.0007908700000000, -0.0005180100000000 ] - [ 0.0005652300000000, -0.0000062500000000, 0.0007438500000000 ] - [ -0.0001775800000000, 0.0001320500000000, 0.0001937100000000 ] - [ 0.0004853500000000, 0.0017400800000000, -0.0000735200000000 ] - [ -0.0002313000000000, 0.0001621500000000, 0.0000079400000000 ] - [ -0.0001156600000000, -0.0016185100000000, -0.0000133100000000 ] - [ -0.0001662200000000, -0.0009821700000000, 0.0002632700000000 ] - [ -0.0010601300000000, -0.0004350900000000, 0.0002471500000000 ] - [ 0.0007700300000000, -0.0004337300000000, 0.0002669500000000 ] - [ 0.0007468300000000, 0.0033540500000000, -0.0012376600000000 ] - [ 0.0003864700000000, 0.0003089900000000, -0.0005391200000000 ] - [ 0.0056312700000000, 0.0094259500000000, -0.0003353900000000 ] - [ 0.0007456300000000, 0.0011310300000000, 0.0006214100000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005453600000000, -0.0014784300000000, -0.0026407100000000 ] - [ -0.0000570600000000, 0.0000988000000000, -0.0000331500000000 ] - [ -0.0002302600000000, 0.0002403700000000, 0.0000631500000000 ] - [ 0.0003863800000000, 0.0005570600000000, 0.0004177300000000 ] - [ -0.0035574700000000, -0.0076504400000000, 0.0005447000000000 ] - [ 0.0001896200000000, -0.0002625800000000, -0.0000580800000000 ] - [ -0.0000263800000000, -0.0018287300000000, 0.0017204600000000 ] - [ 0.0001649300000000, -0.0002707000000000, 0.0002101000000000 ] - [ -0.0020117800000000, -0.0007586500000000, -0.0033743400000000 ] - [ -0.0002016800000000, 0.0001846300000000, -0.0002166700000000 ] - [ -0.0011294800000000, 0.0005475500000000, -0.0006918700000000 ] - [ -0.0006151400000000, 0.0003759300000000, 0.0002714300000000 ] - [ -0.0006322600000000, -0.0010394900000000, 0.0010163200000000 ] - [ 0.0011423600000000, -0.0005131200000000, -0.0000088600000000 ] - [ 0.0004809300000000, -0.0006112700000000, 0.0000122300000000 ] - [ 0.0003955600000000, -0.0001956200000000, -0.0001346000000000 ] - [ -0.0021233200000000, 0.0138152900000000, -0.0006639600000000 ] - [ -0.0002593800000000, 0.0020865400000000, -0.0005749500000000 ] - [ -0.0007312800000000, 0.0009163600000000, 0.0022751300000000 ] - [ -0.0005578500000000, 0.0002915200000000, 0.0004917100000000 ] - [ 0.0005949900000000, -0.0009948600000000, 0.0005389800000000 ] - [ 0.0003666300000000, -0.0004835900000000, 0.0003592800000000 ] - [ 0.0003881000000000, -0.0003345800000000, -0.0003626100000000 ] - [ 0.0006328500000000, -0.0002421200000000, -0.0004474500000000 ] - [ 0.0006329100000000, 0.0661601300000000, 0.0062603100000000 ] - [ -0.0002061600000000, 0.0000863000000000, 0.0002939400000000 ] - [ -0.0004236200000000, 0.0007395900000000, -0.0001550300000000 ] - [ -0.0007194100000000, 0.0007387700000000, 0.0007821500000000 ] - [ 0.0002692200000000, -0.0010816800000000, -0.0000793700000000 ] - [ 0.0003340100000000, -0.0005132200000000, -0.0003437400000000 ] - [ 0.0003645400000000, -0.0004659100000000, 0.0002726900000000 ] - [ 0.0001788900000000, -0.0001544000000000, 0.0003036300000000 ] - [ -0.0000486300000000, 0.0005857800000000, 0.0052116300000000 ] - [ -0.0005812100000000, 0.0003390600000000, -0.0001980200000000 ] - [ -0.0000829700000000, -0.0000032900000000, 0.0000921000000000 ] - [ -0.0004971500000000, -0.0000983700000000, 0.0001932700000000 ] - [ 0.0007516900000000, -0.0009507500000000, 0.0000759600000000 ] - [ -0.0016233000000000, -0.0015664300000000, -0.0005330600000000 ] - [ 0.0003770900000000, -0.0006390600000000, -0.0007938000000000 ] - [ 0.0001429700000000, -0.0001981500000000, -0.0002504200000000 ] - [ 0.0000108700000000, -0.0020611900000000, -0.0000418800000000 ] - [ -0.0001716200000000, -0.0006784100000000, 0.0001300100000000 ] - [ -0.0002298900000000, -0.0049794600000000, -0.0001452600000000 ] - [ -0.0001855500000000, -0.0013201200000000, -0.0002350600000000 ] - [ 0.0000373200000000, 0.0007646400000000, -0.0004028600000000 ] - [ 0.0000027200000000, 0.0006087800000000, -0.0002142100000000 ] - [ -0.0001976300000000, 0.0068104300000000, -0.0002388600000000 ] - [ 0.0000765800000000, 0.0007060900000000, 0.0001585300000000 ] - [ -0.0004866900000000, -0.0004632900000000, 0.0002723800000000 ] - [ -0.0005811400000000, -0.0010058200000000, 0.0006565900000000 ] - [ -0.0001657100000000, -0.0022947500000000, 0.0015075400000000 ] - [ -0.0000347800000000, -0.0004696000000000, 0.0002232900000000 ] - [ 0.0001105300000000, 0.0008835000000000, 0.0007377100000000 ] - [ 0.0001286600000000, 0.0003779600000000, 0.0002148300000000 ] - [ 0.0099063600000000, -0.0031891000000000, -0.0237350200000000 ] - [ 0.0004164000000000, 0.0005764600000000, 0.0002996700000000 ] - [ -0.0006109800000000, 0.0005864100000000, -0.0006764500000000 ] - [ -0.0000240900000000, -0.0000786800000000, -0.0016292100000000 ] - [ -0.0004470700000000, -0.0027916400000000, -0.0003123200000000 ] - [ -0.0010894600000000, -0.0014210600000000, 0.0000766100000000 ] - [ 0.0002352300000000, 0.0008721100000000, 0.0009472000000000 ] - [ 0.0005982100000000, 0.0011440400000000, 0.0003348300000000 ] - [ -0.0072470800000000, -0.0012342200000000, 0.0213400000000000 ] - [ 0.0004570000000000, -0.0004612800000000, -0.0007457000000000 ] - [ 0.0006203600000000, -0.0008802300000000, -0.0033860300000000 ] - [ -0.0008046900000000, 0.0001465100000000, -0.0003802500000000 ] - [ 0.0016223800000000, -0.0041039300000000, 0.0001915400000000 ] - [ -0.0008300700000000, -0.0005843800000000, 0.0004453000000000 ] - [ 0.0003653400000000, 0.0004596400000000, 0.0000421700000000 ] - [ 0.0000413700000000, 0.0003746200000000, 0.0000316800000000 ] - [ 0.0003306300000000, -0.0013727300000000, 0.0023968200000000 ] - [ 0.0002704200000000, -0.0002271900000000, -0.0003108700000000 ] - [ 0.0074635300000000, -0.0023286500000000, 0.0119185500000000 ] - [ -0.0003287600000000, -0.0009884800000000, 0.0006646800000000 ] - [ 0.0008098200000000, -0.0007613900000000, -0.0000544100000000 ] - [ -0.0000429200000000, -0.0009287600000000, -0.0007975900000000 ] - [ 0.0023907200000000, 0.0067652800000000, -0.0040086400000000 ] - [ -0.0009815200000000, 0.0010853900000000, 0.0001448100000000 ] - [ -0.0000209500000000, 0.0030978000000000, -0.0002802700000000 ] - [ 0.0003222500000000, 0.0011908100000000, 0.0002153600000000 ] - [ 0.0066776100000000, -0.0545645800000000, -0.0055605200000000 ] - [ 0.0000162000000000, -0.0010878800000000, 0.0006709100000000 ] - [ 0.0006228300000000, -0.0008249700000000, -0.0024646400000000 ] - [ 0.0001790900000000, -0.0003480800000000, -0.0009383800000000 ] - [ -0.0000870000000000, 0.0033479900000000, -0.0012266000000000 ] - [ 0.0001168600000000, 0.0007779300000000, -0.0006288000000000 ] - [ 0.0001825100000000, 0.0008483500000000, 0.0007581100000000 ] - [ -0.0001743600000000, 0.0014273400000000, 0.0008773500000000 ] - [ -0.0052034200000000, -0.0043454200000000, -0.0093288100000000 ] - [ 0.0000128900000000, -0.0007119800000000, -0.0001772700000000 ] - [ -0.0005956600000000, -0.0006532600000000, 0.0001911500000000 ] - [ 0.0002796800000000, -0.0004700700000000, -0.0001730500000000 ] - [ -0.0011880600000000, 0.0055666400000000, 0.0012557200000000 ] - [ 0.0023159200000000, 0.0014985300000000, -0.0007187300000000 ] - [ 0.0002921900000000, 0.0028191300000000, 0.0017827600000000 ] - [ 0.0006040500000000, 0.0007633800000000, 0.0003455700000000 ] - [ -0.0002688900000000, 0.0002472600000000, -0.0002836400000000 ] - [ -0.0000942000000000, 0.0001623100000000, 0.0000347400000000 ] - [ -0.0007558100000000, 0.0004275100000000, 0.0001982200000000 ] - [ 0.0003539300000000, 0.0004221500000000, 0.0004583700000000 ] - [ -0.0002573200000000, 0.0003730800000000, -0.0007932900000000 ] - [ 0.0004730300000000, 0.0002343300000000, -0.0002473100000000 ] - [ -0.0000873000000000, -0.0022143300000000, 0.0001440500000000 ] - [ 0.0005217700000000, -0.0005471500000000, 0.0000465500000000 ] - [ -0.0000900500000000, 0.0004399000000000, 0.0007201100000000 ] - [ -0.0000456400000000, -0.0001978700000000, 0.0004415200000000 ] - [ 0.0008481900000000, 0.0016050100000000, -0.0009438200000000 ] - [ -0.0009793800000000, 0.0016103600000000, -0.0009653900000000 ] - [ -0.0005356300000000, -0.0045438000000000, 0.0004814300000000 ] - [ -0.0001878900000000, -0.0014856600000000, -0.0001650100000000 ] - [ -0.0050603600000000, -0.0079140800000000, 0.0009404100000000 ] - [ -0.0005544200000000, 0.0000835700000000, 0.0000669000000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0009292200000000, 0.0030888400000000, 0.0035358000000000 ] - [ -0.0000642500000000, 0.0000150100000000, 0.0002191300000000 ] - [ 0.0002944600000000, 0.0004138200000000, 0.0010638900000000 ] - [ 0.0004973600000000, 0.0004984400000000, 0.0011037400000000 ] - [ 0.0009845600000000, 0.0027936600000000, -0.0028050700000000 ] - [ -0.0000971200000000, 0.0001674900000000, -0.0004786600000000 ] - [ -0.0001663900000000, -0.0004004800000000, 0.0004699900000000 ] - [ 0.0000535600000000, -0.0000027500000000, -0.0000735400000000 ] - [ 0.0036105100000000, 0.0031399500000000, 0.0003699500000000 ] - [ -0.0013206400000000, -0.0000989300000000, -0.0002789800000000 ] - [ 0.0002265100000000, -0.0001982800000000, 0.0032424800000000 ] - [ -0.0006248700000000, 0.0002216900000000, 0.0008299700000000 ] - [ 0.0008942800000000, -0.0004646400000000, -0.0013326800000000 ] - [ 0.0007389100000000, -0.0001299200000000, -0.0002831800000000 ] - [ 0.0006907600000000, -0.0000032300000000, 0.0003717800000000 ] - [ 0.0005481200000000, 0.0000758800000000, 0.0000202200000000 ] - [ 0.0058340400000000, 0.0002676500000000, -0.0107081400000000 ] - [ -0.0015319500000000, 0.0000647200000000, -0.0014871400000000 ] - [ -0.0035851500000000, -0.0019821700000000, 0.0052252400000000 ] - [ -0.0000936500000000, -0.0000326000000000, 0.0005220800000000 ] - [ 0.0005807600000000, 0.0000484300000000, 0.0002999000000000 ] - [ 0.0000642900000000, -0.0000881600000000, 0.0002598700000000 ] - [ 0.0001234900000000, 0.0000861400000000, 0.0002186900000000 ] - [ 0.0003712900000000, 0.0001109300000000, 0.0001130600000000 ] - [ 0.1998683500000000, -0.0055877700000000, -0.2028033200000000 ] - [ -0.0006384700000000, -0.0001222200000000, -0.0002000500000000 ] - [ 0.0012696200000000, -0.0009554500000000, 0.0003882100000000 ] - [ -0.0017516500000000, -0.0000129300000000, 0.0003865800000000 ] - [ 0.0005035400000000, 0.0000902900000000, -0.0004283900000000 ] - [ 0.0003733600000000, -0.0001717600000000, -0.0003897900000000 ] - [ 0.0007543000000000, 0.0001013700000000, 0.0010462400000000 ] - [ 0.0003034800000000, 0.0001311500000000, 0.0008558000000000 ] - [ 0.0037085100000000, -0.0026703000000000, 0.0007702300000000 ] - [ -0.0010244000000000, 0.0001336200000000, -0.0002136700000000 ] - [ -0.0001638300000000, -0.0002387600000000, 0.0011062400000000 ] - [ -0.0003715500000000, -0.0002715800000000, 0.0007872900000000 ] - [ 0.0007608700000000, 0.0006887700000000, -0.0013122100000000 ] - [ -0.0004207800000000, -0.0005993100000000, -0.0010360900000000 ] - [ -0.0007158700000000, 0.0010604700000000, 0.0007754400000000 ] - [ 0.0004979400000000, 0.0000135500000000, 0.0002509100000000 ] - [ -0.0001854800000000, 0.0006703000000000, 0.0003223600000000 ] - [ -0.0000469600000000, 0.0004153200000000, 0.0002969100000000 ] - [ 0.0002842200000000, 0.0005299300000000, -0.0011617200000000 ] - [ -0.0001350300000000, -0.0000434000000000, -0.0004255600000000 ] - [ 0.0001699200000000, -0.0005882800000000, 0.0006439900000000 ] - [ 0.0000317800000000, -0.0000635500000000, 0.0006115100000000 ] - [ 0.0022745100000000, 0.0001895900000000, 0.0027670100000000 ] - [ -0.0001369500000000, 0.0000040800000000, 0.0002702700000000 ] - [ -0.0004806600000000, -0.0000858700000000, 0.0004643700000000 ] - [ -0.0005674500000000, -0.0002490100000000, 0.0007721800000000 ] - [ -0.0006807200000000, 0.0003139400000000, -0.0013853500000000 ] - [ -0.0006096100000000, 0.0002016000000000, -0.0005155200000000 ] - [ -0.0008604200000000, 0.0009185200000000, 0.0019435000000000 ] - [ 0.0004259100000000, 0.0000473600000000, 0.0007960100000000 ] - [ -0.0128093500000000, 0.0141826000000000, 0.0188283800000000 ] - [ -0.0000535100000000, -0.0003301700000000, -0.0006628300000000 ] - [ -0.0004016000000000, 0.0014653700000000, 0.0002147300000000 ] - [ -0.0011267500000000, 0.0015551700000000, 0.0007548900000000 ] - [ -0.0007271300000000, -0.0007792000000000, -0.0006428700000000 ] - [ -0.0009439600000000, -0.0010635400000000, -0.0000652800000000 ] - [ -0.0008802500000000, -0.0001999000000000, 0.0028787000000000 ] - [ 0.0003026300000000, 0.0003831000000000, 0.0016343400000000 ] - [ -0.0127724400000000, -0.0133457200000000, 0.0220092300000000 ] - [ 0.0001401700000000, -0.0006169800000000, -0.0011715000000000 ] - [ -0.0009507800000000, 0.0015871300000000, 0.0009331500000000 ] - [ 0.0012571200000000, 0.0012888300000000, -0.0006077200000000 ] - [ 0.0008761000000000, -0.0018556100000000, -0.0013489700000000 ] - [ -0.0003699100000000, -0.0005682000000000, -0.0000742900000000 ] - [ 0.0001619100000000, 0.0001002200000000, 0.0012933000000000 ] - [ 0.0005818700000000, 0.0000277700000000, 0.0015726100000000 ] - [ 0.0013346600000000, -0.0031346800000000, 0.0040923400000000 ] - [ 0.0001393000000000, -0.0003908500000000, -0.0000671100000000 ] - [ -0.0118964200000000, -0.0066434100000000, -0.0116983000000000 ] - [ 0.0007816600000000, -0.0001793100000000, 0.0002723400000000 ] - [ -0.0014322200000000, 0.0007584600000000, -0.0028784700000000 ] - [ 0.0003427600000000, -0.0003291000000000, -0.0028616200000000 ] - [ -0.0008972500000000, -0.0010456300000000, 0.0039086900000000 ] - [ 0.0002653400000000, -0.0004288100000000, 0.0005667600000000 ] - [ 0.0001927800000000, 0.0003500000000000, -0.0005931800000000 ] - [ 0.0001857700000000, 0.0001547000000000, -0.0000139200000000 ] - [ -0.1677773900000000, 0.0058234200000000, 0.1776683300000000 ] - [ 0.0007682000000000, -0.0001470900000000, 0.0025238700000000 ] - [ 0.0047588600000000, 0.0002772400000000, -0.0050580400000000 ] - [ -0.0013688600000000, 0.0006065300000000, -0.0023964000000000 ] - [ -0.0003473700000000, -0.0005041100000000, -0.0000924900000000 ] - [ 0.0003632800000000, -0.0001905500000000, -0.0000377400000000 ] - [ 0.0002915800000000, -0.0002823000000000, -0.0007294000000000 ] - [ -0.0001416700000000, -0.0001483700000000, -0.0009073800000000 ] - [ -0.0130705000000000, 0.0052842600000000, -0.0137396900000000 ] - [ 0.0006639200000000, -0.0000566800000000, -0.0000611700000000 ] - [ -0.0000040600000000, 0.0004590000000000, -0.0018228400000000 ] - [ 0.0001782400000000, 0.0005573400000000, -0.0023647300000000 ] - [ -0.0009673200000000, -0.0001212100000000, 0.0035782800000000 ] - [ 0.0008440500000000, 0.0002570700000000, 0.0004686300000000 ] - [ 0.0010920100000000, -0.0018772200000000, -0.0010636400000000 ] - [ -0.0004832200000000, -0.0010032500000000, -0.0007579400000000 ] - [ -0.0001906000000000, 0.0001601800000000, -0.0018208900000000 ] - [ -0.0001261900000000, 0.0001625100000000, -0.0003395900000000 ] - [ 0.0008721700000000, -0.0010375400000000, -0.0001656200000000 ] - [ -0.0009911600000000, -0.0009062100000000, -0.0000869700000000 ] - [ -0.0003657300000000, 0.0010502700000000, -0.0004008300000000 ] - [ 0.0004231600000000, 0.0003918700000000, -0.0001009200000000 ] - [ 0.0014413700000000, -0.0021122800000000, 0.0019545500000000 ] - [ 0.0004044300000000, -0.0001438800000000, 0.0008300500000000 ] - [ -0.0003948600000000, -0.0012955000000000, -0.0013851600000000 ] - [ 0.0000429200000000, -0.0006596900000000, -0.0002682400000000 ] - [ 0.0016005400000000, 0.0020384100000000, -0.0013648400000000 ] - [ -0.0012146600000000, 0.0013882400000000, -0.0008514800000000 ] - [ -0.0005180800000000, -0.0013806000000000, 0.0001458300000000 ] - [ 0.0008649600000000, -0.0007852700000000, -0.0002612800000000 ] - [ 0.0002130900000000, 0.0011777800000000, 0.0049239700000000 ] - [ 0.0004438100000000, 0.0006342200000000, 0.0019085900000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0008029800000000, -0.0031613100000000, -0.0034534700000000 ] - [ 0.0001885800000000, -0.0000967600000000, -0.0001467800000000 ] - [ -0.0001790800000000, -0.0003374400000000, -0.0011439500000000 ] - [ -0.0003736000000000, -0.0004208100000000, -0.0011823200000000 ] - [ -0.0011030500000000, -0.0028593100000000, 0.0027410300000000 ] - [ -0.0000219700000000, -0.0002454100000000, 0.0004052600000000 ] - [ 0.0000457000000000, 0.0004743300000000, -0.0003876200000000 ] - [ -0.0001762300000000, 0.0000782700000000, 0.0001556100000000 ] - [ -0.0046714600000000, -0.0032363600000000, -0.0007497200000000 ] - [ 0.0002485800000000, -0.0000115000000000, -0.0001018400000000 ] - [ -0.0013086000000000, 0.0003106400000000, -0.0028896200000000 ] - [ -0.0004478000000000, -0.0001146300000000, -0.0004545100000000 ] - [ 0.0001749500000000, 0.0003590600000000, 0.0017014300000000 ] - [ 0.0003353100000000, 0.0000238400000000, 0.0006562400000000 ] - [ 0.0003843200000000, 0.0001094200000000, -0.0007443000000000 ] - [ 0.0005267000000000, 0.0000304400000000, -0.0003923700000000 ] - [ -0.0064741100000000, -0.0003917100000000, 0.0097397800000000 ] - [ 0.0005884900000000, -0.0001883300000000, 0.0006336500000000 ] - [ 0.0026590300000000, 0.0021302400000000, -0.0044079500000000 ] - [ -0.0008572000000000, 0.0001585900000000, 0.0003407300000000 ] - [ 0.0003664600000000, -0.0001744700000000, 0.0005559000000000 ] - [ 0.0008818100000000, -0.0000381800000000, 0.0005956400000000 ] - [ 0.0008221100000000, 0.0000368400000000, -0.0010760200000000 ] - [ 0.0005774800000000, 0.0000132900000000, -0.0009711000000000 ] - [ -0.1924014400000000, 0.0053770500000000, 0.2001392800000000 ] - [ 0.0000298100000000, -0.0000235000000000, 0.0006877500000000 ] - [ -0.0019000600000000, 0.0011097400000000, -0.0008695600000000 ] - [ 0.0011395900000000, 0.0001603400000000, -0.0008710100000000 ] - [ 0.0001173600000000, -0.0002364000000000, -0.0000623000000000 ] - [ 0.0002473100000000, 0.0000260000000000, -0.0001004800000000 ] - [ -0.0001331000000000, 0.0000424900000000, -0.0005578900000000 ] - [ 0.0003148200000000, 0.0000129600000000, -0.0003673000000000 ] - [ -0.0042793400000000, 0.0029120000000000, -0.0010314800000000 ] - [ 0.0004317100000000, 0.0001261000000000, -0.0000555700000000 ] - [ -0.0004331900000000, -0.0000173400000000, -0.0008472500000000 ] - [ -0.0002224900000000, 0.0000147500000000, -0.0005285100000000 ] - [ -0.0001666300000000, -0.0004328800000000, 0.0015664600000000 ] - [ 0.0010190300000000, 0.0008572200000000, 0.0012954300000000 ] - [ 0.0013243700000000, -0.0013280900000000, -0.0010365900000000 ] - [ 0.0000977900000000, -0.0002714500000000, -0.0005082700000000 ] - [ 0.0000208000000000, -0.0008069900000000, 0.0001089300000000 ] - [ -0.0001198500000000, -0.0005480000000000, 0.0001344500000000 ] - [ -0.0004503900000000, -0.0004012400000000, 0.0007319100000000 ] - [ -0.0000307000000000, 0.0001723100000000, -0.0000028600000000 ] - [ -0.0000070000000000, 0.0004661100000000, -0.0010743200000000 ] - [ 0.0001360800000000, -0.0000641500000000, -0.0010416000000000 ] - [ -0.0021009900000000, -0.0000503600000000, -0.0023392700000000 ] - [ 0.0003042700000000, 0.0001242200000000, 0.0001555900000000 ] - [ -0.0002693600000000, -0.0000344600000000, -0.0003670300000000 ] - [ -0.0001808600000000, 0.0001302300000000, -0.0006770000000000 ] - [ -0.0000699200000000, -0.0001982400000000, 0.0012894500000000 ] - [ -0.0001389000000000, -0.0000836400000000, 0.0004212200000000 ] - [ 0.0016151200000000, -0.0010378700000000, -0.0020418800000000 ] - [ 0.0003178700000000, -0.0001598300000000, -0.0008867400000000 ] - [ 0.0132382600000000, -0.0137461200000000, -0.0185411300000000 ] - [ 0.0008028500000000, 0.0004455800000000, 0.0007541700000000 ] - [ -0.0005851400000000, 0.0002824600000000, -0.0012507700000000 ] - [ 0.0001490000000000, 0.0001927400000000, -0.0017952700000000 ] - [ -0.0002555600000000, -0.0009741300000000, 0.0016778100000000 ] - [ -0.0000375700000000, -0.0006880500000000, 0.0011029900000000 ] - [ 0.0018690100000000, 0.0019561100000000, -0.0018473500000000 ] - [ 0.0006770300000000, 0.0013695000000000, -0.0005939300000000 ] - [ 0.0133952300000000, 0.0112786600000000, -0.0227043600000000 ] - [ 0.0008419200000000, -0.0011327500000000, 0.0001286700000000 ] - [ 0.0005446600000000, -0.0008417500000000, -0.0015645300000000 ] - [ -0.0016856100000000, -0.0005399200000000, -0.0000103700000000 ] - [ -0.0012902300000000, 0.0010947500000000, 0.0019854300000000 ] - [ -0.0000410600000000, -0.0001873400000000, 0.0007087000000000 ] - [ 0.0002517500000000, 0.0006539600000000, -0.0006618700000000 ] - [ -0.0001658900000000, 0.0007256500000000, -0.0009422800000000 ] - [ -0.0009121900000000, 0.0023721800000000, -0.0047075800000000 ] - [ 0.0002801800000000, -0.0003578300000000, -0.0005719400000000 ] - [ 0.0115398200000000, 0.0059992500000000, 0.0123373400000000 ] - [ -0.0011052100000000, -0.0004428900000000, 0.0003859700000000 ] - [ 0.0011344600000000, -0.0001411600000000, 0.0022379700000000 ] - [ -0.0006671600000000, 0.0009521800000000, 0.0022176600000000 ] - [ 0.0012154000000000, 0.0004184700000000, -0.0045441900000000 ] - [ 0.0000516100000000, -0.0001964000000000, -0.0012160100000000 ] - [ 0.0001234900000000, 0.0002785400000000, 0.0012405600000000 ] - [ 0.0001330900000000, 0.0004730800000000, 0.0006584200000000 ] - [ 0.1603002900000000, -0.0060844100000000, -0.1729543700000000 ] - [ -0.0007827800000000, -0.0002849800000000, -0.0009031900000000 ] - [ -0.0047862600000000, 0.0001515500000000, 0.0034522600000000 ] - [ 0.0013708600000000, -0.0001809000000000, 0.0007807200000000 ] - [ 0.0003528800000000, 0.0000742800000000, -0.0015119500000000 ] - [ -0.0003566200000000, -0.0002421900000000, -0.0015674300000000 ] - [ -0.0002833000000000, 0.0007209300000000, 0.0023425400000000 ] - [ 0.0001451300000000, 0.0005846300000000, 0.0025206500000000 ] - [ 0.0126593400000000, -0.0054267000000000, 0.0137510700000000 ] - [ -0.0010073100000000, -0.0000973900000000, 0.0001339000000000 ] - [ -0.0003286000000000, -0.0003129600000000, 0.0017603700000000 ] - [ -0.0005184800000000, -0.0004077400000000, 0.0023075700000000 ] - [ 0.0013024200000000, -0.0000251300000000, -0.0036308200000000 ] - [ -0.0005100300000000, -0.0004073200000000, -0.0005281800000000 ] - [ -0.0007707100000000, 0.0020411300000000, 0.0011206800000000 ] - [ 0.0008257400000000, 0.0011604800000000, 0.0008146300000000 ] - [ -0.0001138700000000, 0.0002118500000000, 0.0018798600000000 ] - [ -0.0001739100000000, 0.0002077500000000, 0.0003982400000000 ] - [ -0.0011697100000000, 0.0006636800000000, 0.0001097200000000 ] - [ 0.0006877200000000, 0.0005365600000000, 0.0000322800000000 ] - [ 0.0006711600000000, -0.0006878100000000, 0.0003412400000000 ] - [ -0.0001218700000000, -0.0000257600000000, 0.0000424100000000 ] - [ -0.0011594100000000, 0.0017770500000000, -0.0019221800000000 ] - [ -0.0001159700000000, -0.0002468100000000, -0.0007751400000000 ] - [ 0.0001855600000000, 0.0001157800000000, 0.0020902500000000 ] - [ -0.0002518000000000, -0.0005192000000000, 0.0009740700000000 ] - [ -0.0018005500000000, -0.0008507200000000, 0.0006653600000000 ] - [ 0.0010017800000000, -0.0002068400000000, 0.0001538800000000 ] - [ 0.0005697000000000, 0.0000540400000000, -0.0011541900000000 ] - [ -0.0006613300000000, -0.0003954000000000, -0.0004479300000000 ] - [ -0.0000018200000000, -0.0000071200000000, -0.0042266100000000 ] - [ -0.0002555100000000, 0.0005791100000000, -0.0012211200000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000699000000000, -0.0036287900000000, -0.0001541000000000 ] - [ 0.0004741000000000, 0.0001369100000000, 0.0002063200000000 ] - [ 0.0013926700000000, -0.0000780100000000, -0.0006743900000000 ] - [ -0.0010077900000000, 0.0011230500000000, 0.0036750600000000 ] - [ -0.0016685900000000, 0.0000313900000000, 0.0003410600000000 ] - [ 0.0014731900000000, 0.0003702900000000, -0.0010834300000000 ] - [ -0.0003136000000000, -0.0001087400000000, 0.0000160800000000 ] - [ 0.0002045300000000, -0.0000626800000000, 0.0000394800000000 ] - [ -0.0041866500000000, -0.0013174200000000, 0.0016735100000000 ] - [ 0.0007836900000000, 0.0001825300000000, -0.0004494500000000 ] - [ 0.0005518000000000, -0.0005507700000000, -0.0005123900000000 ] - [ -0.0001892000000000, 0.0004139100000000, 0.0005355400000000 ] - [ 0.0003771600000000, 0.0007844900000000, 0.0012954500000000 ] - [ 0.0054001600000000, -0.0032604000000000, -0.0023545200000000 ] - [ -0.0000577800000000, -0.0001536700000000, -0.0004214000000000 ] - [ 0.0010301900000000, 0.0000928900000000, -0.0000790100000000 ] - [ 0.0013827600000000, -0.0023224700000000, 0.0041978300000000 ] - [ 0.0017939700000000, 0.0020138500000000, -0.0015571100000000 ] - [ -0.0011520100000000, 0.0000426000000000, 0.0006698300000000 ] - [ 0.0002351100000000, 0.0000947900000000, 0.0001237900000000 ] - [ -0.0018605700000000, -0.0012691000000000, 0.0000375500000000 ] - [ 0.0023534200000000, 0.0001758900000000, 0.0009776300000000 ] - [ 0.0013646500000000, 0.0008173100000000, -0.0011242700000000 ] - [ 0.0003106800000000, -0.0004969200000000, 0.0013067000000000 ] - [ -0.0051169800000000, -0.0003322100000000, 0.0042329800000000 ] - [ 0.0015731600000000, 0.0002166300000000, -0.0004843500000000 ] - [ 0.0000579500000000, -0.0001278800000000, -0.0001723600000000 ] - [ -0.0007021600000000, 0.0002882200000000, -0.0003805700000000 ] - [ -0.0007368200000000, 0.0003889800000000, 0.0002160600000000 ] - [ 0.0026650900000000, -0.0020031300000000, -0.0009666300000000 ] - [ -0.0012534000000000, -0.0000087000000000, 0.0012676500000000 ] - [ 0.0011804900000000, 0.0002285700000000, 0.0000456700000000 ] - [ -0.3964549400000000, 0.0919181400000000, 0.1509840500000000 ] - [ 0.0024940100000000, -0.0003000800000000, -0.0003727200000000 ] - [ -0.0002846200000000, -0.0004661100000000, -0.0001582400000000 ] - [ -0.0002868800000000, 0.0000142700000000, 0.0002305300000000 ] - [ 0.0003606200000000, -0.0000661700000000, 0.0003462800000000 ] - [ -0.0000451900000000, -0.0004296800000000, 0.0001101100000000 ] - [ -0.0007208300000000, 0.0001004400000000, -0.0004127400000000 ] - [ 0.0009695700000000, -0.0002362700000000, -0.0001985500000000 ] - [ -0.0004721400000000, -0.0002882100000000, -0.0000146000000000 ] - [ 0.0002168400000000, -0.0000501200000000, 0.0000994500000000 ] - [ -0.0002845600000000, 0.0001747100000000, -0.0000076300000000 ] - [ 0.0006560300000000, -0.0018961000000000, -0.0009965900000000 ] - [ 0.0004784300000000, -0.0008231300000000, -0.0005484200000000 ] - [ -0.0000546400000000, 0.0008765100000000, 0.0000935700000000 ] - [ 0.0025598600000000, -0.0133289200000000, -0.0030516800000000 ] - [ 0.0010385600000000, 0.0008514400000000, 0.0003708200000000 ] - [ 0.0001309500000000, 0.0002314600000000, -0.0004797700000000 ] - [ -0.0008188700000000, -0.0005242700000000, 0.0004796100000000 ] - [ -0.0015557800000000, 0.0009001400000000, 0.0002039600000000 ] - [ 0.0015702600000000, -0.0006950800000000, 0.0005670500000000 ] - [ -0.0003497100000000, 0.0006186900000000, 0.0008262600000000 ] - [ 0.0012554200000000, -0.0004835100000000, -0.0007958700000000 ] - [ -0.0006972900000000, -0.0042104800000000, 0.0013637100000000 ] - [ 0.0015768600000000, 0.0011673700000000, 0.0008310300000000 ] - [ 0.0000476800000000, 0.0008329200000000, -0.0009766800000000 ] - [ -0.0009953800000000, 0.0009802300000000, -0.0001726200000000 ] - [ -0.0009716800000000, -0.0010888900000000, 0.0003555500000000 ] - [ -0.0000993200000000, -0.0014768500000000, 0.0001722600000000 ] - [ 0.0001231900000000, 0.0010026100000000, 0.0006831900000000 ] - [ 0.0008881400000000, 0.0007145900000000, 0.0001940200000000 ] - [ 0.0281195600000000, -0.0175027900000000, 0.0103956300000000 ] - [ 0.0035041800000000, -0.0001835300000000, -0.0004763500000000 ] - [ -0.0011136600000000, 0.0002097000000000, -0.0002547500000000 ] - [ 0.0002686500000000, 0.0005646300000000, -0.0002748400000000 ] - [ -0.0004492800000000, -0.0005348200000000, 0.0005385700000000 ] - [ 0.0001474100000000, -0.0008916200000000, -0.0000354200000000 ] - [ 0.0006700700000000, 0.0000565400000000, 0.0002694800000000 ] - [ -0.0002408500000000, 0.0004246800000000, 0.0002620100000000 ] - [ 0.0142617200000000, 0.0009220100000000, -0.0167334000000000 ] - [ 0.0027406300000000, 0.0003202300000000, 0.0000078800000000 ] - [ 0.0050809600000000, 0.0120180500000000, -0.0054046400000000 ] - [ -0.0024940700000000, -0.0014038600000000, 0.0000502300000000 ] - [ -0.0022514900000000, 0.0010396200000000, 0.0007120800000000 ] - [ -0.0002433700000000, -0.0018555200000000, -0.0023414200000000 ] - [ 0.0017106200000000, -0.0015062100000000, -0.0021694700000000 ] - [ -0.0050035500000000, 0.0008390000000000, 0.0026395000000000 ] - [ 0.0010995500000000, 0.0007977800000000, 0.0003949300000000 ] - [ -0.0007498900000000, 0.0003869200000000, 0.0005329600000000 ] - [ 0.0034865000000000, 0.0160557600000000, -0.0186962300000000 ] - [ -0.0039112500000000, -0.0024285400000000, 0.0019306100000000 ] - [ 0.0010477900000000, -0.0001190700000000, -0.0009741000000000 ] - [ -0.0010742900000000, 0.0006152300000000, -0.0001985000000000 ] - [ 0.0033632600000000, -0.0004597900000000, -0.0004349500000000 ] - [ -0.0031285100000000, 0.0009570800000000, -0.0009618400000000 ] - [ -0.0014464900000000, -0.0000469000000000, 0.0017477300000000 ] - [ 0.0014666300000000, 0.0007510100000000, -0.0006460200000000 ] - [ 0.3426946100000000, -0.0710000500000000, -0.1367227600000000 ] - [ -0.0055848500000000, -0.0005245700000000, -0.0005854000000000 ] - [ -0.0007776600000000, 0.0012549300000000, 0.0005867000000000 ] - [ 0.0003190000000000, -0.0007002300000000, -0.0003016400000000 ] - [ 0.0004213000000000, 0.0002803700000000, -0.0003247900000000 ] - [ 0.0002291700000000, 0.0017438100000000, 0.0000591900000000 ] - [ 0.0019661300000000, 0.0002783600000000, 0.0008843000000000 ] - [ -0.0010765300000000, -0.0000450900000000, 0.0003234200000000 ] - [ 0.0015930600000000, -0.0003990000000000, 0.0032398600000000 ] - [ -0.0010391100000000, 0.0000906500000000, -0.0003987500000000 ] - [ -0.0009702200000000, 0.0001443300000000, -0.0001279100000000 ] - [ 0.0005360900000000, 0.0004357300000000, -0.0000518000000000 ] - [ 0.0003191000000000, 0.0003231400000000, -0.0000162200000000 ] - [ 0.0000056900000000, 0.0002175100000000, 0.0001023000000000 ] - [ 0.0010117600000000, -0.0003023800000000, 0.0012626100000000 ] - [ -0.0013429400000000, -0.0005590300000000, -0.0001876300000000 ] - [ 0.0010189400000000, -0.0000492600000000, 0.0009036500000000 ] - [ -0.0011400500000000, -0.0001824600000000, -0.0001763800000000 ] - [ -0.0047963100000000, -0.0024900700000000, -0.0006077000000000 ] - [ 0.0047191700000000, -0.0026308000000000, 0.0017463600000000 ] - [ 0.0007462300000000, -0.0011468400000000, -0.0007617400000000 ] - [ -0.0005691200000000, -0.0008711900000000, 0.0006081300000000 ] - [ 0.0018712500000000, 0.0002104600000000, 0.0002707200000000 ] - [ -0.0015794400000000, 0.0011950600000000, 0.0002262100000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001918300000000, 0.0035441000000000, 0.0002336500000000 ] - [ -0.0003567200000000, -0.0002114400000000, -0.0001289600000000 ] - [ -0.0012727900000000, 0.0001548300000000, 0.0005986600000000 ] - [ 0.0011089000000000, -0.0010489200000000, -0.0037691700000000 ] - [ 0.0015660100000000, -0.0001066100000000, -0.0004168500000000 ] - [ -0.0015890500000000, -0.0004447700000000, 0.0010039600000000 ] - [ 0.0001943700000000, 0.0001848300000000, 0.0000602300000000 ] - [ -0.0003218600000000, 0.0001393200000000, 0.0000361900000000 ] - [ 0.0031216000000000, 0.0011952100000000, -0.0020466000000000 ] - [ -0.0018533700000000, -0.0002852700000000, 0.0000734300000000 ] - [ -0.0016198300000000, 0.0006568300000000, 0.0008908000000000 ] - [ -0.0008887400000000, -0.0003098700000000, -0.0001636000000000 ] - [ 0.0007031900000000, -0.0008975500000000, -0.0009247400000000 ] - [ -0.0043182600000000, 0.0031375900000000, 0.0027213300000000 ] - [ 0.0011271400000000, 0.0002587400000000, 0.0000444600000000 ] - [ 0.0000406400000000, 0.0000118500000000, -0.0002974500000000 ] - [ -0.0023432900000000, 0.0022204400000000, -0.0050992500000000 ] - [ -0.0027393700000000, -0.0021317400000000, 0.0006933300000000 ] - [ 0.0002065600000000, 0.0000827700000000, 0.0001851800000000 ] - [ -0.0011800600000000, 0.0000310500000000, 0.0007303600000000 ] - [ 0.0028002200000000, 0.0011468700000000, 0.0008136900000000 ] - [ -0.0014033200000000, -0.0003027100000000, -0.0001211100000000 ] - [ -0.0004177500000000, -0.0006927900000000, 0.0002687300000000 ] - [ 0.0006342900000000, 0.0006213700000000, -0.0021508300000000 ] - [ 0.0045431600000000, 0.0001868100000000, -0.0037564200000000 ] - [ -0.0021943200000000, -0.0003616900000000, 0.0009707800000000 ] - [ -0.0006793400000000, 0.0002746800000000, -0.0003204400000000 ] - [ 0.0000803000000000, -0.0001420700000000, -0.0001104400000000 ] - [ 0.0013611400000000, -0.0005336400000000, -0.0007099500000000 ] - [ -0.0020406800000000, 0.0018534100000000, 0.0004742700000000 ] - [ 0.0018682300000000, 0.0001556400000000, -0.0007735900000000 ] - [ -0.0005583700000000, -0.0000823900000000, 0.0004449200000000 ] - [ 0.4150398100000000, -0.0972966300000000, -0.1621868900000000 ] - [ -0.0030875800000000, 0.0005553700000000, 0.0001101900000000 ] - [ -0.0003067800000000, 0.0002092200000000, 0.0004219500000000 ] - [ -0.0003089000000000, -0.0002730000000000, 0.0000333400000000 ] - [ 0.0002373100000000, 0.0003253400000000, -0.0000821000000000 ] - [ 0.0006355200000000, 0.0006841200000000, 0.0001554600000000 ] - [ 0.0013139900000000, -0.0003562600000000, 0.0001461200000000 ] - [ -0.0003756600000000, -0.0000202400000000, -0.0000671400000000 ] - [ 0.0003059300000000, 0.0001613600000000, 0.0004431700000000 ] - [ -0.0003816900000000, -0.0000795200000000, 0.0003281700000000 ] - [ 0.0001242500000000, -0.0000412100000000, -0.0004177700000000 ] - [ -0.0008197300000000, 0.0020175200000000, 0.0005644700000000 ] - [ -0.0003111100000000, 0.0006948400000000, 0.0001196400000000 ] - [ 0.0002178700000000, -0.0010106500000000, -0.0005237900000000 ] - [ -0.0022994300000000, 0.0134484000000000, 0.0035334100000000 ] - [ -0.0008727800000000, -0.0007178800000000, 0.0000574600000000 ] - [ -0.0008780700000000, -0.0003492200000000, 0.0005711500000000 ] - [ 0.0000683300000000, 0.0004055200000000, -0.0003855100000000 ] - [ 0.0008263600000000, -0.0007673100000000, -0.0002858000000000 ] - [ -0.0023144800000000, 0.0008103400000000, -0.0006571500000000 ] - [ 0.0010977400000000, -0.0007395400000000, -0.0009225400000000 ] - [ -0.0005059200000000, 0.0003662800000000, 0.0007030100000000 ] - [ 0.0014711000000000, 0.0043675700000000, -0.0012476600000000 ] - [ -0.0008284700000000, -0.0010468900000000, -0.0007387200000000 ] - [ -0.0010287100000000, 0.0009172700000000, -0.0000648600000000 ] - [ 0.0000098200000000, 0.0007733200000000, -0.0008640000000000 ] - [ -0.0000080500000000, -0.0006559600000000, 0.0006885300000000 ] - [ -0.0008838300000000, -0.0002752300000000, 0.0008667800000000 ] - [ 0.0008590300000000, 0.0007464500000000, 0.0003574100000000 ] - [ 0.0000947900000000, 0.0010364700000000, 0.0008462400000000 ] - [ -0.0278769500000000, 0.0160693500000000, -0.0116616900000000 ] - [ -0.0025098200000000, -0.0015624800000000, -0.0005712900000000 ] - [ 0.0006908700000000, 0.0005462400000000, -0.0003775100000000 ] - [ -0.0006834900000000, 0.0001898400000000, -0.0003561500000000 ] - [ 0.0000343200000000, -0.0002185800000000, 0.0000919800000000 ] - [ -0.0005644600000000, 0.0001348200000000, 0.0006629500000000 ] - [ -0.0002527000000000, 0.0006988100000000, 0.0003590600000000 ] - [ 0.0006548200000000, 0.0003288400000000, 0.0003658500000000 ] - [ -0.0139510100000000, -0.0017254200000000, 0.0164269600000000 ] - [ -0.0023229100000000, -0.0010758100000000, -0.0006334500000000 ] - [ -0.0054308700000000, -0.0125930100000000, 0.0060163300000000 ] - [ 0.0021749500000000, 0.0007726700000000, 0.0005980600000000 ] - [ 0.0019283500000000, -0.0004174800000000, -0.0013630700000000 ] - [ -0.0000645400000000, 0.0024955000000000, 0.0017056800000000 ] - [ -0.0014220100000000, 0.0008904800000000, 0.0015138900000000 ] - [ 0.0053219600000000, -0.0014630600000000, -0.0032841900000000 ] - [ -0.0007771700000000, -0.0001734100000000, 0.0002521800000000 ] - [ 0.0010680100000000, 0.0002390500000000, 0.0001167200000000 ] - [ -0.0035802900000000, -0.0166423900000000, 0.0204562200000000 ] - [ 0.0039067600000000, 0.0019884900000000, -0.0003082500000000 ] - [ -0.0010529400000000, 0.0005536700000000, -0.0006346300000000 ] - [ 0.0010686900000000, -0.0001842800000000, -0.0014112400000000 ] - [ -0.0033587000000000, 0.0000043700000000, -0.0011656100000000 ] - [ 0.0031292800000000, -0.0013837900000000, -0.0006521700000000 ] - [ 0.0014501100000000, 0.0004788300000000, -0.0001365300000000 ] - [ -0.0014502600000000, -0.0003211700000000, 0.0022462700000000 ] - [ -0.3616086900000000, 0.0765351100000000, 0.1472851300000000 ] - [ 0.0052431600000000, 0.0003706100000000, 0.0006425200000000 ] - [ 0.0004379500000000, -0.0011039400000000, -0.0006483700000000 ] - [ -0.0006513400000000, 0.0008566100000000, 0.0002417500000000 ] - [ -0.0000926100000000, -0.0004390400000000, 0.0002594800000000 ] - [ 0.0001116600000000, -0.0018890300000000, -0.0001217000000000 ] - [ -0.0016270800000000, -0.0001320100000000, -0.0008279300000000 ] - [ 0.0014114600000000, 0.0001974300000000, -0.0002596200000000 ] - [ -0.0019066100000000, 0.0007671000000000, -0.0031930400000000 ] - [ 0.0007393400000000, 0.0002771100000000, 0.0004521200000000 ] - [ 0.0006651000000000, -0.0005142700000000, 0.0000704600000000 ] - [ -0.0008315300000000, -0.0008012100000000, -0.0000042500000000 ] - [ -0.0000176600000000, 0.0000437900000000, -0.0000405200000000 ] - [ 0.0002965600000000, 0.0001502900000000, -0.0001574800000000 ] - [ -0.0006950800000000, -0.0000551700000000, -0.0011052800000000 ] - [ 0.0016461700000000, 0.0001950100000000, 0.0002469400000000 ] - [ -0.0012266100000000, -0.0011271000000000, -0.0001975000000000 ] - [ 0.0009293100000000, -0.0009945000000000, 0.0008763000000000 ] - [ 0.0045864700000000, 0.0036810600000000, -0.0000983700000000 ] - [ -0.0047712100000000, 0.0035459300000000, -0.0022925800000000 ] - [ -0.0005430200000000, -0.0000304300000000, 0.0000614300000000 ] - [ 0.0007816400000000, -0.0003098400000000, -0.0013066600000000 ] - [ -0.0016582900000000, 0.0009722200000000, 0.0004252500000000 ] - [ 0.0017897400000000, -0.0000205400000000, 0.0004783800000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0010704400000000, 0.0053801300000000, 0.0006433700000000 ] - [ 0.0000972900000000, 0.0001877300000000, 0.0001822700000000 ] - [ 0.0000645700000000, -0.0004918100000000, -0.0002523700000000 ] - [ 0.0003705200000000, -0.0018277100000000, -0.0001885600000000 ] - [ 0.0009979500000000, -0.0003984300000000, 0.0005084500000000 ] - [ -0.0008623100000000, -0.0005009000000000, 0.0006206700000000 ] - [ 0.0000028900000000, 0.0005099800000000, -0.0002403700000000 ] - [ -0.0001581600000000, 0.0002745800000000, -0.0000820800000000 ] - [ 0.0007707900000000, 0.0042080000000000, -0.0018749900000000 ] - [ -0.0008546700000000, -0.0000277500000000, -0.0000734800000000 ] - [ -0.0003554200000000, -0.0005376800000000, 0.0001055400000000 ] - [ -0.0003020200000000, -0.0003154000000000, 0.0001976000000000 ] - [ 0.0013142600000000, -0.0006254900000000, 0.0001752700000000 ] - [ -0.0025732300000000, 0.0014055000000000, 0.0020670800000000 ] - [ 0.0008033000000000, 0.0003442700000000, -0.0001502600000000 ] - [ 0.0004747100000000, 0.0001810900000000, -0.0002689500000000 ] - [ -0.0018467000000000, 0.0000447700000000, -0.0019353200000000 ] - [ 0.0000296600000000, -0.0007303500000000, -0.0007973000000000 ] - [ -0.0003555800000000, 0.0000130900000000, 0.0002385000000000 ] - [ -0.0006183000000000, -0.0000041000000000, 0.0004333100000000 ] - [ 0.0014370400000000, 0.0020677000000000, 0.0004304800000000 ] - [ -0.0001684900000000, 0.0002419800000000, 0.0003364200000000 ] - [ 0.0006276900000000, 0.0003612900000000, -0.0006166000000000 ] - [ 0.0003354100000000, 0.0004747000000000, -0.0018508400000000 ] - [ -0.0002486900000000, -0.0005305000000000, -0.0025455400000000 ] - [ -0.0002314700000000, -0.0002833700000000, 0.0002470800000000 ] - [ -0.0004388000000000, 0.0000411500000000, -0.0003879900000000 ] - [ -0.0001170000000000, -0.0000542400000000, -0.0003558200000000 ] - [ 0.0011192000000000, 0.0010046400000000, -0.0008009500000000 ] - [ -0.0012468100000000, 0.0016220500000000, 0.0004805500000000 ] - [ 0.0005488100000000, 0.0005850200000000, -0.0009456600000000 ] - [ 0.0002631400000000, 0.0001428300000000, 0.0001013500000000 ] - [ 0.0939125900000000, -0.0798781900000000, -0.0346500800000000 ] - [ -0.0007194500000000, -0.0002608700000000, 0.0002457100000000 ] - [ -0.0004419200000000, 0.0001006600000000, 0.0004291400000000 ] - [ 0.0000399900000000, 0.0001009000000000, 0.0002926500000000 ] - [ 0.0004926100000000, 0.0006850500000000, -0.0000789500000000 ] - [ 0.0008549700000000, 0.0008539400000000, -0.0000403800000000 ] - [ 0.0005233700000000, -0.0003299800000000, -0.0001825600000000 ] - [ 0.0001910300000000, -0.0002015500000000, -0.0002073100000000 ] - [ 0.0000133700000000, 0.0001930200000000, 0.0002807600000000 ] - [ -0.0001208100000000, 0.0000259300000000, 0.0002318400000000 ] - [ 0.0003571700000000, 0.0012172100000000, 0.0002539000000000 ] - [ -0.0003885800000000, 0.0014034500000000, 0.0002091900000000 ] - [ -0.0002110500000000, -0.0003938700000000, 0.0002776300000000 ] - [ 0.0003836200000000, -0.0004327900000000, 0.0003737600000000 ] - [ -0.0217741500000000, 0.0213222800000000, 0.0121923400000000 ] - [ 0.0000442500000000, -0.0006924000000000, 0.0003496100000000 ] - [ -0.0003311700000000, 0.0001607700000000, -0.0001409800000000 ] - [ -0.0001195100000000, 0.0005634800000000, -0.0006473000000000 ] - [ 0.0026099500000000, 0.0030451700000000, 0.0013547800000000 ] - [ -0.0013502300000000, 0.0004362600000000, -0.0001683900000000 ] - [ 0.0005326600000000, -0.0004912900000000, -0.0002056600000000 ] - [ 0.0003512200000000, -0.0003219500000000, -0.0000748900000000 ] - [ -0.0012792500000000, 0.0005275000000000, -0.0033289900000000 ] - [ 0.0006122100000000, -0.0001394700000000, 0.0000067400000000 ] - [ -0.0004751300000000, 0.0008083600000000, -0.0006558700000000 ] - [ -0.0003126800000000, 0.0005637400000000, -0.0010636000000000 ] - [ -0.0001511300000000, 0.0008532800000000, 0.0011436300000000 ] - [ -0.0004799800000000, -0.0002276500000000, 0.0011222500000000 ] - [ 0.0005796400000000, 0.0008920900000000, 0.0007030500000000 ] - [ 0.0002571600000000, 0.0008295600000000, 0.0007567600000000 ] - [ -0.0096249100000000, -0.0061762600000000, -0.0019274900000000 ] - [ 0.0006238300000000, -0.0016256000000000, -0.0000917800000000 ] - [ -0.0000873500000000, -0.0000745500000000, -0.0009010500000000 ] - [ -0.0003594700000000, 0.0001661800000000, -0.0004007000000000 ] - [ -0.0003320400000000, 0.0002737400000000, 0.0003114600000000 ] - [ -0.0002342800000000, 0.0000614300000000, 0.0004465800000000 ] - [ -0.0001279200000000, 0.0005943700000000, 0.0005202600000000 ] - [ 0.0005101000000000, 0.0007707700000000, 0.0006901100000000 ] - [ 0.0133455900000000, -0.0086143300000000, -0.0111101100000000 ] - [ -0.0010493300000000, -0.0015818500000000, -0.0000292500000000 ] - [ 0.0010774600000000, -0.0185178100000000, 0.0091781300000000 ] - [ -0.0000735400000000, -0.0001773400000000, -0.0002018000000000 ] - [ 0.0000910700000000, 0.0017407800000000, -0.0006408700000000 ] - [ -0.0006528800000000, 0.0019094900000000, -0.0008063200000000 ] - [ -0.0026719800000000, 0.0003606800000000, -0.0024975800000000 ] - [ 0.0029674500000000, -0.0007584700000000, -0.0023257900000000 ] - [ -0.0002736600000000, -0.0004967300000000, 0.0006335300000000 ] - [ 0.0002820400000000, -0.0000482100000000, 0.0004317900000000 ] - [ 0.0028915500000000, -0.0021868200000000, 0.0077324200000000 ] - [ -0.0009291600000000, 0.0006681100000000, 0.0007511900000000 ] - [ -0.0003138000000000, 0.0005159400000000, -0.0008400400000000 ] - [ 0.0002578800000000, 0.0004519700000000, -0.0008086500000000 ] - [ -0.0018618700000000, -0.0047929400000000, -0.0000773900000000 ] - [ 0.0015408800000000, -0.0010969900000000, -0.0014431300000000 ] - [ -0.0001557600000000, 0.0000738200000000, 0.0012300500000000 ] - [ -0.0003315900000000, -0.0000772500000000, 0.0026165700000000 ] - [ -0.0687054200000000, 0.0708820400000000, 0.0277129100000000 ] - [ 0.0004033100000000, 0.0015357800000000, -0.0009553300000000 ] - [ 0.0005004600000000, -0.0003002000000000, -0.0006143300000000 ] - [ -0.0008066900000000, -0.0005163200000000, -0.0006832500000000 ] - [ -0.0003221000000000, -0.0019368300000000, -0.0000271700000000 ] - [ -0.0004751600000000, -0.0015974400000000, -0.0000712900000000 ] - [ -0.0000794300000000, 0.0002692700000000, 0.0001775300000000 ] - [ 0.0003723400000000, 0.0002136700000000, 0.0001844100000000 ] - [ -0.0000934300000000, 0.0005782800000000, 0.0010831600000000 ] - [ 0.0000415000000000, 0.0004333500000000, 0.0002654400000000 ] - [ 0.0005307500000000, -0.0009436500000000, 0.0001031800000000 ] - [ -0.0009901300000000, -0.0016716700000000, -0.0002014400000000 ] - [ 0.0001429700000000, -0.0000017800000000, -0.0000493500000000 ] - [ 0.0001172500000000, 0.0000309800000000, -0.0000884600000000 ] - [ -0.0005256400000000, 0.0013438500000000, 0.0035745100000000 ] - [ 0.0005303600000000, 0.0003537400000000, 0.0000772200000000 ] - [ -0.0005821700000000, -0.0025491500000000, -0.0001464000000000 ] - [ 0.0002602100000000, -0.0014208300000000, 0.0005779900000000 ] - [ -0.0008248400000000, 0.0007694800000000, -0.0007411500000000 ] - [ -0.0055672600000000, 0.0095029400000000, -0.0054701800000000 ] - [ 0.0000529100000000, 0.0002593300000000, 0.0002883000000000 ] - [ 0.0001281000000000, -0.0000341600000000, -0.0004074100000000 ] - [ -0.0007281600000000, -0.0005979700000000, 0.0021059600000000 ] - [ 0.0007019900000000, 0.0000597200000000, 0.0006854200000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0011824800000000, -0.0054502700000000, -0.0005629500000000 ] - [ 0.0000251500000000, -0.0002670300000000, -0.0001060900000000 ] - [ 0.0000635100000000, 0.0005655200000000, 0.0001705000000000 ] - [ -0.0002678000000000, 0.0019035100000000, 0.0001024200000000 ] - [ -0.0011235700000000, 0.0003263900000000, -0.0005871300000000 ] - [ 0.0007495500000000, 0.0004269800000000, -0.0007023200000000 ] - [ -0.0001237900000000, -0.0004323800000000, 0.0003157700000000 ] - [ 0.0000387900000000, -0.0001967500000000, 0.0001574900000000 ] - [ -0.0018546500000000, -0.0042960100000000, 0.0015026200000000 ] - [ -0.0002143000000000, -0.0000790700000000, -0.0003033700000000 ] - [ -0.0007091200000000, 0.0006365600000000, 0.0002668600000000 ] - [ -0.0007749300000000, 0.0004202500000000, 0.0001756100000000 ] - [ -0.0002489800000000, 0.0005266200000000, 0.0002042400000000 ] - [ 0.0036647400000000, -0.0015246000000000, -0.0017081700000000 ] - [ 0.0002669500000000, -0.0002384100000000, -0.0002254400000000 ] - [ 0.0006006500000000, -0.0000744900000000, -0.0001058200000000 ] - [ 0.0009096600000000, -0.0001849700000000, 0.0011023300000000 ] - [ -0.0009719200000000, 0.0006071100000000, -0.0000626100000000 ] - [ -0.0005924700000000, 0.0001100500000000, 0.0006181100000000 ] - [ -0.0003240200000000, 0.0001282700000000, 0.0004212000000000 ] - [ -0.0005036200000000, -0.0022055500000000, 0.0004265900000000 ] - [ 0.0011256000000000, -0.0003644200000000, 0.0005225200000000 ] - [ 0.0003238100000000, -0.0002288900000000, -0.0002442000000000 ] - [ 0.0006078700000000, -0.0003536000000000, 0.0010103500000000 ] - [ -0.0003940100000000, 0.0003734200000000, 0.0030375600000000 ] - [ -0.0003867900000000, 0.0001381700000000, 0.0002406100000000 ] - [ -0.0001829900000000, 0.0001025200000000, -0.0001028100000000 ] - [ -0.0005061100000000, 0.0001988200000000, -0.0001354200000000 ] - [ -0.0005090100000000, -0.0011468700000000, 0.0003195200000000 ] - [ 0.0018826500000000, -0.0017811900000000, -0.0009772300000000 ] - [ 0.0000624400000000, -0.0004365900000000, 0.0014441600000000 ] - [ 0.0003643800000000, 0.0000044600000000, 0.0003875000000000 ] - [ -0.0951782100000000, 0.0813004200000000, 0.0341067500000000 ] - [ 0.0001368700000000, 0.0005158300000000, -0.0005074400000000 ] - [ -0.0001539600000000, -0.0003598900000000, -0.0001674300000000 ] - [ -0.0006344100000000, -0.0003595500000000, -0.0000302200000000 ] - [ 0.0001005700000000, -0.0004303000000000, 0.0003395000000000 ] - [ -0.0002592000000000, -0.0005995400000000, 0.0002989100000000 ] - [ 0.0000662700000000, 0.0000747200000000, -0.0000817100000000 ] - [ 0.0004067400000000, -0.0000557300000000, -0.0000549800000000 ] - [ -0.0001808800000000, -0.0003199100000000, 0.0001463600000000 ] - [ -0.0000435000000000, -0.0001540100000000, 0.0001955300000000 ] - [ -0.0005273300000000, -0.0010901500000000, -0.0006883500000000 ] - [ 0.0002265700000000, -0.0012816100000000, -0.0006416600000000 ] - [ 0.0003773500000000, 0.0002572600000000, -0.0007051500000000 ] - [ -0.0002181300000000, 0.0002985300000000, -0.0008008400000000 ] - [ 0.0216076400000000, -0.0209182800000000, -0.0114330300000000 ] - [ 0.0001243200000000, 0.0008232200000000, 0.0000780300000000 ] - [ -0.0004139200000000, -0.0002747900000000, 0.0002291400000000 ] - [ -0.0006318900000000, -0.0006820900000000, 0.0007421800000000 ] - [ -0.0034048100000000, -0.0029666100000000, -0.0014711900000000 ] - [ 0.0006088500000000, -0.0003216100000000, 0.0000773300000000 ] - [ 0.0002141800000000, 0.0003707500000000, 0.0001114900000000 ] - [ 0.0004026100000000, 0.0002011700000000, -0.0000220900000000 ] - [ 0.0020155500000000, -0.0004398700000000, 0.0034077400000000 ] - [ 0.0001390100000000, 0.0002569800000000, 0.0000861800000000 ] - [ -0.0005032400000000, 0.0009418800000000, -0.0003866900000000 ] - [ -0.0006733200000000, 0.0011897100000000, 0.0000276400000000 ] - [ -0.0008358800000000, -0.0026111800000000, -0.0001081100000000 ] - [ -0.0004996200000000, -0.0015251800000000, -0.0000849700000000 ] - [ 0.0004009700000000, 0.0008551500000000, 0.0003399700000000 ] - [ 0.0007247900000000, 0.0009183400000000, 0.0002844300000000 ] - [ 0.0106599600000000, 0.0042714000000000, 0.0009213800000000 ] - [ 0.0003647400000000, -0.0001216200000000, -0.0009501900000000 ] - [ -0.0003317400000000, 0.0008304600000000, 0.0002639700000000 ] - [ -0.0000542100000000, 0.0005879600000000, -0.0002314800000000 ] - [ -0.0000847800000000, -0.0010301500000000, 0.0003182200000000 ] - [ -0.0001787500000000, -0.0008188800000000, 0.0001817700000000 ] - [ 0.0005443500000000, 0.0001572100000000, 0.0001124900000000 ] - [ -0.0000949600000000, -0.0000197500000000, -0.0000552000000000 ] - [ -0.0128352000000000, 0.0078890100000000, 0.0104675500000000 ] - [ 0.0014794300000000, 0.0008380500000000, -0.0006032600000000 ] - [ -0.0013642000000000, 0.0178736700000000, -0.0085135000000000 ] - [ -0.0002524000000000, -0.0004476900000000, 0.0008519000000000 ] - [ -0.0004209200000000, -0.0011034600000000, -0.0000055200000000 ] - [ 0.0003400900000000, -0.0012709200000000, 0.0001610900000000 ] - [ 0.0030159500000000, -0.0010054200000000, 0.0018630800000000 ] - [ -0.0026642600000000, 0.0001347400000000, 0.0016879000000000 ] - [ 0.0005966700000000, 0.0011211800000000, 0.0000154300000000 ] - [ 0.0000321300000000, 0.0006715900000000, 0.0002199600000000 ] - [ -0.0028673700000000, 0.0018540400000000, -0.0062008900000000 ] - [ 0.0009167600000000, -0.0011050700000000, 0.0008665300000000 ] - [ 0.0003114800000000, -0.0000800600000000, -0.0007710200000000 ] - [ -0.0002676000000000, -0.0000161400000000, -0.0008002400000000 ] - [ 0.0018942300000000, 0.0043812100000000, -0.0015446900000000 ] - [ -0.0015559600000000, 0.0006691600000000, -0.0001656600000000 ] - [ 0.0001512700000000, 0.0003545200000000, 0.0003886500000000 ] - [ 0.0003499000000000, 0.0005076200000000, -0.0010173000000000 ] - [ 0.0689330600000000, -0.0720782100000000, -0.0279741500000000 ] - [ -0.0007585400000000, -0.0016922400000000, 0.0010232500000000 ] - [ -0.0008357700000000, 0.0004578000000000, 0.0005514100000000 ] - [ 0.0004705700000000, 0.0006721700000000, 0.0006169500000000 ] - [ 0.0006636300000000, 0.0017910800000000, -0.0000299300000000 ] - [ 0.0008084900000000, 0.0014531000000000, 0.0000128800000000 ] - [ 0.0004256500000000, -0.0001206900000000, -0.0001107400000000 ] - [ -0.0000424900000000, -0.0000639200000000, -0.0001189400000000 ] - [ -0.0002006300000000, -0.0002129200000000, -0.0010018500000000 ] - [ -0.0003460700000000, -0.0000660000000000, -0.0002119300000000 ] - [ -0.0008326400000000, 0.0005747000000000, -0.0001600300000000 ] - [ 0.0006876400000000, 0.0013040800000000, 0.0001437300000000 ] - [ 0.0001597600000000, 0.0003702000000000, -0.0000068800000000 ] - [ 0.0001833800000000, 0.0003370700000000, 0.0000331300000000 ] - [ 0.0008269400000000, -0.0016783400000000, -0.0034148000000000 ] - [ -0.0002343500000000, -0.0007258300000000, -0.0000215100000000 ] - [ 0.0003795000000000, 0.0013673000000000, 0.0008443900000000 ] - [ -0.0004756300000000, 0.0002431600000000, 0.0001200300000000 ] - [ 0.0005837300000000, 0.0003858400000000, 0.0000314500000000 ] - [ 0.0056646900000000, -0.0085774300000000, 0.0049849100000000 ] - [ 0.0001581900000000, -0.0014420800000000, -0.0009903900000000 ] - [ 0.0000796600000000, -0.0011478700000000, -0.0002908900000000 ] - [ 0.0009414700000000, 0.0017796700000000, -0.0013980100000000 ] - [ -0.0004990400000000, 0.0011254900000000, 0.0000172000000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001352200000000, 0.0028939200000000, -0.0008422600000000 ] - [ 0.0001262100000000, -0.0003328800000000, -0.0004921000000000 ] - [ -0.0007471000000000, 0.0003762800000000, 0.0005271900000000 ] - [ 0.0025400300000000, 0.0014559900000000, 0.0043339300000000 ] - [ 0.0035306500000000, 0.0022928700000000, 0.0006355400000000 ] - [ -0.0009848800000000, -0.0001080100000000, 0.0005974100000000 ] - [ -0.0000318300000000, -0.0001498600000000, 0.0006194500000000 ] - [ -0.0000336400000000, -0.0001135700000000, 0.0004419900000000 ] - [ 0.0008033300000000, 0.0006855200000000, -0.0028689000000000 ] - [ -0.0007301600000000, -0.0001956600000000, -0.0005988500000000 ] - [ -0.0013199800000000, 0.0005629800000000, 0.0012533800000000 ] - [ 0.0006957200000000, 0.0005302700000000, 0.0015853400000000 ] - [ 0.0016365500000000, 0.0002821300000000, -0.0012165200000000 ] - [ -0.0054391200000000, 0.0041818400000000, -0.0003033000000000 ] - [ 0.0006471400000000, 0.0000657400000000, 0.0003628400000000 ] - [ 0.0005162800000000, 0.0000377600000000, 0.0001283100000000 ] - [ 0.0016008000000000, -0.0005561900000000, -0.0002027400000000 ] - [ -0.0042524600000000, -0.0026574700000000, -0.0004030100000000 ] - [ -0.0008714400000000, 0.0000310500000000, 0.0013954400000000 ] - [ -0.0006397000000000, 0.0000735900000000, 0.0009267500000000 ] - [ 0.0000486300000000, -0.0001776500000000, -0.0007589000000000 ] - [ -0.0000055200000000, -0.0002741800000000, -0.0003360900000000 ] - [ -0.0003604200000000, -0.0005455800000000, 0.0002904100000000 ] - [ 0.0007644200000000, -0.0001230600000000, 0.0001202100000000 ] - [ 0.0057451500000000, -0.0053749200000000, 0.0011401600000000 ] - [ -0.0015974000000000, -0.0000106900000000, 0.0001623200000000 ] - [ -0.0000310700000000, 0.0000103700000000, 0.0004149900000000 ] - [ -0.0000771900000000, 0.0001116300000000, 0.0007345100000000 ] - [ 0.0007802900000000, -0.0001350900000000, -0.0016824800000000 ] - [ 0.0013055300000000, -0.0007469400000000, -0.0014100600000000 ] - [ 0.0010472600000000, -0.0005874500000000, 0.0011519200000000 ] - [ -0.0000173500000000, -0.0000463600000000, 0.0006234500000000 ] - [ 0.1577780400000000, -0.0344621500000000, -0.1451704800000000 ] - [ -0.0005368200000000, 0.0005053100000000, -0.0011622100000000 ] - [ -0.0003963400000000, 0.0000329100000000, 0.0004921100000000 ] - [ -0.0000076700000000, 0.0001706200000000, 0.0004928000000000 ] - [ 0.0005124300000000, 0.0003368700000000, -0.0003260900000000 ] - [ 0.0002750400000000, 0.0002974800000000, -0.0002618800000000 ] - [ 0.0005816700000000, -0.0000764900000000, 0.0011211100000000 ] - [ 0.0003639600000000, -0.0000520200000000, 0.0005393200000000 ] - [ -0.0000399900000000, 0.0002134100000000, 0.0009659800000000 ] - [ -0.0001110300000000, 0.0000753500000000, 0.0006282200000000 ] - [ 0.0001356800000000, 0.0016823100000000, -0.0003434300000000 ] - [ -0.0007276700000000, 0.0016119800000000, 0.0004020800000000 ] - [ -0.0001841200000000, 0.0005904400000000, 0.0000092500000000 ] - [ 0.0003880500000000, 0.0014019300000000, 0.0003017100000000 ] - [ -0.0112807900000000, 0.0183743800000000, -0.0053004000000000 ] - [ -0.0000512800000000, 0.0002202500000000, -0.0004045100000000 ] - [ -0.0007833400000000, -0.0004248700000000, 0.0008593900000000 ] - [ -0.0005614100000000, -0.0004845000000000, 0.0010677900000000 ] - [ 0.0009010300000000, 0.0030624100000000, -0.0020013500000000 ] - [ -0.0022766100000000, 0.0011076700000000, -0.0015306300000000 ] - [ 0.0000217900000000, 0.0011760900000000, 0.0017417500000000 ] - [ -0.0002033500000000, 0.0005116700000000, 0.0009069100000000 ] - [ -0.0010353700000000, -0.0019593100000000, -0.0049874800000000 ] - [ -0.0005327100000000, -0.0007350200000000, -0.0014480700000000 ] - [ -0.0009168300000000, 0.0011754800000000, 0.0004312900000000 ] - [ -0.0007586400000000, 0.0011058400000000, 0.0007647600000000 ] - [ -0.0006725500000000, -0.0003568800000000, -0.0003684200000000 ] - [ -0.0007100100000000, -0.0008530200000000, -0.0003051000000000 ] - [ 0.0003331600000000, 0.0009758500000000, 0.0012919800000000 ] - [ 0.0002811200000000, 0.0008612200000000, 0.0010917400000000 ] - [ 0.0166495600000000, -0.0055203600000000, -0.0055433700000000 ] - [ -0.0006511300000000, -0.0004667400000000, -0.0021246400000000 ] - [ 0.0003782300000000, 0.0007304500000000, -0.0013725100000000 ] - [ 0.0001008200000000, 0.0006994100000000, 0.0005139400000000 ] - [ -0.0000367000000000, -0.0004459000000000, 0.0003640900000000 ] - [ -0.0002709100000000, -0.0002488700000000, 0.0004305300000000 ] - [ 0.0000531800000000, 0.0004853600000000, 0.0003287100000000 ] - [ 0.0003704700000000, 0.0005994600000000, 0.0003431300000000 ] - [ -0.0281428500000000, -0.0037205400000000, 0.0057585400000000 ] - [ 0.0008448700000000, 0.0002652300000000, -0.0012899700000000 ] - [ -0.0011617100000000, -0.0100863800000000, 0.0113706400000000 ] - [ 0.0004244200000000, -0.0000674700000000, 0.0017355600000000 ] - [ 0.0013026800000000, -0.0007140800000000, -0.0015124700000000 ] - [ -0.0018707500000000, -0.0033983700000000, -0.0038853400000000 ] - [ -0.0024682700000000, -0.0038559100000000, 0.0017079300000000 ] - [ 0.0046121000000000, -0.0012590500000000, -0.0022227200000000 ] - [ 0.0002801900000000, 0.0000934400000000, -0.0010768300000000 ] - [ 0.0003889200000000, 0.0003122300000000, -0.0006375100000000 ] - [ -0.0053365300000000, 0.0058041400000000, 0.0033516100000000 ] - [ 0.0036439900000000, 0.0000768600000000, 0.0037392900000000 ] - [ 0.0001778300000000, -0.0006058300000000, -0.0031722600000000 ] - [ -0.0000402100000000, -0.0001908800000000, -0.0022207500000000 ] - [ 0.0000290100000000, -0.0021886200000000, 0.0034604700000000 ] - [ -0.0000138900000000, -0.0014487600000000, 0.0018295800000000 ] - [ 0.0010695600000000, 0.0003685600000000, -0.0007872700000000 ] - [ -0.0007645200000000, 0.0006266400000000, -0.0011714000000000 ] - [ -0.1393511600000000, 0.0283141500000000, 0.1211759500000000 ] - [ 0.0003863400000000, -0.0008975100000000, 0.0024477100000000 ] - [ 0.0003050500000000, -0.0007067300000000, -0.0006483300000000 ] - [ -0.0004167700000000, -0.0011915000000000, -0.0009386800000000 ] - [ -0.0000425100000000, -0.0010347400000000, 0.0008076400000000 ] - [ 0.0005176200000000, -0.0012670900000000, 0.0006024200000000 ] - [ -0.0000865000000000, -0.0003844900000000, -0.0029401400000000 ] - [ 0.0001810800000000, -0.0003798900000000, -0.0014682200000000 ] - [ -0.0003093100000000, 0.0008811100000000, -0.0037425100000000 ] - [ -0.0002409800000000, 0.0003349700000000, -0.0001106900000000 ] - [ 0.0001637000000000, -0.0002152900000000, 0.0004035800000000 ] - [ -0.0003863800000000, -0.0002544800000000, 0.0003992400000000 ] - [ 0.0001002300000000, 0.0002063700000000, -0.0004663200000000 ] - [ 0.0001488600000000, 0.0001675100000000, -0.0004127000000000 ] - [ -0.0007307100000000, 0.0021682300000000, 0.0170315700000000 ] - [ -0.0000281400000000, -0.0002936500000000, 0.0000992200000000 ] - [ -0.0001446000000000, -0.0003841800000000, -0.0000144300000000 ] - [ -0.0001523000000000, -0.0003491000000000, 0.0004215700000000 ] - [ 0.0029096100000000, 0.0024134800000000, 0.0018277700000000 ] - [ 0.0029882000000000, -0.0036648700000000, 0.0073568700000000 ] - [ -0.0006083200000000, -0.0003492700000000, -0.0032327300000000 ] - [ 0.0005016500000000, -0.0003751100000000, -0.0022485500000000 ] - [ 0.0004236100000000, 0.0027030000000000, -0.0001541800000000 ] - [ 0.0000044100000000, 0.0011735100000000, 0.0000584400000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0002533200000000, -0.0029697800000000, 0.0009216200000000 ] - [ -0.0000049500000000, 0.0002552500000000, 0.0005680900000000 ] - [ 0.0008675700000000, -0.0002966000000000, -0.0006027200000000 ] - [ -0.0023993200000000, -0.0013743100000000, -0.0043619400000000 ] - [ -0.0036781800000000, -0.0023829900000000, -0.0007198500000000 ] - [ 0.0008637700000000, 0.0000323000000000, -0.0006766000000000 ] - [ -0.0000892200000000, 0.0002298100000000, -0.0005433900000000 ] - [ -0.0000863100000000, 0.0001909700000000, -0.0003651700000000 ] - [ -0.0018808900000000, -0.0007953300000000, 0.0024966300000000 ] - [ -0.0003401800000000, 0.0000894800000000, 0.0002225900000000 ] - [ 0.0002489100000000, -0.0004565100000000, -0.0008770700000000 ] - [ -0.0017619800000000, -0.0004199700000000, -0.0012025400000000 ] - [ -0.0005632500000000, -0.0003854600000000, 0.0015947300000000 ] - [ 0.0065248600000000, -0.0043057400000000, 0.0006750700000000 ] - [ 0.0004263700000000, 0.0000422800000000, -0.0007366400000000 ] - [ 0.0005572300000000, 0.0000687300000000, -0.0005026700000000 ] - [ -0.0025519100000000, 0.0004147500000000, -0.0006330900000000 ] - [ 0.0033165500000000, 0.0025432100000000, -0.0004621900000000 ] - [ -0.0000776000000000, 0.0000943400000000, -0.0005367000000000 ] - [ -0.0003065500000000, 0.0000514300000000, -0.0000695700000000 ] - [ 0.0008955100000000, 0.0000503900000000, 0.0016137800000000 ] - [ 0.0009531100000000, 0.0001457400000000, 0.0011918100000000 ] - [ 0.0013079700000000, 0.0006704600000000, -0.0011458200000000 ] - [ 0.0001809900000000, 0.0002485300000000, -0.0009724100000000 ] - [ -0.0064247200000000, 0.0052717400000000, -0.0006585800000000 ] - [ 0.0009810000000000, -0.0001354400000000, 0.0003233100000000 ] - [ -0.0005896700000000, 0.0001350400000000, -0.0009034100000000 ] - [ -0.0005424800000000, 0.0000338100000000, -0.0012214600000000 ] - [ -0.0001590100000000, -0.0000131100000000, 0.0011930900000000 ] - [ -0.0006792300000000, 0.0005947300000000, 0.0009185300000000 ] - [ -0.0004273200000000, 0.0007324300000000, -0.0006569700000000 ] - [ 0.0006383400000000, 0.0001917700000000, -0.0001326900000000 ] - [ -0.1551782500000000, 0.0342903000000000, 0.1464630700000000 ] - [ -0.0000540300000000, -0.0002468600000000, 0.0009003600000000 ] - [ -0.0001982700000000, -0.0002908200000000, -0.0002321000000000 ] - [ -0.0005869700000000, -0.0004268500000000, -0.0002312900000000 ] - [ 0.0000834300000000, -0.0000806700000000, 0.0005860800000000 ] - [ 0.0003198200000000, -0.0000406900000000, 0.0005211600000000 ] - [ 0.0000223000000000, -0.0001782400000000, -0.0013746500000000 ] - [ 0.0002317200000000, -0.0002051900000000, -0.0007989000000000 ] - [ -0.0001252900000000, -0.0003332600000000, -0.0005349000000000 ] - [ -0.0000550800000000, -0.0002043900000000, -0.0001995700000000 ] - [ -0.0003010100000000, -0.0015562000000000, -0.0000840500000000 ] - [ 0.0005615100000000, -0.0014837900000000, -0.0008341300000000 ] - [ 0.0003514700000000, -0.0007191300000000, -0.0004385400000000 ] - [ -0.0002216600000000, -0.0015244500000000, -0.0007287400000000 ] - [ 0.0113461100000000, -0.0180270000000000, 0.0056664900000000 ] - [ 0.0002190200000000, -0.0000890600000000, 0.0008319000000000 ] - [ 0.0000346900000000, 0.0003073900000000, -0.0007648900000000 ] - [ -0.0001882700000000, 0.0003689900000000, -0.0009716100000000 ] - [ -0.0016509900000000, -0.0029478800000000, 0.0019153800000000 ] - [ 0.0015307800000000, -0.0009906800000000, 0.0014365900000000 ] - [ 0.0007235700000000, -0.0012884700000000, -0.0018276900000000 ] - [ 0.0009531700000000, -0.0006271500000000, -0.0010000200000000 ] - [ 0.0017744900000000, 0.0020601200000000, 0.0050783600000000 ] - [ 0.0012832600000000, 0.0008535200000000, 0.0015424600000000 ] - [ -0.0000649700000000, 0.0005761700000000, -0.0014683700000000 ] - [ -0.0002287700000000, 0.0006549300000000, -0.0017858300000000 ] - [ -0.0003087300000000, -0.0013955700000000, 0.0014064900000000 ] - [ -0.0002727700000000, -0.0008985000000000, 0.0013411500000000 ] - [ 0.0006477100000000, 0.0007756700000000, -0.0002510200000000 ] - [ 0.0007008000000000, 0.0008893000000000, -0.0000520100000000 ] - [ -0.0156133200000000, 0.0036900800000000, 0.0045581200000000 ] - [ 0.0016379200000000, -0.0012817700000000, 0.0010819100000000 ] - [ -0.0008003800000000, 0.0000301200000000, 0.0008180800000000 ] - [ -0.0005161000000000, 0.0000545100000000, -0.0011450000000000 ] - [ -0.0003793800000000, -0.0003074600000000, 0.0002680700000000 ] - [ -0.0001441100000000, -0.0005051100000000, 0.0001999300000000 ] - [ 0.0003630400000000, 0.0002669200000000, 0.0003030700000000 ] - [ 0.0000436100000000, 0.0001545100000000, 0.0002882600000000 ] - [ 0.0280610300000000, 0.0027695800000000, -0.0063007600000000 ] - [ -0.0004244800000000, -0.0010157300000000, 0.0006566500000000 ] - [ 0.0008394900000000, 0.0094854400000000, -0.0107247700000000 ] - [ -0.0007473800000000, -0.0005598000000000, -0.0010845100000000 ] - [ -0.0016237600000000, 0.0013339700000000, 0.0008604900000000 ] - [ 0.0015482200000000, 0.0040033400000000, 0.0032209800000000 ] - [ 0.0027878700000000, 0.0032363500000000, -0.0023730000000000 ] - [ -0.0042854200000000, 0.0006295100000000, 0.0015790600000000 ] - [ 0.0000399000000000, 0.0005239700000000, 0.0017222500000000 ] - [ -0.0000707300000000, 0.0003127000000000, 0.0012857100000000 ] - [ 0.0053692000000000, -0.0061334200000000, -0.0018549900000000 ] - [ -0.0036516500000000, -0.0005116000000000, -0.0021203700000000 ] - [ -0.0001832700000000, 0.0010362600000000, 0.0015557400000000 ] - [ 0.0000327900000000, 0.0006220400000000, 0.0006082700000000 ] - [ -0.0000237900000000, 0.0017551100000000, -0.0050662300000000 ] - [ 0.0000164900000000, 0.0010177100000000, -0.0034362700000000 ] - [ -0.0010642000000000, 0.0000638100000000, 0.0023943400000000 ] - [ 0.0007713600000000, -0.0001975000000000, 0.0027700700000000 ] - [ 0.1360865700000000, -0.0277426800000000, -0.1215699100000000 ] - [ -0.0007315500000000, 0.0007430500000000, -0.0023841700000000 ] - [ -0.0006424800000000, 0.0008599500000000, 0.0005858400000000 ] - [ 0.0000823100000000, 0.0013379800000000, 0.0008738100000000 ] - [ 0.0003781100000000, 0.0008836900000000, -0.0008708200000000 ] - [ -0.0001805400000000, 0.0011155500000000, -0.0006620300000000 ] - [ 0.0004085100000000, 0.0005076800000000, 0.0029774900000000 ] - [ 0.0001542000000000, 0.0005309300000000, 0.0015287600000000 ] - [ 0.0000103700000000, -0.0005101100000000, 0.0037833600000000 ] - [ -0.0000604700000000, 0.0000352000000000, 0.0001655000000000 ] - [ -0.0004673800000000, -0.0001522600000000, -0.0004603100000000 ] - [ 0.0000867000000000, -0.0001130100000000, -0.0004555000000000 ] - [ 0.0002023100000000, 0.0001603200000000, 0.0004092800000000 ] - [ 0.0001524500000000, 0.0001997000000000, 0.0003560000000000 ] - [ 0.0012270000000000, -0.0027711300000000, -0.0181347200000000 ] - [ 0.0003267900000000, -0.0000762900000000, -0.0000427600000000 ] - [ -0.0000631600000000, -0.0007926200000000, 0.0007171100000000 ] - [ -0.0000576000000000, -0.0008299000000000, 0.0002790100000000 ] - [ -0.0031170000000000, -0.0012329600000000, -0.0025242500000000 ] - [ -0.0030970700000000, 0.0047471000000000, -0.0080576600000000 ] - [ 0.0008163100000000, -0.0008311800000000, 0.0025293800000000 ] - [ -0.0002859400000000, -0.0008003200000000, 0.0015424700000000 ] - [ -0.0002136500000000, -0.0015251600000000, 0.0008565800000000 ] - [ 0.0002007100000000, 0.0000094800000000, 0.0006434200000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000850400000000, 0.0001726900000000, 0.0002622500000000 ] - [ 0.0001862700000000, -0.0001357600000000, -0.0000233600000000 ] - [ 0.0005164500000000, 0.0002199100000000, 0.0001864900000000 ] - [ -0.0006123500000000, 0.0003791400000000, -0.0002234000000000 ] - [ 0.0003302100000000, -0.0005687700000000, -0.0012632500000000 ] - [ 0.0003766600000000, 0.0002619400000000, 0.0002892000000000 ] - [ -0.0055411400000000, -0.0098099000000000, -0.0006426100000000 ] - [ 0.0005709500000000, -0.0000744000000000, 0.0001002800000000 ] - [ -0.0008802000000000, -0.0000937700000000, 0.0000043900000000 ] - [ -0.0002646000000000, -0.0000045900000000, -0.0002508200000000 ] - [ 0.0005378400000000, -0.0004694800000000, 0.0006177500000000 ] - [ -0.0007235800000000, 0.0005643100000000, -0.0001161900000000 ] - [ 0.0010453400000000, -0.0001547100000000, -0.0002177500000000 ] - [ 0.0005416500000000, 0.0001344600000000, 0.0006022700000000 ] - [ 0.0017366500000000, 0.0192050100000000, 0.0132495600000000 ] - [ 0.0014765500000000, 0.0000514500000000, 0.0000252400000000 ] - [ -0.0004653000000000, -0.0001557200000000, -0.0006461700000000 ] - [ -0.0003343900000000, 0.0000332100000000, -0.0002851900000000 ] - [ -0.0013717600000000, 0.0000600900000000, 0.0003644300000000 ] - [ 0.0001399200000000, 0.0000723400000000, 0.0002601800000000 ] - [ -0.0000352200000000, -0.0001489000000000, 0.0002806300000000 ] - [ 0.0008877900000000, -0.0000683100000000, 0.0005533100000000 ] - [ 0.0012502000000000, 0.0001444400000000, -0.0001983500000000 ] - [ 0.0016949100000000, 0.0001904100000000, -0.0024120700000000 ] - [ -0.0006965700000000, -0.0001672700000000, 0.0001402200000000 ] - [ -0.0000797300000000, 0.0000155500000000, 0.0002801100000000 ] - [ 0.0002766400000000, -0.0000299600000000, -0.0001924100000000 ] - [ -0.0008296600000000, -0.0000694000000000, -0.0006116100000000 ] - [ 0.0002686700000000, -0.0001191900000000, -0.0001536500000000 ] - [ 0.0004685000000000, -0.0001544500000000, -0.0002946700000000 ] - [ -0.0026891000000000, 0.0003513500000000, -0.0019437500000000 ] - [ 0.0010817100000000, 0.0000817200000000, 0.0004647800000000 ] - [ -0.0006873200000000, 0.0002260900000000, -0.0000889800000000 ] - [ 0.0000009500000000, 0.0000902700000000, -0.0001596800000000 ] - [ 0.0004423400000000, 0.0001797800000000, 0.0007799000000000 ] - [ -0.0005023200000000, -0.0005707600000000, -0.0000840200000000 ] - [ 0.0006912000000000, 0.0004210800000000, -0.0001344600000000 ] - [ 0.0001607400000000, -0.0001744000000000, 0.0004383600000000 ] - [ 0.0026864000000000, -0.0217214500000000, 0.0110965900000000 ] - [ 0.0012529000000000, -0.0001679800000000, 0.0000010700000000 ] - [ -0.0740699000000000, 0.0024564900000000, 0.0076765300000000 ] - [ 0.0004021400000000, -0.0001095500000000, 0.0001987600000000 ] - [ 0.0004066800000000, 0.0004191100000000, -0.0011761400000000 ] - [ 0.0004138500000000, -0.0003799800000000, 0.0006858800000000 ] - [ 0.0004261300000000, -0.0000764600000000, -0.0000088700000000 ] - [ -0.0001760300000000, -0.0000396700000000, -0.0001411000000000 ] - [ -0.0000713000000000, 0.0000777400000000, 0.0002898900000000 ] - [ 0.0002066000000000, 0.0001207100000000, 0.0002104200000000 ] - [ 0.0003917700000000, 0.0000266300000000, -0.0001339700000000 ] - [ 0.0007701000000000, -0.0090761600000000, -0.0190511100000000 ] - [ -0.0006670300000000, 0.0002155100000000, -0.0006066500000000 ] - [ -0.0000050400000000, -0.0000189900000000, 0.0004096100000000 ] - [ -0.0004687500000000, -0.0001270200000000, 0.0001776500000000 ] - [ 0.0009161900000000, -0.0001369900000000, -0.0002229800000000 ] - [ 0.0002515300000000, 0.0000616900000000, 0.0000238300000000 ] - [ 0.0005270700000000, 0.0001091600000000, 0.0001616000000000 ] - [ 0.0002660900000000, 0.0007942000000000, -0.0007210900000000 ] - [ 0.0004380600000000, 0.0122500700000000, -0.0190813200000000 ] - [ -0.0007696500000000, -0.0008435300000000, 0.0000696500000000 ] - [ -0.0001805600000000, -0.0010123700000000, 0.0008953600000000 ] - [ -0.0002864900000000, 0.0010006300000000, 0.0006784900000000 ] - [ 0.0009015600000000, 0.0008945200000000, 0.0004083200000000 ] - [ 0.0003547300000000, -0.0009114500000000, -0.0005863300000000 ] - [ 0.0006326300000000, -0.0008190500000000, -0.0004542000000000 ] - [ -0.0057364300000000, 0.0090282200000000, -0.0003619600000000 ] - [ 0.0004477000000000, 0.0004959200000000, -0.0002746800000000 ] - [ -0.0003427000000000, -0.0000748400000000, -0.0002823600000000 ] - [ 0.0000491100000000, -0.0006890600000000, 0.0003756300000000 ] - [ 0.0007242700000000, 0.0001462600000000, 0.0005756900000000 ] - [ -0.0002488000000000, 0.0001439100000000, 0.0001270700000000 ] - [ -0.0000004100000000, -0.0004116300000000, -0.0003006600000000 ] - [ 0.0004125200000000, -0.0002250900000000, -0.0004524300000000 ] - [ 0.0003706900000000, -0.0004177500000000, 0.0001105800000000 ] - [ -0.0005846000000000, -0.0002681700000000, 0.0003495300000000 ] - [ -0.0014337500000000, 0.0002298100000000, -0.0008562900000000 ] - [ 0.0009389500000000, -0.0006703300000000, -0.0002263300000000 ] - [ -0.0005832500000000, -0.0001665300000000, 0.0015625100000000 ] - [ -0.0006967900000000, -0.0010727800000000, -0.0017393300000000 ] - [ 0.0400415700000000, 0.0000605700000000, 0.0013886400000000 ] - [ -0.0015751800000000, 0.0003468900000000, 0.0002153900000000 ] - [ 0.0002453400000000, -0.0000983500000000, 0.0009305200000000 ] - [ -0.0002710900000000, -0.0003204900000000, 0.0006552500000000 ] - [ 0.0014752800000000, 0.0003991000000000, -0.0002207700000000 ] - [ -0.0010310000000000, 0.0002514000000000, -0.0006257000000000 ] - [ 0.0006343900000000, -0.0003186700000000, -0.0003055400000000 ] - [ -0.0005922300000000, -0.0001107000000000, -0.0012321200000000 ] - [ -0.0015274300000000, 0.0002415600000000, 0.0005203400000000 ] - [ 0.0019436300000000, -0.0001382500000000, 0.0112415200000000 ] - [ 0.0004187900000000, -0.0000120600000000, -0.0001828300000000 ] - [ -0.0006574200000000, -0.0002571000000000, 0.0000752600000000 ] - [ -0.0013108900000000, 0.0001487500000000, -0.0003604800000000 ] - [ 0.0008644300000000, 0.0008388100000000, -0.0001317000000000 ] - [ -0.0001593100000000, -0.0011415200000000, 0.0010374100000000 ] - [ -0.0001822700000000, 0.0013044300000000, -0.0008521200000000 ] - [ 0.0405099500000000, -0.0007339800000000, 0.0018240000000000 ] - [ -0.0015902200000000, 0.0001777600000000, 0.0000496800000000 ] - [ 0.0000732200000000, 0.0001805400000000, -0.0019623900000000 ] - [ -0.0007774500000000, -0.0000932500000000, 0.0001532200000000 ] - [ -0.0003353500000000, -0.0002110400000000, -0.0000359500000000 ] - [ 0.0000176800000000, -0.0001237400000000, -0.0000535400000000 ] - [ -0.0010090100000000, -0.0010713500000000, 0.0005508500000000 ] - [ -0.0004288000000000, 0.0006490400000000, 0.0000025600000000 ] - [ 0.0008196900000000, -0.0002653400000000, -0.0005122000000000 ] - [ -0.0002476200000000, -0.0001577000000000, 0.0000588200000000 ] - [ 0.0006584400000000, -0.0003726800000000, -0.0017903400000000 ] - [ -0.0012089000000000, -0.0000885200000000, 0.0007141800000000 ] - [ -0.0005306000000000, 0.0006251400000000, -0.0004667100000000 ] - [ 0.0003241600000000, 0.0003265000000000, 0.0001703200000000 ] - [ -0.0008813000000000, 0.0010783400000000, 0.0009125100000000 ] - [ -0.0008899800000000, -0.0015887200000000, -0.0004796300000000 ] - [ 0.0009344600000000, 0.0009929500000000, -0.0001474100000000 ] - [ -0.0005050600000000, 0.0005624000000000, 0.0004952000000000 ]- atom: 41 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002036500000000, -0.0002470800000000, -0.0001849300000000 ] - [ -0.0000674200000000, 0.0000604800000000, 0.0000998100000000 ] - [ -0.0003964600000000, -0.0001438200000000, -0.0002610800000000 ] - [ 0.0007294000000000, -0.0003037600000000, 0.0001478900000000 ] - [ -0.0004556700000000, 0.0005025300000000, 0.0011948000000000 ] - [ -0.0004910800000000, -0.0003326000000000, -0.0003637900000000 ] - [ 0.0054446400000000, 0.0097712600000000, 0.0007454400000000 ] - [ -0.0006878500000000, 0.0001489800000000, -0.0000260200000000 ] - [ -0.0001907000000000, -0.0000112000000000, -0.0003806700000000 ] - [ -0.0008054400000000, -0.0001001800000000, -0.0001254600000000 ] - [ -0.0016034200000000, 0.0005725200000000, -0.0002392000000000 ] - [ -0.0003477000000000, -0.0004594400000000, 0.0004942800000000 ] - [ 0.0000220100000000, 0.0000513000000000, 0.0005970500000000 ] - [ 0.0005303800000000, -0.0002358700000000, -0.0002211200000000 ] - [ -0.0007356400000000, -0.0192632100000000, -0.0137833900000000 ] - [ -0.0004056700000000, 0.0000522600000000, -0.0004029500000000 ] - [ -0.0004832500000000, 0.0000293300000000, -0.0002110000000000 ] - [ -0.0006145400000000, -0.0001591800000000, -0.0005718800000000 ] - [ 0.0004213800000000, 0.0000672700000000, 0.0004922900000000 ] - [ -0.0010879700000000, 0.0000543700000000, 0.0005959400000000 ] - [ 0.0009848000000000, 0.0000213300000000, 0.0005791600000000 ] - [ 0.0000625900000000, -0.0000589500000000, 0.0003054600000000 ] - [ -0.0002981100000000, -0.0000171300000000, -0.0006585200000000 ] - [ -0.0007401900000000, -0.0000630900000000, 0.0015551600000000 ] - [ 0.0000795700000000, 0.0000216100000000, 0.0003467200000000 ] - [ -0.0005377500000000, -0.0001614800000000, 0.0002074000000000 ] - [ -0.0008933200000000, 0.0001767700000000, -0.0002969000000000 ] - [ 0.0002119100000000, 0.0002170000000000, 0.0001227400000000 ] - [ 0.0003476100000000, -0.0000280600000000, -0.0003307600000000 ] - [ 0.0001480300000000, 0.0000074500000000, -0.0001905100000000 ] - [ 0.0032997500000000, -0.0002029700000000, 0.0024312800000000 ] - [ -0.0004635900000000, 0.0000651800000000, 0.0000237200000000 ] - [ 0.0000920200000000, 0.0000318000000000, -0.0001746700000000 ] - [ -0.0005957400000000, 0.0001674200000000, -0.0001039800000000 ] - [ -0.0010320800000000, -0.0004354900000000, -0.0005096100000000 ] - [ -0.0000918200000000, 0.0003138000000000, 0.0003528400000000 ] - [ -0.0000976700000000, -0.0001673800000000, 0.0004012400000000 ] - [ 0.0004337300000000, 0.0004270400000000, -0.0001710500000000 ] - [ -0.0021741600000000, 0.0216597500000000, -0.0115317400000000 ] - [ -0.0006573600000000, -0.0000880000000000, -0.0002695100000000 ] - [ 0.0738573600000000, -0.0024579900000000, -0.0078495700000000 ] - [ -0.0005739100000000, -0.0000196900000000, 0.0002233700000000 ] - [ -0.0005801000000000, -0.0002957500000000, 0.0007606900000000 ] - [ -0.0005726900000000, 0.0005016900000000, -0.0010999800000000 ] - [ -0.0002577500000000, -0.0000520900000000, -0.0004139900000000 ] - [ 0.0003426900000000, -0.0000891700000000, -0.0002810700000000 ] - [ 0.0002372800000000, 0.0000520000000000, 0.0001355900000000 ] - [ -0.0000398100000000, 0.0000081500000000, 0.0002136600000000 ] - [ -0.0011405900000000, -0.0001440400000000, 0.0002246000000000 ] - [ -0.0015024600000000, 0.0088797900000000, 0.0189164000000000 ] - [ -0.0000848000000000, -0.0001004600000000, 0.0005199200000000 ] - [ -0.0007428800000000, 0.0001346100000000, -0.0004963600000000 ] - [ 0.0012180800000000, 0.0000091100000000, -0.0002689900000000 ] - [ -0.0001632500000000, 0.0000198400000000, 0.0001299100000000 ] - [ 0.0005005300000000, 0.0000559200000000, 0.0000694500000000 ] - [ 0.0002244700000000, 0.0000083300000000, -0.0000683000000000 ] - [ -0.0012502000000000, 0.0009545900000000, -0.0003215900000000 ] - [ -0.0014140600000000, -0.0103985300000000, 0.0178234600000000 ] - [ -0.0002165600000000, -0.0009075500000000, 0.0009740100000000 ] - [ -0.0008043500000000, -0.0007375400000000, 0.0001495900000000 ] - [ 0.0012711500000000, 0.0007491000000000, 0.0003657500000000 ] - [ 0.0000854300000000, 0.0008544700000000, 0.0006335400000000 ] - [ 0.0006321600000000, -0.0008362300000000, -0.0004551400000000 ] - [ 0.0003536500000000, -0.0009291600000000, -0.0005872000000000 ] - [ 0.0053473200000000, -0.0081553200000000, -0.0002309000000000 ] - [ -0.0008635400000000, 0.0002603500000000, -0.0003556400000000 ] - [ -0.0000739400000000, -0.0006853700000000, 0.0009061500000000 ] - [ -0.0004647400000000, -0.0000708000000000, 0.0002493100000000 ] - [ -0.0003062700000000, 0.0006087700000000, 0.0000546300000000 ] - [ 0.0006649600000000, 0.0006108100000000, 0.0005030300000000 ] - [ 0.0004164800000000, -0.0003451100000000, -0.0003243900000000 ] - [ 0.0000040900000000, -0.0005300800000000, -0.0001751500000000 ] - [ -0.0006897400000000, -0.0002077600000000, 0.0005363400000000 ] - [ 0.0002647100000000, -0.0003574200000000, 0.0002981900000000 ] - [ 0.0011093900000000, 0.0003949900000000, 0.0002042900000000 ] - [ -0.0012562600000000, 0.0012955300000000, -0.0004249800000000 ] - [ 0.0009110600000000, -0.0004627700000000, -0.0022228900000000 ] - [ 0.0010060500000000, 0.0004396800000000, 0.0010793700000000 ] - [ -0.0396799400000000, 0.0013211700000000, -0.0000890300000000 ] - [ 0.0018926800000000, 0.0002816500000000, 0.0004368300000000 ] - [ -0.0002516500000000, -0.0003340300000000, 0.0006839000000000 ] - [ 0.0002652200000000, -0.0001114600000000, 0.0009589400000000 ] - [ -0.0014800200000000, 0.0000307000000000, -0.0013917200000000 ] - [ 0.0010230900000000, 0.0001795400000000, -0.0009865500000000 ] - [ -0.0006267900000000, -0.0001089200000000, -0.0013171600000000 ] - [ 0.0005979500000000, -0.0003181900000000, -0.0003882400000000 ] - [ 0.0015307100000000, 0.0001900400000000, 0.0010953700000000 ] - [ -0.0019426700000000, 0.0005650500000000, -0.0096494200000000 ] - [ -0.0007525700000000, -0.0001379100000000, 0.0002408800000000 ] - [ 0.0003217800000000, 0.0001068900000000, -0.0000150000000000 ] - [ 0.0009695100000000, 0.0000017400000000, 0.0002954000000000 ] - [ -0.0011991500000000, -0.0006869100000000, 0.0000642400000000 ] - [ 0.0004975300000000, 0.0010077300000000, -0.0011014200000000 ] - [ 0.0005154400000000, -0.0014373900000000, 0.0007876200000000 ] - [ -0.0400996400000000, -0.0000634500000000, -0.0011122600000000 ] - [ 0.0019242300000000, -0.0000283600000000, 0.0000164200000000 ] - [ -0.0003737100000000, 0.0001910700000000, 0.0020213300000000 ] - [ 0.0004778100000000, 0.0004620300000000, -0.0000970200000000 ] - [ 0.0000337300000000, -0.0001573300000000, -0.0000218100000000 ] - [ -0.0003182800000000, -0.0002445500000000, -0.0000045800000000 ] - [ 0.0013082200000000, 0.0014359700000000, -0.0006064200000000 ] - [ 0.0007324700000000, -0.0002818700000000, -0.0000569300000000 ] - [ -0.0005185200000000, -0.0001097800000000, 0.0005660400000000 ] - [ 0.0005488900000000, -0.0002118700000000, -0.0000021600000000 ] - [ -0.0008667100000000, -0.0008067700000000, 0.0024821500000000 ] - [ 0.0010009400000000, -0.0010909200000000, -0.0000140000000000 ] - [ 0.0003208700000000, 0.0005546300000000, -0.0002382100000000 ] - [ -0.0005320200000000, 0.0008524900000000, -0.0008773000000000 ] - [ 0.0010849700000000, -0.0022580300000000, -0.0016063200000000 ] - [ 0.0011024800000000, 0.0004046800000000, -0.0002180400000000 ] - [ -0.0007258000000000, 0.0001880000000000, 0.0008558200000000 ] - [ 0.0007130800000000, 0.0006189000000000, 0.0002090500000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002320100000000, 0.0009129200000000, 0.0006793500000000 ] - [ -0.0001840400000000, 0.0004622300000000, 0.0003780000000000 ] - [ -0.0004564700000000, 0.0002196500000000, -0.0003757600000000 ] - [ 0.0008828700000000, 0.0014047500000000, -0.0008610000000000 ] - [ -0.0025138200000000, -0.0019116900000000, 0.0024472800000000 ] - [ 0.0008030300000000, -0.0013196700000000, 0.0010187300000000 ] - [ -0.0095583000000000, 0.0435101000000000, 0.0029671800000000 ] - [ 0.0003841000000000, -0.0004518000000000, -0.0000287100000000 ] - [ 0.0001037900000000, 0.0006727600000000, -0.0008728400000000 ] - [ -0.0003621600000000, 0.0003467400000000, -0.0001833400000000 ] - [ -0.0031163200000000, 0.0018614100000000, -0.0007940900000000 ] - [ -0.0002707000000000, 0.0014155400000000, -0.0007519300000000 ] - [ 0.0000580400000000, -0.0011295400000000, 0.0008879800000000 ] - [ 0.0021095700000000, -0.0017604600000000, 0.0007658200000000 ] - [ 0.0125678100000000, 0.0178267500000000, 0.0220743800000000 ] - [ -0.0005128300000000, -0.0007398300000000, -0.0000998900000000 ] - [ -0.0008729300000000, 0.0005731300000000, 0.0000255900000000 ] - [ 0.0001126800000000, 0.0018270900000000, 0.0003175800000000 ] - [ -0.0000986600000000, 0.0036949300000000, 0.0006038000000000 ] - [ -0.0003022500000000, 0.0015062800000000, 0.0003147500000000 ] - [ 0.0003967700000000, -0.0008939100000000, 0.0006811900000000 ] - [ 0.0003665700000000, -0.0005342200000000, 0.0004252800000000 ] - [ 0.0001188100000000, -0.0018309400000000, -0.0004256500000000 ] - [ 0.0008268000000000, -0.0056962500000000, -0.0006035800000000 ] - [ -0.0006589300000000, 0.0019272500000000, 0.0009859800000000 ] - [ 0.0001318800000000, 0.0005431200000000, 0.0007277900000000 ] - [ -0.0005609400000000, 0.0014643900000000, -0.0003534700000000 ] - [ -0.0003759600000000, 0.0051149000000000, 0.0002172600000000 ] - [ 0.0005249300000000, -0.0009023900000000, 0.0002822400000000 ] - [ 0.0003131300000000, -0.0007468100000000, -0.0002437700000000 ] - [ 0.0008737500000000, -0.0066791100000000, 0.0001251700000000 ] - [ 0.0000988800000000, -0.0005704200000000, 0.0003043700000000 ] - [ -0.0005201300000000, 0.0003845000000000, 0.0001407000000000 ] - [ -0.0002808300000000, 0.0002187100000000, 0.0000073900000000 ] - [ 0.0016632700000000, 0.0012156400000000, 0.0016843000000000 ] - [ -0.0004022500000000, 0.0010292400000000, 0.0017545400000000 ] - [ 0.0010555800000000, -0.0001945600000000, -0.0005213700000000 ] - [ -0.0006467800000000, -0.0002330100000000, -0.0013283700000000 ] - [ -0.0132397600000000, 0.0211023700000000, -0.0185480800000000 ] - [ 0.0010803100000000, -0.0008877500000000, -0.0002902500000000 ] - [ 0.0023119100000000, -0.4255204400000000, 0.0025110100000000 ] - [ -0.0001283700000000, -0.0022049600000000, 0.0000775800000000 ] - [ 0.0003609900000000, -0.0029215200000000, -0.0009573600000000 ] - [ -0.0004433000000000, -0.0029197200000000, -0.0011262100000000 ] - [ 0.0000950900000000, 0.0023113600000000, -0.0004257300000000 ] - [ 0.0000587900000000, 0.0037795000000000, -0.0001858900000000 ] - [ 0.0000957200000000, 0.0017368900000000, 0.0000949800000000 ] - [ 0.0001392600000000, 0.0008605300000000, 0.0002273900000000 ] - [ -0.0005053500000000, -0.0014796900000000, 0.0008296900000000 ] - [ -0.0121359500000000, -0.0080111700000000, 0.0291935800000000 ] - [ -0.0001877000000000, -0.0017192500000000, 0.0010384000000000 ] - [ 0.0002654800000000, -0.0012429200000000, 0.0005560300000000 ] - [ 0.0008511900000000, 0.0041383500000000, 0.0005525300000000 ] - [ -0.0004646600000000, 0.0010130700000000, 0.0005912700000000 ] - [ 0.0006573500000000, 0.0012458600000000, 0.0009140500000000 ] - [ 0.0007176100000000, 0.0010403600000000, 0.0008023300000000 ] - [ -0.0006694100000000, -0.0002673700000000, -0.0010367300000000 ] - [ 0.0123163500000000, -0.0013627000000000, -0.0312065900000000 ] - [ -0.0004794300000000, -0.0019698700000000, -0.0005274500000000 ] - [ -0.0012569400000000, -0.0019308000000000, -0.0006570000000000 ] - [ -0.0002221800000000, 0.0044262400000000, 0.0012233800000000 ] - [ 0.0009842600000000, 0.0017853000000000, 0.0000529300000000 ] - [ 0.0002543700000000, -0.0003294400000000, -0.0005581100000000 ] - [ 0.0007371700000000, -0.0006337300000000, -0.0002692700000000 ] - [ 0.0085207100000000, 0.0409249800000000, 0.0002283900000000 ] - [ -0.0006671100000000, -0.0002370300000000, -0.0003585000000000 ] - [ 0.0013873000000000, -0.0007916000000000, -0.0020246400000000 ] - [ -0.0013540700000000, -0.0007153800000000, -0.0014965800000000 ] - [ 0.0008324700000000, 0.0005169200000000, 0.0007101200000000 ] - [ -0.0000207800000000, 0.0011800600000000, 0.0014180300000000 ] - [ -0.0000358300000000, -0.0003037100000000, -0.0003674400000000 ] - [ 0.0002988900000000, -0.0003690800000000, -0.0003728200000000 ] - [ -0.0010577900000000, -0.0025561500000000, 0.0002313100000000 ] - [ -0.0003586700000000, -0.0015820300000000, 0.0000644000000000 ] - [ 0.0024929600000000, -0.0016316300000000, 0.0012530100000000 ] - [ -0.0006218200000000, -0.0046579600000000, 0.0017604500000000 ] - [ 0.0012043800000000, 0.0055856800000000, -0.0022845700000000 ] - [ -0.0017484200000000, 0.0044075600000000, -0.0004124700000000 ] - [ 0.0035562200000000, 0.1260079000000000, 0.0395311000000000 ] - [ 0.0008784200000000, 0.0026844900000000, 0.0008729500000000 ] - [ 0.0005683800000000, -0.0017722100000000, -0.0003239700000000 ] - [ -0.0009919200000000, -0.0014096000000000, -0.0004466900000000 ] - [ -0.0005532400000000, -0.0099303400000000, -0.0023498100000000 ] - [ 0.0000381100000000, -0.0016631600000000, -0.0009107200000000 ] - [ -0.0000497700000000, 0.0020757000000000, -0.0010767400000000 ] - [ 0.0000912600000000, 0.0014859200000000, -0.0006518400000000 ] - [ 0.0004052800000000, 0.0029416300000000, 0.0004335900000000 ] - [ -0.0008179400000000, 0.0385960800000000, 0.0031682900000000 ] - [ 0.0004830100000000, -0.0016175000000000, -0.0001192400000000 ] - [ -0.0003702400000000, -0.0006998700000000, -0.0003058000000000 ] - [ -0.0026268800000000, -0.0020730700000000, -0.0011524600000000 ] - [ 0.0002544700000000, -0.0038951500000000, -0.0032750600000000 ] - [ -0.0017413200000000, 0.0026652800000000, 0.0024321800000000 ] - [ 0.0026076000000000, 0.0025205100000000, 0.0024362400000000 ] - [ -0.0029543100000000, 0.1700929800000000, -0.0478292300000000 ] - [ -0.0001640900000000, 0.0023737100000000, -0.0003521100000000 ] - [ 0.0010424700000000, 0.0000291400000000, 0.0042319200000000 ] - [ -0.0005215400000000, 0.0004806800000000, 0.0004156500000000 ] - [ -0.0002862300000000, -0.0002479900000000, -0.0000225300000000 ] - [ -0.0000585700000000, -0.0002032900000000, 0.0000177500000000 ] - [ -0.0033989900000000, -0.0031877200000000, 0.0008447000000000 ] - [ 0.0041196700000000, -0.0018785600000000, -0.0007978700000000 ] - [ 0.0009113100000000, -0.0009356800000000, -0.0054515100000000 ] - [ 0.0001265700000000, -0.0002388100000000, -0.0002047300000000 ] - [ -0.0014993100000000, 0.0004342100000000, -0.0053650300000000 ] - [ 0.0007174400000000, 0.0001615800000000, -0.0006389300000000 ] - [ 0.0001215500000000, 0.0013730600000000, -0.0002836400000000 ] - [ -0.0004367900000000, 0.0017853400000000, -0.0003667000000000 ] - [ 0.0049411900000000, -0.0059007300000000, -0.0023700500000000 ] - [ -0.0055705300000000, -0.0049939000000000, 0.0000503000000000 ] - [ -0.0010317300000000, -0.0065832800000000, 0.0055127600000000 ] - [ 0.0002154300000000, -0.0008238800000000, 0.0007492000000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001154600000000, -0.0009859200000000, -0.0006007300000000 ] - [ 0.0003015500000000, -0.0005348200000000, -0.0002986100000000 ] - [ 0.0005731300000000, -0.0001442400000000, 0.0002978700000000 ] - [ -0.0007661500000000, -0.0013337300000000, 0.0007823000000000 ] - [ 0.0023915900000000, 0.0018232200000000, -0.0025195100000000 ] - [ -0.0009199500000000, 0.0012360900000000, -0.0010919100000000 ] - [ 0.0098035200000000, -0.0445335000000000, -0.0028656900000000 ] - [ -0.0005020100000000, 0.0005294500000000, 0.0001042500000000 ] - [ -0.0011737500000000, -0.0007754800000000, 0.0005003000000000 ] - [ -0.0007057800000000, -0.0004497300000000, -0.0001930700000000 ] - [ 0.0020478500000000, -0.0017551600000000, 0.0011693900000000 ] - [ -0.0007982700000000, -0.0013126900000000, 0.0011260900000000 ] - [ 0.0010108300000000, 0.0010218900000000, -0.0005093300000000 ] - [ -0.0010420600000000, 0.0016474000000000, -0.0003903800000000 ] - [ -0.0117163500000000, -0.0178417800000000, -0.0227913100000000 ] - [ 0.0015777500000000, 0.0008459100000000, -0.0002791000000000 ] - [ -0.0000781700000000, -0.0006986500000000, -0.0008793600000000 ] - [ -0.0010511000000000, -0.0019490200000000, -0.0011654200000000 ] - [ -0.0008569400000000, -0.0035641100000000, 0.0002474800000000 ] - [ -0.0006422700000000, -0.0013736800000000, 0.0005391000000000 ] - [ 0.0005515200000000, 0.0007690200000000, 0.0001745200000000 ] - [ 0.0005801500000000, 0.0004083700000000, 0.0004313700000000 ] - [ 0.0008277700000000, 0.0019568300000000, -0.0004315800000000 ] - [ 0.0001288000000000, 0.0058132900000000, -0.0002486800000000 ] - [ 0.0000318100000000, -0.0020704300000000, -0.0004911400000000 ] - [ -0.0007464300000000, -0.0006878600000000, -0.0002352300000000 ] - [ -0.0000581700000000, -0.0013139900000000, -0.0001374700000000 ] - [ -0.0002378600000000, -0.0049677800000000, -0.0007138200000000 ] - [ 0.0000941300000000, 0.0007576200000000, -0.0007720900000000 ] - [ 0.0003040900000000, 0.0006018500000000, -0.0002430400000000 ] - [ -0.0002564000000000, 0.0068193200000000, 0.0003650600000000 ] - [ 0.0005169300000000, 0.0007167800000000, 0.0001843500000000 ] - [ -0.0000723500000000, -0.0001287800000000, -0.0004037900000000 ] - [ -0.0003120700000000, 0.0000384700000000, -0.0002698800000000 ] - [ -0.0022517200000000, -0.0014702200000000, -0.0014138500000000 ] - [ -0.0001878600000000, -0.0012790100000000, -0.0014862400000000 ] - [ -0.0004608500000000, 0.0004558400000000, 0.0007863400000000 ] - [ 0.0012416500000000, 0.0004975800000000, 0.0015961200000000 ] - [ 0.0135406000000000, -0.0211366800000000, 0.0178568400000000 ] - [ -0.0004873700000000, 0.0006265200000000, 0.0000212500000000 ] - [ -0.0026048600000000, 0.4224637000000000, 0.0098513600000000 ] - [ -0.0000387500000000, 0.0020730300000000, 0.0003473600000000 ] - [ -0.0005211500000000, 0.0030521400000000, 0.0005249800000000 ] - [ 0.0002709000000000, 0.0030539900000000, 0.0006913900000000 ] - [ 0.0000708800000000, -0.0024368600000000, 0.0000007000000000 ] - [ 0.0001084600000000, -0.0039037800000000, -0.0002389300000000 ] - [ 0.0000699800000000, -0.0016078600000000, 0.0003314100000000 ] - [ 0.0000269200000000, -0.0007315400000000, 0.0001980000000000 ] - [ -0.0002460800000000, 0.0013622200000000, -0.0007363800000000 ] - [ 0.0114144600000000, 0.0079976000000000, -0.0291238700000000 ] - [ -0.0005617100000000, 0.0018336600000000, -0.0011304200000000 ] - [ -0.0010168600000000, 0.0013580100000000, -0.0006471000000000 ] - [ -0.0001005900000000, -0.0042589300000000, -0.0006533700000000 ] - [ 0.0012158700000000, -0.0011285100000000, -0.0006845000000000 ] - [ 0.0000933100000000, -0.0011261200000000, -0.0008173200000000 ] - [ 0.0000367900000000, -0.0009193200000000, -0.0007034200000000 ] - [ -0.0003153300000000, 0.0020148500000000, -0.0000050600000000 ] - [ -0.0131907600000000, 0.0030431200000000, 0.0299746200000000 ] - [ -0.0005049300000000, 0.0002236600000000, 0.0015676700000000 ] - [ 0.0002714800000000, 0.0001865800000000, 0.0016981100000000 ] - [ 0.0012049500000000, -0.0026634500000000, -0.0001893200000000 ] - [ 0.0000007000000000, -0.0000338500000000, 0.0009868400000000 ] - [ 0.0007299500000000, -0.0014202600000000, -0.0004796900000000 ] - [ 0.0002498000000000, -0.0011172400000000, -0.0007669400000000 ] - [ -0.0086108600000000, -0.0390774900000000, -0.0007227200000000 ] - [ 0.0002500600000000, 0.0009914200000000, -0.0002695700000000 ] - [ -0.0018061000000000, 0.0000394800000000, 0.0026481800000000 ] - [ 0.0009429500000000, -0.0000372900000000, 0.0021266500000000 ] - [ -0.0004180900000000, 0.0002419400000000, -0.0000824600000000 ] - [ 0.0004368100000000, -0.0004181300000000, -0.0007883700000000 ] - [ 0.0004505700000000, -0.0004558500000000, -0.0002526400000000 ] - [ 0.0001151000000000, -0.0003886600000000, -0.0002521000000000 ] - [ 0.0007394800000000, 0.0019302900000000, 0.0004131900000000 ] - [ 0.0000368000000000, 0.0009545100000000, 0.0005797700000000 ] - [ -0.0028120800000000, 0.0022565000000000, -0.0019006000000000 ] - [ 0.0002999400000000, 0.0052874200000000, -0.0023988400000000 ] - [ -0.0008935900000000, -0.0061892700000000, 0.0016414200000000 ] - [ 0.0020787100000000, -0.0050121100000000, -0.0002279300000000 ] - [ -0.0032070000000000, -0.1350475400000000, -0.0445114400000000 ] - [ -0.0005546800000000, -0.0020561800000000, -0.0002216800000000 ] - [ -0.0005664800000000, 0.0013421000000000, 0.0019276300000000 ] - [ 0.0009736800000000, 0.0009791900000000, 0.0020465300000000 ] - [ 0.0005520900000000, 0.0103572200000000, 0.0007697200000000 ] - [ -0.0000473300000000, 0.0020928100000000, -0.0006970900000000 ] - [ 0.0000535400000000, -0.0025071000000000, -0.0005320300000000 ] - [ -0.0000832600000000, -0.0019160800000000, -0.0009614900000000 ] - [ -0.0003960800000000, -0.0025055000000000, 0.0011805200000000 ] - [ 0.0008214000000000, -0.0380911900000000, -0.0016128000000000 ] - [ -0.0008170100000000, 0.0014710600000000, 0.0001755700000000 ] - [ 0.0000333800000000, 0.0005530300000000, 0.0003634300000000 ] - [ 0.0022867500000000, 0.0022213000000000, 0.0010892800000000 ] - [ -0.0005965700000000, 0.0040362600000000, 0.0032107800000000 ] - [ 0.0020755400000000, -0.0028291600000000, -0.0024917700000000 ] - [ -0.0022751600000000, -0.0026913100000000, -0.0024985900000000 ] - [ 0.0031005300000000, -0.1576268800000000, 0.0424189700000000 ] - [ 0.0005010900000000, -0.0022151000000000, 0.0004158600000000 ] - [ -0.0013452700000000, 0.0003436300000000, -0.0041351300000000 ] - [ 0.0002238000000000, -0.0001084900000000, -0.0003590400000000 ] - [ -0.0000142600000000, -0.0001203500000000, -0.0000328500000000 ] - [ -0.0002422000000000, -0.0001666100000000, -0.0000753600000000 ] - [ 0.0037058200000000, 0.0035567600000000, -0.0009084100000000 ] - [ -0.0038458100000000, 0.0022440500000000, 0.0007562000000000 ] - [ -0.0006020600000000, 0.0005802600000000, 0.0054683400000000 ] - [ 0.0001738700000000, -0.0001267900000000, 0.0002602200000000 ] - [ 0.0012846100000000, -0.0016139700000000, 0.0060672300000000 ] - [ -0.0009199100000000, -0.0013440900000000, 0.0013362600000000 ] - [ -0.0003308100000000, -0.0001905000000000, -0.0004182000000000 ] - [ 0.0002266600000000, -0.0006005700000000, -0.0003404800000000 ] - [ -0.0047101000000000, 0.0047122400000000, 0.0016651600000000 ] - [ 0.0057441400000000, 0.0038071700000000, -0.0007404400000000 ] - [ 0.0012477400000000, 0.0077643900000000, -0.0048298200000000 ] - [ -0.0000080900000000, 0.0020001100000000, -0.0000466000000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000202300000000, 0.0002402100000000, 0.0005832900000000 ] - [ 0.0000277700000000, 0.0001376800000000, 0.0004730400000000 ] - [ 0.0001040200000000, 0.0001166000000000, 0.0001529900000000 ] - [ 0.0000697100000000, -0.0005567400000000, 0.0004079900000000 ] - [ -0.0017038100000000, 0.0007683800000000, 0.0007604900000000 ] - [ 0.0007282800000000, 0.0003601700000000, -0.0000322400000000 ] - [ 0.0032997300000000, -0.0133655400000000, -0.0059312700000000 ] - [ 0.0000212500000000, 0.0000737300000000, -0.0003936700000000 ] - [ -0.0006721200000000, -0.0000456900000000, 0.0002287300000000 ] - [ -0.0005311800000000, -0.0000443100000000, 0.0000284200000000 ] - [ -0.0002526000000000, -0.0000394700000000, 0.0002277200000000 ] - [ -0.0007501500000000, -0.0005418300000000, -0.0000028300000000 ] - [ -0.0002150000000000, 0.0000099400000000, 0.0009164000000000 ] - [ 0.0015611600000000, 0.0002775200000000, 0.0013629700000000 ] - [ 0.0052874300000000, 0.0138893000000000, -0.0007250300000000 ] - [ 0.0003956700000000, 0.0001131800000000, -0.0005865600000000 ] - [ -0.0006560400000000, 0.0000004800000000, -0.0005278400000000 ] - [ 0.0000293200000000, 0.0002063200000000, -0.0001304500000000 ] - [ -0.0008579700000000, 0.0002624900000000, -0.0001509400000000 ] - [ -0.0001223800000000, 0.0002050000000000, 0.0000916800000000 ] - [ 0.0007336300000000, -0.0001546900000000, 0.0013458300000000 ] - [ 0.0006094400000000, -0.0001473400000000, 0.0009513300000000 ] - [ 0.0008734000000000, -0.0000627800000000, -0.0003589100000000 ] - [ -0.0013752400000000, -0.0003108200000000, 0.0020039600000000 ] - [ -0.0008187500000000, 0.0001806600000000, 0.0003504900000000 ] - [ -0.0000738500000000, 0.0000106400000000, 0.0003258700000000 ] - [ -0.0001182200000000, 0.0000953200000000, -0.0004555800000000 ] - [ -0.0007075700000000, 0.0000087100000000, -0.0011903000000000 ] - [ 0.0001277500000000, -0.0002620000000000, 0.0006155500000000 ] - [ 0.0000698000000000, -0.0000730600000000, 0.0005818500000000 ] - [ 0.0017899000000000, -0.0003716100000000, 0.0027950600000000 ] - [ 0.0002697100000000, 0.0000195000000000, 0.0003025500000000 ] - [ -0.0005275900000000, 0.0001959900000000, 0.0006199300000000 ] - [ -0.0004128600000000, 0.0001468800000000, 0.0002838200000000 ] - [ 0.0004828000000000, 0.0002962500000000, 0.0007500000000000 ] - [ -0.0005036900000000, 0.0003395600000000, 0.0000012600000000 ] - [ -0.0000352900000000, -0.0003631400000000, 0.0003551300000000 ] - [ 0.0006068400000000, -0.0004589800000000, 0.0006461000000000 ] - [ 0.0035408700000000, -0.0118963000000000, -0.0056020400000000 ] - [ 0.0001430100000000, -0.0002643200000000, -0.0007483700000000 ] - [ 0.0074249000000000, -0.0032506200000000, -0.1627911900000000 ] - [ -0.0000953300000000, -0.0001982900000000, -0.0001559900000000 ] - [ -0.0009782100000000, -0.0008450600000000, 0.0006210300000000 ] - [ 0.0008865900000000, -0.0006777300000000, 0.0006205100000000 ] - [ 0.0002865600000000, 0.0001479000000000, -0.0000883700000000 ] - [ 0.0001523200000000, -0.0000919800000000, -0.0001257800000000 ] - [ 0.0000062000000000, 0.0001818600000000, 0.0005253200000000 ] - [ 0.0000851400000000, 0.0000489300000000, 0.0005108700000000 ] - [ -0.0000975800000000, -0.0000725400000000, -0.0002746900000000 ] - [ -0.0087114000000000, 0.0117431500000000, 0.0158842500000000 ] - [ -0.0005101200000000, -0.0004666500000000, 0.0011107600000000 ] - [ 0.0003393100000000, -0.0003832500000000, 0.0009673600000000 ] - [ 0.0003684500000000, -0.0004189300000000, -0.0008315400000000 ] - [ 0.0005457900000000, -0.0001344900000000, -0.0002534000000000 ] - [ 0.0004146800000000, 0.0002416300000000, 0.0004488600000000 ] - [ 0.0006577700000000, 0.0002592200000000, 0.0005566200000000 ] - [ -0.0002584700000000, 0.0007087900000000, -0.0009758600000000 ] - [ -0.0083344400000000, -0.0138076500000000, 0.0115838900000000 ] - [ -0.0006291400000000, -0.0011623200000000, 0.0010695400000000 ] - [ -0.0000887400000000, -0.0009288500000000, 0.0013316300000000 ] - [ 0.0003120500000000, 0.0014442100000000, -0.0002054400000000 ] - [ 0.0007565700000000, 0.0010224800000000, 0.0002792400000000 ] - [ 0.0005346800000000, -0.0008680700000000, -0.0000427100000000 ] - [ 0.0007934000000000, -0.0009715900000000, 0.0000658500000000 ] - [ 0.0036503300000000, 0.0180277700000000, -0.0054741100000000 ] - [ -0.0003050900000000, 0.0002598100000000, -0.0008962400000000 ] - [ -0.0005280200000000, -0.0010314600000000, -0.0004781600000000 ] - [ 0.0002062500000000, -0.0008019200000000, 0.0001660300000000 ] - [ 0.0003766300000000, 0.0003405200000000, 0.0006396600000000 ] - [ 0.0001050600000000, 0.0009010800000000, 0.0008488600000000 ] - [ 0.0000875700000000, -0.0006200400000000, 0.0004264200000000 ] - [ 0.0000158700000000, -0.0006322300000000, 0.0003541200000000 ] - [ -0.0000283500000000, -0.0005014400000000, -0.0004619100000000 ] - [ -0.0002931900000000, -0.0004404600000000, -0.0004319700000000 ] - [ -0.0005451400000000, 0.0002373000000000, -0.0004058700000000 ] - [ -0.0003730400000000, 0.0016377700000000, -0.0002148300000000 ] - [ 0.0021754300000000, -0.0001527400000000, -0.0026676500000000 ] - [ -0.0026916700000000, -0.0010562500000000, -0.0017265100000000 ] - [ -0.0019513100000000, 0.0625481500000000, 0.0822352200000000 ] - [ 0.0000369000000000, 0.0005274300000000, 0.0011880200000000 ] - [ 0.0005593600000000, -0.0005196700000000, 0.0003243500000000 ] - [ -0.0006659200000000, -0.0003781400000000, 0.0000788100000000 ] - [ 0.0009229400000000, 0.0000476800000000, 0.0015023000000000 ] - [ -0.0004643900000000, 0.0001389900000000, -0.0001767500000000 ] - [ 0.0000240600000000, 0.0004844100000000, -0.0031365400000000 ] - [ 0.0000366500000000, 0.0001269900000000, -0.0024587300000000 ] - [ -0.0004200900000000, 0.0004000600000000, 0.0012055100000000 ] - [ -0.0001673500000000, 0.0020827700000000, -0.0103331200000000 ] - [ 0.0002751500000000, -0.0000116500000000, -0.0011738800000000 ] - [ -0.0001122400000000, 0.0001668200000000, -0.0010315700000000 ] - [ -0.0011426500000000, -0.0001312400000000, -0.0003261200000000 ] - [ -0.0001606100000000, -0.0009358300000000, -0.0002133800000000 ] - [ 0.0009390400000000, 0.0023306400000000, -0.0005811800000000 ] - [ -0.0011011600000000, 0.0019178100000000, -0.0009205100000000 ] - [ -0.0008760500000000, -0.0637306300000000, 0.0779139200000000 ] - [ 0.0002352600000000, 0.0002206400000000, 0.0010104800000000 ] - [ -0.0007827400000000, 0.0007025900000000, -0.0008007600000000 ] - [ 0.0004086600000000, 0.0005339200000000, -0.0001109800000000 ] - [ -0.0001315900000000, -0.0001015900000000, -0.0003712500000000 ] - [ -0.0001004600000000, -0.0000964700000000, -0.0007030100000000 ] - [ -0.0007145000000000, -0.0006581800000000, 0.0008329600000000 ] - [ -0.0002487100000000, 0.0001039600000000, 0.0008305000000000 ] - [ 0.0003897500000000, -0.0013071500000000, -0.0015568700000000 ] - [ 0.0000966500000000, -0.0003950600000000, 0.0000747000000000 ] - [ -0.0011790600000000, -0.0011595200000000, -0.0020281200000000 ] - [ 0.0009020300000000, -0.0011952700000000, -0.0005112600000000 ] - [ -0.0000706500000000, 0.0004894600000000, -0.0012172100000000 ] - [ -0.0000821000000000, 0.0007525500000000, -0.0027222900000000 ] - [ 0.0000904700000000, -0.0006742100000000, 0.0013254300000000 ] - [ -0.0011203300000000, -0.0010968400000000, 0.0012888800000000 ] - [ 0.0004982900000000, 0.0014786600000000, 0.0000371000000000 ] - [ -0.0000943800000000, 0.0006541600000000, 0.0006902900000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001008000000000, -0.0003186700000000, -0.0005073700000000 ] - [ 0.0000938300000000, -0.0002167700000000, -0.0003982700000000 ] - [ 0.0000195100000000, -0.0000376100000000, -0.0002274100000000 ] - [ 0.0000466800000000, 0.0006352100000000, -0.0004847400000000 ] - [ 0.0015779100000000, -0.0008396700000000, -0.0008334400000000 ] - [ -0.0008491800000000, -0.0004372100000000, -0.0000439300000000 ] - [ -0.0033435300000000, 0.0133745000000000, 0.0060475300000000 ] - [ -0.0001408400000000, 0.0000043900000000, 0.0004701600000000 ] - [ -0.0004025300000000, -0.0000613800000000, -0.0006032900000000 ] - [ -0.0005418400000000, -0.0000622200000000, -0.0004031900000000 ] - [ -0.0008136500000000, 0.0001422300000000, 0.0001497800000000 ] - [ -0.0003245500000000, 0.0006528600000000, 0.0003774100000000 ] - [ 0.0012877200000000, -0.0001156900000000, -0.0005414600000000 ] - [ -0.0004875800000000, -0.0003814000000000, -0.0009870400000000 ] - [ -0.0043899500000000, -0.0139742300000000, 0.0003234700000000 ] - [ 0.0006815100000000, -0.0000061200000000, 0.0002137900000000 ] - [ -0.0002915700000000, -0.0001262100000000, -0.0003295600000000 ] - [ -0.0009798900000000, -0.0003327700000000, -0.0007274900000000 ] - [ -0.0000929000000000, -0.0001384800000000, 0.0010105600000000 ] - [ -0.0008250700000000, -0.0000800300000000, 0.0007663100000000 ] - [ 0.0002140900000000, 0.0000286000000000, -0.0004880300000000 ] - [ 0.0003401700000000, 0.0000218300000000, -0.0000939500000000 ] - [ 0.0000783400000000, 0.0001903600000000, -0.0004976600000000 ] - [ 0.0023387900000000, 0.0004456000000000, -0.0028770200000000 ] - [ 0.0002017100000000, -0.0003270500000000, 0.0001360400000000 ] - [ -0.0005457000000000, -0.0001561700000000, 0.0001618500000000 ] - [ -0.0004991000000000, 0.0000504800000000, -0.0000321600000000 ] - [ 0.0000881400000000, 0.0001360800000000, 0.0007042600000000 ] - [ 0.0004899900000000, 0.0001163600000000, -0.0011015000000000 ] - [ 0.0005491100000000, -0.0000726800000000, -0.0010703800000000 ] - [ -0.0011891100000000, 0.0005267700000000, -0.0023126500000000 ] - [ 0.0003518100000000, 0.0001271900000000, 0.0001865000000000 ] - [ -0.0000691400000000, 0.0000622400000000, -0.0008801600000000 ] - [ -0.0001829500000000, 0.0001110900000000, -0.0005431900000000 ] - [ -0.0010774600000000, -0.0005545000000000, -0.0004877300000000 ] - [ -0.0000926200000000, -0.0006029100000000, 0.0002590400000000 ] - [ 0.0006313300000000, 0.0006200800000000, -0.0000943900000000 ] - [ -0.0000116800000000, 0.0007160500000000, -0.0003859800000000 ] - [ -0.0030466400000000, 0.0117282400000000, 0.0053653500000000 ] - [ 0.0004555900000000, 0.0000069400000000, 0.0004891300000000 ] - [ -0.0081139900000000, 0.0041012000000000, 0.1631761900000000 ] - [ -0.0000707100000000, 0.0000697900000000, 0.0005845700000000 ] - [ 0.0008079600000000, 0.0009741900000000, -0.0010470800000000 ] - [ -0.0010499000000000, 0.0008063100000000, -0.0010475600000000 ] - [ -0.0001185700000000, -0.0002797100000000, -0.0003380000000000 ] - [ 0.0000123100000000, -0.0000399200000000, -0.0003007600000000 ] - [ 0.0001602300000000, -0.0000526700000000, -0.0000962600000000 ] - [ 0.0000815500000000, 0.0000803100000000, -0.0000835800000000 ] - [ -0.0006486400000000, -0.0000440100000000, 0.0003686900000000 ] - [ 0.0082878200000000, -0.0121583800000000, -0.0161496500000000 ] - [ -0.0002399600000000, 0.0005846600000000, -0.0012038500000000 ] - [ -0.0010881300000000, 0.0005013700000000, -0.0010617600000000 ] - [ 0.0003750100000000, 0.0002984000000000, 0.0007400600000000 ] - [ 0.0002060500000000, 0.0000160300000000, 0.0001581200000000 ] - [ 0.0003345600000000, -0.0001245800000000, -0.0003544500000000 ] - [ 0.0000902900000000, -0.0001419400000000, -0.0004626600000000 ] - [ -0.0007217800000000, 0.0010427900000000, -0.0000616100000000 ] - [ 0.0076134000000000, 0.0158791700000000, -0.0128278000000000 ] - [ -0.0003540300000000, -0.0005889700000000, -0.0000306200000000 ] - [ -0.0008947200000000, -0.0008214900000000, -0.0002932300000000 ] - [ 0.0006672800000000, 0.0003049700000000, 0.0012491300000000 ] - [ 0.0002268600000000, 0.0007275500000000, 0.0007603900000000 ] - [ 0.0004484400000000, -0.0008818100000000, -0.0009966800000000 ] - [ 0.0001884800000000, -0.0007784300000000, -0.0011058800000000 ] - [ -0.0039809700000000, -0.0171700100000000, 0.0048670800000000 ] - [ -0.0001094200000000, 0.0004933900000000, 0.0002641300000000 ] - [ 0.0001111000000000, 0.0002771000000000, 0.0011110500000000 ] - [ -0.0006225000000000, 0.0000489200000000, 0.0004668100000000 ] - [ 0.0000410900000000, 0.0004109500000000, -0.0000061600000000 ] - [ 0.0003089800000000, -0.0001515400000000, -0.0002179600000000 ] - [ 0.0003281100000000, -0.0001325000000000, -0.0010576300000000 ] - [ 0.0004013500000000, -0.0001183700000000, -0.0009883700000000 ] - [ -0.0002891900000000, -0.0001200000000000, 0.0011118900000000 ] - [ -0.0000260100000000, -0.0001816300000000, 0.0010837800000000 ] - [ 0.0002187600000000, 0.0003868100000000, -0.0002475800000000 ] - [ 0.0000638300000000, -0.0010185600000000, -0.0004347000000000 ] - [ -0.0018535000000000, -0.0004738800000000, 0.0020174100000000 ] - [ 0.0030077200000000, 0.0004313600000000, 0.0010774700000000 ] - [ 0.0022991500000000, -0.0641552000000000, -0.0816439500000000 ] - [ 0.0002769100000000, 0.0000950400000000, -0.0005391800000000 ] - [ -0.0005677600000000, 0.0000878400000000, 0.0012891600000000 ] - [ 0.0006617700000000, -0.0000537000000000, 0.0015348100000000 ] - [ -0.0009272700000000, 0.0003883300000000, -0.0031158000000000 ] - [ 0.0004548300000000, 0.0002947800000000, -0.0014334700000000 ] - [ -0.0000155600000000, -0.0009156000000000, 0.0015246600000000 ] - [ -0.0000316900000000, -0.0005589800000000, 0.0008499500000000 ] - [ 0.0004205100000000, 0.0000304000000000, 0.0004045300000000 ] - [ 0.0002004300000000, -0.0017019300000000, 0.0119569400000000 ] - [ -0.0006099400000000, -0.0001404300000000, 0.0012354800000000 ] - [ -0.0002244200000000, -0.0003206400000000, 0.0010967000000000 ] - [ 0.0008040700000000, 0.0002867800000000, 0.0002628900000000 ] - [ -0.0001678500000000, 0.0010994700000000, 0.0001509100000000 ] - [ -0.0006019100000000, -0.0024800800000000, 0.0005186000000000 ] - [ 0.0014384000000000, -0.0020699800000000, 0.0008597300000000 ] - [ 0.0012113800000000, 0.0651945500000000, -0.0772898000000000 ] - [ 0.0000957800000000, -0.0000680500000000, -0.0009468600000000 ] - [ 0.0004817600000000, -0.0003342700000000, 0.0008530100000000 ] - [ -0.0007132200000000, -0.0001661500000000, 0.0001687200000000 ] - [ -0.0001709700000000, -0.0002677500000000, 0.0003148600000000 ] - [ -0.0002002300000000, -0.0002728600000000, 0.0006479900000000 ] - [ 0.0010245800000000, 0.0010327600000000, -0.0008951500000000 ] - [ 0.0005494900000000, 0.0002664200000000, -0.0008899000000000 ] - [ -0.0000896900000000, 0.0009332800000000, 0.0016172700000000 ] - [ 0.0002050400000000, 0.0000259700000000, -0.0000171800000000 ] - [ 0.0009744400000000, -0.0000199600000000, 0.0027280400000000 ] - [ -0.0011193600000000, 0.0000178700000000, 0.0012185500000000 ] - [ -0.0001403700000000, 0.0006907700000000, 0.0005146800000000 ] - [ -0.0001251700000000, 0.0004255100000000, 0.0020245600000000 ] - [ 0.0001114600000000, -0.0005018900000000, -0.0020200700000000 ] - [ 0.0013342500000000, -0.0000837900000000, -0.0019955700000000 ] - [ -0.0002899000000000, -0.0002981500000000, 0.0006692800000000 ] - [ 0.0003023900000000, 0.0005273700000000, 0.0000134400000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001634000000000, -0.0004389400000000, -0.0005688200000000 ] - [ -0.0000073400000000, 0.0003436100000000, 0.0003325500000000 ] - [ -0.0007402000000000, 0.0002338900000000, -0.0000791000000000 ] - [ 0.0006387100000000, 0.0004330500000000, 0.0000696700000000 ] - [ -0.0001681800000000, 0.0000103800000000, 0.0001137200000000 ] - [ 0.0001828700000000, -0.0003957700000000, -0.0003346000000000 ] - [ 0.0017738300000000, -0.0006591000000000, 0.0007039500000000 ] - [ -0.0051707400000000, 0.0012783000000000, -0.0025358400000000 ] - [ -0.0001206500000000, 0.0000384200000000, -0.0004916100000000 ] - [ -0.0007638100000000, -0.0000127900000000, -0.0004216200000000 ] - [ -0.0012699300000000, 0.0006434300000000, 0.0003327100000000 ] - [ -0.0001330700000000, 0.0001563100000000, 0.0004358300000000 ] - [ 0.0001523400000000, -0.0000348700000000, -0.0000305700000000 ] - [ 0.0010894400000000, -0.0003527200000000, -0.0001785100000000 ] - [ 0.0036081100000000, -0.0001858500000000, 0.0010889800000000 ] - [ 0.0296993600000000, 0.0118993000000000, -0.0149504300000000 ] - [ -0.0009143400000000, 0.0001182900000000, -0.0006298400000000 ] - [ -0.0002260300000000, 0.0000296100000000, -0.0004973100000000 ] - [ 0.0002575300000000, -0.0000559900000000, 0.0004551800000000 ] - [ -0.0015603000000000, 0.0010482200000000, 0.0008527300000000 ] - [ 0.0009687200000000, -0.0000809800000000, 0.0000194200000000 ] - [ -0.0000763700000000, -0.0002445500000000, 0.0004167200000000 ] - [ 0.0077665600000000, 0.0209186800000000, -0.0238685900000000 ] - [ 0.0018443700000000, -0.0003850300000000, -0.0002813400000000 ] - [ -0.0002817400000000, 0.0000376900000000, 0.0001404300000000 ] - [ -0.0001304800000000, 0.0001317600000000, 0.0000536000000000 ] - [ -0.0012511800000000, 0.0002785300000000, 0.0000570100000000 ] - [ 0.0005634400000000, 0.0004133800000000, -0.0000108100000000 ] - [ 0.0006726800000000, -0.0003371600000000, -0.0014807500000000 ] - [ 0.0005169500000000, -0.0003185400000000, -0.0001902100000000 ] - [ 0.0021022500000000, 0.0000371500000000, 0.0006717900000000 ] - [ -0.0062329500000000, -0.0095408900000000, 0.0132598100000000 ] - [ 0.0002086300000000, 0.0001691800000000, -0.0005426100000000 ] - [ -0.0007377100000000, 0.0003826000000000, -0.0003184400000000 ] - [ -0.0014866800000000, -0.0031450200000000, -0.0011478900000000 ] - [ 0.0016433300000000, 0.0008482000000000, 0.0020312000000000 ] - [ -0.0004276200000000, -0.0000304300000000, -0.0002125300000000 ] - [ 0.0011728600000000, 0.0001542300000000, -0.0004403100000000 ] - [ 0.0014937500000000, 0.0001105800000000, 0.0007698800000000 ] - [ -0.0007812200000000, -0.0017729300000000, 0.0012548400000000 ] - [ 0.0006833700000000, -0.0001882000000000, 0.0004869100000000 ] - [ 0.0010712300000000, -0.0117384600000000, -0.0082061200000000 ] - [ -0.0003727600000000, -0.0001194000000000, -0.0000739300000000 ] - [ 0.0002864100000000, -0.0005728500000000, -0.0009218100000000 ] - [ -0.0007604000000000, -0.0005474100000000, -0.0002171200000000 ] - [ 0.0006216300000000, 0.0007709700000000, -0.0000416500000000 ] - [ 0.0002338700000000, 0.0004024700000000, -0.0000713000000000 ] - [ -0.0000414700000000, 0.0003418600000000, 0.0001723200000000 ] - [ -0.1660016100000000, -0.0218254700000000, 0.0922999500000000 ] - [ 0.0013921900000000, -0.0002513400000000, 0.0000505400000000 ] - [ -0.0004201700000000, 0.0002576100000000, -0.0004535300000000 ] - [ -0.0004178800000000, -0.0001417100000000, -0.0003589500000000 ] - [ 0.0007885200000000, 0.0002494400000000, 0.0000814500000000 ] - [ -0.0005271500000000, 0.0006605900000000, 0.0009785600000000 ] - [ 0.0002765300000000, -0.0000092800000000, -0.0003009400000000 ] - [ 0.0003560200000000, 0.0002195000000000, -0.0000314300000000 ] - [ -0.0126177500000000, 0.0096218800000000, 0.0056863600000000 ] - [ 0.0002950100000000, 0.0006530300000000, -0.0006343000000000 ] - [ -0.0005747700000000, -0.0011904300000000, 0.0000113700000000 ] - [ -0.0006861900000000, -0.0013183200000000, -0.0003855400000000 ] - [ 0.0013664900000000, 0.0009971100000000, 0.0003899900000000 ] - [ -0.0011816400000000, 0.0012070700000000, 0.0017418400000000 ] - [ 0.0002939000000000, -0.0005123700000000, -0.0011829400000000 ] - [ 0.0004053900000000, -0.0007527700000000, -0.0007359700000000 ] - [ 0.0005369200000000, 0.0006744700000000, 0.0001302800000000 ] - [ -0.0014218900000000, -0.0011462400000000, 0.0009980100000000 ] - [ -0.0004652000000000, -0.0004720700000000, 0.0005527300000000 ] - [ 0.0003622400000000, -0.0005268200000000, -0.0020307800000000 ] - [ -0.0014086100000000, 0.0000943700000000, -0.0000441700000000 ] - [ 0.0016262900000000, -0.0001809800000000, 0.0007636600000000 ] - [ 0.0006120600000000, 0.0004048200000000, -0.0015313800000000 ] - [ 0.0002000900000000, -0.0004085500000000, -0.0002990700000000 ] - [ -0.0006391200000000, -0.0002055000000000, 0.0011595900000000 ] - [ 0.0002229100000000, -0.0007907000000000, 0.0004022200000000 ] - [ 0.0014247400000000, -0.0003286000000000, -0.0007102400000000 ] - [ -0.0010163400000000, -0.0006019900000000, -0.0005266900000000 ] - [ 0.0009014100000000, -0.0003290300000000, -0.0002496000000000 ] - [ -0.0005746600000000, 0.0006761100000000, 0.0007396900000000 ] - [ -0.0040359900000000, 0.0006962600000000, -0.0011808000000000 ] - [ 0.0996091100000000, 0.0122063300000000, -0.0538855100000000 ] - [ 0.0003843500000000, -0.0004087000000000, 0.0014120600000000 ] - [ -0.0003720900000000, -0.0004778300000000, 0.0011309200000000 ] - [ -0.0014480400000000, -0.0001928200000000, -0.0011898800000000 ] - [ 0.0019000300000000, -0.0009473700000000, -0.0021913300000000 ] - [ -0.0009665200000000, -0.0001018600000000, 0.0004489800000000 ] - [ 0.0003171100000000, 0.0001934500000000, -0.0001423000000000 ] - [ 0.0498366500000000, -0.0148348100000000, 0.0019032800000000 ] - [ -0.0027349900000000, 0.0008692100000000, 0.0000542500000000 ] - [ -0.0008100000000000, -0.0009932300000000, 0.0012136500000000 ] - [ 0.0003345700000000, -0.0001944500000000, 0.0000618400000000 ] - [ 0.0046724100000000, 0.0021465600000000, 0.0000415600000000 ] - [ -0.0031925100000000, -0.0003772600000000, -0.0010140300000000 ] - [ 0.0014771800000000, 0.0002349600000000, 0.0000379700000000 ] - [ -0.0012415500000000, 0.0009223900000000, 0.0020522100000000 ] - [ -0.0020267200000000, 0.0001214800000000, -0.0005894700000000 ] - [ 0.0068839500000000, 0.0103738900000000, -0.0107708600000000 ] - [ -0.0018880100000000, -0.0016409300000000, 0.0000243300000000 ] - [ -0.0001429100000000, 0.0006430100000000, -0.0001458700000000 ] - [ 0.0002370000000000, -0.0000917000000000, 0.0004039100000000 ] - [ -0.0005319600000000, -0.0002064600000000, 0.0001041900000000 ] - [ 0.0007052100000000, 0.0012145400000000, -0.0011438400000000 ] - [ -0.0029365000000000, -0.0032561700000000, 0.0008392000000000 ] - [ -0.0001090100000000, -0.0001573100000000, 0.0000245600000000 ] - [ 0.0004026700000000, -0.0000713500000000, 0.0003108900000000 ] - [ -0.0042959700000000, 0.0023462000000000, 0.0029645900000000 ] - [ -0.0005380500000000, -0.0013106800000000, -0.0043208400000000 ] - [ 0.0023572100000000, -0.0000086500000000, 0.0015880100000000 ] - [ -0.0009452800000000, 0.0007444500000000, -0.0000571200000000 ] - [ 0.0004872300000000, -0.0011139600000000, -0.0010814100000000 ] - [ -0.0003834000000000, -0.0007592700000000, -0.0003903000000000 ] - [ -0.0007044900000000, 0.0004099200000000, 0.0004568200000000 ] - [ 0.0008310900000000, -0.0007739000000000, 0.0015440700000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000497600000000, 0.0003665100000000, 0.0006473000000000 ] - [ 0.0001229300000000, -0.0004173800000000, -0.0002548200000000 ] - [ 0.0008491400000000, -0.0001805800000000, 0.0000008400000000 ] - [ -0.0005251400000000, -0.0003639600000000, -0.0001483500000000 ] - [ 0.0000527800000000, -0.0000801500000000, -0.0001899500000000 ] - [ -0.0002950500000000, 0.0003280000000000, 0.0002578600000000 ] - [ -0.0018932600000000, 0.0007333400000000, -0.0006245600000000 ] - [ 0.0051024000000000, -0.0013256400000000, 0.0028149600000000 ] - [ -0.0009461100000000, -0.0001433600000000, 0.0001138400000000 ] - [ -0.0003013600000000, -0.0000922000000000, 0.0000465200000000 ] - [ 0.0002030600000000, -0.0005499000000000, 0.0000472500000000 ] - [ -0.0009269100000000, -0.0000569600000000, -0.0000564300000000 ] - [ 0.0009083100000000, -0.0000642600000000, 0.0004165000000000 ] - [ -0.0000271000000000, 0.0002525000000000, 0.0005608600000000 ] - [ -0.0025301300000000, 0.0002892800000000, -0.0014708600000000 ] - [ -0.0296662200000000, -0.0121710400000000, 0.0148897900000000 ] - [ -0.0000322900000000, -0.0002497400000000, -0.0002243600000000 ] - [ -0.0007211900000000, -0.0001587300000000, -0.0003564000000000 ] - [ -0.0012089600000000, 0.0001802700000000, 0.0004007900000000 ] - [ 0.0006175300000000, -0.0009342100000000, -0.0000007000000000 ] - [ -0.0000220400000000, -0.0000447000000000, 0.0008378400000000 ] - [ 0.0010324500000000, 0.0001232400000000, 0.0004491300000000 ] - [ -0.0066512800000000, -0.0205573500000000, 0.0227021000000000 ] - [ -0.0008901600000000, 0.0005196500000000, -0.0005821100000000 ] - [ -0.0003360400000000, -0.0001866700000000, 0.0003485700000000 ] - [ -0.0004883800000000, -0.0002837700000000, 0.0004371500000000 ] - [ 0.0006367900000000, -0.0001412900000000, -0.0005505000000000 ] - [ -0.0011801800000000, -0.0002680300000000, -0.0004783200000000 ] - [ -0.0000614900000000, 0.0001940500000000, 0.0009982000000000 ] - [ 0.0001013100000000, 0.0001744600000000, -0.0002950000000000 ] - [ -0.0014891700000000, 0.0001141300000000, -0.0001879400000000 ] - [ 0.0069317200000000, 0.0096509500000000, -0.0127887500000000 ] - [ -0.0008000800000000, 0.0000863400000000, 0.0002746300000000 ] - [ 0.0001490600000000, -0.0001296300000000, 0.0000538200000000 ] - [ 0.0008956100000000, 0.0028697600000000, 0.0014051700000000 ] - [ -0.0022420400000000, -0.0011109600000000, -0.0017760800000000 ] - [ 0.0010203600000000, 0.0002876600000000, 0.0004905000000000 ] - [ -0.0005877800000000, 0.0001027500000000, 0.0007173200000000 ] - [ -0.0009101500000000, -0.0003626600000000, -0.0010469800000000 ] - [ 0.0013861800000000, 0.0015229200000000, -0.0015562700000000 ] - [ -0.0008500600000000, 0.0000704400000000, -0.0000648700000000 ] - [ -0.0012029300000000, 0.0118118500000000, 0.0087887900000000 ] - [ 0.0002083000000000, 0.0002553600000000, -0.0003429600000000 ] - [ -0.0004533800000000, 0.0007102200000000, 0.0005062700000000 ] - [ 0.0009263900000000, 0.0004033800000000, -0.0002099100000000 ] - [ -0.0004577800000000, -0.0009105800000000, -0.0003809100000000 ] - [ -0.0000687700000000, -0.0002773600000000, 0.0004956000000000 ] - [ 0.0002075900000000, -0.0002213500000000, 0.0002518200000000 ] - [ 0.1685180600000000, 0.0241380100000000, -0.0974424000000000 ] - [ -0.0021454000000000, 0.0001455000000000, 0.0000309400000000 ] - [ -0.0003330100000000, -0.0001395900000000, 0.0003664900000000 ] - [ -0.0003311900000000, 0.0002597900000000, 0.0002745600000000 ] - [ -0.0000355800000000, -0.0003715700000000, -0.0001763900000000 ] - [ 0.0012851200000000, -0.0007952000000000, -0.0010839900000000 ] - [ 0.0004759100000000, 0.0001246500000000, 0.0003934800000000 ] - [ 0.0003963600000000, -0.0001048300000000, 0.0001248800000000 ] - [ 0.0116548000000000, -0.0080892300000000, -0.0067888700000000 ] - [ -0.0012829200000000, 0.0010986000000000, -0.0004110300000000 ] - [ -0.0004094500000000, -0.0005535100000000, 0.0010400100000000 ] - [ -0.0002966400000000, -0.0004215800000000, 0.0014425600000000 ] - [ -0.0003822900000000, 0.0007467600000000, 0.0006543800000000 ] - [ 0.0021752700000000, 0.0005308800000000, -0.0007096000000000 ] - [ 0.0006933000000000, -0.0012378900000000, 0.0001422500000000 ] - [ 0.0005840700000000, -0.0010003300000000, -0.0003002700000000 ] - [ -0.0009538600000000, 0.0000876500000000, -0.0007536600000000 ] - [ 0.0010192500000000, 0.0019146100000000, -0.0016515600000000 ] - [ 0.0000530700000000, -0.0002878300000000, 0.0000777100000000 ] - [ -0.0007820600000000, -0.0002333800000000, 0.0026725700000000 ] - [ 0.0018204600000000, 0.0006793000000000, 0.0006661600000000 ] - [ -0.0012174200000000, 0.0009434100000000, -0.0001449500000000 ] - [ -0.0002019400000000, -0.0011691700000000, 0.0009139500000000 ] - [ 0.0002180500000000, -0.0003579700000000, -0.0003118300000000 ] - [ 0.0003207400000000, -0.0004179300000000, -0.0005152700000000 ] - [ -0.0005440700000000, 0.0001711500000000, 0.0002413800000000 ] - [ -0.0017483000000000, 0.0009915900000000, 0.0000682700000000 ] - [ 0.0006910300000000, 0.0012400600000000, -0.0001222500000000 ] - [ -0.0005782100000000, -0.0003095700000000, -0.0004070600000000 ] - [ 0.0008945500000000, -0.0013160500000000, -0.0013971700000000 ] - [ 0.0043597300000000, -0.0000796800000000, 0.0018283500000000 ] - [ -0.1021416900000000, -0.0128493000000000, 0.0587328500000000 ] - [ -0.0003918400000000, -0.0000182200000000, 0.0001993400000000 ] - [ 0.0003663200000000, 0.0000531400000000, 0.0004781500000000 ] - [ 0.0014452400000000, 0.0006329300000000, -0.0004225300000000 ] - [ -0.0019148100000000, 0.0014099700000000, 0.0005947700000000 ] - [ 0.0009784400000000, -0.0003327500000000, -0.0020732500000000 ] - [ -0.0003216100000000, -0.0006307200000000, -0.0014889500000000 ] - [ -0.0495000000000000, 0.0144309100000000, 0.0003177700000000 ] - [ 0.0027426600000000, -0.0004536600000000, 0.0015794500000000 ] - [ 0.0004776100000000, 0.0008518400000000, -0.0011587400000000 ] - [ -0.0006726500000000, 0.0000595600000000, -0.0000105800000000 ] - [ -0.0050077600000000, -0.0019986400000000, -0.0000737600000000 ] - [ 0.0028694400000000, 0.0005339300000000, 0.0009598100000000 ] - [ -0.0011488600000000, -0.0003885500000000, -0.0001125500000000 ] - [ 0.0015846500000000, -0.0010812900000000, -0.0021344400000000 ] - [ 0.0023701100000000, 0.0000156000000000, 0.0006572300000000 ] - [ -0.0066566500000000, -0.0103049300000000, 0.0110046700000000 ] - [ 0.0015908300000000, 0.0020070200000000, 0.0000284400000000 ] - [ -0.0001749100000000, -0.0002600200000000, 0.0002038600000000 ] - [ -0.0005375500000000, -0.0002784600000000, -0.0004639900000000 ] - [ 0.0002317700000000, -0.0001623900000000, -0.0001608000000000 ] - [ -0.0004169200000000, -0.0008343400000000, 0.0010906500000000 ] - [ 0.0032818700000000, 0.0036822600000000, -0.0009142800000000 ] - [ 0.0004105500000000, -0.0002108700000000, 0.0000306300000000 ] - [ -0.0001032400000000, -0.0002970800000000, -0.0002539500000000 ] - [ 0.0040895500000000, -0.0035346000000000, -0.0022538000000000 ] - [ 0.0003033000000000, 0.0000992200000000, 0.0050629000000000 ] - [ -0.0025529400000000, 0.0011955700000000, -0.0023243200000000 ] - [ 0.0007336100000000, 0.0004325000000000, -0.0006468700000000 ] - [ -0.0002705100000000, -0.0000560600000000, 0.0003896600000000 ] - [ 0.0005888000000000, -0.0004130900000000, -0.0003070100000000 ] - [ 0.0009152900000000, 0.0007754000000000, 0.0002414500000000 ] - [ -0.0006222400000000, 0.0019738800000000, -0.0008598600000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002466800000000, 0.0000901200000000, 0.0001539100000000 ] - [ 0.0002626900000000, 0.0001569400000000, 0.0000910800000000 ] - [ 0.0002865800000000, 0.0026652700000000, -0.0000756700000000 ] - [ 0.0002425000000000, 0.0004788500000000, 0.0000702400000000 ] - [ 0.0001929200000000, -0.0004085000000000, 0.0001897900000000 ] - [ -0.0005896000000000, -0.0004877800000000, 0.0003074500000000 ] - [ 0.0002348300000000, -0.0004049800000000, 0.0000972100000000 ] - [ 0.0105869200000000, 0.0109423500000000, -0.0277586000000000 ] - [ -0.0004622300000000, 0.0001943100000000, -0.0003305100000000 ] - [ 0.0000017700000000, 0.0003412400000000, -0.0008225900000000 ] - [ -0.0007164500000000, 0.0022093800000000, -0.0001521400000000 ] - [ -0.0010346600000000, 0.0006603400000000, 0.0002613800000000 ] - [ 0.0012009100000000, -0.0007003200000000, -0.0004677500000000 ] - [ 0.0005444700000000, -0.0004123200000000, 0.0001081300000000 ] - [ -0.0005171800000000, -0.0009721500000000, 0.0001719600000000 ] - [ 0.0199202600000000, -0.0046039700000000, -0.0052693300000000 ] - [ -0.0008034400000000, 0.0008447900000000, -0.0005918700000000 ] - [ -0.0004790000000000, 0.0002618000000000, -0.0004996200000000 ] - [ -0.0007489100000000, 0.0008763000000000, 0.0005510400000000 ] - [ -0.0000881800000000, 0.0017523300000000, 0.0005913700000000 ] - [ 0.0006349400000000, -0.0003776300000000, 0.0001575700000000 ] - [ -0.0001778700000000, -0.0010255900000000, -0.0003795600000000 ] - [ 0.0060195000000000, 0.0047913900000000, -0.0125302500000000 ] - [ 0.0003180700000000, -0.0007577600000000, -0.0000256700000000 ] - [ -0.0002604300000000, 0.0003335400000000, 0.0002178900000000 ] - [ 0.0000418700000000, 0.0008792500000000, 0.0000532300000000 ] - [ -0.0003437300000000, 0.0024305100000000, 0.0000177400000000 ] - [ -0.0003168500000000, 0.0006051500000000, -0.0000995100000000 ] - [ 0.0008817900000000, -0.0010208000000000, -0.0012272200000000 ] - [ 0.0001824000000000, -0.0005109200000000, -0.0003481300000000 ] - [ 0.0009060800000000, -0.0004474400000000, 0.0006343100000000 ] - [ -0.0052108800000000, 0.0033459200000000, -0.0138298700000000 ] - [ -0.0000041200000000, 0.0003467800000000, -0.0004997200000000 ] - [ -0.0007641800000000, 0.0007534500000000, -0.0005597500000000 ] - [ -0.0011181900000000, 0.0028622000000000, 0.0031286300000000 ] - [ 0.0004632400000000, 0.0002545200000000, 0.0011921500000000 ] - [ -0.0003839400000000, -0.0003025900000000, -0.0011044800000000 ] - [ 0.0007256100000000, -0.0001332200000000, -0.0004416000000000 ] - [ 0.0014100300000000, -0.0003277100000000, 0.0006670500000000 ] - [ -0.0040179700000000, 0.0003428500000000, 0.0018973000000000 ] - [ 0.0000040700000000, -0.0014910300000000, 0.0001999800000000 ] - [ -0.0090357400000000, -0.0082086100000000, 0.0121769700000000 ] - [ -0.0002420300000000, -0.0017158300000000, -0.0007420400000000 ] - [ -0.0000043100000000, -0.0012408000000000, -0.0006592100000000 ] - [ 0.0001495400000000, 0.0041387800000000, 0.0001449600000000 ] - [ 0.0001629200000000, 0.0010113700000000, -0.0001367800000000 ] - [ 0.0001339800000000, 0.0010472900000000, 0.0000110400000000 ] - [ 0.0000849700000000, 0.0012530400000000, 0.0000289400000000 ] - [ -0.0237059400000000, -0.2422176000000000, 0.1276558100000000 ] - [ -0.0005713800000000, -0.0011255900000000, 0.0009647400000000 ] - [ -0.0001752300000000, -0.0003938100000000, -0.0002883200000000 ] - [ -0.0005754400000000, -0.0003942900000000, -0.0001960000000000 ] - [ 0.0000651600000000, 0.0007360700000000, 0.0006268100000000 ] - [ -0.0003565800000000, 0.0033777500000000, 0.0015623300000000 ] - [ 0.0003088000000000, 0.0005109800000000, 0.0000200200000000 ] - [ 0.0005372700000000, 0.0005163100000000, 0.0000715200000000 ] - [ -0.0111354800000000, 0.0432332000000000, 0.0068739000000000 ] - [ -0.0002786400000000, 0.0004085900000000, -0.0004071300000000 ] - [ -0.0010135400000000, -0.0018467500000000, -0.0008042000000000 ] - [ -0.0007813100000000, -0.0017378200000000, -0.0006362900000000 ] - [ 0.0005063300000000, 0.0011961000000000, 0.0006729400000000 ] - [ 0.0006216400000000, 0.0045411100000000, 0.0006759900000000 ] - [ 0.0003541900000000, -0.0002160700000000, -0.0012441000000000 ] - [ 0.0001665300000000, -0.0002429200000000, -0.0012395900000000 ] - [ 0.0001476200000000, 0.0003701800000000, 0.0000170800000000 ] - [ -0.0012061300000000, 0.0019324800000000, 0.0044250100000000 ] - [ -0.0008666500000000, -0.0007761900000000, -0.0010391700000000 ] - [ 0.0008956900000000, -0.0008356000000000, -0.0012562800000000 ] - [ 0.0005054800000000, 0.0013290900000000, 0.0029964800000000 ] - [ 0.0007186500000000, 0.0001682600000000, 0.0006620400000000 ] - [ 0.0008989600000000, 0.0005183500000000, -0.0013253800000000 ] - [ -0.0000754000000000, 0.0002244600000000, -0.0011585800000000 ] - [ -0.0001014000000000, -0.0012704400000000, 0.0005857200000000 ] - [ -0.0008517000000000, -0.0014840200000000, 0.0008219700000000 ] - [ 0.0008584600000000, -0.0063581800000000, 0.0000660700000000 ] - [ 0.0003850400000000, -0.0010544700000000, -0.0004204000000000 ] - [ -0.0005668000000000, 0.0017281000000000, 0.0004047800000000 ] - [ 0.0004581400000000, 0.0013873700000000, -0.0001085200000000 ] - [ 0.0007102200000000, 0.0019564400000000, 0.0004935500000000 ] - [ 0.0029678900000000, 0.0513384400000000, -0.0029379600000000 ] - [ 0.0002298300000000, -0.0011748000000000, 0.0012794900000000 ] - [ -0.0002195400000000, -0.0011133400000000, 0.0012843100000000 ] - [ 0.0003025000000000, -0.0008765600000000, -0.0016027000000000 ] - [ -0.0004663600000000, -0.0062168700000000, -0.0013384200000000 ] - [ -0.0007360200000000, 0.0008485600000000, 0.0005423800000000 ] - [ 0.0009122400000000, 0.0009047500000000, 0.0003744800000000 ] - [ 0.0006956100000000, 0.1413275200000000, -0.0732053100000000 ] - [ -0.0004235000000000, 0.0017577900000000, -0.0006713800000000 ] - [ -0.0007051700000000, -0.0016277900000000, 0.0011033400000000 ] - [ 0.0003760000000000, -0.0017303800000000, 0.0007344100000000 ] - [ -0.0009889300000000, -0.0054541100000000, -0.0048751900000000 ] - [ -0.0011959800000000, -0.0006360100000000, -0.0010478500000000 ] - [ 0.0018219700000000, 0.0020419100000000, 0.0019880100000000 ] - [ -0.0007401500000000, 0.0017882700000000, 0.0018501500000000 ] - [ -0.0011850300000000, 0.0013744400000000, -0.0009409300000000 ] - [ 0.0167069400000000, 0.0013518000000000, -0.0185945600000000 ] - [ -0.0017049800000000, -0.0010059100000000, 0.0001400500000000 ] - [ 0.0015811400000000, -0.0010996800000000, 0.0004786300000000 ] - [ -0.0000455400000000, 0.0002075400000000, -0.0001647500000000 ] - [ -0.0002269500000000, -0.0000969500000000, 0.0000742100000000 ] - [ 0.0028036300000000, -0.0012055800000000, -0.0001450500000000 ] - [ -0.0017610900000000, -0.0016526000000000, 0.0003175700000000 ] - [ 0.0000831400000000, -0.0002564000000000, 0.0000452700000000 ] - [ 0.0003138600000000, -0.0005220500000000, -0.0006970900000000 ] - [ -0.0005748600000000, 0.0027943200000000, -0.0004520000000000 ] - [ -0.0005972700000000, 0.0025674100000000, -0.0033455600000000 ] - [ -0.0002841300000000, -0.0002905700000000, 0.0038337000000000 ] - [ -0.0001103200000000, 0.0009108500000000, -0.0000038200000000 ] - [ -0.0011643800000000, -0.0033113800000000, -0.0015722400000000 ] - [ 0.0007647800000000, -0.0022423300000000, -0.0008261100000000 ] - [ 0.0002401600000000, -0.0000408000000000, 0.0008121300000000 ] - [ -0.0005722900000000, -0.0031606800000000, 0.0035205900000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003638400000000, -0.0001643500000000, -0.0000798300000000 ] - [ -0.0001478400000000, -0.0002281800000000, -0.0000132800000000 ] - [ -0.0001752100000000, -0.0025839200000000, -0.0000087600000000 ] - [ -0.0001235700000000, -0.0004010600000000, -0.0001471300000000 ] - [ -0.0003085600000000, 0.0003309000000000, -0.0002648200000000 ] - [ 0.0004755800000000, 0.0004089700000000, -0.0003870800000000 ] - [ -0.0003414300000000, 0.0004746300000000, -0.0000177700000000 ] - [ -0.0107579400000000, -0.0109166300000000, 0.0281803900000000 ] - [ -0.0006016500000000, -0.0002964300000000, -0.0000509800000000 ] - [ -0.0010688300000000, -0.0004436400000000, 0.0004391800000000 ] - [ -0.0003465100000000, -0.0020894500000000, 0.0005275600000000 ] - [ -0.0000325700000000, -0.0005524000000000, 0.0001191900000000 ] - [ -0.0001330600000000, 0.0005922500000000, 0.0008391300000000 ] - [ 0.0005253700000000, 0.0003053800000000, 0.0002660200000000 ] - [ 0.0015873200000000, 0.0010755900000000, -0.0005436200000000 ] - [ -0.0187862000000000, 0.0048824500000000, 0.0048301300000000 ] - [ -0.0001460900000000, -0.0009664000000000, -0.0002642000000000 ] - [ -0.0004668800000000, -0.0003859400000000, -0.0003565000000000 ] - [ -0.0001954400000000, -0.0007443400000000, 0.0003064200000000 ] - [ -0.0008698400000000, -0.0016123200000000, 0.0002739800000000 ] - [ 0.0003150300000000, 0.0002499400000000, 0.0006941200000000 ] - [ 0.0011162700000000, 0.0008944100000000, 0.0012266500000000 ] - [ -0.0048216500000000, -0.0044795500000000, 0.0113600800000000 ] - [ 0.0006311500000000, 0.0008790300000000, -0.0008256800000000 ] - [ -0.0003580900000000, -0.0004769000000000, 0.0002715300000000 ] - [ -0.0006604800000000, -0.0010205600000000, 0.0004344200000000 ] - [ -0.0002782800000000, -0.0022720600000000, -0.0004970500000000 ] - [ -0.0002968000000000, -0.0004520500000000, -0.0003872200000000 ] - [ -0.0002554600000000, 0.0008696800000000, 0.0007265000000000 ] - [ 0.0004361800000000, 0.0003620900000000, -0.0001436800000000 ] - [ -0.0002761700000000, 0.0005917000000000, -0.0001392100000000 ] - [ 0.0056515200000000, -0.0031746100000000, 0.0140984700000000 ] - [ -0.0005827100000000, -0.0000892100000000, 0.0002286300000000 ] - [ 0.0001680200000000, -0.0004927900000000, 0.0002893000000000 ] - [ 0.0005510200000000, -0.0031490700000000, -0.0028784600000000 ] - [ -0.0010395900000000, -0.0005026000000000, -0.0009025100000000 ] - [ 0.0009718000000000, 0.0005588400000000, 0.0013636200000000 ] - [ -0.0001264700000000, 0.0003892200000000, 0.0007010100000000 ] - [ -0.0008070200000000, 0.0000693000000000, -0.0009260300000000 ] - [ 0.0045587600000000, -0.0006247600000000, -0.0021265500000000 ] - [ -0.0001668400000000, 0.0013516900000000, 0.0002265500000000 ] - [ 0.0089195400000000, 0.0078020900000000, -0.0117207100000000 ] - [ 0.0000733600000000, 0.0018379300000000, 0.0003102300000000 ] - [ -0.0001580500000000, 0.0013610900000000, 0.0002263200000000 ] - [ 0.0000135500000000, -0.0042575000000000, -0.0005704000000000 ] - [ 0.0000063400000000, -0.0011291500000000, -0.0002856600000000 ] - [ 0.0000333400000000, -0.0009119700000000, 0.0004108200000000 ] - [ 0.0000794300000000, -0.0011183000000000, 0.0003935200000000 ] - [ 0.0222382300000000, 0.2339658600000000, -0.1210271100000000 ] - [ -0.0001738600000000, 0.0010007000000000, -0.0008658000000000 ] - [ -0.0005759400000000, 0.0005097500000000, 0.0001917600000000 ] - [ -0.0001771600000000, 0.0005094500000000, 0.0000993100000000 ] - [ 0.0006852100000000, -0.0008467100000000, -0.0007140000000000 ] - [ 0.0010980900000000, -0.0034782800000000, -0.0016388900000000 ] - [ 0.0004413500000000, -0.0003924800000000, 0.0000692400000000 ] - [ 0.0002118300000000, -0.0003971400000000, 0.0000182500000000 ] - [ 0.0099778400000000, -0.0401365100000000, -0.0076831600000000 ] - [ -0.0007017800000000, 0.0013370500000000, -0.0006334100000000 ] - [ 0.0000265100000000, 0.0000921800000000, 0.0018354600000000 ] - [ -0.0002075700000000, -0.0000180600000000, 0.0016646700000000 ] - [ 0.0004824200000000, 0.0005564200000000, 0.0003711800000000 ] - [ 0.0003416300000000, -0.0028288100000000, 0.0003823000000000 ] - [ 0.0006284400000000, -0.0015278900000000, 0.0001934300000000 ] - [ 0.0008142200000000, -0.0015027800000000, 0.0001909300000000 ] - [ -0.0005577800000000, 0.0003889100000000, -0.0006383400000000 ] - [ 0.0007680500000000, -0.0011857000000000, -0.0049775600000000 ] - [ 0.0004484600000000, 0.0000171600000000, 0.0016575200000000 ] - [ -0.0013022000000000, 0.0000744600000000, 0.0018541500000000 ] - [ -0.0000931500000000, -0.0005781300000000, -0.0023869100000000 ] - [ -0.0002939200000000, 0.0005865900000000, -0.0000310100000000 ] - [ -0.0004780700000000, -0.0012686800000000, 0.0006898100000000 ] - [ 0.0004881600000000, -0.0009788200000000, 0.0005287900000000 ] - [ -0.0002225800000000, 0.0006419000000000, 0.0000710700000000 ] - [ 0.0005335600000000, 0.0008518200000000, -0.0001678700000000 ] - [ -0.0011701100000000, 0.0069469100000000, -0.0006999700000000 ] - [ -0.0007053700000000, 0.0016701400000000, -0.0002297600000000 ] - [ 0.0008906800000000, -0.0023383500000000, -0.0010425800000000 ] - [ -0.0001423700000000, -0.0019998100000000, -0.0005266100000000 ] - [ -0.0003990300000000, -0.0013155900000000, 0.0001506000000000 ] - [ -0.0024934700000000, -0.0507241600000000, 0.0035784000000000 ] - [ -0.0002339800000000, 0.0007395500000000, 0.0003401200000000 ] - [ 0.0002123900000000, 0.0006784600000000, 0.0003349600000000 ] - [ -0.0003164800000000, 0.0013002000000000, -0.0000178300000000 ] - [ 0.0004739300000000, 0.0066288300000000, -0.0003183500000000 ] - [ 0.0007320200000000, -0.0012738700000000, -0.0021390300000000 ] - [ -0.0008969900000000, -0.0013288500000000, -0.0019710900000000 ] - [ -0.0002305900000000, -0.1343289800000000, 0.0685474300000000 ] - [ 0.0004180900000000, -0.0013123300000000, 0.0022694900000000 ] - [ 0.0003626200000000, 0.0014683400000000, -0.0010290900000000 ] - [ -0.0007057100000000, 0.0015745800000000, -0.0006658600000000 ] - [ 0.0006504900000000, 0.0056089600000000, 0.0048120600000000 ] - [ 0.0008375200000000, 0.0007801700000000, 0.0009741300000000 ] - [ -0.0014760100000000, -0.0021881600000000, -0.0020341800000000 ] - [ 0.0010638200000000, -0.0019227200000000, -0.0018850300000000 ] - [ 0.0015056100000000, -0.0012126700000000, 0.0009937200000000 ] - [ -0.0161460800000000, -0.0009309400000000, 0.0183045500000000 ] - [ 0.0013820000000000, 0.0013583400000000, -0.0000856000000000 ] - [ -0.0018652500000000, 0.0014592500000000, -0.0004220900000000 ] - [ -0.0002547600000000, -0.0005745300000000, 0.0001153600000000 ] - [ -0.0000756600000000, -0.0002712900000000, -0.0001283500000000 ] - [ -0.0024954900000000, 0.0015744600000000, 0.0000781500000000 ] - [ 0.0020349900000000, 0.0019917200000000, -0.0003685600000000 ] - [ 0.0002161700000000, -0.0001106400000000, 0.0000118400000000 ] - [ -0.0000102200000000, 0.0001560200000000, 0.0007508900000000 ] - [ 0.0003479400000000, -0.0039477200000000, 0.0011518300000000 ] - [ 0.0004054100000000, -0.0037324400000000, 0.0040126300000000 ] - [ 0.0000814600000000, 0.0014596600000000, -0.0044963100000000 ] - [ -0.0001021900000000, 0.0002716800000000, -0.0006938100000000 ] - [ 0.0013602100000000, 0.0021142900000000, 0.0008513300000000 ] - [ -0.0005528500000000, 0.0010566300000000, 0.0001206500000000 ] - [ -0.0000352900000000, 0.0012147400000000, -0.0001056000000000 ] - [ 0.0007843800000000, 0.0043168300000000, -0.0027988900000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000667500000000, 0.0003631200000000, 0.0007272500000000 ] - [ 0.0000354400000000, 0.0001821300000000, 0.0005811600000000 ] - [ -0.0002400900000000, -0.0025323400000000, -0.0009811500000000 ] - [ -0.0003687900000000, -0.0004849000000000, -0.0002848000000000 ] - [ 0.0002005400000000, 0.0002695400000000, 0.0003058200000000 ] - [ -0.0006724600000000, 0.0002718800000000, 0.0007621900000000 ] - [ -0.0006568100000000, 0.0005516500000000, -0.0004130500000000 ] - [ -0.0138986300000000, -0.0197220800000000, 0.0256995700000000 ] - [ -0.0008159600000000, -0.0001820900000000, 0.0003687900000000 ] - [ -0.0008211800000000, -0.0001469800000000, 0.0010819400000000 ] - [ -0.0001160300000000, -0.0009825600000000, -0.0009007100000000 ] - [ -0.0006458700000000, -0.0002037700000000, -0.0003719100000000 ] - [ 0.0004751000000000, 0.0004176800000000, 0.0018716500000000 ] - [ -0.0000180200000000, 0.0001833000000000, 0.0009795100000000 ] - [ 0.0006585200000000, 0.0006540900000000, -0.0014054900000000 ] - [ -0.0090176200000000, -0.0011775500000000, -0.0067036000000000 ] - [ 0.0004618600000000, -0.0006279500000000, 0.0002461500000000 ] - [ -0.0006711300000000, -0.0002366500000000, -0.0000562000000000 ] - [ -0.0002477300000000, -0.0002644800000000, 0.0000050100000000 ] - [ -0.0003513300000000, -0.0010982100000000, -0.0005943600000000 ] - [ 0.0001774100000000, 0.0001034400000000, 0.0012429700000000 ] - [ 0.0017174000000000, 0.0007129600000000, 0.0021823900000000 ] - [ -0.0122886100000000, -0.0203766300000000, 0.0159318000000000 ] - [ 0.0007580200000000, 0.0004615200000000, -0.0011806500000000 ] - [ -0.0001868400000000, -0.0002999800000000, 0.0006594900000000 ] - [ -0.0012020700000000, -0.0006886300000000, 0.0009686800000000 ] - [ -0.0002654700000000, -0.0014789000000000, -0.0015850400000000 ] - [ -0.0007104400000000, -0.0001946100000000, -0.0007131200000000 ] - [ -0.0007659400000000, 0.0007147500000000, 0.0017473800000000 ] - [ 0.0005085100000000, 0.0001874400000000, 0.0005965100000000 ] - [ -0.0009041200000000, 0.0003253700000000, -0.0004620500000000 ] - [ 0.0142083800000000, -0.0236007000000000, 0.0187898400000000 ] - [ -0.0008201700000000, -0.0000569300000000, 0.0006786600000000 ] - [ 0.0001365700000000, -0.0005658500000000, 0.0008865800000000 ] - [ -0.0005410400000000, 0.0012858300000000, -0.0018197600000000 ] - [ -0.0009033600000000, -0.0002491100000000, -0.0013429900000000 ] - [ 0.0011712600000000, 0.0002864500000000, 0.0019199900000000 ] - [ -0.0004531700000000, 0.0001535700000000, 0.0010858000000000 ] - [ -0.0004912600000000, -0.0000882800000000, -0.0016294100000000 ] - [ -0.0010058300000000, 0.0032502200000000, -0.0051802700000000 ] - [ -0.0002615600000000, 0.0007180500000000, -0.0001096200000000 ] - [ -0.0192737700000000, 0.0293460700000000, 0.0164164000000000 ] - [ 0.0004822400000000, 0.0011500800000000, 0.0009448700000000 ] - [ -0.0005352800000000, 0.0006635700000000, 0.0008004200000000 ] - [ 0.0003066400000000, -0.0006695700000000, -0.0009961700000000 ] - [ -0.0000934500000000, -0.0007003100000000, -0.0004173200000000 ] - [ -0.0000325500000000, -0.0006884000000000, 0.0007223500000000 ] - [ 0.0001046200000000, -0.0008015000000000, 0.0006139900000000 ] - [ 0.0969432300000000, 0.1225815300000000, -0.2465312200000000 ] - [ -0.0003643300000000, 0.0008552000000000, -0.0011548500000000 ] - [ -0.0000585900000000, -0.0000893000000000, 0.0013094100000000 ] - [ 0.0000336700000000, -0.0001824800000000, 0.0013089900000000 ] - [ 0.0005040300000000, -0.0007282600000000, -0.0008653900000000 ] - [ 0.0014063400000000, -0.0016596700000000, -0.0025735900000000 ] - [ 0.0007232800000000, 0.0000824200000000, 0.0008690900000000 ] - [ 0.0004529000000000, 0.0000316200000000, 0.0007406400000000 ] - [ 0.0045527600000000, 0.0012081600000000, -0.0156199100000000 ] - [ -0.0006354700000000, 0.0008610300000000, -0.0013232400000000 ] - [ 0.0002686000000000, 0.0000785200000000, 0.0026100500000000 ] - [ -0.0000332400000000, -0.0000022400000000, 0.0024571900000000 ] - [ 0.0004431900000000, 0.0008893000000000, -0.0000354700000000 ] - [ 0.0016346000000000, 0.0006742800000000, -0.0022572100000000 ] - [ 0.0009101700000000, -0.0016735800000000, 0.0009214100000000 ] - [ 0.0009317700000000, -0.0015871200000000, 0.0008522600000000 ] - [ -0.0008305500000000, 0.0001233400000000, -0.0009006600000000 ] - [ 0.0012612100000000, 0.0038596700000000, -0.0020489000000000 ] - [ 0.0006721500000000, -0.0002081300000000, 0.0016508400000000 ] - [ -0.0016838400000000, -0.0000506400000000, 0.0020312000000000 ] - [ 0.0000022500000000, 0.0036274900000000, 0.0007740300000000 ] - [ -0.0006621000000000, 0.0009196700000000, -0.0000840900000000 ] - [ -0.0007789500000000, -0.0017187300000000, 0.0014363500000000 ] - [ 0.0005083400000000, -0.0013463800000000, 0.0013302200000000 ] - [ 0.0000041700000000, -0.0001518200000000, -0.0011518000000000 ] - [ 0.0000850600000000, 0.0001986000000000, -0.0010672300000000 ] - [ -0.0012111300000000, 0.0033729400000000, 0.0026129800000000 ] - [ -0.0000602000000000, 0.0014475800000000, 0.0004265200000000 ] - [ -0.0005667000000000, -0.0021077800000000, -0.0026261200000000 ] - [ 0.0009547900000000, -0.0010117700000000, -0.0027110000000000 ] - [ 0.0004263800000000, -0.0007193300000000, 0.0013005200000000 ] - [ -0.0478278600000000, -0.0169261800000000, 0.0884629400000000 ] - [ -0.0008767000000000, 0.0003932200000000, -0.0009340400000000 ] - [ 0.0007413500000000, 0.0003038200000000, -0.0008382200000000 ] - [ 0.0000970500000000, 0.0008486400000000, 0.0007231300000000 ] - [ -0.0000775100000000, 0.0030666000000000, 0.0033023300000000 ] - [ 0.0012470800000000, -0.0008374400000000, -0.0039700600000000 ] - [ -0.0015042500000000, -0.0007904200000000, -0.0041263600000000 ] - [ -0.0060563000000000, -0.0583909800000000, 0.0935756900000000 ] - [ 0.0008453400000000, -0.0006687700000000, 0.0034356600000000 ] - [ 0.0005930200000000, 0.0016420400000000, -0.0021407100000000 ] - [ -0.0004909500000000, 0.0015883300000000, -0.0017010800000000 ] - [ -0.0009238600000000, -0.0027314100000000, 0.0046588000000000 ] - [ 0.0008730500000000, 0.0001782700000000, 0.0011474600000000 ] - [ -0.0022658500000000, -0.0007673900000000, -0.0030077500000000 ] - [ 0.0015507600000000, -0.0009876100000000, -0.0029342200000000 ] - [ 0.0014071800000000, -0.0005770100000000, 0.0014508000000000 ] - [ -0.0050814200000000, -0.0224394400000000, 0.0187050600000000 ] - [ 0.0018990000000000, 0.0022645900000000, 0.0003777100000000 ] - [ -0.0021406000000000, 0.0021418300000000, 0.0012865600000000 ] - [ -0.0001490600000000, -0.0004996500000000, -0.0013338800000000 ] - [ -0.0000304000000000, -0.0002421700000000, -0.0004066300000000 ] - [ -0.0025364400000000, 0.0012206300000000, 0.0017455000000000 ] - [ 0.0021480400000000, 0.0017684200000000, 0.0001165300000000 ] - [ 0.0002305100000000, -0.0002355600000000, -0.0001540200000000 ] - [ 0.0000928600000000, -0.0004408500000000, -0.0010291200000000 ] - [ 0.0037649400000000, -0.0043454300000000, -0.0006142800000000 ] - [ -0.0045451100000000, -0.0045686700000000, 0.0020618200000000 ] - [ 0.0000505500000000, 0.0024676100000000, -0.0070857200000000 ] - [ 0.0000314100000000, 0.0004128700000000, -0.0012163200000000 ] - [ -0.0007993300000000, -0.0000061000000000, 0.0008094100000000 ] - [ 0.0009593100000000, -0.0005270400000000, 0.0001067500000000 ] - [ 0.0001016700000000, 0.0010770100000000, -0.0000954900000000 ] - [ 0.0007795200000000, 0.0049003500000000, -0.0037287400000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001841000000000, -0.0004385400000000, -0.0006494100000000 ] - [ 0.0000788300000000, -0.0002560000000000, -0.0005024800000000 ] - [ 0.0003608000000000, 0.0026096000000000, 0.0009094000000000 ] - [ 0.0004835400000000, 0.0005596200000000, 0.0002084100000000 ] - [ -0.0003150000000000, -0.0003414400000000, -0.0003850100000000 ] - [ 0.0005552200000000, -0.0003450400000000, -0.0008390100000000 ] - [ 0.0005453100000000, -0.0004783300000000, 0.0004891400000000 ] - [ 0.0135355900000000, 0.0192952000000000, -0.0250013200000000 ] - [ -0.0002497700000000, 0.0000772300000000, -0.0007482200000000 ] - [ -0.0002474500000000, 0.0000419100000000, -0.0014589600000000 ] - [ -0.0009503000000000, 0.0010829000000000, 0.0012874000000000 ] - [ -0.0004201300000000, 0.0003086500000000, 0.0007513000000000 ] - [ 0.0005913100000000, -0.0005200800000000, -0.0014936400000000 ] - [ 0.0010828400000000, -0.0002885500000000, -0.0006012000000000 ] - [ 0.0004067200000000, -0.0005475700000000, 0.0010269700000000 ] - [ 0.0101678100000000, 0.0013307400000000, 0.0061776000000000 ] - [ -0.0014091000000000, 0.0004991600000000, -0.0011026700000000 ] - [ -0.0002787000000000, 0.0001103200000000, -0.0008008400000000 ] - [ -0.0006998500000000, 0.0003900600000000, 0.0008510100000000 ] - [ -0.0006042400000000, 0.0012257900000000, 0.0014481400000000 ] - [ 0.0007738400000000, -0.0002305400000000, -0.0003865100000000 ] - [ -0.0007710300000000, -0.0008412300000000, -0.0013280300000000 ] - [ 0.0136277100000000, 0.0209211400000000, -0.0170329400000000 ] - [ 0.0001881400000000, -0.0003373900000000, 0.0003274500000000 ] - [ -0.0004296300000000, 0.0001532000000000, -0.0001721000000000 ] - [ 0.0005820600000000, 0.0005405700000000, -0.0004806500000000 ] - [ -0.0003543700000000, 0.0016182900000000, 0.0010904200000000 ] - [ 0.0000960900000000, 0.0003438000000000, 0.0002240700000000 ] - [ 0.0013859400000000, -0.0008622300000000, -0.0022373900000000 ] - [ 0.0001070600000000, -0.0003351100000000, -0.0010857000000000 ] - [ 0.0015237700000000, -0.0001787300000000, 0.0009544100000000 ] - [ -0.0139844000000000, 0.0242122800000000, -0.0185791100000000 ] - [ 0.0002302300000000, 0.0003140700000000, -0.0009461800000000 ] - [ -0.0007292200000000, 0.0008244900000000, -0.0011532800000000 ] - [ -0.0000516000000000, -0.0015410600000000, 0.0020972700000000 ] - [ 0.0003201600000000, -0.0000046500000000, 0.0016246000000000 ] - [ -0.0005768300000000, -0.0000297100000000, -0.0016492300000000 ] - [ 0.0010463400000000, 0.0001017900000000, -0.0008209800000000 ] - [ 0.0010795500000000, -0.0001689500000000, 0.0013611400000000 ] - [ 0.0016064100000000, -0.0034876400000000, 0.0048859500000000 ] - [ 0.0000961600000000, -0.0008487900000000, 0.0005324100000000 ] - [ 0.0186966100000000, -0.0289780600000000, -0.0156182500000000 ] - [ -0.0006454400000000, -0.0010187100000000, -0.0013676000000000 ] - [ 0.0003696300000000, -0.0005393900000000, -0.0012267200000000 ] - [ -0.0001388400000000, 0.0005358200000000, 0.0005767900000000 ] - [ 0.0002605200000000, 0.0005749300000000, -0.0000043800000000 ] - [ 0.0001985200000000, 0.0008179700000000, -0.0002980100000000 ] - [ 0.0000599400000000, 0.0009305400000000, -0.0001904800000000 ] - [ -0.0928059700000000, -0.1260632700000000, 0.2447480800000000 ] - [ -0.0003852900000000, -0.0009751300000000, 0.0012503000000000 ] - [ -0.0006926800000000, 0.0002061000000000, -0.0014012900000000 ] - [ -0.0007872000000000, 0.0002975900000000, -0.0014018000000000 ] - [ 0.0002470800000000, 0.0006123600000000, 0.0007737100000000 ] - [ -0.0006552400000000, 0.0015411400000000, 0.0024812200000000 ] - [ 0.0000298900000000, 0.0000326700000000, -0.0007768400000000 ] - [ 0.0002974100000000, 0.0000842600000000, -0.0006492800000000 ] - [ -0.0054383800000000, 0.0002465200000000, 0.0145444700000000 ] - [ -0.0003514200000000, 0.0008864300000000, 0.0002835000000000 ] - [ -0.0012513400000000, -0.0018269500000000, -0.0015672600000000 ] - [ -0.0009560300000000, -0.0017490900000000, -0.0014204600000000 ] - [ 0.0005443200000000, 0.0008590600000000, 0.0010786100000000 ] - [ -0.0006501900000000, 0.0010817200000000, 0.0032990000000000 ] - [ 0.0000757900000000, -0.0000737900000000, -0.0019652000000000 ] - [ 0.0000521300000000, -0.0001601100000000, -0.0018966700000000 ] - [ 0.0004151700000000, 0.0006351300000000, 0.0002749300000000 ] - [ -0.0016539400000000, -0.0030806600000000, 0.0014015400000000 ] - [ -0.0010818800000000, -0.0005524900000000, -0.0010258200000000 ] - [ 0.0012685900000000, -0.0007112300000000, -0.0014258300000000 ] - [ 0.0004100100000000, -0.0028955400000000, -0.0001608100000000 ] - [ 0.0010807600000000, -0.0001631000000000, 0.0007125300000000 ] - [ 0.0011956000000000, 0.0009619100000000, -0.0020607800000000 ] - [ -0.0000964900000000, 0.0005901300000000, -0.0019573500000000 ] - [ -0.0003266600000000, -0.0004729400000000, 0.0018002100000000 ] - [ -0.0004011400000000, -0.0008249700000000, 0.0017151600000000 ] - [ 0.0008873100000000, -0.0027387100000000, -0.0032767500000000 ] - [ -0.0002586200000000, -0.0008243800000000, -0.0010763600000000 ] - [ 0.0008841900000000, 0.0014751200000000, 0.0019786000000000 ] - [ -0.0006298500000000, 0.0003898200000000, 0.0020642700000000 ] - [ -0.0001092300000000, 0.0013489100000000, -0.0006518700000000 ] - [ 0.0435978100000000, 0.0160868600000000, -0.0839227700000000 ] - [ 0.0008676100000000, -0.0008242700000000, 0.0025505600000000 ] - [ -0.0007455100000000, -0.0007366000000000, 0.0024546900000000 ] - [ -0.0001077700000000, -0.0004186900000000, -0.0023376200000000 ] - [ 0.0000800200000000, -0.0026256300000000, -0.0049018800000000 ] - [ -0.0012453300000000, 0.0004058100000000, 0.0023568100000000 ] - [ 0.0015154800000000, 0.0003615700000000, 0.0025155700000000 ] - [ 0.0063317900000000, 0.0631461900000000, -0.0944043500000000 ] - [ -0.0008387300000000, 0.0011042300000000, -0.0018304500000000 ] - [ -0.0009307200000000, -0.0017937200000000, 0.0022023300000000 ] - [ 0.0001557900000000, -0.0017411700000000, 0.0017645500000000 ] - [ 0.0005815500000000, 0.0028809500000000, -0.0047463800000000 ] - [ -0.0012212300000000, -0.0000296500000000, -0.0012161700000000 ] - [ 0.0025921800000000, 0.0006169800000000, 0.0029422000000000 ] - [ -0.0012152500000000, 0.0008480000000000, 0.0028839200000000 ] - [ -0.0010668300000000, 0.0007285200000000, -0.0013869500000000 ] - [ 0.0052729300000000, 0.0224632400000000, -0.0184371500000000 ] - [ -0.0022160900000000, -0.0019173500000000, -0.0003294600000000 ] - [ 0.0018581100000000, -0.0017947300000000, -0.0012392600000000 ] - [ -0.0001518000000000, 0.0001314900000000, 0.0012778000000000 ] - [ -0.0002697700000000, -0.0001267400000000, 0.0003495300000000 ] - [ 0.0028273300000000, -0.0008521300000000, -0.0017970300000000 ] - [ -0.0018574100000000, -0.0014150000000000, -0.0001702700000000 ] - [ 0.0000696100000000, -0.0001327900000000, 0.0002123200000000 ] - [ 0.0002072500000000, 0.0000707300000000, 0.0010873900000000 ] - [ -0.0039899300000000, 0.0031769800000000, 0.0013157400000000 ] - [ 0.0043528600000000, 0.0034049500000000, -0.0013758700000000 ] - [ -0.0002612000000000, -0.0012960100000000, 0.0064002100000000 ] - [ -0.0002398900000000, 0.0007659600000000, 0.0005137800000000 ] - [ 0.0010126700000000, -0.0011668800000000, -0.0015026800000000 ] - [ -0.0007494500000000, -0.0006551300000000, -0.0008055700000000 ] - [ 0.0001037600000000, 0.0001016500000000, 0.0008008500000000 ] - [ -0.0005614400000000, -0.0037064500000000, 0.0044202700000000 ]- atom: 57 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001009300000000, -0.0004146600000000, -0.0004699800000000 ] - [ 0.0000475100000000, -0.0000938000000000, -0.0000433000000000 ] - [ -0.0019609700000000, 0.0004460800000000, -0.0004453000000000 ] - [ 0.0010867600000000, 0.0003876900000000, 0.0002568300000000 ] - [ -0.0003082000000000, -0.0000415700000000, 0.0004674500000000 ] - [ 0.0008145900000000, 0.0005824700000000, -0.0016993400000000 ] - [ 0.0005452600000000, -0.0002747700000000, 0.0003952200000000 ] - [ -0.0014152300000000, 0.0016101600000000, 0.0014930200000000 ] - [ -0.0002444800000000, -0.0000279300000000, -0.0004593500000000 ] - [ -0.0007887400000000, -0.0001838800000000, -0.0003154300000000 ] - [ -0.0013598100000000, 0.0035216500000000, -0.0014085100000000 ] - [ 0.0011643900000000, -0.0007185800000000, 0.0011826000000000 ] - [ -0.0003798400000000, 0.0002950000000000, -0.0001634200000000 ] - [ 0.0013403900000000, 0.0000625600000000, -0.0004428000000000 ] - [ 0.0015700200000000, -0.0003003600000000, 0.0005054500000000 ] - [ -0.0007257200000000, 0.0015497500000000, 0.0014258100000000 ] - [ -0.0011631800000000, -0.0002762100000000, -0.0006311300000000 ] - [ -0.0000642800000000, -0.0002446700000000, -0.0008941200000000 ] - [ 0.0001479800000000, 0.0001301000000000, 0.0004558800000000 ] - [ -0.0013205700000000, -0.0005034200000000, 0.0008800500000000 ] - [ 0.0009488700000000, -0.0000035400000000, 0.0000540000000000 ] - [ 0.0001414100000000, 0.0000150800000000, 0.0004275900000000 ] - [ 0.0084732700000000, -0.0179847400000000, -0.0255532000000000 ] - [ 0.0020250200000000, 0.0005817400000000, -0.0002815100000000 ] - [ -0.0003518000000000, 0.0000451900000000, 0.0003375600000000 ] - [ -0.0000624100000000, -0.0005381600000000, -0.0003890400000000 ] - [ -0.0010045800000000, 0.0001232300000000, -0.0000110300000000 ] - [ 0.0007403200000000, -0.0005227400000000, 0.0002068300000000 ] - [ 0.0007383400000000, -0.0003318100000000, -0.0016150000000000 ] - [ 0.0004883400000000, 0.0000311900000000, -0.0004280000000000 ] - [ 0.0021032600000000, 0.0001106800000000, 0.0005926800000000 ] - [ -0.0063366800000000, 0.0078096600000000, 0.0133261800000000 ] - [ 0.0002418400000000, 0.0001420200000000, -0.0005604600000000 ] - [ -0.0007960400000000, 0.0003070900000000, -0.0003983100000000 ] - [ -0.0007775400000000, -0.0004667900000000, 0.0003185400000000 ] - [ 0.0001009000000000, -0.0001344500000000, 0.0003537600000000 ] - [ -0.0000729700000000, 0.0000384200000000, -0.0000202500000000 ] - [ 0.0006916500000000, 0.0003611700000000, -0.0000723400000000 ] - [ 0.0033062900000000, 0.0000018500000000, 0.0010052400000000 ] - [ 0.0278140200000000, -0.0101310600000000, -0.0160950900000000 ] - [ 0.0006744200000000, -0.0002450400000000, 0.0004400100000000 ] - [ 0.0008653200000000, 0.0125826000000000, -0.0076940600000000 ] - [ -0.0003589800000000, 0.0000479100000000, -0.0000712400000000 ] - [ 0.0002291300000000, 0.0008234200000000, -0.0006106200000000 ] - [ -0.0006949000000000, 0.0006520000000000, -0.0003899300000000 ] - [ 0.0004912600000000, -0.0005509700000000, 0.0000543800000000 ] - [ 0.0002229000000000, 0.0003077700000000, -0.0000920000000000 ] - [ -0.0000543400000000, -0.0001733100000000, 0.0001668400000000 ] - [ -0.0125040700000000, -0.0105023700000000, 0.0050266600000000 ] - [ 0.0004109200000000, 0.0001517700000000, -0.0000980400000000 ] - [ -0.0005713600000000, 0.0003421400000000, -0.0005028700000000 ] - [ -0.0004571700000000, 0.0005733500000000, -0.0007984500000000 ] - [ 0.0012496000000000, -0.0000692800000000, -0.0000968600000000 ] - [ -0.0012960200000000, -0.0001953800000000, 0.0010894600000000 ] - [ 0.0001791800000000, -0.0000772800000000, -0.0003689300000000 ] - [ 0.0002895700000000, -0.0002627500000000, -0.0003899100000000 ] - [ -0.1747733500000000, 0.0132628600000000, 0.1043404800000000 ] - [ 0.0011862900000000, 0.0009121600000000, -0.0006213100000000 ] - [ -0.0004938300000000, -0.0011595400000000, -0.0000251000000000 ] - [ -0.0004917800000000, -0.0006939600000000, 0.0002923700000000 ] - [ 0.0008339500000000, 0.0006520800000000, 0.0007245600000000 ] - [ -0.0001735900000000, 0.0004572900000000, 0.0013361300000000 ] - [ 0.0002587000000000, -0.0005762500000000, -0.0011511000000000 ] - [ 0.0004236500000000, -0.0008984700000000, -0.0008176300000000 ] - [ 0.0015393400000000, 0.0010067300000000, 0.0004652400000000 ] - [ -0.0052745600000000, -0.0005160200000000, -0.0039761900000000 ] - [ -0.0002838000000000, -0.0004820300000000, 0.0003072500000000 ] - [ -0.0000777900000000, -0.0002268100000000, 0.0002449000000000 ] - [ -0.0003430200000000, 0.0003224500000000, 0.0001602400000000 ] - [ 0.0010102200000000, -0.0001007700000000, 0.0004236600000000 ] - [ 0.0006023900000000, 0.0002572100000000, -0.0014298000000000 ] - [ 0.0001684400000000, -0.0004543100000000, -0.0002861500000000 ] - [ -0.0004702200000000, -0.0001917300000000, 0.0010808100000000 ] - [ 0.0002504100000000, -0.0000384300000000, 0.0006069200000000 ] - [ 0.0048166600000000, -0.0022752600000000, 0.0005837500000000 ] - [ -0.0026441400000000, 0.0004012100000000, -0.0014352200000000 ] - [ 0.0015485400000000, -0.0003985800000000, -0.0006710600000000 ] - [ -0.0010900200000000, -0.0017070000000000, 0.0015697300000000 ] - [ -0.0017448500000000, 0.0004992300000000, -0.0002133700000000 ] - [ 0.0073206000000000, -0.0089373400000000, -0.0117730800000000 ] - [ 0.0007345500000000, -0.0003376300000000, 0.0014297000000000 ] - [ -0.0005035800000000, 0.0001401400000000, 0.0017937200000000 ] - [ -0.0012926000000000, 0.0003506800000000, -0.0013696900000000 ] - [ 0.0014106600000000, 0.0008340200000000, -0.0019249500000000 ] - [ -0.0010177400000000, -0.0002882800000000, 0.0005008200000000 ] - [ 0.0000817600000000, -0.0006838000000000, -0.0000650100000000 ] - [ 0.0491730500000000, 0.0141458100000000, 0.0034505100000000 ] - [ -0.0029099400000000, -0.0002220200000000, 0.0002658800000000 ] - [ -0.0008621300000000, -0.0008835400000000, 0.0013217100000000 ] - [ 0.0004152200000000, 0.0003004800000000, 0.0001267800000000 ] - [ 0.0010233800000000, 0.0001973200000000, -0.0003962800000000 ] - [ -0.0009334000000000, 0.0007467000000000, -0.0003975300000000 ] - [ 0.0008070400000000, 0.0001005800000000, 0.0002165800000000 ] - [ -0.0003546100000000, -0.0009436000000000, 0.0005022600000000 ] - [ -0.0040625100000000, 0.0002763900000000, -0.0011816800000000 ] - [ 0.1083577400000000, -0.0044021200000000, -0.0617332200000000 ] - [ -0.0024023800000000, -0.0013160000000000, 0.0007239000000000 ] - [ -0.0001081200000000, 0.0011089400000000, -0.0033584600000000 ] - [ 0.0002063900000000, -0.0000775600000000, 0.0002427400000000 ] - [ -0.0004423000000000, -0.0001852600000000, 0.0001294900000000 ] - [ 0.0003481000000000, 0.0004819100000000, -0.0004392300000000 ] - [ -0.0001145500000000, 0.0001822700000000, -0.0001065900000000 ] - [ -0.0002557700000000, -0.0001623400000000, 0.0000578700000000 ] - [ 0.0004659600000000, 0.0000630700000000, 0.0014015200000000 ] - [ -0.0026923400000000, 0.0023188900000000, 0.0011962300000000 ] - [ -0.0001602400000000, -0.0015888700000000, 0.0001873500000000 ] - [ 0.0022870400000000, 0.0000308200000000, 0.0018455700000000 ] - [ -0.0010594300000000, 0.0005102200000000, -0.0000917200000000 ] - [ 0.0005504300000000, -0.0028455300000000, -0.0032342900000000 ] - [ -0.0031437600000000, 0.0031542700000000, 0.0012771600000000 ] - [ -0.0004051600000000, 0.0007664200000000, 0.0003761700000000 ] - [ 0.0005872000000000, 0.0007486800000000, 0.0005644200000000 ]- atom: 57 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000134500000000, 0.0003454800000000, 0.0005510200000000 ] - [ 0.0000704500000000, 0.0000264900000000, 0.0001261800000000 ] - [ 0.0020773200000000, -0.0003974100000000, 0.0003713000000000 ] - [ -0.0009755800000000, -0.0003176000000000, -0.0003388700000000 ] - [ 0.0001951200000000, -0.0000350600000000, -0.0005369600000000 ] - [ -0.0009352300000000, -0.0006638100000000, 0.0016387300000000 ] - [ -0.0006621400000000, 0.0003469900000000, -0.0003198800000000 ] - [ 0.0013142100000000, -0.0015406800000000, -0.0014448400000000 ] - [ -0.0008243200000000, -0.0000755600000000, 0.0000839700000000 ] - [ -0.0002760400000000, 0.0000822000000000, -0.0000599100000000 ] - [ 0.0002927400000000, -0.0034014200000000, 0.0017752400000000 ] - [ -0.0022434700000000, 0.0008304200000000, -0.0008145400000000 ] - [ 0.0014496200000000, -0.0004026900000000, 0.0005512400000000 ] - [ -0.0002769900000000, -0.0001696300000000, 0.0008273700000000 ] - [ -0.0005103200000000, 0.0004016700000000, -0.0008891600000000 ] - [ 0.0018160600000000, -0.0014498000000000, -0.0018281800000000 ] - [ 0.0002187400000000, 0.0001539300000000, -0.0002202900000000 ] - [ -0.0008855800000000, 0.0001201600000000, 0.0000453100000000 ] - [ -0.0011001300000000, 0.0000008900000000, 0.0003998900000000 ] - [ 0.0003793200000000, 0.0006404900000000, -0.0000284700000000 ] - [ -0.0000015600000000, -0.0001249200000000, 0.0008055100000000 ] - [ 0.0008172300000000, -0.0001406500000000, 0.0004438000000000 ] - [ -0.0073736100000000, 0.0179412600000000, 0.0243688800000000 ] - [ -0.0010726600000000, -0.0004627600000000, -0.0005829400000000 ] - [ -0.0002637600000000, -0.0001908300000000, 0.0001540600000000 ] - [ -0.0005565000000000, 0.0003971200000000, 0.0008866600000000 ] - [ 0.0003895800000000, 0.0000320100000000, -0.0004821000000000 ] - [ -0.0013635400000000, 0.0006778700000000, -0.0006989100000000 ] - [ -0.0001280200000000, 0.0001857400000000, 0.0011349100000000 ] - [ 0.0001321500000000, -0.0001803000000000, -0.0000530700000000 ] - [ -0.0014930900000000, 0.0000339500000000, -0.0001093800000000 ] - [ 0.0070430100000000, -0.0076027600000000, -0.0128390300000000 ] - [ -0.0008360800000000, 0.0001144300000000, 0.0002957600000000 ] - [ 0.0002067100000000, -0.0000529300000000, 0.0001359500000000 ] - [ 0.0001839200000000, 0.0002172900000000, -0.0000495400000000 ] - [ -0.0006858200000000, -0.0001156500000000, -0.0000879700000000 ] - [ 0.0006654600000000, 0.0002173800000000, 0.0002904700000000 ] - [ -0.0000989200000000, -0.0001058400000000, 0.0003435500000000 ] - [ -0.0027044300000000, -0.0002578900000000, -0.0012796800000000 ] - [ -0.0281824400000000, 0.0101575500000000, 0.0161760900000000 ] - [ -0.0008427200000000, 0.0001076100000000, -0.0000195700000000 ] - [ -0.0009881500000000, -0.0129256300000000, 0.0082557600000000 ] - [ 0.0001929300000000, 0.0000741300000000, -0.0003494100000000 ] - [ -0.0003961000000000, -0.0007042300000000, 0.0001919100000000 ] - [ 0.0008627800000000, -0.0007761800000000, -0.0000379200000000 ] - [ -0.0003250400000000, 0.0004314100000000, -0.0004789300000000 ] - [ -0.0000560900000000, -0.0001783900000000, 0.0005166500000000 ] - [ 0.0002229400000000, 0.0003033500000000, 0.0002565800000000 ] - [ 0.0117716300000000, 0.0106090000000000, -0.0049651300000000 ] - [ -0.0011639500000000, -0.0002723300000000, 0.0001874000000000 ] - [ -0.0001782900000000, -0.0002307000000000, 0.0004191500000000 ] - [ -0.0002890800000000, -0.0004661500000000, 0.0007208600000000 ] - [ -0.0005022200000000, -0.0000460200000000, 0.0000034200000000 ] - [ 0.0020576600000000, 0.0000837100000000, -0.0011961300000000 ] - [ 0.0005754300000000, 0.0001981100000000, 0.0004669400000000 ] - [ 0.0004652800000000, 0.0003856600000000, 0.0004909000000000 ] - [ 0.1773935400000000, -0.0133049700000000, -0.1112939100000000 ] - [ -0.0021757000000000, 0.0008280800000000, -0.0004285300000000 ] - [ -0.0004920300000000, -0.0005896000000000, 0.0010709900000000 ] - [ -0.0004903100000000, -0.0010531000000000, 0.0007576000000000 ] - [ 0.0001545000000000, 0.0011006900000000, 0.0003120900000000 ] - [ 0.0011649600000000, 0.0013039200000000, -0.0003057700000000 ] - [ 0.0007285400000000, -0.0011737800000000, 0.0001138500000000 ] - [ 0.0005655500000000, -0.0008522300000000, -0.0002167100000000 ] - [ -0.0019612500000000, -0.0002518400000000, -0.0010884100000000 ] - [ 0.0049103800000000, 0.0013737900000000, 0.0035854800000000 ] - [ -0.0001332000000000, -0.0002768600000000, 0.0003164100000000 ] - [ -0.0003365100000000, -0.0005325600000000, 0.0003792800000000 ] - [ 0.0007562400000000, 0.0004480300000000, 0.0004666600000000 ] - [ -0.0005955600000000, 0.0008632900000000, 0.0001994700000000 ] - [ -0.0001919200000000, -0.0010211200000000, 0.0008112900000000 ] - [ 0.0002504800000000, -0.0003080500000000, -0.0003314000000000 ] - [ 0.0001531600000000, -0.0004380300000000, -0.0004389200000000 ] - [ -0.0005735800000000, -0.0005938700000000, 0.0000339300000000 ] - [ -0.0051353200000000, 0.0029202000000000, -0.0012006700000000 ] - [ 0.0023408500000000, 0.0002191800000000, 0.0007998000000000 ] - [ -0.0012332900000000, -0.0002167500000000, 0.0000102000000000 ] - [ 0.0014139500000000, 0.0010999300000000, -0.0022395700000000 ] - [ 0.0020723900000000, 0.0001355100000000, 0.0008699200000000 ] - [ -0.0071219900000000, 0.0096213100000000, 0.0125991300000000 ] - [ -0.0007451400000000, -0.0000955900000000, 0.0001724800000000 ] - [ 0.0004996000000000, -0.0005751500000000, -0.0001972200000000 ] - [ 0.0012937500000000, 0.0000741000000000, -0.0002365500000000 ] - [ -0.0014260600000000, -0.0004254800000000, 0.0003300000000000 ] - [ 0.0010319900000000, -0.0001387300000000, -0.0021259600000000 ] - [ -0.0000883400000000, 0.0002589200000000, -0.0015695900000000 ] - [ -0.0488915500000000, -0.0129757200000000, -0.0011590400000000 ] - [ 0.0029226600000000, 0.0006654800000000, 0.0013649400000000 ] - [ 0.0005314900000000, 0.0007372500000000, -0.0012687000000000 ] - [ -0.0007542300000000, -0.0004475500000000, -0.0000737300000000 ] - [ -0.0013622300000000, -0.0000701900000000, 0.0003376300000000 ] - [ 0.0005912200000000, -0.0006071400000000, 0.0003362100000000 ] - [ -0.0004706200000000, -0.0002435900000000, -0.0002818800000000 ] - [ 0.0006882400000000, 0.0008016700000000, -0.0005712300000000 ] - [ 0.0044062800000000, -0.0001167300000000, 0.0012459200000000 ] - [ -0.1112699200000000, 0.0052954500000000, 0.0665210000000000 ] - [ 0.0021102000000000, 0.0016896800000000, -0.0006631100000000 ] - [ -0.0002165800000000, -0.0007287100000000, 0.0034555300000000 ] - [ -0.0005055800000000, -0.0002923000000000, -0.0003041300000000 ] - [ 0.0001420700000000, -0.0001830700000000, -0.0001873300000000 ] - [ -0.0000414100000000, -0.0001211900000000, 0.0003870600000000 ] - [ 0.0004123300000000, 0.0001786100000000, 0.0000534000000000 ] - [ 0.0005584000000000, -0.0002046500000000, -0.0000046600000000 ] - [ -0.0001611600000000, -0.0004307900000000, -0.0013731100000000 ] - [ 0.0025013000000000, -0.0035072500000000, -0.0004995300000000 ] - [ -0.0000820400000000, 0.0003818600000000, 0.0005091100000000 ] - [ -0.0024858500000000, 0.0011639600000000, -0.0025832900000000 ] - [ 0.0008504100000000, 0.0006727700000000, -0.0006117800000000 ] - [ -0.0003478700000000, 0.0016604600000000, 0.0025465600000000 ] - [ 0.0033863300000000, -0.0043767600000000, -0.0019978500000000 ] - [ 0.0006171300000000, 0.0004092300000000, 0.0003238400000000 ] - [ -0.0003805700000000, 0.0004215000000000, 0.0001381500000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000736500000000, 0.0005737600000000, 0.0005375600000000 ] - [ 0.0000913200000000, 0.0006086500000000, 0.0005638300000000 ] - [ -0.0001724600000000, 0.0007983200000000, -0.0032577600000000 ] - [ -0.0001576700000000, -0.0000422300000000, -0.0002718600000000 ] - [ 0.0003827600000000, -0.0009150900000000, 0.0007524400000000 ] - [ -0.0012944300000000, -0.0013160400000000, 0.0009878700000000 ] - [ -0.0002319800000000, 0.0000559500000000, -0.0002683100000000 ] - [ 0.0006409800000000, 0.0028008500000000, -0.0038901500000000 ] - [ -0.0004867300000000, 0.0001931000000000, 0.0000028500000000 ] - [ -0.0003454300000000, 0.0003474800000000, -0.0000691000000000 ] - [ 0.0010709800000000, 0.0036553000000000, -0.0028707100000000 ] - [ -0.0013660700000000, 0.0005286000000000, -0.0003484400000000 ] - [ 0.0015235100000000, -0.0011921800000000, 0.0011359300000000 ] - [ 0.0002945100000000, -0.0004957500000000, 0.0007229000000000 ] - [ -0.0004806200000000, -0.0001178000000000, -0.0007357700000000 ] - [ 0.0052182700000000, 0.0010658800000000, -0.0011769900000000 ] - [ 0.0003172900000000, 0.0009141600000000, 0.0003227100000000 ] - [ -0.0008200000000000, 0.0001364300000000, -0.0001363200000000 ] - [ -0.0001504300000000, 0.0008754400000000, 0.0002299100000000 ] - [ -0.0006246200000000, 0.0014651900000000, 0.0004976600000000 ] - [ 0.0002082400000000, -0.0002676700000000, 0.0007668900000000 ] - [ 0.0010875600000000, -0.0000541400000000, 0.0014804800000000 ] - [ -0.0033110700000000, 0.0013705100000000, 0.0088832900000000 ] - [ 0.0005862100000000, -0.0006544600000000, -0.0007221300000000 ] - [ 0.0000883100000000, 0.0002155700000000, 0.0008368000000000 ] - [ -0.0010928100000000, 0.0008750800000000, 0.0009232400000000 ] - [ -0.0002824000000000, 0.0019886900000000, -0.0001441800000000 ] - [ -0.0005004400000000, 0.0006177300000000, -0.0004312800000000 ] - [ -0.0002259700000000, -0.0000698600000000, 0.0008276200000000 ] - [ 0.0006187200000000, -0.0003426000000000, 0.0002456300000000 ] - [ -0.0002166400000000, -0.0003411400000000, -0.0000106100000000 ] - [ 0.0042962700000000, 0.0004644200000000, 0.0124789900000000 ] - [ -0.0003377000000000, 0.0000617300000000, 0.0001672400000000 ] - [ -0.0001951300000000, -0.0001838100000000, 0.0000923400000000 ] - [ -0.0000794900000000, 0.0015984300000000, 0.0006474900000000 ] - [ 0.0003029100000000, 0.0005191100000000, 0.0001534200000000 ] - [ 0.0001696500000000, 0.0001482200000000, 0.0000296000000000 ] - [ 0.0004595200000000, 0.0000855400000000, 0.0001433400000000 ] - [ 0.0009881800000000, -0.0008802700000000, -0.0005348900000000 ] - [ -0.0164560300000000, -0.0054298700000000, 0.0044369200000000 ] - [ -0.0001619900000000, -0.0012023700000000, 0.0000476700000000 ] - [ 0.0112330000000000, -0.0021735400000000, -0.0145552800000000 ] - [ -0.0001161900000000, -0.0010284000000000, -0.0005009100000000 ] - [ 0.0000555400000000, -0.0009892400000000, -0.0002689000000000 ] - [ -0.0000436500000000, 0.0034780900000000, -0.0007843400000000 ] - [ 0.0000644200000000, 0.0008415800000000, -0.0003600200000000 ] - [ 0.0001389000000000, 0.0003060000000000, 0.0003084000000000 ] - [ 0.0000452100000000, 0.0006075500000000, 0.0002051500000000 ] - [ 0.0084219600000000, 0.0409531800000000, 0.0005356900000000 ] - [ -0.0005955000000000, -0.0005201200000000, 0.0000339100000000 ] - [ 0.0000708600000000, -0.0007989500000000, 0.0008223800000000 ] - [ -0.0000574500000000, -0.0009075400000000, 0.0009006800000000 ] - [ 0.0002523800000000, 0.0002605600000000, -0.0000626100000000 ] - [ 0.0000275100000000, 0.0036485300000000, 0.0001611500000000 ] - [ 0.0007369500000000, 0.0007122300000000, 0.0008441100000000 ] - [ 0.0004979400000000, 0.0006857100000000, 0.0007572400000000 ] - [ 0.0122052200000000, -0.2072297900000000, -0.1132810100000000 ] - [ -0.0004459900000000, 0.0001461200000000, -0.0012037700000000 ] - [ -0.0006696600000000, -0.0009608000000000, 0.0007309400000000 ] - [ -0.0002058400000000, -0.0009596900000000, 0.0008064300000000 ] - [ 0.0007154100000000, 0.0014276600000000, 0.0000274600000000 ] - [ 0.0009109300000000, 0.0035926400000000, -0.0004456600000000 ] - [ 0.0007879300000000, -0.0010572700000000, 0.0001084800000000 ] - [ 0.0004665500000000, -0.0008824700000000, -0.0001029700000000 ] - [ -0.0004532100000000, -0.0000333300000000, -0.0004412900000000 ] - [ -0.0096068300000000, 0.0068317800000000, 0.0287640800000000 ] - [ -0.0004374000000000, -0.0003166700000000, -0.0000395200000000 ] - [ 0.0000435500000000, -0.0003084200000000, -0.0001016600000000 ] - [ 0.0000601500000000, 0.0021187000000000, 0.0007210900000000 ] - [ -0.0000026900000000, 0.0007871600000000, 0.0003001700000000 ] - [ -0.0000441900000000, -0.0009456700000000, -0.0000447700000000 ] - [ 0.0000750400000000, -0.0007477400000000, 0.0000110100000000 ] - [ -0.0003016200000000, -0.0012402200000000, -0.0003274500000000 ] - [ -0.0004329700000000, -0.0014519100000000, -0.0001561700000000 ] - [ 0.0007570300000000, -0.0050313400000000, 0.0044252900000000 ] - [ 0.0006918800000000, -0.0002640400000000, 0.0005658200000000 ] - [ -0.0008298300000000, 0.0019365400000000, -0.0008404700000000 ] - [ 0.0003844600000000, 0.0021054500000000, -0.0016515600000000 ] - [ 0.0012561400000000, 0.0013102200000000, 0.0012820600000000 ] - [ -0.0151511300000000, -0.0037238300000000, 0.0155129800000000 ] - [ -0.0009368700000000, -0.0006483300000000, -0.0006925500000000 ] - [ 0.0007771200000000, -0.0007097000000000, -0.0004158200000000 ] - [ -0.0001817800000000, -0.0006393800000000, -0.0002908000000000 ] - [ 0.0001911900000000, -0.0053802800000000, -0.0013468600000000 ] - [ 0.0007754400000000, 0.0004983700000000, -0.0020809200000000 ] - [ -0.0009916600000000, 0.0006014500000000, -0.0021904100000000 ] - [ -0.0001375000000000, 0.1195782700000000, 0.0713312900000000 ] - [ 0.0003850200000000, 0.0014648700000000, 0.0017598600000000 ] - [ -0.0002460600000000, 0.0002054800000000, -0.0007097800000000 ] - [ 0.0001857500000000, -0.0001448800000000, -0.0004683400000000 ] - [ -0.0009790200000000, -0.0051003200000000, -0.0007943200000000 ] - [ -0.0008061400000000, -0.0010569900000000, 0.0000042200000000 ] - [ 0.0005097700000000, 0.0005473600000000, 0.0001724000000000 ] - [ -0.0003388200000000, 0.0005456000000000, 0.0000662700000000 ] - [ -0.0000893000000000, 0.0014209900000000, 0.0000963800000000 ] - [ 0.0036802700000000, 0.0485804500000000, -0.0019530700000000 ] - [ -0.0000477700000000, 0.0018744100000000, 0.0006515200000000 ] - [ -0.0000023300000000, 0.0014480100000000, 0.0020717100000000 ] - [ -0.0001214200000000, -0.0005007100000000, -0.0004114100000000 ] - [ -0.0001723400000000, -0.0003092400000000, -0.0001577100000000 ] - [ 0.0010856200000000, -0.0011116500000000, 0.0003659600000000 ] - [ -0.0004747700000000, -0.0007721800000000, 0.0002597000000000 ] - [ 0.0001026000000000, -0.0001425400000000, -0.0001583100000000 ] - [ 0.0006020100000000, -0.0002728200000000, -0.0035211100000000 ] - [ 0.0021701800000000, -0.0022280100000000, -0.0006671200000000 ] - [ -0.0028318000000000, -0.0025386800000000, -0.0011280500000000 ] - [ -0.0001516000000000, 0.0033172900000000, -0.0031620700000000 ] - [ 0.0000001800000000, 0.0011040800000000, -0.0005874800000000 ] - [ -0.0043371100000000, -0.0038617300000000, -0.0021175600000000 ] - [ 0.0025212800000000, -0.0027172400000000, -0.0009293100000000 ] - [ 0.0001388200000000, -0.0001110000000000, 0.0003920800000000 ] - [ -0.0000651500000000, -0.0015785100000000, 0.0009093200000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001954800000000, -0.0006542500000000, -0.0004669700000000 ] - [ 0.0000277500000000, -0.0006881300000000, -0.0004910600000000 ] - [ 0.0002873400000000, -0.0007086700000000, 0.0031514500000000 ] - [ 0.0002824400000000, 0.0001204500000000, 0.0001966800000000 ] - [ -0.0005065500000000, 0.0008386600000000, -0.0008311700000000 ] - [ 0.0011870700000000, 0.0012486600000000, -0.0010799800000000 ] - [ 0.0001157400000000, 0.0000219700000000, 0.0003474100000000 ] - [ -0.0007819000000000, -0.0027174200000000, 0.0040278300000000 ] - [ -0.0005846000000000, -0.0002997500000000, -0.0003814900000000 ] - [ -0.0007293000000000, -0.0004553100000000, -0.0003089700000000 ] - [ -0.0021069300000000, -0.0035063700000000, 0.0032240900000000 ] - [ 0.0003049900000000, -0.0004281100000000, 0.0007330800000000 ] - [ -0.0004604600000000, 0.0010927100000000, -0.0007689300000000 ] - [ 0.0007833200000000, 0.0003928700000000, -0.0003544400000000 ] - [ 0.0015632400000000, 0.0002268600000000, 0.0003657300000000 ] - [ -0.0041947900000000, -0.0009404400000000, 0.0008360300000000 ] - [ -0.0012714600000000, -0.0010455600000000, -0.0011823400000000 ] - [ -0.0001231900000000, -0.0002642200000000, -0.0007246700000000 ] - [ -0.0007931700000000, -0.0007524000000000, 0.0006279600000000 ] - [ -0.0003320900000000, -0.0013463700000000, 0.0003674700000000 ] - [ 0.0007412000000000, 0.0001437700000000, 0.0000851500000000 ] - [ -0.0001447900000000, -0.0000708100000000, -0.0006299300000000 ] - [ 0.0044459700000000, -0.0013369900000000, -0.0099876900000000 ] - [ 0.0003658000000000, 0.0007858600000000, -0.0001316600000000 ] - [ -0.0007095500000000, -0.0003613400000000, -0.0003473900000000 ] - [ 0.0004776200000000, -0.0010276700000000, -0.0004404200000000 ] - [ -0.0003389900000000, -0.0018474500000000, -0.0003373600000000 ] - [ -0.0001109700000000, -0.0004780100000000, -0.0000543400000000 ] - [ 0.0008501000000000, -0.0000756500000000, -0.0013272100000000 ] - [ 0.0000008800000000, 0.0001995800000000, -0.0007394700000000 ] - [ 0.0008457700000000, 0.0004899100000000, 0.0005035900000000 ] - [ -0.0038046400000000, -0.0002746200000000, -0.0121441500000000 ] - [ -0.0002523000000000, 0.0001957700000000, -0.0004334400000000 ] - [ -0.0004010900000000, 0.0004426100000000, -0.0003604400000000 ] - [ -0.0005113900000000, -0.0018659500000000, -0.0003902400000000 ] - [ -0.0008978000000000, -0.0007784100000000, 0.0001089800000000 ] - [ 0.0004249200000000, 0.0001115700000000, 0.0002309900000000 ] - [ 0.0001365900000000, 0.0001746700000000, 0.0001167700000000 ] - [ -0.0003912800000000, 0.0006236400000000, 0.0002790500000000 ] - [ 0.0171108500000000, 0.0050178200000000, -0.0047747400000000 ] - [ -0.0000007400000000, 0.0010808600000000, 0.0003814300000000 ] - [ -0.0114145700000000, 0.0022340300000000, 0.0151281800000000 ] - [ -0.0000516100000000, 0.0011659700000000, 0.0000723700000000 ] - [ -0.0002187400000000, 0.0011289700000000, -0.0001615200000000 ] - [ 0.0002072000000000, -0.0036104000000000, 0.0003553400000000 ] - [ 0.0001035700000000, -0.0009764500000000, -0.0000647800000000 ] - [ 0.0000281300000000, -0.0001765500000000, 0.0001153900000000 ] - [ 0.0001197200000000, -0.0004823300000000, 0.0002188700000000 ] - [ -0.0092894000000000, -0.0424159400000000, -0.0004261700000000 ] - [ -0.0001496400000000, 0.0004084000000000, 0.0000583800000000 ] - [ -0.0008255800000000, 0.0009209100000000, -0.0009228200000000 ] - [ -0.0006943000000000, 0.0010316400000000, -0.0010031500000000 ] - [ 0.0005025000000000, -0.0003789100000000, -0.0000311800000000 ] - [ 0.0007037000000000, -0.0037211100000000, -0.0002452500000000 ] - [ 0.0000110500000000, -0.0005990300000000, -0.0007570800000000 ] - [ 0.0002501800000000, -0.0005738700000000, -0.0006710900000000 ] - [ -0.0143585500000000, 0.2146034400000000, 0.1186409200000000 ] - [ -0.0005318200000000, 0.0016082200000000, 0.0001689200000000 ] - [ -0.0003125600000000, -0.0007874100000000, 0.0003048700000000 ] - [ -0.0007782800000000, -0.0007862800000000, 0.0002303900000000 ] - [ 0.0002688400000000, 0.0003184000000000, 0.0010158200000000 ] - [ 0.0000664100000000, -0.0018504100000000, 0.0014941400000000 ] - [ 0.0001924200000000, -0.0006893400000000, -0.0011563000000000 ] - [ 0.0005147500000000, -0.0008659700000000, -0.0009435300000000 ] - [ 0.0000463500000000, 0.0007931100000000, -0.0001853500000000 ] - [ 0.0091695200000000, -0.0060688800000000, -0.0290922700000000 ] - [ 0.0000228900000000, -0.0004361500000000, 0.0006725000000000 ] - [ -0.0004587300000000, -0.0004443900000000, 0.0007332700000000 ] - [ 0.0003509700000000, -0.0013658400000000, -0.0001015600000000 ] - [ 0.0004211400000000, -0.0000346100000000, 0.0003294500000000 ] - [ 0.0004630900000000, 0.0001950500000000, -0.0005922600000000 ] - [ 0.0003393700000000, -0.0000042700000000, -0.0006469400000000 ] - [ -0.0000184200000000, 0.0006206700000000, 0.0009850400000000 ] - [ 0.0001196700000000, 0.0008333200000000, 0.0008115800000000 ] - [ -0.0010805700000000, 0.0056455700000000, -0.0050660800000000 ] - [ -0.0010244300000000, 0.0008926100000000, -0.0012241700000000 ] - [ 0.0011632400000000, -0.0025683400000000, 0.0001980600000000 ] - [ -0.0000752400000000, -0.0027481400000000, 0.0010222000000000 ] - [ -0.0009498500000000, -0.0006934800000000, -0.0006411600000000 ] - [ 0.0156667700000000, 0.0041477000000000, -0.0151845100000000 ] - [ 0.0009392200000000, 0.0002190700000000, 0.0023139100000000 ] - [ -0.0007889200000000, 0.0002832300000000, 0.0020406800000000 ] - [ 0.0001663000000000, 0.0010762800000000, -0.0013265600000000 ] - [ -0.0001863400000000, 0.0058188200000000, -0.0002999200000000 ] - [ -0.0007753700000000, -0.0009339900000000, 0.0004824500000000 ] - [ 0.0010024700000000, -0.0010397300000000, 0.0005913800000000 ] - [ 0.0006538700000000, -0.1235269600000000, -0.0753956600000000 ] - [ -0.0003907600000000, -0.0010420800000000, -0.0001574600000000 ] - [ -0.0000936400000000, -0.0003602800000000, 0.0007837600000000 ] - [ -0.0005196300000000, -0.0000041400000000, 0.0005399300000000 ] - [ 0.0006498300000000, 0.0052754900000000, 0.0007477700000000 ] - [ 0.0004704400000000, 0.0012164000000000, -0.0000680800000000 ] - [ -0.0001726000000000, -0.0007100500000000, -0.0002335100000000 ] - [ 0.0006732000000000, -0.0007086800000000, -0.0001250300000000 ] - [ 0.0004142900000000, -0.0012760600000000, -0.0000380500000000 ] - [ -0.0028080900000000, -0.0483229000000000, 0.0016030200000000 ] - [ -0.0002647700000000, -0.0015149300000000, -0.0005973300000000 ] - [ -0.0002852100000000, -0.0010775900000000, -0.0020416400000000 ] - [ -0.0001780500000000, 0.0001320700000000, 0.0003598400000000 ] - [ -0.0001288800000000, -0.0000597800000000, 0.0001027700000000 ] - [ -0.0007947400000000, 0.0014895000000000, -0.0004331800000000 ] - [ 0.0007782800000000, 0.0011435200000000, -0.0003187600000000 ] - [ 0.0001963100000000, -0.0002246200000000, 0.0002167400000000 ] - [ -0.0002973200000000, -0.0000932000000000, 0.0035853300000000 ] - [ -0.0024014200000000, 0.0010621200000000, 0.0013798500000000 ] - [ 0.0026392900000000, 0.0013616400000000, 0.0018391100000000 ] - [ -0.0000506900000000, -0.0021433700000000, 0.0024904200000000 ] - [ -0.0002131300000000, 0.0000749200000000, -0.0001108600000000 ] - [ 0.0045600900000000, 0.0026986900000000, 0.0014029600000000 ] - [ -0.0023376200000000, 0.0015707100000000, 0.0002354200000000 ] - [ 0.0000672200000000, 0.0012942900000000, 0.0003089200000000 ] - [ 0.0002781700000000, 0.0027673000000000, -0.0002119600000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000793300000000, 0.0007011000000000, 0.0009795500000000 ] - [ 0.0000925000000000, 0.0006717900000000, 0.0009340400000000 ] - [ 0.0002714200000000, -0.0046215400000000, 0.0009231100000000 ] - [ -0.0004803000000000, -0.0003264900000000, -0.0003421000000000 ] - [ 0.0009105800000000, -0.0005623500000000, 0.0010310100000000 ] - [ -0.0023188700000000, -0.0012214600000000, 0.0016625300000000 ] - [ -0.0004760100000000, 0.0002828900000000, -0.0005110200000000 ] - [ 0.0018618800000000, -0.0031589700000000, -0.0025725100000000 ] - [ -0.0006654200000000, 0.0000633700000000, 0.0003685400000000 ] - [ -0.0004836400000000, 0.0002031800000000, 0.0005303500000000 ] - [ -0.0007876300000000, -0.0016684500000000, -0.0016605900000000 ] - [ -0.0013604500000000, 0.0003871200000000, -0.0008020700000000 ] - [ 0.0019996100000000, -0.0011027800000000, 0.0024354800000000 ] - [ -0.0003036000000000, -0.0003473500000000, 0.0014735800000000 ] - [ -0.0001883000000000, 0.0001488300000000, -0.0013691100000000 ] - [ 0.0005162700000000, -0.0023897300000000, -0.0051849800000000 ] - [ 0.0011363900000000, 0.0010345200000000, 0.0008120600000000 ] - [ -0.0010369400000000, 0.0000787600000000, 0.0001447300000000 ] - [ -0.0001093800000000, 0.0006003500000000, -0.0001301400000000 ] - [ -0.0001375000000000, 0.0007530500000000, -0.0004972500000000 ] - [ 0.0000874800000000, -0.0002160800000000, 0.0013233400000000 ] - [ 0.0018621100000000, 0.0003488200000000, 0.0026853700000000 ] - [ -0.0136594000000000, 0.0189409500000000, 0.0187155900000000 ] - [ 0.0006873000000000, -0.0003880800000000, -0.0011528300000000 ] - [ 0.0002288300000000, 0.0000850000000000, 0.0009775300000000 ] - [ -0.0018458700000000, 0.0010325400000000, 0.0015190900000000 ] - [ -0.0004113600000000, 0.0009124600000000, -0.0014080700000000 ] - [ -0.0008477600000000, 0.0005173100000000, -0.0008282500000000 ] - [ -0.0008670800000000, 0.0003567700000000, 0.0021152600000000 ] - [ 0.0006479400000000, -0.0002586300000000, 0.0008673700000000 ] - [ -0.0008952000000000, -0.0001532500000000, -0.0004028000000000 ] - [ 0.0145595300000000, 0.0216443600000000, 0.0223942700000000 ] - [ -0.0007517800000000, -0.0000065100000000, 0.0008178300000000 ] - [ 0.0000479800000000, -0.0004173600000000, 0.0011425100000000 ] - [ -0.0001311300000000, 0.0004985900000000, -0.0007527100000000 ] - [ 0.0000495500000000, 0.0004736000000000, -0.0006893900000000 ] - [ 0.0004601000000000, -0.0000538600000000, 0.0009016300000000 ] - [ -0.0000291600000000, -0.0001081800000000, 0.0007024800000000 ] - [ 0.0002471200000000, -0.0005577200000000, -0.0017343600000000 ] - [ -0.0106796200000000, 0.0012664300000000, -0.0052681800000000 ] - [ -0.0002824000000000, -0.0005782100000000, -0.0002437600000000 ] - [ -0.0187134500000000, -0.0308846900000000, 0.0125328000000000 ] - [ 0.0003697400000000, -0.0009845200000000, 0.0003356400000000 ] - [ -0.0004555600000000, -0.0011120900000000, 0.0005980200000000 ] - [ 0.0002402800000000, -0.0007688900000000, -0.0009384400000000 ] - [ -0.0000296400000000, 0.0004010400000000, -0.0004531100000000 ] - [ 0.0000162900000000, -0.0001845300000000, 0.0007992500000000 ] - [ 0.0001480600000000, 0.0001020700000000, 0.0006898900000000 ] - [ 0.0058984200000000, 0.0073430400000000, -0.0150027000000000 ] - [ -0.0004866000000000, 0.0000547000000000, -0.0007558900000000 ] - [ 0.0005384900000000, -0.0010917600000000, 0.0018916600000000 ] - [ 0.0001381300000000, -0.0012594200000000, 0.0020399000000000 ] - [ 0.0002431000000000, -0.0002100400000000, -0.0006029500000000 ] - [ 0.0016004500000000, -0.0002113800000000, -0.0028240000000000 ] - [ 0.0010376900000000, 0.0007772800000000, 0.0014892300000000 ] - [ 0.0005921900000000, 0.0007728000000000, 0.0014194100000000 ] - [ 0.1100143000000000, -0.1126192000000000, -0.2847356800000000 ] - [ -0.0005861100000000, 0.0001889900000000, -0.0017241200000000 ] - [ -0.0002580800000000, -0.0005868000000000, 0.0019751600000000 ] - [ 0.0000562300000000, -0.0006607900000000, 0.0019752900000000 ] - [ 0.0006962100000000, 0.0013665500000000, -0.0003125700000000 ] - [ 0.0013105100000000, 0.0018431900000000, -0.0015480800000000 ] - [ 0.0011228400000000, -0.0015052200000000, 0.0011496300000000 ] - [ 0.0007900000000000, -0.0012936500000000, 0.0009379000000000 ] - [ -0.0009945400000000, -0.0002167200000000, -0.0009985600000000 ] - [ -0.0158362400000000, 0.0178955800000000, 0.0331403500000000 ] - [ -0.0000440500000000, -0.0004157700000000, 0.0005369300000000 ] - [ -0.0005409300000000, -0.0004543300000000, 0.0006616000000000 ] - [ 0.0000090200000000, 0.0018201800000000, 0.0000214500000000 ] - [ -0.0005300300000000, 0.0010597500000000, 0.0001455800000000 ] - [ -0.0007610600000000, -0.0015462000000000, 0.0012434300000000 ] - [ 0.0003079400000000, -0.0011948600000000, 0.0011937700000000 ] - [ -0.0002006600000000, -0.0008803900000000, -0.0013811500000000 ] - [ -0.0005025700000000, -0.0009259600000000, -0.0012098800000000 ] - [ -0.0007394400000000, 0.0050143600000000, 0.0050622400000000 ] - [ 0.0007673200000000, 0.0004514100000000, 0.0009258200000000 ] - [ -0.0022747600000000, 0.0011737400000000, -0.0025829100000000 ] - [ 0.0014537600000000, 0.0019259900000000, -0.0038495200000000 ] - [ 0.0011084900000000, 0.0007044500000000, 0.0018388400000000 ] - [ -0.0084186300000000, 0.0195558000000000, 0.0233268100000000 ] - [ -0.0017831900000000, -0.0003655700000000, -0.0019576700000000 ] - [ 0.0014451800000000, -0.0005206700000000, -0.0017682500000000 ] - [ 0.0000974400000000, -0.0000572500000000, 0.0008054300000000 ] - [ -0.0001864800000000, -0.0013384700000000, 0.0025621700000000 ] - [ 0.0014387900000000, 0.0004262900000000, -0.0041739800000000 ] - [ -0.0018138200000000, 0.0006503300000000, -0.0045570800000000 ] - [ -0.0058330900000000, 0.0596070900000000, 0.1041942400000000 ] - [ 0.0008888000000000, 0.0008254400000000, 0.0033239600000000 ] - [ 0.0003870400000000, 0.0012113700000000, -0.0025461100000000 ] - [ -0.0002250000000000, 0.0006445200000000, -0.0022888100000000 ] - [ -0.0009608400000000, -0.0014724300000000, 0.0021276700000000 ] - [ -0.0003376200000000, -0.0008792700000000, 0.0006433800000000 ] - [ -0.0006247200000000, 0.0011375500000000, -0.0014981900000000 ] - [ 0.0005306700000000, 0.0010686000000000, -0.0016561800000000 ] - [ 0.0009116800000000, 0.0008524600000000, 0.0013130700000000 ] - [ -0.0573045000000000, 0.0114859700000000, 0.0995488200000000 ] - [ 0.0019764400000000, 0.0022423700000000, 0.0004237500000000 ] - [ -0.0019953200000000, 0.0019255400000000, 0.0028770800000000 ] - [ -0.0001556800000000, -0.0006344400000000, -0.0009310300000000 ] - [ -0.0000884100000000, -0.0002895400000000, -0.0004509100000000 ] - [ -0.0001953000000000, -0.0001460400000000, 0.0007732900000000 ] - [ 0.0005696900000000, 0.0002404100000000, 0.0003589900000000 ] - [ 0.0001555800000000, -0.0002761600000000, -0.0002755100000000 ] - [ 0.0007741800000000, -0.0007903100000000, -0.0057305600000000 ] - [ 0.0033500500000000, -0.0042633600000000, -0.0004698700000000 ] - [ -0.0037929000000000, -0.0045446200000000, 0.0007120100000000 ] - [ 0.0000512000000000, 0.0031986800000000, -0.0077925900000000 ] - [ 0.0001086400000000, 0.0008430500000000, -0.0013471700000000 ] - [ -0.0051351500000000, -0.0040217300000000, 0.0012260700000000 ] - [ 0.0035517200000000, -0.0031657900000000, -0.0001335100000000 ] - [ 0.0001929100000000, 0.0001956800000000, 0.0002224200000000 ] - [ 0.0000764400000000, -0.0000982200000000, -0.0004530300000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001962700000000, -0.0007767200000000, -0.0009035300000000 ] - [ 0.0000249600000000, -0.0007491000000000, -0.0008600900000000 ] - [ -0.0001614000000000, 0.0047421900000000, -0.0010226900000000 ] - [ 0.0005997300000000, 0.0004016900000000, 0.0002670400000000 ] - [ -0.0010249000000000, 0.0004875500000000, -0.0011068500000000 ] - [ 0.0022062900000000, 0.0011527200000000, -0.0017506100000000 ] - [ 0.0003593300000000, -0.0002080200000000, 0.0005877500000000 ] - [ -0.0019609200000000, 0.0032234100000000, 0.0026354100000000 ] - [ -0.0004023800000000, -0.0001682700000000, -0.0007477100000000 ] - [ -0.0005842500000000, -0.0003087200000000, -0.0009096500000000 ] - [ -0.0002863200000000, 0.0017640500000000, 0.0020557400000000 ] - [ 0.0002985300000000, -0.0002850500000000, 0.0011860800000000 ] - [ -0.0009344600000000, 0.0009999000000000, -0.0020598100000000 ] - [ 0.0013726400000000, 0.0002447500000000, -0.0010985900000000 ] - [ 0.0012545500000000, -0.0000440400000000, 0.0009936700000000 ] - [ 0.0005613800000000, 0.0024828200000000, 0.0047873400000000 ] - [ -0.0020842500000000, -0.0011600300000000, -0.0016673100000000 ] - [ 0.0000902900000000, -0.0002062500000000, -0.0010039200000000 ] - [ -0.0008374100000000, -0.0004733100000000, 0.0009865900000000 ] - [ -0.0008112800000000, -0.0006277000000000, 0.0013514500000000 ] - [ 0.0008611800000000, 0.0000897100000000, -0.0004691700000000 ] - [ -0.0009171800000000, -0.0004770300000000, -0.0018354000000000 ] - [ 0.0150218200000000, -0.0191967500000000, -0.0199365000000000 ] - [ 0.0002585100000000, 0.0005173600000000, 0.0003007000000000 ] - [ -0.0008462500000000, -0.0002309500000000, -0.0004889400000000 ] - [ 0.0012270000000000, -0.0011799700000000, -0.0010320100000000 ] - [ -0.0002090000000000, -0.0007625400000000, 0.0009142100000000 ] - [ 0.0002336000000000, -0.0003744400000000, 0.0003412500000000 ] - [ 0.0014879000000000, -0.0005053000000000, -0.0026094700000000 ] - [ -0.0000311100000000, 0.0001130900000000, -0.0013595200000000 ] - [ 0.0015179200000000, 0.0003009900000000, 0.0008959700000000 ] - [ -0.0143360700000000, -0.0219459800000000, -0.0223194500000000 ] - [ 0.0001616000000000, 0.0002635900000000, -0.0010860400000000 ] - [ -0.0006420700000000, 0.0006748100000000, -0.0014127000000000 ] - [ -0.0004623200000000, -0.0007531800000000, 0.0010263500000000 ] - [ -0.0006436100000000, -0.0007339400000000, 0.0009611100000000 ] - [ 0.0001330800000000, 0.0003099400000000, -0.0006374100000000 ] - [ 0.0006219300000000, 0.0003649000000000, -0.0004372700000000 ] - [ 0.0003415300000000, 0.0003000700000000, 0.0014681800000000 ] - [ 0.0113700000000000, -0.0015828000000000, 0.0048304500000000 ] - [ 0.0001163500000000, 0.0004520700000000, 0.0006678200000000 ] - [ 0.0181923200000000, 0.0302982200000000, -0.0118806700000000 ] - [ -0.0005356900000000, 0.0011112600000000, -0.0007611700000000 ] - [ 0.0002890400000000, 0.0012437700000000, -0.0010235200000000 ] - [ -0.0000709700000000, 0.0006435400000000, 0.0005190400000000 ] - [ 0.0001968100000000, -0.0005333500000000, 0.0000311100000000 ] - [ 0.0001506400000000, 0.0003147700000000, -0.0003749700000000 ] - [ 0.0000180000000000, 0.0000253000000000, -0.0002667900000000 ] - [ -0.0065768100000000, -0.0072091300000000, 0.0151611700000000 ] - [ -0.0002652000000000, -0.0001708900000000, 0.0008502500000000 ] - [ -0.0012908400000000, 0.0012086300000000, -0.0019849300000000 ] - [ -0.0008921000000000, 0.0013797700000000, -0.0021365900000000 ] - [ 0.0005095100000000, 0.0000924900000000, 0.0005120900000000 ] - [ -0.0008489400000000, 0.0000832600000000, 0.0027331100000000 ] - [ -0.0002854400000000, -0.0006606900000000, -0.0013979700000000 ] - [ 0.0001582900000000, -0.0006581800000000, -0.0013301000000000 ] - [ -0.1056392500000000, 0.1192958000000000, 0.2829559000000000 ] - [ -0.0003988300000000, 0.0015618100000000, 0.0006874300000000 ] - [ -0.0007276500000000, -0.0011631400000000, -0.0009368400000000 ] - [ -0.0010445100000000, -0.0010872500000000, -0.0009369000000000 ] - [ 0.0002888700000000, 0.0003784800000000, 0.0013584900000000 ] - [ -0.0003262900000000, -0.0000960500000000, 0.0025929000000000 ] - [ -0.0001367200000000, -0.0002404100000000, -0.0021948100000000 ] - [ 0.0001942500000000, -0.0004531400000000, -0.0019835700000000 ] - [ 0.0005823300000000, 0.0009759100000000, 0.0003717500000000 ] - [ 0.0151193300000000, -0.0166436200000000, -0.0329161700000000 ] - [ -0.0003712300000000, -0.0003430400000000, 0.0000866600000000 ] - [ 0.0001261200000000, -0.0003047100000000, -0.0000377300000000 ] - [ 0.0004086900000000, -0.0010638100000000, 0.0006109900000000 ] - [ 0.0009472300000000, -0.0003044100000000, 0.0004820300000000 ] - [ 0.0011789200000000, 0.0007911800000000, -0.0018708700000000 ] - [ 0.0001065200000000, 0.0004398100000000, -0.0018228000000000 ] - [ -0.0001192300000000, 0.0002553700000000, 0.0020318400000000 ] - [ 0.0001833400000000, 0.0003030000000000, 0.0018622200000000 ] - [ 0.0004130800000000, -0.0043799300000000, -0.0057539900000000 ] - [ -0.0010934300000000, 0.0001764100000000, -0.0015820600000000 ] - [ 0.0025946000000000, -0.0017967400000000, 0.0019324000000000 ] - [ -0.0011354500000000, -0.0025634700000000, 0.0032111800000000 ] - [ -0.0007875100000000, -0.0000805100000000, -0.0011912600000000 ] - [ 0.0086201900000000, -0.0188685900000000, -0.0225260900000000 ] - [ 0.0017766000000000, -0.0000670200000000, 0.0035739200000000 ] - [ -0.0014510600000000, 0.0000911400000000, 0.0033885000000000 ] - [ -0.0001061700000000, 0.0004909400000000, -0.0024225400000000 ] - [ 0.0001827900000000, 0.0017703100000000, -0.0041622900000000 ] - [ -0.0014365700000000, -0.0008564100000000, 0.0025677000000000 ] - [ 0.0018251200000000, -0.0010831000000000, 0.0029529100000000 ] - [ 0.0062708900000000, -0.0644602200000000, -0.1066108900000000 ] - [ -0.0008854000000000, -0.0003985800000000, -0.0017225800000000 ] - [ -0.0007255300000000, -0.0013647100000000, 0.0026120200000000 ] - [ -0.0001084200000000, -0.0007953700000000, 0.0023547800000000 ] - [ 0.0006244500000000, 0.0016190100000000, -0.0022037100000000 ] - [ 0.0000036100000000, 0.0010348300000000, -0.0007094200000000 ] - [ 0.0009608800000000, -0.0012844800000000, 0.0014410100000000 ] - [ -0.0001935700000000, -0.0012186700000000, 0.0015979500000000 ] - [ -0.0005771700000000, -0.0007056100000000, -0.0012498400000000 ] - [ 0.0524161600000000, -0.0104716500000000, -0.0949634100000000 ] - [ -0.0022823000000000, -0.0018854600000000, -0.0003731800000000 ] - [ 0.0017001600000000, -0.0015658800000000, -0.0028380200000000 ] - [ -0.0001456800000000, 0.0002686500000000, 0.0008755800000000 ] - [ -0.0002121900000000, -0.0000779500000000, 0.0003957600000000 ] - [ 0.0004998500000000, 0.0005098400000000, -0.0008283300000000 ] - [ -0.0002691200000000, 0.0001260400000000, -0.0004150000000000 ] - [ 0.0001440400000000, -0.0000910700000000, 0.0003335500000000 ] - [ -0.0004631700000000, 0.0004319000000000, 0.0057421500000000 ] - [ -0.0035665700000000, 0.0030994600000000, 0.0011697100000000 ] - [ 0.0035935400000000, 0.0033833900000000, -0.0000143800000000 ] - [ -0.0002610300000000, -0.0020284700000000, 0.0071128000000000 ] - [ -0.0003183500000000, 0.0003355400000000, 0.0006464400000000 ] - [ 0.0053292500000000, 0.0028380600000000, -0.0019161500000000 ] - [ -0.0033464000000000, 0.0020015400000000, -0.0005585400000000 ] - [ 0.0000153600000000, 0.0009851200000000, 0.0004817600000000 ] - [ 0.0001328000000000, 0.0012756500000000, 0.0011585200000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000068300000000, -0.0000311300000000, 0.0001078600000000 ] - [ 0.0001104900000000, 0.0001398500000000, 0.0002632300000000 ] - [ 0.0009106200000000, 0.0000944200000000, 0.0002097200000000 ] - [ -0.0015676200000000, -0.0005776600000000, -0.0003075400000000 ] - [ 0.0022840700000000, 0.0016540700000000, -0.0026796900000000 ] - [ 0.0020583400000000, -0.0018765700000000, 0.0031687500000000 ] - [ -0.0008530200000000, 0.0017897800000000, -0.0002533100000000 ] - [ 0.0003213500000000, 0.0000970300000000, -0.0000821400000000 ] - [ -0.0009153700000000, -0.0001550900000000, -0.0000678300000000 ] - [ -0.0001300800000000, 0.0001221200000000, -0.0000826200000000 ] - [ 0.0017283800000000, -0.0012351500000000, 0.0009269100000000 ] - [ -0.0018083500000000, 0.0004355800000000, -0.0020648100000000 ] - [ 0.0017241100000000, 0.0002101000000000, -0.0007277200000000 ] - [ 0.0000089400000000, -0.0006655400000000, 0.0014411400000000 ] - [ 0.0003252400000000, 0.0010890800000000, 0.0000407200000000 ] - [ 0.0009696700000000, 0.0000521700000000, -0.0002514100000000 ] - [ 0.0001381800000000, -0.0002576700000000, -0.0007178800000000 ] - [ -0.0004359700000000, 0.0009343300000000, 0.0010887600000000 ] - [ -0.0019060300000000, -0.0006957000000000, 0.0006404600000000 ] - [ 0.0024359600000000, 0.0022498900000000, -0.0007765200000000 ] - [ 0.0000683400000000, 0.0000119900000000, 0.0003313400000000 ] - [ 0.0009576700000000, -0.0001464900000000, 0.0007778400000000 ] - [ 0.0020862800000000, 0.0008934900000000, -0.0002539100000000 ] - [ 0.0001030100000000, -0.0007216100000000, -0.0008349800000000 ] - [ 0.0000598100000000, -0.0008967300000000, -0.0005021700000000 ] - [ 0.0001699000000000, 0.0005262400000000, 0.0017237600000000 ] - [ 0.0013256100000000, -0.0005541000000000, -0.0000807000000000 ] - [ -0.0023983400000000, 0.0019194400000000, -0.0013328800000000 ] - [ 0.0003391400000000, 0.0000848400000000, -0.0002885900000000 ] - [ 0.0002105700000000, -0.0002390400000000, 0.0001323300000000 ] - [ -0.0024667700000000, -0.0000527400000000, -0.0008674800000000 ] - [ 0.0013079600000000, 0.0000117600000000, 0.0003139300000000 ] - [ -0.0012005000000000, 0.0002507700000000, 0.0004635700000000 ] - [ 0.0001788400000000, -0.0000243600000000, 0.0001807300000000 ] - [ 0.0000621700000000, -0.0000993200000000, 0.0001947500000000 ] - [ -0.0005406800000000, -0.0000039800000000, -0.0000408000000000 ] - [ 0.0007606100000000, 0.0004654900000000, -0.0000250000000000 ] - [ -0.0001528800000000, -0.0001741300000000, 0.0002939700000000 ] - [ 0.0142610900000000, 0.0128864000000000, 0.0276835700000000 ] - [ 0.0028346000000000, -0.0013995700000000, -0.0007705000000000 ] - [ -0.0055822900000000, 0.0085753400000000, 0.0040619500000000 ] - [ 0.0005744900000000, -0.0005281300000000, 0.0001154700000000 ] - [ 0.0001762200000000, 0.0012117900000000, -0.0006295000000000 ] - [ -0.0002185400000000, -0.0015373200000000, 0.0001058500000000 ] - [ 0.0005995400000000, -0.0006889000000000, -0.0000468600000000 ] - [ -0.0003760500000000, 0.0001641000000000, -0.0003147900000000 ] - [ -0.0001254300000000, -0.0001783800000000, 0.0003347900000000 ] - [ 0.0002874400000000, 0.0001569500000000, 0.0004076400000000 ] - [ 0.0003715400000000, 0.0002940600000000, -0.0005779600000000 ] - [ -0.0015958000000000, -0.0010307800000000, 0.0015083800000000 ] - [ -0.0006328000000000, 0.0007138600000000, -0.0009215700000000 ] - [ 0.0001968700000000, -0.0010461900000000, 0.0014364000000000 ] - [ -0.0012429900000000, -0.0003640600000000, -0.0002468600000000 ] - [ 0.0018004900000000, -0.0005652400000000, -0.0009215500000000 ] - [ 0.0003672100000000, -0.0002230300000000, -0.0002546900000000 ] - [ 0.0007840800000000, 0.0007502600000000, 0.0010392100000000 ] - [ 0.0012626400000000, 0.0006224900000000, -0.0013120000000000 ] - [ -0.0056019000000000, -0.0084410300000000, -0.0159202700000000 ] - [ -0.0005657600000000, -0.0006447200000000, 0.0003567400000000 ] - [ -0.0003629700000000, -0.0011261200000000, 0.0008549300000000 ] - [ -0.0000597000000000, 0.0010209600000000, 0.0003192400000000 ] - [ 0.0012981500000000, 0.0010897500000000, -0.0002235900000000 ] - [ 0.0004515200000000, -0.0010076500000000, -0.0006200800000000 ] - [ 0.0008897000000000, -0.0011304500000000, 0.0004543900000000 ] - [ -0.1285538000000000, -0.1087885900000000, -0.1043146600000000 ] - [ 0.0014809300000000, 0.0004259700000000, -0.0003958000000000 ] - [ -0.0002113900000000, -0.0001248600000000, 0.0001926100000000 ] - [ -0.0002137500000000, -0.0005019300000000, 0.0002890100000000 ] - [ 0.0004821400000000, 0.0003123700000000, 0.0003388500000000 ] - [ -0.0000824200000000, 0.0005832900000000, 0.0002800000000000 ] - [ -0.0000638400000000, -0.0005994200000000, -0.0000586800000000 ] - [ 0.0002681000000000, -0.0005172400000000, -0.0000507600000000 ] - [ 0.0003730300000000, -0.0000156600000000, 0.0002666300000000 ] - [ -0.0008644500000000, -0.0006798100000000, -0.0003204100000000 ] - [ -0.0031697700000000, 0.0009660800000000, -0.0009670700000000 ] - [ 0.0030743200000000, 0.0001899200000000, 0.0012725800000000 ] - [ -0.0010446300000000, -0.0030034300000000, 0.0024807300000000 ] - [ 0.0002604200000000, 0.0035239200000000, -0.0042743500000000 ] - [ 0.0015402100000000, -0.0043601700000000, -0.0023113700000000 ] - [ -0.0010087200000000, 0.0004933700000000, 0.0009112200000000 ] - [ -0.0008495600000000, 0.0001692500000000, 0.0015495100000000 ] - [ -0.0004272400000000, -0.0008569300000000, -0.0015659700000000 ] - [ 0.0036956600000000, 0.0003298600000000, 0.0004854200000000 ] - [ -0.0034651200000000, 0.0006007900000000, 0.0007222800000000 ] - [ 0.0004247600000000, -0.0007566700000000, -0.0003274500000000 ] - [ -0.0004369400000000, 0.0005572900000000, -0.0018765200000000 ] - [ -0.0024581700000000, -0.0000438800000000, 0.0014306400000000 ] - [ 0.0015520700000000, 0.0044668100000000, 0.0026198400000000 ] - [ 0.0008578500000000, 0.0003558400000000, -0.0004264300000000 ] - [ -0.0009876000000000, 0.0000640900000000, -0.0008584300000000 ] - [ -0.0010135100000000, 0.0004506800000000, 0.0003194100000000 ] - [ 0.0003767400000000, -0.0002661400000000, 0.0000506100000000 ] - [ -0.0002635900000000, -0.0010735500000000, 0.0005195700000000 ] - [ 0.0005493400000000, 0.0011771200000000, -0.0005645100000000 ] - [ 0.1153598200000000, 0.0893633600000000, 0.0996214000000000 ] - [ -0.0038472200000000, 0.0009849700000000, 0.0001697900000000 ] - [ -0.0004543600000000, 0.0012733900000000, -0.0037585400000000 ] - [ -0.0005701100000000, 0.0003700700000000, 0.0005342900000000 ] - [ -0.0004191500000000, -0.0002590000000000, -0.0000513600000000 ] - [ 0.0001142900000000, -0.0001807900000000, -0.0001404700000000 ] - [ -0.0001610400000000, -0.0000264800000000, 0.0000240600000000 ] - [ 0.0004122500000000, -0.0002969200000000, 0.0000959200000000 ] - [ 0.0025058500000000, -0.0002153700000000, -0.0071171100000000 ] - [ -0.0010472100000000, -0.0001209200000000, -0.0001862200000000 ] - [ 0.0001149900000000, -0.0013241900000000, -0.0002670800000000 ] - [ -0.0003499600000000, -0.0006555600000000, 0.0002542600000000 ] - [ -0.0009265600000000, 0.0006261100000000, -0.0006778000000000 ] - [ 0.0007109500000000, 0.0005383400000000, -0.0010413200000000 ] - [ -0.0054177600000000, 0.0040546000000000, 0.0012934800000000 ] - [ 0.0077864500000000, 0.0004610500000000, -0.0008312200000000 ] - [ 0.0012675100000000, -0.0000149900000000, 0.0004881300000000 ] - [ -0.0009539700000000, 0.0001441700000000, 0.0001931700000000 ]- atom: 65 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001257200000000, -0.0000437800000000, -0.0000287600000000 ] - [ 0.0000067500000000, -0.0002135100000000, -0.0001828000000000 ] - [ -0.0007908000000000, -0.0000186100000000, -0.0002884100000000 ] - [ 0.0016808600000000, 0.0006481000000000, 0.0002321600000000 ] - [ -0.0024173600000000, -0.0017401800000000, 0.0026198700000000 ] - [ -0.0021508200000000, 0.0017782300000000, -0.0032100900000000 ] - [ 0.0007253400000000, -0.0016854200000000, 0.0003226100000000 ] - [ -0.0004382900000000, -0.0000189000000000, 0.0001568700000000 ] - [ -0.0001557800000000, 0.0000501600000000, -0.0003077100000000 ] - [ -0.0009382800000000, -0.0002257500000000, -0.0002917600000000 ] - [ -0.0027929700000000, 0.0013398000000000, -0.0005512700000000 ] - [ 0.0007234700000000, -0.0003324200000000, 0.0024286100000000 ] - [ -0.0006522900000000, -0.0003191400000000, 0.0011059300000000 ] - [ 0.0010477500000000, 0.0005558800000000, -0.0010524600000000 ] - [ 0.0007648300000000, -0.0009567300000000, -0.0003966300000000 ] - [ 0.0000971900000000, 0.0000527900000000, -0.0001281500000000 ] - [ -0.0010812300000000, 0.0001324100000000, -0.0001350700000000 ] - [ -0.0005088500000000, -0.0010460300000000, -0.0019266700000000 ] - [ 0.0009562900000000, 0.0008217300000000, 0.0002124100000000 ] - [ -0.0033570900000000, -0.0020954600000000, 0.0016196600000000 ] - [ 0.0008799300000000, -0.0001381700000000, 0.0005271300000000 ] - [ -0.0000105800000000, 0.0000190200000000, 0.0000804600000000 ] - [ -0.0011354800000000, -0.0007702500000000, -0.0006047700000000 ] - [ 0.0008218500000000, 0.0008610100000000, 0.0000065500000000 ] - [ -0.0006794200000000, 0.0007505600000000, 0.0009946100000000 ] - [ -0.0007890600000000, -0.0006671700000000, -0.0012177400000000 ] - [ -0.0019380800000000, 0.0007019800000000, -0.0004104800000000 ] - [ 0.0017614400000000, -0.0017613900000000, 0.0008326000000000 ] - [ 0.0002834300000000, -0.0002315000000000, -0.0001996900000000 ] - [ 0.0004058500000000, 0.0000926400000000, -0.0006162800000000 ] - [ 0.0031039600000000, 0.0002071700000000, 0.0013803900000000 ] - [ -0.0006881500000000, 0.0001325700000000, 0.0001743600000000 ] - [ 0.0006056300000000, 0.0000059200000000, -0.0007176300000000 ] - [ -0.0007717200000000, 0.0002804700000000, -0.0004385500000000 ] - [ -0.0006480700000000, -0.0001542200000000, 0.0000701500000000 ] - [ -0.0000553800000000, -0.0002507100000000, 0.0003042900000000 ] - [ -0.0001632300000000, -0.0002071900000000, 0.0002875200000000 ] - [ 0.0007419200000000, 0.0004305100000000, -0.0000306800000000 ] - [ -0.0139551700000000, -0.0132954200000000, -0.0285259400000000 ] - [ -0.0022301500000000, 0.0011297300000000, 0.0004965900000000 ] - [ 0.0055000700000000, -0.0085521400000000, -0.0035704500000000 ] - [ -0.0007376900000000, 0.0003900800000000, 0.0003089200000000 ] - [ -0.0003387500000000, -0.0010862900000000, 0.0002015800000000 ] - [ 0.0000495100000000, 0.0016553200000000, -0.0005309900000000 ] - [ -0.0004318400000000, 0.0005623700000000, -0.0003801700000000 ] - [ 0.0005370200000000, -0.0002927000000000, -0.0001087300000000 ] - [ 0.0002907200000000, 0.0003074100000000, 0.0000921500000000 ] - [ -0.0001219400000000, -0.0000275900000000, 0.0000197800000000 ] - [ -0.0011196900000000, -0.0004114300000000, 0.0006677600000000 ] - [ 0.0008457000000000, 0.0009426700000000, -0.0014067500000000 ] - [ -0.0001147800000000, -0.0006011700000000, 0.0008327300000000 ] - [ -0.0009471200000000, 0.0011522200000000, -0.0015161100000000 ] - [ 0.0019862500000000, 0.0002347100000000, 0.0001611400000000 ] - [ -0.0010434200000000, 0.0004472500000000, 0.0008217400000000 ] - [ 0.0003850800000000, 0.0003405000000000, 0.0003499600000000 ] - [ -0.0000302300000000, -0.0006265000000000, -0.0009352700000000 ] - [ -0.0022385400000000, 0.0011219300000000, 0.0002641000000000 ] - [ 0.0045815800000000, 0.0103348900000000, 0.0150312400000000 ] - [ -0.0004158100000000, -0.0011046900000000, 0.0006849200000000 ] - [ -0.0006218000000000, -0.0006238000000000, 0.0001885800000000 ] - [ 0.0010397100000000, 0.0007300100000000, 0.0007194700000000 ] - [ -0.0003077700000000, 0.0006656300000000, 0.0012546400000000 ] - [ 0.0005337200000000, -0.0007428600000000, -0.0004192600000000 ] - [ 0.0000952400000000, -0.0006229700000000, -0.0014859100000000 ] - [ 0.1271491500000000, 0.1111591000000000, 0.1061361700000000 ] - [ -0.0018903600000000, 0.0003252800000000, -0.0002344300000000 ] - [ -0.0002012800000000, -0.0006302400000000, 0.0004327700000000 ] - [ -0.0002036000000000, -0.0002533600000000, 0.0003377900000000 ] - [ -0.0000670100000000, 0.0004459900000000, 0.0002892200000000 ] - [ 0.0004949100000000, 0.0001759500000000, 0.0003505500000000 ] - [ 0.0004794700000000, -0.0001583300000000, -0.0005633100000000 ] - [ 0.0001437500000000, -0.0002420100000000, -0.0005732500000000 ] - [ -0.0006931800000000, -0.0006110600000000, 0.0003783900000000 ] - [ 0.0005414300000000, 0.0000487900000000, 0.0009606200000000 ] - [ 0.0028405500000000, -0.0003393500000000, 0.0003244000000000 ] - [ -0.0033679000000000, 0.0004431000000000, -0.0019265100000000 ] - [ 0.0013553100000000, 0.0023872500000000, -0.0031286500000000 ] - [ 0.0000748800000000, -0.0041129600000000, 0.0035935100000000 ] - [ -0.0012013200000000, 0.0048777900000000, 0.0029166900000000 ] - [ 0.0013285100000000, 0.0001385500000000, -0.0002553300000000 ] - [ 0.0008379400000000, -0.0006011700000000, 0.0000584600000000 ] - [ 0.0004218000000000, 0.0004213000000000, 0.0031537800000000 ] - [ -0.0036891000000000, 0.0001141900000000, -0.0020785200000000 ] - [ 0.0034341100000000, -0.0001718900000000, -0.0023167200000000 ] - [ -0.0004226200000000, 0.0003270600000000, -0.0012878300000000 ] - [ 0.0004453500000000, -0.0009829900000000, 0.0002544500000000 ] - [ 0.0024589100000000, 0.0004815600000000, 0.0001897800000000 ] - [ -0.0015498300000000, -0.0041321200000000, -0.0011035800000000 ] - [ -0.0011926900000000, -0.0005041400000000, 0.0004831600000000 ] - [ 0.0006503300000000, -0.0002112300000000, 0.0009092600000000 ] - [ 0.0006668200000000, -0.0003050200000000, -0.0003779500000000 ] - [ -0.0007078600000000, 0.0004123100000000, -0.0001147900000000 ] - [ 0.0005921200000000, 0.0009225600000000, -0.0005778200000000 ] - [ -0.0002074100000000, -0.0013240400000000, 0.0005019600000000 ] - [ -0.1144404000000000, -0.0911430100000000, -0.1015003300000000 ] - [ 0.0041651600000000, -0.0008193200000000, -0.0001043500000000 ] - [ 0.0001467100000000, -0.0009130200000000, 0.0038410200000000 ] - [ 0.0002751700000000, 0.0000048600000000, -0.0004741100000000 ] - [ 0.0001156700000000, -0.0001119800000000, -0.0000055400000000 ] - [ -0.0004139900000000, -0.0001905000000000, 0.0000819200000000 ] - [ 0.0004548300000000, 0.0003886900000000, -0.0000792000000000 ] - [ -0.0001034300000000, 0.0006573800000000, -0.0001501200000000 ] - [ -0.0021045300000000, -0.0001522700000000, 0.0070833300000000 ] - [ 0.0013416900000000, -0.0002479900000000, 0.0002389200000000 ] - [ -0.0003330100000000, 0.0001388400000000, 0.0009594000000000 ] - [ 0.0001493300000000, -0.0005302700000000, 0.0004442900000000 ] - [ 0.0007137600000000, 0.0005558900000000, -0.0000262700000000 ] - [ -0.0009166500000000, 0.0006453000000000, 0.0003258100000000 ] - [ 0.0056306000000000, -0.0052456000000000, -0.0019921600000000 ] - [ -0.0070643700000000, -0.0013577300000000, 0.0000632700000000 ] - [ -0.0010535100000000, 0.0011808700000000, 0.0002200200000000 ] - [ 0.0011565700000000, 0.0010274100000000, 0.0005055600000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000065000000000, 0.0004523000000000, 0.0005151900000000 ] - [ 0.0000450800000000, 0.0003962200000000, 0.0004392600000000 ] - [ 0.0002149900000000, -0.0000759700000000, -0.0000460000000000 ] - [ -0.0005333300000000, -0.0013268000000000, -0.0005221600000000 ] - [ -0.0005933400000000, -0.0013643100000000, -0.0004938000000000 ] - [ -0.0001230300000000, -0.0016175500000000, 0.0004198900000000 ] - [ -0.0016917500000000, 0.0056662700000000, -0.0009887200000000 ] - [ 0.0000197600000000, 0.0002430900000000, -0.0002268300000000 ] - [ -0.0005532900000000, 0.0002275600000000, 0.0001063700000000 ] - [ -0.0002725500000000, 0.0001924500000000, -0.0000033500000000 ] - [ 0.0001336800000000, -0.0004906700000000, -0.0000224600000000 ] - [ -0.0005608300000000, -0.0005076400000000, -0.0013899200000000 ] - [ 0.0007175300000000, -0.0003230700000000, 0.0002894500000000 ] - [ 0.0008314200000000, -0.0012743100000000, 0.0003901300000000 ] - [ 0.0036655100000000, 0.0045817400000000, 0.0033196000000000 ] - [ 0.0002730600000000, 0.0001445100000000, -0.0003616500000000 ] - [ -0.0011332300000000, -0.0000965500000000, -0.0002870400000000 ] - [ 0.0015729500000000, 0.0016777900000000, 0.0015533700000000 ] - [ -0.0014375200000000, 0.0018363100000000, -0.0002877900000000 ] - [ 0.0009033900000000, 0.0014928400000000, -0.0002800100000000 ] - [ 0.0005613200000000, -0.0000567400000000, 0.0007584400000000 ] - [ 0.0004532200000000, -0.0001144000000000, 0.0005751900000000 ] - [ 0.0012450200000000, 0.0001090100000000, -0.0003763500000000 ] - [ -0.0016748300000000, 0.0006236000000000, 0.0017552500000000 ] - [ -0.0023996300000000, 0.0011781300000000, 0.0014605400000000 ] - [ 0.0006552000000000, 0.0001595300000000, 0.0011603700000000 ] - [ 0.0000593700000000, 0.0002781600000000, -0.0004353400000000 ] - [ -0.0006381000000000, 0.0038276600000000, -0.0017258100000000 ] - [ 0.0004356400000000, -0.0001541900000000, 0.0000325300000000 ] - [ 0.0001436700000000, -0.0000689300000000, 0.0001050700000000 ] - [ 0.0013704300000000, 0.0010775600000000, 0.0029987300000000 ] - [ 0.0005515000000000, -0.0000759100000000, 0.0002612700000000 ] - [ -0.0004673600000000, -0.0003246900000000, 0.0002242600000000 ] - [ -0.0001088400000000, -0.0000823700000000, 0.0001911900000000 ] - [ 0.0002149600000000, 0.0003101000000000, 0.0002588300000000 ] - [ -0.0001380800000000, 0.0005227400000000, 0.0000609300000000 ] - [ 0.0006178600000000, 0.0003488400000000, 0.0000238500000000 ] - [ 0.0002502900000000, 0.0005255300000000, -0.0000883400000000 ] - [ 0.0016849400000000, -0.0082904500000000, 0.0031679500000000 ] - [ 0.0009957400000000, -0.0013412400000000, -0.0007740300000000 ] - [ 0.0083773500000000, 0.0394716400000000, 0.0176567400000000 ] - [ 0.0000352700000000, -0.0006785100000000, 0.0000958000000000 ] - [ 0.0002253600000000, -0.0002680800000000, -0.0006371200000000 ] - [ -0.0003880400000000, -0.0003457900000000, -0.0008655600000000 ] - [ 0.0003154900000000, 0.0000675200000000, -0.0001768600000000 ] - [ 0.0003175100000000, 0.0007299900000000, -0.0007402800000000 ] - [ 0.0000497500000000, 0.0001387300000000, 0.0004572100000000 ] - [ 0.0002360300000000, 0.0000738400000000, 0.0004699400000000 ] - [ -0.0000797000000000, -0.0000639100000000, -0.0002120500000000 ] - [ -0.0018905100000000, 0.0015121800000000, 0.0034876900000000 ] - [ -0.0002833000000000, -0.0003360600000000, 0.0001244200000000 ] - [ -0.0002297400000000, -0.0003956300000000, 0.0002836300000000 ] - [ 0.0006667400000000, 0.0008920900000000, -0.0033250900000000 ] - [ 0.0009408800000000, -0.0002689200000000, -0.0005905700000000 ] - [ 0.0003496600000000, 0.0006585000000000, 0.0010153900000000 ] - [ 0.0011634600000000, 0.0009518000000000, 0.0013890600000000 ] - [ 0.0001384800000000, 0.0004632000000000, -0.0011162500000000 ] - [ -0.0014404800000000, 0.0073830300000000, 0.0167037100000000 ] - [ -0.0003913200000000, -0.0008133500000000, 0.0004850700000000 ] - [ -0.0006462800000000, -0.0008050600000000, 0.0004468100000000 ] - [ 0.0005578600000000, 0.0026172800000000, -0.0009277800000000 ] - [ 0.0009765400000000, 0.0012861800000000, -0.0001636000000000 ] - [ 0.0004213400000000, -0.0012487600000000, 0.0002993600000000 ] - [ 0.0011343000000000, -0.0014473900000000, 0.0006512300000000 ] - [ -0.1079399000000000, -0.2254593900000000, -0.1840865100000000 ] - [ -0.0001550500000000, -0.0002327000000000, -0.0006598100000000 ] - [ -0.0000851000000000, 0.0000476500000000, -0.0000967800000000 ] - [ -0.0004585100000000, 0.0000472800000000, 0.0001816700000000 ] - [ 0.0002731200000000, 0.0005506200000000, 0.0003475700000000 ] - [ 0.0000026200000000, 0.0011473000000000, 0.0002617900000000 ] - [ -0.0000143000000000, -0.0007985400000000, 0.0002896600000000 ] - [ 0.0000691700000000, -0.0008010700000000, 0.0001583500000000 ] - [ -0.0002636300000000, -0.0009015000000000, -0.0005193100000000 ] - [ -0.0007475600000000, -0.0009025600000000, -0.0005823100000000 ] - [ -0.0009758000000000, 0.0004692700000000, -0.0001129000000000 ] - [ -0.0008353400000000, 0.0020522700000000, 0.0032853800000000 ] - [ -0.0002968100000000, 0.0009055600000000, -0.0000719600000000 ] - [ 0.0006569400000000, 0.0017987300000000, 0.0003138500000000 ] - [ 0.0027711400000000, -0.0180543900000000, -0.0087845400000000 ] - [ 0.0001844600000000, 0.0004687900000000, 0.0009928400000000 ] - [ 0.0017713800000000, -0.0001445200000000, -0.0010949100000000 ] - [ -0.0023573600000000, -0.0003208400000000, -0.0020389400000000 ] - [ 0.0018251000000000, -0.0051058800000000, 0.0031898100000000 ] - [ -0.0014741400000000, 0.0000382900000000, 0.0005687000000000 ] - [ -0.0002388300000000, 0.0000354800000000, -0.0011541800000000 ] - [ 0.0001781400000000, 0.0000937100000000, -0.0012033500000000 ] - [ -0.0010208000000000, 0.0006154900000000, 0.0012922500000000 ] - [ 0.0016447400000000, -0.0054149300000000, -0.0069117600000000 ] - [ 0.0002865800000000, 0.0003341200000000, -0.0013309200000000 ] - [ -0.0006477800000000, 0.0004416800000000, -0.0010603900000000 ] - [ -0.0009432600000000, -0.0003184000000000, 0.0001330900000000 ] - [ -0.0006105300000000, -0.0017513500000000, 0.0004308600000000 ] - [ -0.0004240700000000, -0.0005536700000000, 0.0004789100000000 ] - [ 0.0006953500000000, -0.0008534500000000, 0.0004704800000000 ] - [ 0.0901721400000000, 0.1945536400000000, 0.1535307100000000 ] - [ -0.0008303000000000, 0.0013632400000000, 0.0006416000000000 ] - [ -0.0007078900000000, 0.0011423100000000, -0.0009912400000000 ] - [ 0.0000606700000000, 0.0008692700000000, 0.0001574100000000 ] - [ -0.0002320500000000, -0.0003600700000000, -0.0001095800000000 ] - [ -0.0001062000000000, -0.0004480400000000, -0.0001278300000000 ] - [ -0.0004878500000000, -0.0010471300000000, 0.0002784700000000 ] - [ 0.0006449500000000, -0.0010253400000000, -0.0000042100000000 ] - [ 0.0007814600000000, 0.0003786100000000, -0.0005873800000000 ] - [ -0.0000622300000000, 0.0001368300000000, -0.0000837000000000 ] - [ -0.0008476200000000, -0.0017547800000000, -0.0012070300000000 ] - [ 0.0004828600000000, -0.0013915400000000, -0.0001206200000000 ] - [ -0.0003016000000000, 0.0009216400000000, -0.0007685500000000 ] - [ 0.0000470600000000, 0.0014465000000000, -0.0018123300000000 ] - [ 0.0029664600000000, 0.0007652000000000, 0.0011543100000000 ] - [ 0.0016022400000000, 0.0023868600000000, -0.0000010500000000 ] - [ 0.0003047100000000, -0.0029293200000000, 0.0004304700000000 ] - [ -0.0002107700000000, -0.0003016300000000, 0.0003649600000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001137700000000, -0.0005304500000000, -0.0004391200000000 ] - [ 0.0000769800000000, -0.0004735900000000, -0.0003630500000000 ] - [ -0.0000901700000000, 0.0001524400000000, -0.0000287800000000 ] - [ 0.0006458400000000, 0.0013947400000000, 0.0004442000000000 ] - [ 0.0004884900000000, 0.0013011800000000, 0.0004078000000000 ] - [ -0.0000034000000000, 0.0015384700000000, -0.0005007400000000 ] - [ 0.0015933700000000, -0.0056406900000000, 0.0010682200000000 ] - [ -0.0001413500000000, -0.0001620600000000, 0.0003011700000000 ] - [ -0.0005240100000000, -0.0003352800000000, -0.0004773600000000 ] - [ -0.0008004300000000, -0.0002987300000000, -0.0003704900000000 ] - [ -0.0011936300000000, 0.0005866400000000, 0.0003996300000000 ] - [ -0.0005143900000000, 0.0006094700000000, 0.0017613300000000 ] - [ 0.0003601100000000, 0.0002204900000000, 0.0000810100000000 ] - [ 0.0002349000000000, 0.0011731300000000, -0.0000145600000000 ] - [ -0.0026344700000000, -0.0045159400000000, -0.0037483500000000 ] - [ 0.0008044700000000, -0.0000351900000000, -0.0000136200000000 ] - [ 0.0001858200000000, -0.0000311400000000, -0.0005698200000000 ] - [ -0.0025130000000000, -0.0017952500000000, -0.0023992900000000 ] - [ 0.0004796300000000, -0.0017041600000000, 0.0011380800000000 ] - [ -0.0018471300000000, -0.0013645600000000, 0.0011355200000000 ] - [ 0.0003854700000000, -0.0000662500000000, 0.0000988500000000 ] - [ 0.0004949500000000, -0.0000096000000000, 0.0002824800000000 ] - [ -0.0002879700000000, 0.0000256400000000, -0.0004793800000000 ] - [ 0.0026214900000000, -0.0004905800000000, -0.0026122100000000 ] - [ 0.0017763500000000, -0.0013293300000000, -0.0009685000000000 ] - [ -0.0012720600000000, -0.0003057600000000, -0.0006684500000000 ] - [ -0.0006777800000000, -0.0001348600000000, -0.0000544700000000 ] - [ 0.0000259700000000, -0.0036558100000000, 0.0012250500000000 ] - [ 0.0001840200000000, 0.0000115900000000, -0.0005208800000000 ] - [ 0.0004758600000000, -0.0000744200000000, -0.0005924500000000 ] - [ -0.0007641700000000, -0.0009135100000000, -0.0025081500000000 ] - [ 0.0000732500000000, 0.0002234700000000, 0.0002280300000000 ] - [ -0.0001329900000000, 0.0005796100000000, -0.0004726500000000 ] - [ -0.0004858600000000, 0.0003387200000000, -0.0004500800000000 ] - [ -0.0008139800000000, -0.0005695200000000, -0.0000013600000000 ] - [ -0.0004564500000000, -0.0007803900000000, 0.0001956300000000 ] - [ -0.0000223300000000, -0.0000894900000000, 0.0002387800000000 ] - [ 0.0003488000000000, -0.0002661800000000, 0.0003529100000000 ] - [ -0.0009595200000000, 0.0082137400000000, -0.0033175000000000 ] - [ -0.0003974900000000, 0.0010794700000000, 0.0005105600000000 ] - [ -0.0088090500000000, -0.0405297200000000, -0.0175418400000000 ] - [ -0.0002001300000000, 0.0005533000000000, 0.0003312900000000 ] - [ -0.0003934300000000, 0.0004078100000000, 0.0002118500000000 ] - [ 0.0002226500000000, 0.0004829300000000, 0.0004407700000000 ] - [ -0.0001471900000000, -0.0002041400000000, -0.0002494300000000 ] - [ -0.0001493800000000, -0.0008650200000000, 0.0003098500000000 ] - [ 0.0001162600000000, -0.0000147800000000, -0.0000278600000000 ] - [ -0.0000688500000000, 0.0000526400000000, -0.0000419200000000 ] - [ -0.0006652800000000, -0.0000473100000000, 0.0003003500000000 ] - [ 0.0011712100000000, -0.0016080000000000, -0.0034523400000000 ] - [ -0.0004664700000000, 0.0004592300000000, -0.0002203300000000 ] - [ -0.0005215200000000, 0.0005160200000000, -0.0003772500000000 ] - [ 0.0000809000000000, -0.0010164000000000, 0.0031972400000000 ] - [ -0.0001847000000000, 0.0001476600000000, 0.0004915600000000 ] - [ 0.0003986900000000, -0.0005427700000000, -0.0009206800000000 ] - [ -0.0004116500000000, -0.0008331300000000, -0.0012910100000000 ] - [ -0.0011144600000000, 0.0012887100000000, 0.0000754000000000 ] - [ 0.0004553600000000, -0.0055192300000000, -0.0178326800000000 ] - [ -0.0005913300000000, -0.0009325200000000, 0.0005584600000000 ] - [ -0.0003348200000000, -0.0009407400000000, 0.0005969000000000 ] - [ 0.0004269400000000, -0.0008679700000000, 0.0019568000000000 ] - [ 0.0000068400000000, 0.0004632800000000, 0.0012015300000000 ] - [ 0.0005616700000000, -0.0005046300000000, -0.0013359700000000 ] - [ -0.0001495800000000, -0.0003061200000000, -0.0016865300000000 ] - [ 0.1120684700000000, 0.2315163100000000, 0.1917501900000000 ] - [ -0.0002584200000000, 0.0009833800000000, 0.0000265400000000 ] - [ -0.0003363200000000, -0.0007977400000000, 0.0007348400000000 ] - [ 0.0000445100000000, -0.0007982000000000, 0.0004542000000000 ] - [ 0.0001420900000000, 0.0002027700000000, 0.0002843000000000 ] - [ 0.0004125600000000, -0.0003927400000000, 0.0003666900000000 ] - [ 0.0004291300000000, 0.0000424800000000, -0.0009169200000000 ] - [ 0.0003469500000000, 0.0000473300000000, -0.0007896200000000 ] - [ -0.0000515100000000, 0.0002828500000000, 0.0011657100000000 ] - [ 0.0004262100000000, 0.0002799900000000, 0.0012293900000000 ] - [ 0.0006405800000000, 0.0001629900000000, -0.0005415100000000 ] - [ 0.0005165300000000, -0.0014073200000000, -0.0039241700000000 ] - [ 0.0006135200000000, -0.0015535200000000, -0.0005688900000000 ] - [ -0.0003320900000000, -0.0024363900000000, -0.0009611700000000 ] - [ -0.0024920600000000, 0.0187773500000000, 0.0095428900000000 ] - [ 0.0001292400000000, 0.0001481900000000, -0.0003403500000000 ] - [ -0.0017761100000000, -0.0002820800000000, 0.0027053500000000 ] - [ 0.0023450700000000, -0.0001080800000000, 0.0036415100000000 ] - [ -0.0018218200000000, 0.0055277400000000, -0.0047577700000000 ] - [ 0.0014600600000000, 0.0003972100000000, -0.0021724300000000 ] - [ 0.0002457700000000, -0.0004745800000000, -0.0004587200000000 ] - [ -0.0001726300000000, -0.0005301700000000, -0.0004106500000000 ] - [ 0.0010133700000000, -0.0001916100000000, 0.0003238900000000 ] - [ -0.0016268300000000, 0.0057877600000000, 0.0085233700000000 ] - [ -0.0006188100000000, -0.0004783900000000, 0.0013880600000000 ] - [ 0.0003092100000000, -0.0005891600000000, 0.0011206500000000 ] - [ 0.0006104200000000, 0.0004758600000000, -0.0001916300000000 ] - [ 0.0002722200000000, 0.0019059900000000, -0.0004819000000000 ] - [ 0.0007640300000000, 0.0003935500000000, -0.0005478000000000 ] - [ -0.0003659200000000, 0.0006948600000000, -0.0005381800000000 ] - [ -0.0944035600000000, -0.1991856900000000, -0.1613480200000000 ] - [ 0.0011570800000000, -0.0012098500000000, -0.0005720600000000 ] - [ 0.0004019500000000, -0.0007653900000000, 0.0010271200000000 ] - [ -0.0003618900000000, -0.0004986300000000, -0.0001007800000000 ] - [ -0.0000706600000000, -0.0000093200000000, 0.0000527100000000 ] - [ -0.0001951500000000, 0.0000780900000000, 0.0000709900000000 ] - [ 0.0007990400000000, 0.0014179600000000, -0.0003352400000000 ] - [ -0.0003522500000000, 0.0013914600000000, -0.0000497200000000 ] - [ -0.0004265700000000, -0.0007468900000000, 0.0005094900000000 ] - [ 0.0003625800000000, -0.0005024400000000, 0.0001402500000000 ] - [ 0.0006419900000000, 0.0005659500000000, 0.0019173000000000 ] - [ -0.0006938400000000, 0.0002072500000000, 0.0008246700000000 ] - [ 0.0000894600000000, 0.0002584400000000, 0.0000638900000000 ] - [ -0.0002526400000000, -0.0002667600000000, 0.0011079700000000 ] - [ -0.0027683600000000, -0.0019047500000000, -0.0018403800000000 ] - [ -0.0012590900000000, -0.0035230000000000, -0.0007095300000000 ] - [ -0.0000921500000000, 0.0041095000000000, 0.0002567700000000 ] - [ 0.0004169500000000, 0.0014822400000000, 0.0003366100000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000254300000000, 0.0004374700000000, 0.0008637000000000 ] - [ 0.0000070700000000, 0.0004015900000000, 0.0008387800000000 ] - [ 0.0003447100000000, 0.0000970300000000, 0.0004653000000000 ] - [ -0.0004499700000000, -0.0006192200000000, 0.0012472500000000 ] - [ -0.0058471200000000, -0.0029319000000000, -0.0001195400000000 ] - [ 0.0024769400000000, -0.0003045800000000, -0.0002925800000000 ] - [ -0.0003651600000000, 0.0016394000000000, -0.0015004200000000 ] - [ -0.0000995200000000, 0.0002996400000000, -0.0005531700000000 ] - [ -0.0005523500000000, 0.0002160400000000, 0.0003571900000000 ] - [ -0.0003031800000000, 0.0001229800000000, 0.0001246400000000 ] - [ 0.0007507400000000, -0.0007286100000000, 0.0003819900000000 ] - [ -0.0014648800000000, -0.0006443000000000, 0.0003070700000000 ] - [ -0.0003869800000000, -0.0005337900000000, 0.0015583400000000 ] - [ 0.0069477400000000, -0.0046624500000000, 0.0031578900000000 ] - [ 0.0012012100000000, 0.0011735800000000, -0.0005293100000000 ] - [ 0.0003280600000000, 0.0001805500000000, -0.0005785200000000 ] - [ -0.0017577500000000, -0.0001288700000000, -0.0005727600000000 ] - [ 0.0035634600000000, 0.0034818500000000, 0.0010149900000000 ] - [ -0.0002645700000000, -0.0001209100000000, -0.0007582800000000 ] - [ -0.0002139700000000, 0.0002377000000000, -0.0000089300000000 ] - [ 0.0007279400000000, -0.0002703100000000, 0.0014650500000000 ] - [ 0.0007731200000000, -0.0003432100000000, 0.0012336300000000 ] - [ 0.0015681800000000, 0.0005369200000000, -0.0000821300000000 ] - [ -0.0025399500000000, 0.0022239600000000, 0.0032003100000000 ] - [ -0.0042805300000000, 0.0029971200000000, 0.0014961000000000 ] - [ 0.0011891100000000, -0.0000032300000000, -0.0000538300000000 ] - [ -0.0001757400000000, -0.0000575500000000, -0.0006369800000000 ] - [ -0.0008207200000000, 0.0001962700000000, -0.0019117000000000 ] - [ 0.0001182000000000, -0.0003442000000000, 0.0007316600000000 ] - [ 0.0000371800000000, -0.0003547500000000, 0.0010105800000000 ] - [ 0.0019137500000000, 0.0027787700000000, 0.0046248500000000 ] - [ 0.0006288100000000, 0.0000791100000000, 0.0004979700000000 ] - [ -0.0002242000000000, -0.0004614600000000, -0.0012660600000000 ] - [ -0.0002549900000000, 0.0000445200000000, 0.0006976100000000 ] - [ 0.0000537100000000, 0.0000030500000000, 0.0002479300000000 ] - [ -0.0005196000000000, -0.0001331300000000, 0.0001807200000000 ] - [ 0.0002525100000000, -0.0000748300000000, 0.0001439500000000 ] - [ 0.0002434300000000, -0.0002439700000000, 0.0001586300000000 ] - [ 0.0167002200000000, 0.0105877900000000, 0.0058869000000000 ] - [ -0.0000236700000000, -0.0004158500000000, -0.0011034300000000 ] - [ -0.0001321600000000, 0.0005210600000000, -0.0048851400000000 ] - [ -0.0000418500000000, -0.0001109500000000, -0.0003673000000000 ] - [ -0.0001445500000000, -0.0017463000000000, -0.0003636600000000 ] - [ 0.0005116900000000, -0.0022713800000000, -0.0010095400000000 ] - [ 0.0003435700000000, -0.0004625800000000, 0.0001103800000000 ] - [ -0.0001060600000000, -0.0011675800000000, 0.0003207200000000 ] - [ 0.0000741100000000, 0.0001155900000000, 0.0009540600000000 ] - [ 0.0002212700000000, 0.0001261700000000, 0.0008830400000000 ] - [ 0.0000673800000000, 0.0002707300000000, -0.0005413000000000 ] - [ 0.0009355300000000, 0.0046140900000000, -0.0016578300000000 ] - [ -0.0006135800000000, -0.0012911000000000, 0.0012923800000000 ] - [ 0.0019798200000000, -0.0014987800000000, 0.0016831000000000 ] - [ 0.0000166800000000, -0.0027401800000000, 0.0004201500000000 ] - [ 0.0008302900000000, -0.0004026000000000, -0.0004445400000000 ] - [ 0.0003695900000000, 0.0008996100000000, 0.0016919100000000 ] - [ 0.0015974700000000, 0.0010639500000000, 0.0017944100000000 ] - [ 0.0002831100000000, 0.0007475600000000, -0.0012039600000000 ] - [ -0.0041813500000000, 0.0295049100000000, 0.0321377300000000 ] - [ -0.0004893300000000, -0.0012318500000000, 0.0007439300000000 ] - [ -0.0004274300000000, -0.0012931600000000, 0.0008682200000000 ] - [ 0.0003392300000000, 0.0004646700000000, 0.0002270400000000 ] - [ 0.0006057400000000, 0.0008899400000000, 0.0003518400000000 ] - [ 0.0004750800000000, -0.0012063000000000, 0.0009900300000000 ] - [ 0.0016131700000000, -0.0011488800000000, 0.0010360000000000 ] - [ -0.1026689700000000, -0.1831739800000000, -0.2685521800000000 ] - [ -0.0002852500000000, 0.0000339400000000, -0.0015698900000000 ] - [ -0.0001809000000000, -0.0005127600000000, -0.0003282800000000 ] - [ -0.0000860900000000, -0.0007927300000000, -0.0003286900000000 ] - [ 0.0002313500000000, 0.0003442500000000, 0.0007199900000000 ] - [ 0.0001700000000000, 0.0004282100000000, 0.0009475500000000 ] - [ -0.0000396500000000, -0.0009765500000000, 0.0012374000000000 ] - [ -0.0000550100000000, -0.0008491300000000, 0.0010333300000000 ] - [ -0.0004955100000000, -0.0007729400000000, -0.0013701700000000 ] - [ -0.0008272000000000, -0.0008233500000000, -0.0012123500000000 ] - [ -0.0015966000000000, 0.0007828200000000, -0.0011211000000000 ] - [ 0.0012984100000000, 0.0025783000000000, -0.0026617300000000 ] - [ 0.0015661200000000, 0.0037577200000000, -0.0028695200000000 ] - [ -0.0065372000000000, 0.0030007500000000, 0.0014162400000000 ] - [ -0.0012453100000000, -0.0046029200000000, 0.0021792600000000 ] - [ 0.0000801900000000, 0.0001873400000000, 0.0015385800000000 ] - [ 0.0031939300000000, -0.0003714400000000, -0.0020840600000000 ] - [ -0.0041408400000000, -0.0006034800000000, -0.0019671600000000 ] - [ 0.0000851600000000, 0.0027613300000000, 0.0029052900000000 ] - [ -0.0002913900000000, 0.0005008100000000, 0.0001165800000000 ] - [ -0.0001044300000000, 0.0012582900000000, -0.0029790600000000 ] - [ -0.0001316500000000, 0.0015099200000000, -0.0031489700000000 ] - [ -0.0014939600000000, -0.0001510000000000, 0.0011864500000000 ] - [ 0.0014138700000000, -0.0146074200000000, -0.0101822600000000 ] - [ 0.0003013900000000, 0.0004664500000000, -0.0032843700000000 ] - [ -0.0006099800000000, 0.0004430400000000, -0.0023975800000000 ] - [ -0.0006461200000000, 0.0003216700000000, -0.0003100800000000 ] - [ 0.0000981100000000, 0.0006514500000000, -0.0004253600000000 ] - [ 0.0001374600000000, 0.0009805700000000, 0.0001687700000000 ] - [ -0.0000356200000000, 0.0019883700000000, 0.0000299900000000 ] - [ 0.0983157000000000, 0.1506840000000000, 0.2158109500000000 ] - [ -0.0000189100000000, 0.0005619800000000, 0.0021287800000000 ] - [ -0.0014530000000000, 0.0013641100000000, -0.0031803300000000 ] - [ 0.0006401900000000, 0.0005451800000000, -0.0004163800000000 ] - [ -0.0001769400000000, -0.0001908200000000, -0.0003990300000000 ] - [ -0.0000709500000000, -0.0001918600000000, -0.0006761500000000 ] - [ -0.0001704600000000, -0.0001220300000000, 0.0004720300000000 ] - [ 0.0004961500000000, -0.0000664400000000, 0.0005240200000000 ] - [ -0.0049448400000000, 0.0013402800000000, 0.0186987600000000 ] - [ -0.0001085900000000, -0.0003560300000000, 0.0002053200000000 ] - [ -0.0010420400000000, -0.0020079300000000, -0.0011677900000000 ] - [ 0.0007417600000000, -0.0014970200000000, -0.0007339600000000 ] - [ -0.0002918900000000, 0.0005442100000000, -0.0019703200000000 ] - [ 0.0002741800000000, 0.0008370200000000, -0.0048206800000000 ] - [ -0.0005312800000000, 0.0011912800000000, 0.0045467700000000 ] - [ -0.0023470700000000, -0.0018245700000000, 0.0046409600000000 ] - [ 0.0002190700000000, -0.0016931000000000, 0.0016320600000000 ] - [ -0.0000694900000000, 0.0001193800000000, 0.0010613600000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000951500000000, -0.0005182200000000, -0.0007888000000000 ] - [ 0.0001127200000000, -0.0004798600000000, -0.0007640900000000 ] - [ -0.0002226000000000, -0.0000190400000000, -0.0005416700000000 ] - [ 0.0005653100000000, 0.0007016800000000, -0.0013313100000000 ] - [ 0.0057029700000000, 0.0028499700000000, 0.0000344100000000 ] - [ -0.0025887100000000, 0.0002291400000000, 0.0002128600000000 ] - [ 0.0002388500000000, -0.0015481200000000, 0.0015838800000000 ] - [ -0.0000184200000000, -0.0002232000000000, 0.0006301700000000 ] - [ -0.0005215100000000, -0.0003247900000000, -0.0007319500000000 ] - [ -0.0007682000000000, -0.0002287900000000, -0.0005007200000000 ] - [ -0.0018188300000000, 0.0008325400000000, -0.0000060000000000 ] - [ 0.0003926700000000, 0.0007564500000000, 0.0000691100000000 ] - [ 0.0014606900000000, 0.0004288300000000, -0.0011808500000000 ] - [ -0.0058508000000000, 0.0045318100000000, -0.0027595100000000 ] - [ -0.0001251000000000, -0.0010506800000000, 0.0001762100000000 ] - [ 0.0007463800000000, -0.0000758600000000, 0.0002056300000000 ] - [ 0.0008114500000000, 0.0000006500000000, -0.0002814100000000 ] - [ -0.0045057400000000, -0.0035936800000000, -0.0018670600000000 ] - [ -0.0006846400000000, 0.0002447700000000, 0.0016179500000000 ] - [ -0.0007343400000000, -0.0001133100000000, 0.0008670600000000 ] - [ 0.0002168800000000, 0.0001437000000000, -0.0006115400000000 ] - [ 0.0001755000000000, 0.0002168200000000, -0.0003779100000000 ] - [ -0.0006185900000000, -0.0004098300000000, -0.0007750800000000 ] - [ 0.0035276200000000, -0.0021320200000000, -0.0041071700000000 ] - [ 0.0036508700000000, -0.0031292200000000, -0.0010026500000000 ] - [ -0.0018091800000000, -0.0001433400000000, 0.0005422200000000 ] - [ -0.0004451000000000, 0.0002035800000000, 0.0001473800000000 ] - [ 0.0002003700000000, -0.0000517000000000, 0.0014239500000000 ] - [ 0.0005024500000000, 0.0001983400000000, -0.0012214300000000 ] - [ 0.0005845200000000, 0.0002076200000000, -0.0015021100000000 ] - [ -0.0013324600000000, -0.0026564400000000, -0.0041753800000000 ] - [ -0.0000047800000000, 0.0000670300000000, -0.0000078900000000 ] - [ -0.0003502000000000, 0.0007028600000000, 0.0009261500000000 ] - [ -0.0003387600000000, 0.0002129400000000, -0.0009599700000000 ] - [ -0.0006473100000000, -0.0002607800000000, 0.0000165200000000 ] - [ -0.0000756200000000, -0.0001252400000000, 0.0000836100000000 ] - [ 0.0003442900000000, 0.0003317300000000, 0.0001174300000000 ] - [ 0.0003502500000000, 0.0005000200000000, 0.0001026700000000 ] - [ -0.0164556200000000, -0.0109900600000000, -0.0061706800000000 ] - [ 0.0006209100000000, 0.0001590800000000, 0.0008441800000000 ] - [ -0.0000012300000000, -0.0004248200000000, 0.0054563500000000 ] - [ -0.0001231500000000, -0.0000191400000000, 0.0007946000000000 ] - [ -0.0000192500000000, 0.0018730200000000, -0.0000633200000000 ] - [ -0.0006769600000000, 0.0023974000000000, 0.0005787100000000 ] - [ -0.0001765800000000, 0.0003329800000000, -0.0005365100000000 ] - [ 0.0002709200000000, 0.0010418500000000, -0.0007474500000000 ] - [ 0.0000981800000000, -0.0000013300000000, -0.0005281000000000 ] - [ -0.0000552000000000, 0.0000028100000000, -0.0004579200000000 ] - [ -0.0008154500000000, -0.0003880600000000, 0.0006341700000000 ] - [ -0.0017137000000000, -0.0047914800000000, 0.0017929100000000 ] - [ -0.0001376400000000, 0.0014087800000000, -0.0013841000000000 ] - [ -0.0027214400000000, 0.0016149000000000, -0.0017738100000000 ] - [ 0.0007264300000000, 0.0026398200000000, -0.0005145900000000 ] - [ -0.0000789000000000, 0.0002868500000000, 0.0003523100000000 ] - [ 0.0003812000000000, -0.0007842200000000, -0.0015948300000000 ] - [ -0.0008480600000000, -0.0009476000000000, -0.0017018700000000 ] - [ -0.0012660300000000, 0.0010024600000000, 0.0001640900000000 ] - [ 0.0033874400000000, -0.0283558600000000, -0.0339199800000000 ] - [ -0.0004935500000000, -0.0005191100000000, 0.0002959100000000 ] - [ -0.0005563400000000, -0.0004578000000000, 0.0001709000000000 ] - [ 0.0006415800000000, 0.0012864800000000, 0.0008183000000000 ] - [ 0.0003771100000000, 0.0008595900000000, 0.0006906100000000 ] - [ 0.0005152600000000, -0.0005472900000000, -0.0020280400000000 ] - [ -0.0006320300000000, -0.0006004400000000, -0.0020796800000000 ] - [ 0.1078333700000000, 0.1926734900000000, 0.2729325500000000 ] - [ -0.0001284700000000, 0.0007216200000000, 0.0009411000000000 ] - [ -0.0002337500000000, -0.0002414000000000, 0.0009580400000000 ] - [ -0.0003298200000000, 0.0000374800000000, 0.0009578000000000 ] - [ 0.0001864900000000, 0.0004083400000000, -0.0000881200000000 ] - [ 0.0002446700000000, 0.0003241200000000, -0.0003171200000000 ] - [ 0.0004686500000000, 0.0002288400000000, -0.0018773100000000 ] - [ 0.0004719400000000, 0.0000977900000000, -0.0016678800000000 ] - [ 0.0001758300000000, 0.0001578400000000, 0.0020162200000000 ] - [ 0.0005074600000000, 0.0001982700000000, 0.0018647400000000 ] - [ 0.0012726900000000, -0.0001581500000000, 0.0004704800000000 ] - [ -0.0016134900000000, -0.0019702000000000, 0.0020194900000000 ] - [ -0.0012527400000000, -0.0043873000000000, 0.0022181400000000 ] - [ 0.0068521000000000, -0.0036293300000000, -0.0020577100000000 ] - [ 0.0016110400000000, 0.0051534000000000, -0.0016159500000000 ] - [ 0.0002362600000000, 0.0004403600000000, -0.0008912100000000 ] - [ -0.0032060200000000, -0.0000503000000000, 0.0036895200000000 ] - [ 0.0041423900000000, 0.0001738200000000, 0.0035825500000000 ] - [ -0.0000871800000000, -0.0023282700000000, -0.0045341800000000 ] - [ 0.0002856400000000, -0.0000702900000000, -0.0017315200000000 ] - [ 0.0001121800000000, -0.0016906900000000, 0.0013700400000000 ] - [ 0.0001339700000000, -0.0019385800000000, 0.0015377900000000 ] - [ 0.0014957900000000, 0.0005841000000000, 0.0004267600000000 ] - [ -0.0013705400000000, 0.0151458200000000, 0.0118429100000000 ] - [ -0.0006790900000000, -0.0006063400000000, 0.0033578800000000 ] - [ 0.0002731900000000, -0.0005963100000000, 0.0024653600000000 ] - [ 0.0003080000000000, -0.0001694900000000, 0.0002466200000000 ] - [ -0.0004312300000000, -0.0004997100000000, 0.0003605700000000 ] - [ 0.0001964300000000, -0.0011311900000000, -0.0002285200000000 ] - [ 0.0003741800000000, -0.0021371700000000, -0.0000889200000000 ] - [ -0.1031177700000000, -0.1588289100000000, -0.2214002000000000 ] - [ 0.0003519200000000, -0.0004116100000000, -0.0020696600000000 ] - [ 0.0011585100000000, -0.0010032400000000, 0.0032493300000000 ] - [ -0.0009463200000000, -0.0001799100000000, 0.0004744800000000 ] - [ -0.0001259400000000, -0.0001777800000000, 0.0003429400000000 ] - [ -0.0002286500000000, -0.0001762600000000, 0.0006212000000000 ] - [ 0.0004704500000000, 0.0004878700000000, -0.0005276300000000 ] - [ -0.0001934500000000, 0.0004345400000000, -0.0005819200000000 ] - [ 0.0048929100000000, -0.0015542000000000, -0.0173323800000000 ] - [ 0.0004094500000000, -0.0000127900000000, -0.0001487400000000 ] - [ 0.0008392500000000, 0.0008345900000000, 0.0018684900000000 ] - [ -0.0009571700000000, 0.0003247800000000, 0.0014385000000000 ] - [ 0.0000789400000000, 0.0006340600000000, 0.0012696200000000 ] - [ -0.0004744200000000, 0.0003319000000000, 0.0041364600000000 ] - [ 0.0007235400000000, -0.0023716500000000, -0.0052515700000000 ] - [ 0.0025345200000000, 0.0006423800000000, -0.0053166900000000 ] - [ -0.0000088700000000, 0.0028694000000000, -0.0009287700000000 ] - [ 0.0002772600000000, 0.0010611100000000, -0.0003585200000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.1236045400000000, -0.1090661900000000, -0.1060096300000000 ] - [ -0.0042029100000000, 0.0009607700000000, 0.0005020300000000 ] - [ -0.0004983100000000, -0.0008029800000000, 0.0002548200000000 ] - [ 0.0004671300000000, 0.0013872900000000, -0.0005142100000000 ] - [ 0.0003752200000000, -0.0009619300000000, -0.0001226000000000 ] - [ -0.0007696200000000, -0.0006426800000000, 0.0001897500000000 ] - [ 0.0006624700000000, -0.0019457700000000, 0.0018961300000000 ] - [ -0.0006653600000000, 0.0004908800000000, -0.0004322900000000 ] - [ 0.3576914700000000, 0.0532432200000000, -0.1579892500000000 ] - [ -0.0061927900000000, -0.0005298200000000, 0.0011242600000000 ] - [ -0.0000667300000000, -0.0006071600000000, 0.0004197500000000 ] - [ -0.0015652300000000, 0.0011157900000000, -0.0005484000000000 ] - [ 0.0007992900000000, -0.0006619400000000, 0.0000707400000000 ] - [ 0.0004482000000000, -0.0005700400000000, 0.0003709500000000 ] - [ 0.0021152300000000, -0.0000053800000000, 0.0008863200000000 ] - [ -0.0005992200000000, -0.0001987000000000, -0.0004942800000000 ] - [ -0.0067410400000000, -0.0076337200000000, -0.0092601400000000 ] - [ -0.0033316800000000, 0.0020720400000000, 0.0006339200000000 ] - [ 0.0016182900000000, 0.0008325700000000, 0.0002831500000000 ] - [ -0.0019484200000000, 0.0000778900000000, 0.0006797500000000 ] - [ 0.0050930100000000, -0.0021867400000000, 0.0003842600000000 ] - [ -0.0021812000000000, 0.0003466800000000, -0.0000714500000000 ] - [ 0.0001300900000000, 0.0003600600000000, -0.0002257200000000 ] - [ 0.0004958600000000, -0.0001720000000000, -0.0006231000000000 ] - [ 0.0140513700000000, -0.0076652300000000, -0.0114572300000000 ] - [ -0.0032764100000000, 0.0000920500000000, 0.0011910200000000 ] - [ -0.0010285100000000, 0.0001926300000000, -0.0007531400000000 ] - [ -0.0002789400000000, 0.0010369900000000, 0.0010298500000000 ] - [ 0.0027768400000000, 0.0021442600000000, -0.0012965600000000 ] - [ -0.0019627000000000, -0.0012198200000000, -0.0001368500000000 ] - [ 0.0012901700000000, 0.0002556100000000, 0.0002108800000000 ] - [ -0.0003591200000000, -0.0000925000000000, 0.0002172100000000 ] - [ 0.0049834600000000, 0.0013360900000000, -0.0011446800000000 ] - [ -0.0026318200000000, 0.0002213000000000, 0.0004578100000000 ] - [ -0.0003982700000000, 0.0003661800000000, 0.0018348400000000 ] - [ -0.0023852700000000, -0.0003851200000000, -0.0013358600000000 ] - [ 0.0018473400000000, 0.0029638200000000, -0.0024798300000000 ] - [ -0.0048552600000000, -0.0026812900000000, 0.0045794300000000 ] - [ 0.0012353700000000, -0.0005630600000000, -0.0002510800000000 ] - [ -0.0006111100000000, -0.0000036800000000, -0.0003613600000000 ] - [ 0.0004484500000000, -0.0009598400000000, 0.0003443800000000 ] - [ -0.0005071400000000, -0.0002633000000000, 0.0000806600000000 ] - [ 0.0010088900000000, 0.0005246400000000, 0.0000012500000000 ] - [ -0.0013499100000000, -0.0025837700000000, 0.0001678500000000 ] - [ -0.0006643700000000, -0.0011048100000000, 0.0017874700000000 ] - [ -0.0007688500000000, 0.0018521800000000, -0.0030751100000000 ] - [ 0.0399725800000000, 0.0039287800000000, 0.0020937500000000 ] - [ -0.0016490700000000, 0.0007886000000000, 0.0003339300000000 ] - [ -0.0008548900000000, 0.0000006800000000, 0.0002115700000000 ] - [ 0.0000118200000000, -0.0007491200000000, 0.0002866200000000 ] - [ 0.0012089900000000, -0.0009517200000000, 0.0010014900000000 ] - [ -0.0012239400000000, -0.0004897400000000, -0.0001399300000000 ] - [ 0.0011158300000000, 0.0006679600000000, -0.0007772200000000 ] - [ -0.0003597400000000, -0.0003561000000000, 0.0007414800000000 ] - [ 0.0995661300000000, 0.0021904600000000, 0.0435874600000000 ] - [ -0.0038181600000000, 0.0006187200000000, -0.0002125700000000 ] - [ -0.0008031900000000, 0.0007324000000000, -0.0005613100000000 ] - [ -0.0000770100000000, 0.0005988400000000, -0.0008633500000000 ] - [ 0.0044752900000000, -0.0017866400000000, 0.0010923300000000 ] - [ -0.0029755600000000, -0.0017315000000000, -0.0004037800000000 ] - [ 0.0018841500000000, 0.0018723500000000, -0.0019199400000000 ] - [ -0.0007595600000000, 0.0006496300000000, 0.0018035900000000 ] - [ 0.0076870700000000, -0.0162737500000000, 0.0079754500000000 ] - [ -0.0014175100000000, 0.0002292800000000, -0.0014647100000000 ] - [ 0.0003262600000000, 0.0002716200000000, -0.0006503500000000 ] - [ -0.0009116000000000, -0.0002109400000000, -0.0009847100000000 ] - [ 0.0030005400000000, 0.0003035500000000, -0.0011418900000000 ] - [ -0.0032065200000000, 0.0004296000000000, 0.0017499300000000 ] - [ -0.0009906500000000, 0.0008356400000000, 0.0017018700000000 ] - [ 0.0003029300000000, -0.0001165100000000, -0.0063845700000000 ] - [ 0.0015589200000000, 0.0022083600000000, 0.0011180800000000 ] - [ -0.0009596900000000, -0.0003471200000000, -0.0002384300000000 ] - [ -0.6412992600000000, 0.0282676100000000, 0.2138060500000000 ] - [ 0.0095068000000000, -0.0012299000000000, -0.0011926800000000 ] - [ 0.0003574100000000, 0.0034961600000000, -0.0024458700000000 ] - [ 0.0003450400000000, -0.0040343700000000, 0.0026045500000000 ] - [ -0.0013095200000000, 0.0011480900000000, -0.0008261500000000 ] - [ 0.0009987000000000, 0.0018110000000000, -0.0000138200000000 ] - [ -0.0024877400000000, 0.0021083100000000, -0.0009951200000000 ] - [ 0.0018882900000000, 0.0000701200000000, 0.0007462500000000 ] - [ -0.0026111400000000, 0.0530257800000000, 0.0398770600000000 ] - [ 0.0059705900000000, -0.0026114600000000, -0.0006236800000000 ] - [ -0.0026251300000000, -0.0008842600000000, -0.0001318200000000 ] - [ 0.0021806900000000, 0.0004979100000000, -0.0016050200000000 ] - [ -0.0077077800000000, -0.0005011000000000, 0.0002555200000000 ] - [ 0.0045208700000000, 0.0011697500000000, -0.0002611400000000 ] - [ 0.0006671000000000, 0.0002108900000000, 0.0006905400000000 ] - [ -0.0005356000000000, 0.0010403400000000, 0.0007462300000000 ] - [ -0.0126183100000000, -0.0051324300000000, -0.0104131000000000 ] - [ 0.0042067600000000, -0.0010884600000000, 0.0001909200000000 ] - [ 0.0020879600000000, -0.0010860300000000, -0.0037615000000000 ] - [ 0.0025340700000000, -0.0013520500000000, 0.0066610900000000 ] - [ -0.0068704300000000, -0.0048855200000000, 0.0014804600000000 ] - [ 0.0079593800000000, 0.0021581700000000, -0.0024806500000000 ] - [ -0.0010688800000000, 0.0007850600000000, 0.0001546500000000 ] - [ 0.0015946800000000, 0.0007512500000000, 0.0006011000000000 ] - [ -0.0010128900000000, 0.0001548900000000, 0.0001139600000000 ] - [ 0.0006762900000000, 0.0000504000000000, 0.0000846900000000 ] - [ 0.0067823200000000, -0.0054214600000000, -0.0001982000000000 ] - [ 0.0122650900000000, 0.0123458300000000, 0.0040669400000000 ] - [ -0.0005455000000000, 0.0000442700000000, -0.0001001400000000 ] - [ 0.0010001800000000, 0.0003361100000000, -0.0001299300000000 ] - [ -0.0017054000000000, -0.0002962500000000, -0.0007350400000000 ] - [ 0.0020330100000000, 0.0008970900000000, 0.0001699900000000 ] - [ -0.0047565100000000, -0.0038226500000000, -0.0025470400000000 ] - [ 0.0028240000000000, -0.0000275500000000, 0.0009259700000000 ] - [ 0.0007296700000000, 0.0011906100000000, -0.0010496500000000 ] - [ -0.0002381500000000, 0.0009153100000000, -0.0000849400000000 ] - [ -0.0009603900000000, 0.0002548200000000, 0.0024653200000000 ] - [ 0.0013156300000000, -0.0013051900000000, -0.0006377900000000 ] - [ -0.0019237100000000, 0.0004369000000000, -0.0172363300000000 ] - [ 0.0054259500000000, -0.0011668100000000, 0.0028578200000000 ]- atom: 73 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1227276200000000, 0.1112549100000000, 0.1082013300000000 ] - [ 0.0043322900000000, -0.0010372500000000, -0.0004291900000000 ] - [ 0.0006169800000000, 0.0008881600000000, -0.0003339600000000 ] - [ -0.0003397700000000, -0.0013055400000000, 0.0004368000000000 ] - [ -0.0004962600000000, 0.0008845800000000, 0.0000468200000000 ] - [ 0.0006528100000000, 0.0005665700000000, -0.0002634200000000 ] - [ -0.0007791600000000, 0.0020360400000000, -0.0018317500000000 ] - [ 0.0005444700000000, -0.0004144400000000, 0.0005085700000000 ] - [ -0.3403732400000000, -0.0491465700000000, 0.1457152200000000 ] - [ 0.0051595000000000, 0.0004331800000000, -0.0014990600000000 ] - [ -0.0010180600000000, 0.0007201400000000, -0.0000483200000000 ] - [ 0.0004958100000000, -0.0010064700000000, 0.0009221100000000 ] - [ 0.0002683900000000, 0.0005548800000000, 0.0003064400000000 ] - [ 0.0006294800000000, 0.0004642500000000, 0.0000048600000000 ] - [ -0.0010442300000000, 0.0001115600000000, -0.0012601400000000 ] - [ 0.0016725000000000, 0.0003037200000000, 0.0001150500000000 ] - [ 0.0057130500000000, 0.0074314200000000, 0.0083394100000000 ] - [ 0.0023968300000000, -0.0022034300000000, -0.0014799300000000 ] - [ -0.0025713600000000, -0.0007114900000000, 0.0005651300000000 ] - [ 0.0010048000000000, 0.0000494300000000, 0.0001729300000000 ] - [ -0.0041454200000000, 0.0020838900000000, 0.0004751300000000 ] - [ 0.0031435100000000, -0.0004867000000000, 0.0009329400000000 ] - [ 0.0008078200000000, -0.0002338300000000, -0.0006299200000000 ] - [ 0.0004592900000000, 0.0002961600000000, -0.0002361800000000 ] - [ -0.0146544800000000, 0.0075373800000000, 0.0119778600000000 ] - [ 0.0026602100000000, -0.0002336700000000, -0.0006962500000000 ] - [ 0.0004029500000000, -0.0000441000000000, 0.0002569300000000 ] - [ -0.0003335800000000, -0.0008991000000000, -0.0015360400000000 ] - [ -0.0021920600000000, -0.0022949700000000, 0.0008166300000000 ] - [ 0.0025871100000000, 0.0010665200000000, -0.0003497000000000 ] - [ -0.0006632400000000, -0.0001072100000000, 0.0002795400000000 ] - [ 0.0009740100000000, 0.0002354800000000, 0.0002695400000000 ] - [ -0.0055263900000000, -0.0011062700000000, 0.0008539000000000 ] - [ 0.0020379200000000, 0.0000430300000000, -0.0007157400000000 ] - [ -0.0002183000000000, -0.0006271500000000, -0.0015821500000000 ] - [ 0.0017959400000000, 0.0001270400000000, 0.0015925900000000 ] - [ -0.0012864300000000, -0.0027237900000000, 0.0027785500000000 ] - [ 0.0054700000000000, 0.0029503300000000, -0.0043175300000000 ] - [ -0.0006416700000000, 0.0003071300000000, -0.0000126900000000 ] - [ 0.0012059500000000, -0.0002539600000000, 0.0000963100000000 ] - [ -0.0006145600000000, 0.0008374500000000, 0.0000812900000000 ] - [ 0.0003409600000000, 0.0001316100000000, 0.0003456000000000 ] - [ -0.0011876000000000, -0.0003963700000000, -0.0004332000000000 ] - [ 0.0011912400000000, 0.0027218800000000, -0.0005941600000000 ] - [ 0.0008293200000000, 0.0009922200000000, -0.0022398500000000 ] - [ 0.0009342100000000, -0.0019758400000000, 0.0026275200000000 ] - [ -0.0397474200000000, -0.0028360200000000, -0.0021578700000000 ] - [ 0.0018199800000000, -0.0006441800000000, 0.0000919000000000 ] - [ 0.0001039200000000, -0.0001200400000000, -0.0001198000000000 ] - [ -0.0007572600000000, 0.0006363000000000, -0.0002003900000000 ] - [ -0.0019659900000000, 0.0010770200000000, -0.0010966500000000 ] - [ 0.0004815500000000, 0.0006006400000000, 0.0000593600000000 ] - [ -0.0003614900000000, -0.0007887300000000, 0.0006745800000000 ] - [ 0.0011104900000000, 0.0002444300000000, -0.0008428700000000 ] - [ -0.1021827400000000, -0.0032962800000000, -0.0478326400000000 ] - [ 0.0045802700000000, -0.0004908800000000, 0.0003221200000000 ] - [ -0.0001821000000000, 0.0010153300000000, -0.0004802100000000 ] - [ -0.0009049400000000, 0.0011506700000000, -0.0001779300000000 ] - [ -0.0054808000000000, 0.0000513800000000, -0.0000598800000000 ] - [ 0.0020057700000000, -0.0000142100000000, 0.0014581200000000 ] - [ -0.0008936900000000, -0.0001216400000000, 0.0029505700000000 ] - [ 0.0017473000000000, 0.0011088700000000, -0.0007853100000000 ] - [ -0.0067532900000000, 0.0145438100000000, -0.0090651000000000 ] - [ 0.0024045800000000, -0.0019759300000000, 0.0004308500000000 ] - [ -0.0007403400000000, 0.0004845000000000, 0.0000214200000000 ] - [ 0.0004944900000000, 0.0009638500000000, 0.0003509400000000 ] - [ -0.0034414300000000, -0.0010493500000000, 0.0017692900000000 ] - [ 0.0028038700000000, -0.0011874800000000, -0.0011206300000000 ] - [ 0.0014092100000000, -0.0000737900000000, -0.0011179900000000 ] - [ 0.0001179900000000, 0.0008723700000000, 0.0070060700000000 ] - [ -0.0011832200000000, -0.0030557700000000, -0.0017366900000000 ] - [ 0.0013783000000000, -0.0004027500000000, -0.0003938200000000 ] - [ 0.6252965500000000, -0.0350801900000000, -0.1982870700000000 ] - [ -0.0098703100000000, 0.0005891200000000, 0.0018525800000000 ] - [ -0.0006641000000000, -0.0029065100000000, 0.0018196400000000 ] - [ -0.0006768500000000, 0.0046390300000000, -0.0032396200000000 ] - [ 0.0016384500000000, -0.0017725100000000, 0.0001820200000000 ] - [ -0.0006904300000000, -0.0024386600000000, -0.0006436500000000 ] - [ 0.0028067600000000, -0.0014956700000000, 0.0016548300000000 ] - [ -0.0015696200000000, 0.0005578600000000, -0.0000934800000000 ] - [ 0.0024983700000000, -0.0535378900000000, -0.0384728600000000 ] - [ -0.0059902400000000, 0.0021678800000000, 0.0022108000000000 ] - [ 0.0026210400000000, 0.0013192100000000, -0.0014594400000000 ] - [ -0.0021862600000000, -0.0000743800000000, 0.0000109500000000 ] - [ 0.0077457500000000, 0.0000259300000000, -0.0018808400000000 ] - [ -0.0045334900000000, -0.0015974200000000, -0.0013719500000000 ] - [ -0.0006487300000000, 0.0002250600000000, 0.0009225000000000 ] - [ 0.0005308300000000, -0.0006110500000000, 0.0008683700000000 ] - [ 0.0123033700000000, 0.0051095600000000, 0.0105230700000000 ] - [ -0.0045472500000000, 0.0009182300000000, -0.0001329700000000 ] - [ -0.0023990200000000, 0.0012238500000000, 0.0037629300000000 ] - [ -0.0028771100000000, 0.0015049000000000, -0.0066902900000000 ] - [ 0.0072943700000000, 0.0047346200000000, -0.0015425200000000 ] - [ -0.0076517400000000, -0.0023160400000000, 0.0024080300000000 ] - [ 0.0014033700000000, -0.0006382300000000, -0.0000907000000000 ] - [ -0.0012579800000000, -0.0005969500000000, -0.0005360000000000 ] - [ 0.0007124700000000, 0.0002158100000000, -0.0000664700000000 ] - [ -0.0009783300000000, 0.0003183000000000, -0.0000263200000000 ] - [ -0.0071207500000000, 0.0050958900000000, 0.0001289300000000 ] - [ -0.0125681600000000, -0.0126748500000000, -0.0041358800000000 ] - [ 0.0008539700000000, 0.0003244600000000, 0.0000480500000000 ] - [ -0.0007043300000000, 0.0000306300000000, 0.0000778100000000 ] - [ 0.0020047800000000, -0.0000687300000000, 0.0007944300000000 ] - [ -0.0017253000000000, -0.0012614200000000, -0.0001168400000000 ] - [ 0.0045699100000000, 0.0026537100000000, 0.0032518000000000 ] - [ -0.0030450100000000, -0.0011418100000000, -0.0002126300000000 ] - [ -0.0009245400000000, -0.0000047300000000, 0.0003489900000000 ] - [ 0.0000163600000000, 0.0002641600000000, -0.0006180300000000 ] - [ 0.0011707800000000, -0.0014335200000000, -0.0031640000000000 ] - [ -0.0011129400000000, 0.0001271400000000, -0.0000631200000000 ] - [ 0.0021149400000000, 0.0007530700000000, 0.0179769400000000 ] - [ -0.0052165200000000, 0.0023392000000000, -0.0021752500000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.1101852300000000, 0.2327051700000000, 0.1765157300000000 ] - [ -0.0004519100000000, 0.0010773500000000, 0.0003337200000000 ] - [ -0.0011797600000000, 0.0006268600000000, 0.0009614500000000 ] - [ 0.0031108000000000, 0.0003931700000000, 0.0030500300000000 ] - [ -0.0008794400000000, -0.0031304900000000, -0.0000216100000000 ] - [ 0.0001933000000000, -0.0005501100000000, -0.0000813600000000 ] - [ -0.0005486200000000, -0.0004579800000000, 0.0002716400000000 ] - [ 0.0003755500000000, -0.0002178100000000, 0.0001314800000000 ] - [ 0.0528870600000000, 0.0641908300000000, -0.0220747500000000 ] - [ 0.0005596000000000, 0.0017486300000000, 0.0004932100000000 ] - [ -0.0028648400000000, 0.0012631400000000, 0.0009493900000000 ] - [ 0.0006309100000000, 0.0008360500000000, 0.0013286000000000 ] - [ 0.0010424600000000, -0.0025436700000000, -0.0002646500000000 ] - [ 0.0024324200000000, -0.0017336600000000, -0.0003902700000000 ] - [ -0.0007125400000000, -0.0007226300000000, -0.0018800600000000 ] - [ 0.0005302500000000, -0.0003039500000000, -0.0003832200000000 ] - [ -0.0042081100000000, 0.0013082700000000, -0.0035756900000000 ] - [ -0.0000459400000000, 0.0017013000000000, -0.0002935700000000 ] - [ -0.0002991400000000, 0.0014465800000000, 0.0003196400000000 ] - [ -0.0003297300000000, 0.0007478100000000, 0.0001585000000000 ] - [ -0.0016490600000000, -0.0055238000000000, 0.0009272200000000 ] - [ 0.0010524200000000, -0.0016231100000000, 0.0006609000000000 ] - [ 0.0009972100000000, -0.0025147500000000, -0.0005810000000000 ] - [ 0.0005649500000000, -0.0008356100000000, -0.0001847700000000 ] - [ 0.0021007800000000, 0.0019164500000000, -0.0061044800000000 ] - [ -0.0003531800000000, 0.0006037900000000, 0.0003766700000000 ] - [ -0.0005623900000000, 0.0013154500000000, -0.0008834600000000 ] - [ -0.0002378100000000, 0.0011464600000000, 0.0002054400000000 ] - [ 0.0009391700000000, -0.0071544700000000, 0.0004760300000000 ] - [ 0.0005890000000000, -0.0014783400000000, -0.0001281100000000 ] - [ -0.0004177100000000, -0.0027173500000000, 0.0002063200000000 ] - [ 0.0003387100000000, -0.0008068500000000, 0.0004030500000000 ] - [ 0.0120247000000000, -0.0180464800000000, -0.0099380200000000 ] - [ -0.0013861000000000, 0.0002618900000000, 0.0001169200000000 ] - [ 0.0018758900000000, 0.0014664300000000, -0.0035495900000000 ] - [ -0.0010267000000000, 0.0012954800000000, -0.0008950300000000 ] - [ 0.0015104500000000, 0.0008238800000000, 0.0036764400000000 ] - [ -0.0008620100000000, -0.0003178400000000, 0.0010842500000000 ] - [ 0.0007842700000000, -0.0009387400000000, 0.0000859700000000 ] - [ 0.0003713700000000, -0.0004891700000000, -0.0001293500000000 ] - [ -0.0001876400000000, -0.0023079800000000, 0.0000274300000000 ] - [ -0.0000380900000000, -0.0013330800000000, 0.0000884300000000 ] - [ 0.0009105900000000, -0.0049166900000000, 0.0011225700000000 ] - [ -0.0000022000000000, -0.0018824200000000, -0.0002899000000000 ] - [ -0.0000706900000000, 0.0058102100000000, -0.0003703900000000 ] - [ 0.0008401300000000, 0.0046454600000000, 0.0005277100000000 ] - [ -0.0004809200000000, 0.1256402600000000, -0.0603754400000000 ] - [ 0.0001138400000000, 0.0024326500000000, -0.0000003500000000 ] - [ -0.0002677800000000, -0.0010139600000000, 0.0002088800000000 ] - [ -0.0008536600000000, -0.0012262700000000, 0.0005583900000000 ] - [ 0.0002959400000000, -0.0066107000000000, 0.0030159700000000 ] - [ 0.0005466200000000, -0.0013043300000000, 0.0010904000000000 ] - [ 0.0003836700000000, 0.0019726700000000, 0.0017434200000000 ] - [ -0.0006248100000000, 0.0016323900000000, 0.0006572000000000 ] - [ 0.0129373700000000, 0.0512326200000000, 0.0167107500000000 ] - [ 0.0007583800000000, 0.0016953000000000, 0.0010804400000000 ] - [ -0.0003658700000000, -0.0000544700000000, -0.0010860500000000 ] - [ -0.0002111300000000, -0.0002673000000000, -0.0011335800000000 ] - [ 0.0021376600000000, -0.0062548200000000, 0.0052505900000000 ] - [ -0.0005824500000000, -0.0014535600000000, 0.0006570800000000 ] - [ 0.0005821700000000, 0.0031307000000000, -0.0009676300000000 ] - [ 0.0018854000000000, 0.0032999000000000, -0.0017178800000000 ] - [ -0.0087916500000000, -0.0048509500000000, -0.0197032400000000 ] - [ 0.0006690600000000, 0.0001250400000000, -0.0009121300000000 ] - [ 0.0000901900000000, -0.0002162700000000, -0.0007803800000000 ] - [ -0.0005722600000000, -0.0002159700000000, -0.0008260200000000 ] - [ -0.0000779600000000, 0.0013657000000000, 0.0026013400000000 ] - [ -0.0008648000000000, -0.0002206100000000, 0.0007898900000000 ] - [ 0.0028849900000000, 0.0016143800000000, -0.0037479000000000 ] - [ -0.0036112900000000, 0.0025033700000000, -0.0030084400000000 ] - [ -0.0044390900000000, -0.0188625400000000, 0.0045563600000000 ] - [ 0.0003825400000000, -0.0002180200000000, -0.0001902300000000 ] - [ 0.0351798600000000, -0.5635647900000000, -0.1386349400000000 ] - [ -0.0010575400000000, -0.0036524400000000, 0.0004813000000000 ] - [ 0.0041789300000000, -0.0042376400000000, -0.0013382800000000 ] - [ -0.0033597300000000, -0.0042464500000000, -0.0046296100000000 ] - [ -0.0013145800000000, 0.0080391000000000, -0.0005327500000000 ] - [ -0.0019608200000000, 0.0018590600000000, 0.0003484700000000 ] - [ 0.0019599200000000, 0.0025401600000000, 0.0011002300000000 ] - [ -0.0000834400000000, 0.0016526000000000, 0.0007318800000000 ] - [ 0.0155929300000000, 0.0030836100000000, 0.0376189000000000 ] - [ -0.0003656700000000, -0.0029872200000000, 0.0001153000000000 ] - [ -0.0004438700000000, -0.0033835500000000, -0.0013853300000000 ] - [ 0.0001326600000000, -0.0026051000000000, 0.0001512200000000 ] - [ 0.0014104800000000, 0.0185972500000000, -0.0040995700000000 ] - [ -0.0008536100000000, 0.0016151600000000, -0.0021239800000000 ] - [ -0.0003378500000000, 0.0021354700000000, 0.0009764100000000 ] - [ 0.0003842600000000, 0.0024695900000000, 0.0008039700000000 ] - [ 0.0004589500000000, 0.1038322900000000, 0.0213496000000000 ] - [ 0.0006126400000000, -0.0019920700000000, -0.0007412800000000 ] - [ -0.0053766900000000, -0.0080121800000000, 0.0050164800000000 ] - [ 0.0019228600000000, -0.0083753800000000, 0.0031354400000000 ] - [ -0.0051032500000000, 0.0007424500000000, -0.0110419100000000 ] - [ 0.0018545600000000, 0.0014577700000000, -0.0016406900000000 ] - [ -0.0006809500000000, 0.0027093900000000, 0.0001051500000000 ] - [ 0.0002070800000000, 0.0016752700000000, 0.0003233000000000 ] - [ -0.0003279000000000, 0.0024788900000000, -0.0039775700000000 ] - [ -0.0002493500000000, 0.0006540200000000, -0.0001778600000000 ] - [ -0.0106048200000000, 0.0031356500000000, -0.0030865400000000 ] - [ 0.0057232500000000, 0.0024091800000000, 0.0000627600000000 ] - [ 0.0001394000000000, -0.0001988300000000, 0.0005130900000000 ] - [ 0.0002132800000000, 0.0000273500000000, 0.0000808900000000 ] - [ -0.0016631400000000, 0.0013492100000000, 0.0037037500000000 ] - [ 0.0010513400000000, 0.0005460600000000, 0.0004569000000000 ] - [ 0.0021490200000000, 0.0132935100000000, 0.0134701300000000 ] - [ -0.0008145200000000, 0.0007766900000000, 0.0010857900000000 ] - [ 0.0029355300000000, 0.0069812700000000, -0.0004290500000000 ] - [ -0.0033478600000000, 0.0074239200000000, -0.0014904800000000 ] - [ 0.0006889700000000, -0.0005775400000000, 0.0013788200000000 ] - [ -0.0002545500000000, -0.0010763200000000, -0.0003524800000000 ] - [ 0.0002277300000000, -0.0030213100000000, -0.0047153900000000 ] - [ 0.0010891400000000, -0.0022129600000000, 0.0004369600000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.1043246100000000, -0.2260059100000000, -0.1670684000000000 ] - [ 0.0005599200000000, -0.0011478700000000, -0.0002563000000000 ] - [ 0.0012968900000000, -0.0005604300000000, -0.0010435100000000 ] - [ -0.0029952400000000, -0.0003226600000000, -0.0031396300000000 ] - [ 0.0007619900000000, 0.0030414600000000, -0.0000427300000000 ] - [ -0.0003151400000000, 0.0004690000000000, 0.0000086900000000 ] - [ 0.0004304400000000, 0.0005392500000000, -0.0001929900000000 ] - [ -0.0004948900000000, 0.0002972700000000, -0.0000510500000000 ] - [ -0.0552337300000000, -0.0653044800000000, 0.0224851000000000 ] - [ -0.0016494700000000, -0.0018537900000000, -0.0008695200000000 ] - [ 0.0017986800000000, -0.0011653700000000, -0.0005696200000000 ] - [ -0.0017025700000000, -0.0007321400000000, -0.0009525200000000 ] - [ 0.0000411200000000, 0.0024308100000000, 0.0006418800000000 ] - [ -0.0013699100000000, 0.0016267000000000, 0.0007711600000000 ] - [ 0.0017856600000000, 0.0008311400000000, 0.0015048700000000 ] - [ 0.0005391100000000, 0.0004110300000000, 0.0000084200000000 ] - [ 0.0032063000000000, -0.0015105500000000, 0.0026644200000000 ] - [ -0.0009019400000000, -0.0018314800000000, -0.0005628400000000 ] - [ -0.0006456400000000, -0.0013212500000000, 0.0005369700000000 ] - [ -0.0006222000000000, -0.0006231000000000, 0.0007019900000000 ] - [ 0.0025977300000000, 0.0053721200000000, -0.0000853700000000 ] - [ -0.0001096600000000, 0.0014963500000000, 0.0001918100000000 ] - [ -0.0000493500000000, 0.0026422800000000, -0.0002782500000000 ] - [ 0.0003810500000000, 0.0009618500000000, -0.0006745400000000 ] - [ -0.0026733500000000, -0.0021387500000000, 0.0065387300000000 ] - [ -0.0002712600000000, -0.0007505400000000, 0.0001141000000000 ] - [ -0.0000599700000000, -0.0011711800000000, 0.0003966600000000 ] - [ -0.0003795300000000, -0.0010014400000000, -0.0006951100000000 ] - [ -0.0002918900000000, 0.0069929000000000, -0.0009887800000000 ] - [ 0.0000196400000000, 0.0013295900000000, -0.0003612800000000 ] - [ 0.0010406800000000, 0.0028662600000000, 0.0002782300000000 ] - [ 0.0002804700000000, 0.0009540000000000, 0.0000850000000000 ] - [ -0.0125838500000000, 0.0183449800000000, 0.0096324100000000 ] - [ 0.0007922500000000, -0.0000085700000000, -0.0003779600000000 ] - [ -0.0024737900000000, -0.0017152400000000, 0.0038536500000000 ] - [ 0.0004318200000000, -0.0015496700000000, 0.0011547400000000 ] - [ -0.0008872400000000, -0.0005423800000000, -0.0034144000000000 ] - [ 0.0014386700000000, 0.0005747500000000, -0.0008019600000000 ] - [ -0.0001882100000000, 0.0006791800000000, -0.0003470800000000 ] - [ 0.0002220200000000, 0.0002310300000000, -0.0001318700000000 ] - [ 0.0000223400000000, 0.0021795200000000, 0.0004047700000000 ] - [ -0.0001277200000000, 0.0012045500000000, 0.0003432000000000 ] - [ -0.0010558700000000, 0.0050314800000000, -0.0015298200000000 ] - [ -0.0001677300000000, 0.0020075000000000, -0.0001366800000000 ] - [ 0.0002258700000000, -0.0059668100000000, -0.0000454700000000 ] - [ -0.0006725700000000, -0.0047762900000000, -0.0009560300000000 ] - [ 0.0007819700000000, -0.1354190900000000, 0.0664443600000000 ] - [ 0.0000486900000000, -0.0023079800000000, 0.0004285600000000 ] - [ -0.0004824600000000, 0.0009000800000000, -0.0001140500000000 ] - [ 0.0001057400000000, 0.0011111500000000, -0.0004668900000000 ] - [ -0.0010270000000000, 0.0066932000000000, -0.0030947400000000 ] - [ -0.0012982000000000, 0.0014191500000000, -0.0011806800000000 ] - [ 0.0003668200000000, -0.0020937900000000, -0.0018392800000000 ] - [ 0.0013704000000000, -0.0017546100000000, -0.0007439000000000 ] - [ -0.0120926300000000, -0.0508311800000000, -0.0162783600000000 ] - [ -0.0000151000000000, -0.0015792400000000, -0.0009896000000000 ] - [ -0.0006158400000000, 0.0018054800000000, 0.0000482600000000 ] - [ -0.0007704500000000, 0.0020169000000000, 0.0000940700000000 ] - [ -0.0030620600000000, 0.0044232600000000, -0.0041430100000000 ] - [ -0.0004047300000000, -0.0002960900000000, 0.0003840900000000 ] - [ 0.0004042800000000, -0.0013762500000000, 0.0020043700000000 ] - [ -0.0009169700000000, -0.0015562100000000, 0.0027735700000000 ] - [ 0.0097691400000000, 0.0030202100000000, 0.0187213800000000 ] - [ 0.0003092400000000, -0.0018785900000000, -0.0001283500000000 ] - [ -0.0005045500000000, 0.0009699800000000, 0.0001530300000000 ] - [ 0.0001568600000000, 0.0009683900000000, 0.0001979700000000 ] - [ -0.0003308500000000, -0.0020954700000000, -0.0019489900000000 ] - [ 0.0004411500000000, -0.0005287700000000, -0.0001527900000000 ] - [ -0.0025059800000000, -0.0008444100000000, 0.0043961300000000 ] - [ 0.0040245300000000, -0.0017311800000000, 0.0036196200000000 ] - [ 0.0047986300000000, 0.0179670200000000, -0.0051980300000000 ] - [ 0.0000271000000000, -0.0005409800000000, -0.0004408100000000 ] - [ -0.0283663000000000, 0.5677680600000000, 0.1229778900000000 ] - [ 0.0007610800000000, 0.0030247900000000, 0.0001601900000000 ] - [ -0.0044946800000000, 0.0048943100000000, 0.0006776600000000 ] - [ 0.0030424500000000, 0.0048855900000000, 0.0039876300000000 ] - [ 0.0016067500000000, -0.0086297700000000, -0.0001377400000000 ] - [ 0.0022892200000000, -0.0024764000000000, -0.0010048800000000 ] - [ -0.0016439600000000, -0.0019209000000000, -0.0004567300000000 ] - [ 0.0004046500000000, -0.0010326400000000, -0.0000896000000000 ] - [ -0.0156516200000000, -0.0032142000000000, -0.0361688600000000 ] - [ 0.0003625600000000, 0.0025606600000000, 0.0014938600000000 ] - [ 0.0004315600000000, 0.0038184900000000, -0.0002262100000000 ] - [ -0.0001319400000000, 0.0030438200000000, -0.0017738500000000 ] - [ -0.0014267500000000, -0.0188826700000000, 0.0025549300000000 ] - [ 0.0008721200000000, -0.0020460200000000, 0.0005105200000000 ] - [ 0.0003430000000000, -0.0017076700000000, 0.0006347400000000 ] - [ -0.0003769800000000, -0.0020375700000000, 0.0008098000000000 ] - [ -0.0007981600000000, -0.1048182000000000, -0.0209423800000000 ] - [ -0.0009426500000000, 0.0018488700000000, 0.0008064000000000 ] - [ 0.0050996100000000, 0.0081749100000000, -0.0051359300000000 ] - [ -0.0022653700000000, 0.0085052600000000, -0.0031893600000000 ] - [ 0.0053227000000000, -0.0009490500000000, 0.0108513200000000 ] - [ -0.0014960200000000, -0.0016116300000000, 0.0015665200000000 ] - [ 0.0010142100000000, -0.0025532300000000, -0.0000471000000000 ] - [ 0.0001289500000000, -0.0015194900000000, -0.0002644900000000 ] - [ 0.0000236700000000, -0.0021037600000000, 0.0040270100000000 ] - [ -0.0000477400000000, -0.0002831700000000, 0.0002354500000000 ] - [ 0.0103275300000000, -0.0035558000000000, 0.0030494800000000 ] - [ -0.0060072400000000, -0.0027919700000000, -0.0001051600000000 ] - [ 0.0001579700000000, 0.0005611500000000, -0.0005824900000000 ] - [ 0.0000882100000000, 0.0003381200000000, -0.0001397500000000 ] - [ 0.0019650200000000, -0.0017108500000000, -0.0036569900000000 ] - [ -0.0007482900000000, -0.0009046700000000, -0.0004019100000000 ] - [ -0.0023948600000000, -0.0145120500000000, -0.0127251600000000 ] - [ 0.0006176100000000, -0.0019631700000000, -0.0003779500000000 ] - [ -0.0031493600000000, -0.0057907900000000, -0.0002595100000000 ] - [ 0.0031522700000000, -0.0062381100000000, 0.0008029700000000 ] - [ -0.0004824700000000, -0.0005903900000000, -0.0020788500000000 ] - [ 0.0004659400000000, -0.0000995900000000, -0.0003522600000000 ] - [ -0.0000370700000000, 0.0041657900000000, 0.0054094700000000 ] - [ -0.0008678600000000, 0.0033778500000000, 0.0002722800000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.1061164100000000, 0.1732529400000000, 0.2120799600000000 ] - [ 0.0007665500000000, 0.0003711200000000, 0.0014882600000000 ] - [ 0.0010693300000000, 0.0010774700000000, -0.0000671400000000 ] - [ -0.0013108500000000, 0.0006135100000000, -0.0010910000000000 ] - [ -0.0000514100000000, -0.0011816400000000, 0.0003133700000000 ] - [ -0.0002604200000000, -0.0000789500000000, -0.0000551600000000 ] - [ -0.0003695300000000, 0.0014904000000000, -0.0021995200000000 ] - [ -0.0002113400000000, 0.0006729600000000, -0.0013356600000000 ] - [ -0.1534786800000000, -0.0226074700000000, 0.1346910700000000 ] - [ -0.0004276800000000, 0.0007794000000000, 0.0013682800000000 ] - [ -0.0000293100000000, 0.0011637500000000, -0.0020529400000000 ] - [ -0.0015233200000000, 0.0003623200000000, -0.0010437200000000 ] - [ 0.0004377900000000, -0.0004484000000000, 0.0013299800000000 ] - [ -0.0000582200000000, 0.0003699500000000, 0.0009235800000000 ] - [ -0.0004300000000000, 0.0000550200000000, -0.0026966100000000 ] - [ 0.0005566400000000, 0.0000914800000000, -0.0009892600000000 ] - [ -0.0080274800000000, -0.0086256500000000, -0.0100593300000000 ] - [ 0.0011083200000000, -0.0013613000000000, -0.0004723500000000 ] - [ 0.0002657500000000, 0.0002453400000000, -0.0023297900000000 ] - [ -0.0000651500000000, 0.0001037500000000, -0.0011184100000000 ] - [ -0.0012922900000000, 0.0001026200000000, 0.0032856400000000 ] - [ 0.0015676000000000, -0.0001075900000000, 0.0014065700000000 ] - [ 0.0021238500000000, -0.0006761400000000, -0.0013819400000000 ] - [ 0.0000257200000000, 0.0000610800000000, -0.0007582200000000 ] - [ 0.0038459500000000, -0.0116253900000000, -0.0117648000000000 ] - [ -0.0002897800000000, -0.0004121000000000, 0.0001862600000000 ] - [ -0.0012078900000000, 0.0005500500000000, -0.0027875600000000 ] - [ -0.0004427400000000, -0.0001934500000000, -0.0028010700000000 ] - [ -0.0011879500000000, -0.0037109500000000, 0.0039729100000000 ] - [ 0.0004468100000000, 0.0004001100000000, 0.0006461300000000 ] - [ -0.0013071600000000, -0.0005393600000000, -0.0006683200000000 ] - [ 0.0009164400000000, -0.0000362300000000, -0.0000881100000000 ] - [ -0.0059961000000000, 0.0089703400000000, 0.0108934100000000 ] - [ -0.0005733400000000, -0.0003983100000000, 0.0012815900000000 ] - [ 0.0017427800000000, -0.0006202300000000, -0.0034261600000000 ] - [ -0.0013388700000000, -0.0004486800000000, -0.0010568700000000 ] - [ -0.0015362900000000, 0.0023108000000000, 0.0021511200000000 ] - [ 0.0032604400000000, 0.0021359200000000, -0.0017857200000000 ] - [ 0.0002259800000000, -0.0004370100000000, -0.0015299100000000 ] - [ 0.0000887100000000, -0.0002341900000000, -0.0010920500000000 ] - [ -0.0002955300000000, -0.0001564800000000, -0.0005721900000000 ] - [ -0.0000568800000000, -0.0003220100000000, -0.0005434000000000 ] - [ -0.0001802000000000, 0.0021414900000000, -0.0001102400000000 ] - [ 0.0004484500000000, 0.0016428400000000, -0.0002957400000000 ] - [ 0.0019835800000000, 0.0018971400000000, -0.0025604100000000 ] - [ -0.0013340000000000, 0.0000298600000000, -0.0016188600000000 ] - [ -0.0006659400000000, -0.0430010800000000, 0.0824461600000000 ] - [ 0.0001924300000000, -0.0004874000000000, 0.0010797000000000 ] - [ 0.0004638000000000, 0.0001981900000000, -0.0014289200000000 ] - [ -0.0002950500000000, 0.0004347200000000, -0.0013423900000000 ] - [ 0.0000136500000000, 0.0004423700000000, 0.0028876000000000 ] - [ -0.0001736500000000, -0.0000368000000000, 0.0007044400000000 ] - [ 0.0004486400000000, -0.0007779400000000, -0.0023467600000000 ] - [ 0.0014442000000000, -0.0002667200000000, -0.0024349400000000 ] - [ 0.0544431400000000, 0.0026456500000000, 0.0841270900000000 ] - [ 0.0018780300000000, -0.0001190100000000, 0.0010167400000000 ] - [ 0.0002701600000000, 0.0002193600000000, -0.0022257700000000 ] - [ -0.0002045400000000, 0.0003915300000000, -0.0020541100000000 ] - [ -0.0013785800000000, 0.0038562300000000, 0.0059000200000000 ] - [ 0.0006251000000000, 0.0000203100000000, 0.0017724800000000 ] - [ 0.0001430400000000, 0.0013914500000000, -0.0017359700000000 ] - [ 0.0023976700000000, 0.0022095700000000, -0.0030075600000000 ] - [ 0.0126733100000000, -0.0162023500000000, 0.0224014700000000 ] - [ 0.0010304400000000, -0.0018366900000000, 0.0009921700000000 ] - [ -0.0002644400000000, -0.0004643300000000, -0.0020081300000000 ] - [ -0.0008479000000000, -0.0005296000000000, -0.0018573300000000 ] - [ -0.0017941500000000, 0.0032115400000000, -0.0020254500000000 ] - [ 0.0004385300000000, -0.0001647900000000, -0.0004837600000000 ] - [ 0.0030079000000000, 0.0001226900000000, -0.0022027600000000 ] - [ -0.0037388300000000, -0.0002667300000000, 0.0020651900000000 ] - [ 0.0028034700000000, 0.0087283700000000, 0.0015925700000000 ] - [ -0.0003759100000000, -0.0010439400000000, 0.0009005900000000 ] - [ 0.2085728100000000, -0.1337204300000000, -0.5485947600000000 ] - [ -0.0016778900000000, -0.0001480600000000, -0.0022881700000000 ] - [ -0.0030919900000000, -0.0040063900000000, 0.0032242500000000 ] - [ 0.0019820800000000, -0.0007069900000000, 0.0032234700000000 ] - [ -0.0003447500000000, -0.0001183400000000, -0.0028473400000000 ] - [ 0.0004762100000000, -0.0009907700000000, -0.0014015400000000 ] - [ 0.0014838400000000, -0.0004603900000000, 0.0035351800000000 ] - [ -0.0002609300000000, -0.0000963300000000, 0.0028241600000000 ] - [ 0.0140912100000000, 0.0699535300000000, 0.0428146900000000 ] - [ -0.0017681900000000, 0.0012693300000000, -0.0006593100000000 ] - [ -0.0003593000000000, 0.0000513700000000, 0.0053579900000000 ] - [ 0.0002574400000000, -0.0004631700000000, 0.0042038500000000 ] - [ 0.0034374200000000, -0.0010738100000000, -0.0136009400000000 ] - [ -0.0013316800000000, -0.0010138600000000, -0.0032675100000000 ] - [ -0.0018182400000000, 0.0006130200000000, 0.0030976800000000 ] - [ 0.0014554900000000, 0.0001696300000000, 0.0030158900000000 ] - [ -0.0091951300000000, -0.0346958300000000, -0.0352257300000000 ] - [ 0.0000902300000000, 0.0008214100000000, -0.0022785900000000 ] - [ -0.0065298400000000, 0.0003254200000000, 0.0058694400000000 ] - [ 0.0030758700000000, 0.0014079500000000, 0.0033293500000000 ] - [ 0.0032457600000000, -0.0082753000000000, 0.0012452800000000 ] - [ -0.0035727300000000, -0.0018269700000000, 0.0006470400000000 ] - [ 0.0004362700000000, 0.0008648200000000, 0.0024119000000000 ] - [ 0.0002838700000000, 0.0010310100000000, 0.0025273800000000 ] - [ 0.0001319700000000, -0.0006448900000000, 0.0017400900000000 ] - [ -0.0002827600000000, 0.0000281800000000, 0.0000352500000000 ] - [ -0.0069001200000000, 0.0011552000000000, -0.0056256500000000 ] - [ -0.0035600100000000, -0.0055234900000000, -0.0046506200000000 ] - [ 0.0004945800000000, 0.0002099500000000, 0.0028489000000000 ] - [ 0.0000496000000000, 0.0002450000000000, 0.0010366500000000 ] - [ -0.0010042800000000, 0.0018746400000000, -0.0012823400000000 ] - [ 0.0012967800000000, 0.0012957700000000, 0.0000335100000000 ] - [ 0.0022505900000000, 0.0113068200000000, 0.0098620500000000 ] - [ -0.0011432000000000, -0.0002129300000000, -0.0001604700000000 ] - [ -0.0019772800000000, 0.0009148100000000, -0.0026131500000000 ] - [ 0.0017461600000000, -0.0007108200000000, -0.0014403900000000 ] - [ 0.0005999900000000, 0.0009267500000000, 0.0056768200000000 ] - [ -0.0000438700000000, -0.0004159400000000, 0.0014887400000000 ] - [ -0.0085350400000000, -0.0030897900000000, 0.0143128200000000 ] - [ 0.0039227000000000, -0.0016148200000000, 0.0031760100000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.1011909400000000, -0.1651024700000000, -0.2076221800000000 ] - [ -0.0006460300000000, -0.0004468200000000, -0.0014053700000000 ] - [ -0.0009477300000000, -0.0009941200000000, -0.0000026300000000 ] - [ 0.0014267400000000, -0.0005282900000000, 0.0010202900000000 ] - [ -0.0000623600000000, 0.0011144600000000, -0.0003954600000000 ] - [ 0.0001422900000000, 0.0000054000000000, -0.0000246700000000 ] - [ 0.0002502600000000, -0.0014274800000000, 0.0022857900000000 ] - [ 0.0000970200000000, -0.0005980700000000, 0.0014108200000000 ] - [ 0.1568128600000000, 0.0233024600000000, -0.1352116200000000 ] - [ -0.0006562500000000, -0.0008889700000000, -0.0017490000000000 ] - [ -0.0010306900000000, -0.0010498800000000, 0.0024315000000000 ] - [ 0.0004477800000000, -0.0002507900000000, 0.0014219000000000 ] - [ 0.0006350200000000, 0.0003449900000000, -0.0009586500000000 ] - [ 0.0011254500000000, -0.0004735500000000, -0.0005487900000000 ] - [ 0.0014985400000000, 0.0000464100000000, 0.0023246300000000 ] - [ 0.0005117300000000, 0.0000131000000000, 0.0006130200000000 ] - [ 0.0070366800000000, 0.0084009200000000, 0.0090844200000000 ] - [ -0.0020698600000000, 0.0012401700000000, -0.0003932900000000 ] - [ -0.0012141600000000, -0.0001170600000000, 0.0031919400000000 ] - [ -0.0008799900000000, 0.0000213100000000, 0.0019715700000000 ] - [ 0.0022467800000000, -0.0002051200000000, -0.0024362700000000 ] - [ -0.0006264600000000, -0.0000185800000000, -0.0005529600000000 ] - [ -0.0011782900000000, 0.0008021200000000, 0.0005314200000000 ] - [ 0.0009174700000000, 0.0000648600000000, -0.0000935800000000 ] - [ -0.0043960400000000, 0.0115282600000000, 0.0122698400000000 ] - [ -0.0003391600000000, 0.0002641800000000, 0.0002994300000000 ] - [ 0.0005897800000000, -0.0004035700000000, 0.0022931100000000 ] - [ -0.0001866400000000, 0.0003439700000000, 0.0023165000000000 ] - [ 0.0018173200000000, 0.0036122300000000, -0.0044793400000000 ] - [ 0.0001715200000000, -0.0005474900000000, -0.0011363100000000 ] - [ 0.0019289100000000, 0.0006839900000000, 0.0011644800000000 ] - [ -0.0002946100000000, 0.0001831100000000, 0.0005837800000000 ] - [ 0.0054293700000000, -0.0087222200000000, -0.0112084100000000 ] - [ -0.0000217200000000, 0.0006543600000000, -0.0015445800000000 ] - [ -0.0023013200000000, 0.0003482300000000, 0.0036858200000000 ] - [ 0.0007396200000000, 0.0001874500000000, 0.0013218900000000 ] - [ 0.0021437700000000, -0.0020499600000000, -0.0019251700000000 ] - [ -0.0026671000000000, -0.0018776900000000, 0.0020220300000000 ] - [ 0.0003655500000000, 0.0001815800000000, 0.0012646200000000 ] - [ 0.0005017100000000, -0.0000217400000000, 0.0008263100000000 ] - [ 0.0001302000000000, 0.0000241700000000, 0.0009995400000000 ] - [ -0.0001086400000000, 0.0001919400000000, 0.0009702300000000 ] - [ 0.0000185500000000, -0.0020164400000000, -0.0003268200000000 ] - [ -0.0006121000000000, -0.0015091800000000, -0.0001344700000000 ] - [ -0.0018018000000000, -0.0020297200000000, 0.0021282500000000 ] - [ 0.0014851800000000, -0.0001556600000000, 0.0011883800000000 ] - [ 0.0008120100000000, 0.0409288200000000, -0.0814339200000000 ] - [ -0.0000292900000000, 0.0006083600000000, -0.0006498700000000 ] - [ -0.0012134300000000, -0.0003155200000000, 0.0015232500000000 ] - [ -0.0004574500000000, -0.0005543600000000, 0.0014399400000000 ] - [ -0.0007663000000000, -0.0003236200000000, -0.0030022300000000 ] - [ -0.0005797200000000, 0.0001536000000000, -0.0007987300000000 ] - [ 0.0002933800000000, 0.0006698300000000, 0.0022585900000000 ] - [ -0.0006904700000000, 0.0001519500000000, 0.0023409200000000 ] - [ -0.0581817700000000, -0.0039026300000000, -0.0882575800000000 ] - [ -0.0011299500000000, 0.0002235800000000, -0.0009354300000000 ] - [ -0.0012529200000000, 0.0015302200000000, 0.0011862400000000 ] - [ -0.0007802400000000, 0.0013578900000000, 0.0010167700000000 ] - [ 0.0004036200000000, -0.0056344700000000, -0.0049152000000000 ] - [ -0.0016119600000000, -0.0017678400000000, -0.0007350300000000 ] - [ 0.0008274800000000, 0.0003511300000000, 0.0027814000000000 ] - [ -0.0014084800000000, -0.0004662100000000, 0.0040546200000000 ] - [ -0.0116974600000000, 0.0144952900000000, -0.0234547500000000 ] - [ -0.0000506500000000, 0.0000873800000000, -0.0020394000000000 ] - [ -0.0001506400000000, 0.0012244100000000, 0.0013831000000000 ] - [ 0.0004347600000000, 0.0012858700000000, 0.0012251400000000 ] - [ 0.0014072100000000, -0.0040021500000000, 0.0026515600000000 ] - [ -0.0008508300000000, -0.0005967400000000, 0.0011036400000000 ] - [ -0.0026034100000000, 0.0006228600000000, 0.0028805900000000 ] - [ 0.0041269500000000, 0.0010121900000000, -0.0014148000000000 ] - [ -0.0024267300000000, -0.0096018500000000, -0.0021996200000000 ] - [ 0.0007882800000000, 0.0002855900000000, -0.0015250100000000 ] - [ -0.2033477000000000, 0.1279949800000000, 0.5489309600000000 ] - [ 0.0013671700000000, -0.0004686200000000, 0.0029304600000000 ] - [ 0.0027514100000000, 0.0046109300000000, -0.0038752300000000 ] - [ -0.0022842500000000, 0.0013089400000000, -0.0038761100000000 ] - [ 0.0006637800000000, -0.0005134500000000, 0.0022178700000000 ] - [ -0.0001531600000000, 0.0003628100000000, 0.0007569800000000 ] - [ -0.0011655400000000, 0.0010961200000000, -0.0028925300000000 ] - [ 0.0005796500000000, 0.0007245900000000, -0.0021761700000000 ] - [ -0.0145857600000000, -0.0706052200000000, -0.0414044400000000 ] - [ 0.0017785400000000, -0.0016890100000000, 0.0022959500000000 ] - [ 0.0003620500000000, 0.0003747300000000, -0.0069690300000000 ] - [ -0.0002664200000000, 0.0008960200000000, -0.0058109300000000 ] - [ -0.0034461500000000, 0.0006145100000000, 0.0120769900000000 ] - [ 0.0013423500000000, 0.0005788100000000, 0.0016597800000000 ] - [ 0.0018247900000000, -0.0001819600000000, -0.0014956000000000 ] - [ -0.0014490600000000, 0.0002639400000000, -0.0014133800000000 ] - [ 0.0088663800000000, 0.0345584600000000, 0.0354561500000000 ] - [ -0.0004210600000000, -0.0009651000000000, 0.0023392800000000 ] - [ 0.0061326000000000, -0.0001343100000000, -0.0059663700000000 ] - [ -0.0033793400000000, -0.0012453700000000, -0.0033863400000000 ] - [ -0.0029583000000000, 0.0081651900000000, -0.0012727200000000 ] - [ 0.0039064300000000, 0.0016772500000000, -0.0007010500000000 ] - [ -0.0001000000000000, -0.0007154000000000, -0.0023532400000000 ] - [ 0.0000526900000000, -0.0008787100000000, -0.0024632400000000 ] - [ -0.0004333100000000, 0.0010091900000000, -0.0016965900000000 ] - [ -0.0000145400000000, 0.0003394400000000, 0.0000183900000000 ] - [ 0.0067013000000000, -0.0015747200000000, 0.0055836100000000 ] - [ 0.0032083500000000, 0.0051128000000000, 0.0045767900000000 ] - [ -0.0001982300000000, 0.0001608600000000, -0.0029053200000000 ] - [ 0.0002546200000000, 0.0001248800000000, -0.0010903200000000 ] - [ 0.0013096700000000, -0.0022498000000000, 0.0013471600000000 ] - [ -0.0009924300000000, -0.0016575500000000, 0.0000242500000000 ] - [ -0.0024747600000000, -0.0124294300000000, -0.0091949600000000 ] - [ 0.0009409500000000, -0.0009672500000000, 0.0008522500000000 ] - [ 0.0017785900000000, 0.0002573800000000, 0.0019088700000000 ] - [ -0.0019607300000000, 0.0018852500000000, 0.0007333600000000 ] - [ -0.0004062900000000, -0.0021142100000000, -0.0063780700000000 ] - [ 0.0002599700000000, -0.0007679400000000, -0.0021856700000000 ] - [ 0.0088322500000000, 0.0043051300000000, -0.0137009300000000 ] - [ -0.0037085800000000, 0.0027874700000000, -0.0024569600000000 ]- atom: 81 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0016351400000000, -0.0014625200000000, -0.0005708600000000 ] - [ -0.0019824500000000, 0.0009975500000000, 0.0012271500000000 ] - [ 0.0007077200000000, -0.0000759500000000, 0.0002173300000000 ] - [ -0.0005883000000000, 0.0000794600000000, -0.0003394600000000 ] - [ 0.0057277300000000, 0.0031198100000000, -0.0004489000000000 ] - [ -0.0024450200000000, -0.0008869300000000, 0.0001921400000000 ] - [ -0.0003735300000000, -0.0013190100000000, 0.0015770800000000 ] - [ 0.0003358500000000, 0.0014336900000000, -0.0015184500000000 ] - [ 0.0029314600000000, -0.0038886700000000, -0.0043115000000000 ] - [ -0.0039290400000000, 0.0015113500000000, 0.0028189800000000 ] - [ 0.0007777500000000, -0.0003877000000000, 0.0007637800000000 ] - [ -0.0018305100000000, 0.0003466000000000, -0.0000061300000000 ] - [ 0.0052280600000000, -0.0023571200000000, -0.0004444600000000 ] - [ -0.0019448900000000, 0.0006433800000000, 0.0008507900000000 ] - [ 0.0011371000000000, 0.0000680500000000, 0.0002885400000000 ] - [ -0.0001692600000000, -0.0000424800000000, -0.0007469500000000 ] - [ 0.3536611000000000, 0.0103766800000000, 0.1480633700000000 ] - [ -0.0076613800000000, -0.0001305100000000, -0.0015474400000000 ] - [ -0.0012986500000000, -0.0005468700000000, 0.0042157700000000 ] - [ -0.0018260300000000, -0.0000991500000000, -0.0008874000000000 ] - [ 0.0009092400000000, -0.0001138800000000, 0.0003414700000000 ] - [ 0.0000424800000000, -0.0000293400000000, 0.0005200800000000 ] - [ 0.0014039200000000, 0.0000005500000000, -0.0008376600000000 ] - [ -0.0004313000000000, 0.0000993100000000, -0.0001448600000000 ] - [ 0.3020843400000000, -0.0060179200000000, -0.1698319100000000 ] - [ -0.0071972300000000, -0.0001046700000000, 0.0010227500000000 ] - [ -0.0009173400000000, 0.0007070700000000, -0.0050242800000000 ] - [ -0.0018463000000000, 0.0002581200000000, 0.0011281600000000 ] - [ 0.0013877100000000, -0.0001642400000000, -0.0005938400000000 ] - [ -0.0007072100000000, 0.0000425200000000, 0.0001142500000000 ] - [ 0.0001934900000000, 0.0002496700000000, 0.0003868300000000 ] - [ 0.0004009700000000, -0.0001066100000000, -0.0000448300000000 ] - [ 0.0032695200000000, 0.0030192600000000, -0.0055092600000000 ] - [ -0.0041946300000000, -0.0007880400000000, 0.0035100400000000 ] - [ 0.0007517000000000, 0.0001850000000000, -0.0000519900000000 ] - [ -0.0013678500000000, -0.0003908800000000, 0.0001653400000000 ] - [ 0.0036500400000000, 0.0020046600000000, 0.0001597300000000 ] - [ -0.0028342500000000, -0.0014210800000000, 0.0001194300000000 ] - [ 0.0017647200000000, -0.0004755800000000, 0.0006357300000000 ] - [ -0.0011549700000000, -0.0002822300000000, -0.0011991000000000 ] - [ 0.0001684500000000, 0.0004998900000000, 0.0007806500000000 ] - [ -0.0003521600000000, -0.0010503700000000, -0.0004479800000000 ] - [ 0.0013932100000000, 0.0006147600000000, -0.0011389300000000 ] - [ -0.0011099900000000, 0.0000240900000000, 0.0002455200000000 ] - [ 0.0007117000000000, -0.0000103000000000, -0.0001984400000000 ] - [ -0.0005110300000000, -0.0001510200000000, -0.0001840300000000 ] - [ 0.0020642600000000, -0.0007487900000000, 0.0004313300000000 ] - [ -0.0014435900000000, 0.0004657000000000, 0.0006324400000000 ] - [ 0.0000137600000000, 0.0001714200000000, -0.0008263100000000 ] - [ -0.0007411100000000, -0.0002762700000000, 0.0007886600000000 ] - [ 0.0015364000000000, 0.0005262400000000, 0.0000375700000000 ] - [ -0.0018212700000000, -0.0002477700000000, -0.0001487400000000 ] - [ -0.0005944300000000, 0.0006724000000000, 0.0011956500000000 ] - [ 0.0006901100000000, -0.0009649000000000, -0.0015585700000000 ] - [ 0.0499650500000000, 0.0000943200000000, 0.0057899900000000 ] - [ -0.0023651600000000, -0.0003614100000000, -0.0007966400000000 ] - [ 0.0002476900000000, -0.0000641800000000, -0.0023027400000000 ] - [ -0.0009880200000000, 0.0016586800000000, 0.0009262000000000 ] - [ 0.0009311500000000, -0.0010640100000000, 0.0007086800000000 ] - [ -0.0017838400000000, -0.0007023900000000, 0.0004199300000000 ] - [ -0.0005300300000000, 0.0001046700000000, 0.0019527400000000 ] - [ 0.0005731000000000, 0.0018769800000000, -0.0013034200000000 ] - [ 0.0494435500000000, -0.0009091400000000, 0.0050661900000000 ] - [ -0.0024263300000000, -0.0004883800000000, -0.0014100200000000 ] - [ -0.0010452000000000, 0.0021512300000000, 0.0028899300000000 ] - [ -0.0006405200000000, -0.0019795500000000, -0.0044580300000000 ] - [ 0.0034878100000000, -0.0021942000000000, 0.0002295900000000 ] - [ -0.0036583700000000, 0.0010898900000000, 0.0006065600000000 ] - [ 0.0006292200000000, 0.0006204700000000, 0.0002036100000000 ] - [ -0.0002326100000000, 0.0002025000000000, 0.0001770400000000 ] - [ 0.0017766700000000, 0.0012347000000000, -0.0016653600000000 ] - [ -0.0022470300000000, -0.0013904700000000, 0.0011718600000000 ] - [ -0.0028400600000000, 0.0153016000000000, 0.0147205300000000 ] - [ 0.0058077700000000, -0.0006767800000000, -0.0014383500000000 ] - [ -0.0027730600000000, 0.0007497800000000, 0.0000452600000000 ] - [ 0.0020192200000000, 0.0001807300000000, -0.0005809000000000 ] - [ -0.0075585200000000, -0.0017137000000000, 0.0031105900000000 ] - [ 0.0046887900000000, 0.0005458400000000, -0.0016646800000000 ] - [ -0.0003788000000000, 0.0006955500000000, -0.0011291700000000 ] - [ 0.0008202000000000, -0.0000270400000000, 0.0021465600000000 ] - [ -0.7837102700000000, -0.0052089300000000, -0.0177653700000000 ] - [ 0.0107453200000000, -0.0002468200000000, 0.0015891000000000 ] - [ 0.0027526600000000, 0.0002715000000000, -0.0042123900000000 ] - [ 0.0027825900000000, 0.0001995500000000, 0.0031237600000000 ] - [ -0.0012931400000000, -0.0003822800000000, -0.0000589900000000 ] - [ 0.0012331500000000, -0.0000395900000000, -0.0015136500000000 ] - [ -0.0009440000000000, 0.0005914400000000, 0.0019897500000000 ] - [ 0.0009732900000000, -0.0000869100000000, -0.0000890900000000 ] - [ -0.0018885800000000, -0.0138880500000000, 0.0188537800000000 ] - [ 0.0068353800000000, -0.0003758200000000, -0.0018966400000000 ] - [ -0.0021171400000000, -0.0005360600000000, 0.0008925300000000 ] - [ 0.0017449000000000, 0.0003911500000000, -0.0005374000000000 ] - [ -0.0054928500000000, 0.0002766200000000, 0.0016906100000000 ] - [ 0.0046279200000000, -0.0007254200000000, -0.0016699900000000 ] - [ -0.0013646800000000, -0.0025119900000000, -0.0032848900000000 ] - [ 0.0016335800000000, 0.0029826300000000, 0.0035105800000000 ] - [ -0.0006452200000000, 0.0001175900000000, 0.0003967300000000 ] - [ 0.0003754100000000, 0.0001934900000000, -0.0001183600000000 ] - [ -0.0015856200000000, -0.0008752500000000, -0.0007933200000000 ] - [ 0.0012543800000000, 0.0004944000000000, 0.0004908400000000 ] - [ -0.0016575600000000, 0.0000982700000000, -0.0002564100000000 ] - [ 0.0014624900000000, 0.0002381800000000, 0.0001747100000000 ] - [ 0.0084606800000000, -0.0092315300000000, -0.0001933700000000 ] - [ 0.0084885500000000, 0.0091753000000000, 0.0006899500000000 ] - [ -0.0009850500000000, -0.0003392500000000, 0.0006887700000000 ] - [ 0.0007487500000000, -0.0008174000000000, 0.0002142800000000 ] - [ -0.0024865000000000, 0.0014933800000000, -0.0014919300000000 ] - [ 0.0021127400000000, -0.0004412400000000, 0.0006232500000000 ] - [ -0.0157148100000000, 0.0002625600000000, 0.0001088300000000 ] - [ 0.0040075400000000, -0.0006421800000000, -0.0000307300000000 ] - [ 0.0126702000000000, 0.0151341100000000, -0.0045518400000000 ] - [ 0.0127489700000000, -0.0140835200000000, 0.0061427000000000 ]- atom: 81 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0014790900000000, 0.0014361300000000, 0.0007150900000000 ] - [ 0.0021097400000000, -0.0010824900000000, -0.0011627700000000 ] - [ -0.0005963500000000, 0.0001499200000000, -0.0003038100000000 ] - [ 0.0007130000000000, -0.0000035500000000, 0.0002550400000000 ] - [ -0.0058356200000000, -0.0032157700000000, 0.0003761900000000 ] - [ 0.0023298000000000, 0.0008121900000000, -0.0002619600000000 ] - [ 0.0002567600000000, 0.0013913900000000, -0.0014932900000000 ] - [ -0.0004593500000000, -0.0013573800000000, 0.0015987900000000 ] - [ -0.0039433900000000, 0.0037471700000000, 0.0038745700000000 ] - [ 0.0028818700000000, -0.0016349600000000, -0.0032094200000000 ] - [ -0.0018593000000000, 0.0004966500000000, -0.0004074200000000 ] - [ 0.0007617200000000, -0.0002411800000000, 0.0003805100000000 ] - [ -0.0041781200000000, 0.0022483200000000, 0.0008282600000000 ] - [ 0.0030094600000000, -0.0007420900000000, -0.0004766300000000 ] - [ -0.0000609600000000, 0.0000389300000000, -0.0006625700000000 ] - [ 0.0012371800000000, 0.0001478400000000, 0.0003702100000000 ] - [ -0.3734090800000000, -0.0113222400000000, -0.1612344200000000 ] - [ 0.0066988500000000, 0.0000038300000000, 0.0006951200000000 ] - [ 0.0003711100000000, 0.0006865000000000, -0.0033760400000000 ] - [ 0.0008687700000000, 0.0002255600000000, 0.0017466600000000 ] - [ 0.0000443100000000, -0.0000131200000000, 0.0005159900000000 ] - [ 0.0008985700000000, -0.0000974000000000, 0.0003326900000000 ] - [ -0.0004617500000000, 0.0001226800000000, -0.0000200900000000 ] - [ 0.0013802400000000, 0.0000261800000000, -0.0007153000000000 ] - [ -0.2897389800000000, 0.0054451400000000, 0.1583756800000000 ] - [ 0.0065804400000000, -0.0000416300000000, -0.0005273000000000 ] - [ 0.0002798600000000, -0.0005476200000000, 0.0045201400000000 ] - [ 0.0012376400000000, -0.0001107400000000, -0.0016119500000000 ] - [ -0.0007676600000000, 0.0000182900000000, 0.0001054200000000 ] - [ 0.0013259700000000, -0.0001880400000000, -0.0006061300000000 ] - [ 0.0004318000000000, -0.0001045900000000, 0.0001005100000000 ] - [ 0.0002145900000000, 0.0002517100000000, 0.0005302700000000 ] - [ -0.0037974000000000, -0.0027395900000000, 0.0051976800000000 ] - [ 0.0036239700000000, 0.0010580800000000, -0.0037863800000000 ] - [ -0.0013492700000000, -0.0004401400000000, 0.0003092500000000 ] - [ 0.0007751100000000, 0.0001348000000000, 0.0000926900000000 ] - [ -0.0030714200000000, -0.0017509600000000, 0.0001075900000000 ] - [ 0.0034239700000000, 0.0016756600000000, 0.0001498500000000 ] - [ -0.0011515800000000, 0.0002062200000000, -0.0009002300000000 ] - [ 0.0017419300000000, 0.0000248300000000, 0.0009346300000000 ] - [ -0.0003294400000000, -0.0006339400000000, -0.0003481500000000 ] - [ 0.0001840100000000, 0.0009157400000000, 0.0008781800000000 ] - [ -0.0015635900000000, -0.0004911300000000, 0.0007129700000000 ] - [ 0.0009434500000000, 0.0001090400000000, -0.0006718900000000 ] - [ -0.0005505300000000, -0.0001135000000000, -0.0002370100000000 ] - [ 0.0006789200000000, 0.0000236800000000, -0.0002502400000000 ] - [ -0.0018228600000000, 0.0008898600000000, 0.0000615600000000 ] - [ 0.0016133900000000, -0.0003360300000000, -0.0002098400000000 ] - [ -0.0007636700000000, -0.0002912100000000, 0.0009190200000000 ] - [ -0.0000038300000000, 0.0001576100000000, -0.0006974700000000 ] - [ -0.0022798200000000, -0.0004156100000000, -0.0001208800000000 ] - [ 0.0010722300000000, 0.0003700600000000, 0.0000551400000000 ] - [ 0.0013516800000000, -0.0007941300000000, -0.0012971900000000 ] - [ 0.0000514100000000, 0.0008453800000000, 0.0014597200000000 ] - [ -0.0493723000000000, -0.0008254400000000, -0.0065982700000000 ] - [ 0.0031137700000000, 0.0004790100000000, 0.0008887400000000 ] - [ -0.0012325800000000, 0.0018109300000000, 0.0012583500000000 ] - [ 0.0000135000000000, 0.0000912600000000, -0.0019691000000000 ] - [ -0.0019076000000000, -0.0006848500000000, 0.0003384300000000 ] - [ 0.0008021300000000, -0.0010490500000000, 0.0006226000000000 ] - [ 0.0015212800000000, 0.0016534100000000, -0.0009235800000000 ] - [ 0.0004032500000000, -0.0001182600000000, 0.0023342000000000 ] - [ -0.0486222100000000, -0.0001270400000000, -0.0070320300000000 ] - [ 0.0034080200000000, -0.0012628500000000, 0.0003657600000000 ] - [ 0.0006420500000000, -0.0013968600000000, -0.0035113200000000 ] - [ 0.0002085300000000, 0.0027230600000000, 0.0038266400000000 ] - [ -0.0038968500000000, 0.0014527800000000, 0.0004023600000000 ] - [ 0.0032409800000000, -0.0018440100000000, 0.0000292600000000 ] - [ -0.0002186800000000, 0.0001360400000000, 0.0004196400000000 ] - [ 0.0006502200000000, 0.0005525800000000, 0.0004431400000000 ] - [ -0.0013257200000000, -0.0020365000000000, 0.0011188600000000 ] - [ 0.0026702900000000, 0.0006436100000000, -0.0018183600000000 ] - [ 0.0022711100000000, -0.0159420700000000, -0.0139534300000000 ] - [ -0.0061529800000000, 0.0000522800000000, 0.0021086300000000 ] - [ 0.0024733300000000, -0.0001259800000000, -0.0006757200000000 ] - [ -0.0023476600000000, 0.0004448100000000, -0.0000571500000000 ] - [ 0.0078949100000000, 0.0011238700000000, -0.0037727500000000 ] - [ -0.0043657500000000, -0.0011795600000000, 0.0010094700000000 ] - [ 0.0006878100000000, -0.0000661900000000, 0.0017752300000000 ] - [ -0.0004960800000000, 0.0006531100000000, -0.0014966700000000 ] - [ 0.7900416600000000, 0.0061084500000000, 0.0452940100000000 ] - [ -0.0107436300000000, -0.0001834400000000, 0.0000295500000000 ] - [ -0.0027918200000000, 0.0001561000000000, 0.0026140200000000 ] - [ -0.0027622200000000, 0.0002264700000000, -0.0047230400000000 ] - [ 0.0012894500000000, -0.0000473900000000, -0.0015625900000000 ] - [ -0.0012215200000000, -0.0003955100000000, -0.0000925100000000 ] - [ 0.0009564800000000, -0.0001541600000000, -0.0003711300000000 ] - [ -0.0009737600000000, 0.0005210000000000, 0.0017059500000000 ] - [ 0.0012869700000000, 0.0137500200000000, -0.0186881300000000 ] - [ -0.0072008500000000, 0.0002232400000000, 0.0019857600000000 ] - [ 0.0017880000000000, 0.0006800500000000, -0.0009432800000000 ] - [ -0.0020866200000000, -0.0002448500000000, 0.0004883600000000 ] - [ 0.0058429400000000, -0.0004471900000000, -0.0017631200000000 ] - [ -0.0042875700000000, 0.0005718100000000, 0.0016003200000000 ] - [ 0.0016748300000000, 0.0026665600000000, 0.0033354900000000 ] - [ -0.0012858500000000, -0.0028236900000000, -0.0034489200000000 ] - [ 0.0003390300000000, 0.0002549500000000, -0.0003423500000000 ] - [ -0.0006735900000000, 0.0001759100000000, 0.0001806900000000 ] - [ 0.0012986100000000, 0.0005070300000000, 0.0007365100000000 ] - [ -0.0015549900000000, -0.0008567100000000, -0.0005432700000000 ] - [ 0.0019600100000000, 0.0002598600000000, 0.0002052900000000 ] - [ -0.0011603000000000, 0.0001278600000000, -0.0002327200000000 ] - [ -0.0081525700000000, 0.0088263200000000, 0.0002271300000000 ] - [ -0.0081838000000000, -0.0095625400000000, -0.0006598800000000 ] - [ 0.0007714700000000, -0.0008429800000000, 0.0000156600000000 ] - [ -0.0009544600000000, -0.0003601400000000, 0.0004975400000000 ] - [ 0.0022976000000000, -0.0003164500000000, 0.0007977300000000 ] - [ -0.0023255900000000, 0.0016133800000000, -0.0013125300000000 ] - [ 0.0159261300000000, -0.0014129700000000, -0.0007535600000000 ] - [ -0.0037971300000000, -0.0005373300000000, -0.0006865400000000 ] - [ -0.0124394500000000, -0.0138992300000000, 0.0051777600000000 ] - [ -0.0125589200000000, 0.0153071100000000, -0.0055121900000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0041589200000000, -0.0081659400000000, -0.0143079200000000 ] - [ 0.0002530800000000, 0.0002423700000000, -0.0004337000000000 ] - [ -0.0004367500000000, 0.0011026100000000, 0.0010141000000000 ] - [ 0.0010014400000000, 0.0012552100000000, 0.0009819700000000 ] - [ 0.0005139300000000, -0.0070237900000000, -0.0021756800000000 ] - [ -0.0000764100000000, -0.0003749100000000, -0.0002025400000000 ] - [ -0.0003302700000000, -0.0007294100000000, 0.0005435800000000 ] - [ 0.0005173300000000, -0.0007488000000000, 0.0006418800000000 ] - [ -0.0194498400000000, -0.0032877700000000, -0.0061262900000000 ] - [ 0.0021243000000000, 0.0008874300000000, -0.0006584500000000 ] - [ -0.0015529600000000, 0.0012419000000000, 0.0001015200000000 ] - [ -0.0004536800000000, 0.0006484500000000, 0.0004515700000000 ] - [ -0.0007427600000000, -0.0046157200000000, -0.0008958700000000 ] - [ 0.0018870400000000, -0.0010981500000000, -0.0001961600000000 ] - [ -0.0001628700000000, -0.0007394800000000, -0.0004162800000000 ] - [ 0.0004848200000000, -0.0004133300000000, -0.0001042200000000 ] - [ 0.0108653300000000, 0.0528602800000000, 0.0064429200000000 ] - [ -0.0005512500000000, 0.0013061100000000, -0.0004007500000000 ] - [ -0.0003898800000000, 0.0010884300000000, 0.0005297000000000 ] - [ -0.0003538700000000, 0.0005020600000000, 0.0005471000000000 ] - [ 0.0004147000000000, -0.0027799900000000, 0.0006271700000000 ] - [ 0.0004871900000000, -0.0015600100000000, 0.0003918500000000 ] - [ 0.0002687600000000, -0.0011632800000000, 0.0000105000000000 ] - [ 0.0007046400000000, -0.0004009900000000, -0.0002085700000000 ] - [ -0.0075614300000000, 0.0542965800000000, 0.0068891400000000 ] - [ -0.0001767700000000, 0.0008001300000000, 0.0003127100000000 ] - [ -0.0003399100000000, 0.0011194400000000, -0.0001872800000000 ] - [ -0.0004644800000000, 0.0006374500000000, 0.0001502600000000 ] - [ 0.0002073800000000, -0.0036377700000000, 0.0000363000000000 ] - [ 0.0005345800000000, -0.0010704300000000, -0.0002703000000000 ] - [ 0.0005057700000000, -0.0011414800000000, 0.0006112800000000 ] - [ 0.0000023900000000, -0.0005613300000000, 0.0007449500000000 ] - [ 0.0160689500000000, -0.0018961600000000, 0.0058271500000000 ] - [ -0.0025064600000000, 0.0010104500000000, 0.0001612100000000 ] - [ 0.0000384000000000, 0.0001711300000000, -0.0006873000000000 ] - [ -0.0006971900000000, 0.0001062800000000, -0.0002739300000000 ] - [ 0.0005375900000000, -0.0044616200000000, 0.0021008800000000 ] - [ -0.0008730000000000, -0.0007520600000000, 0.0013677800000000 ] - [ 0.0008374300000000, -0.0004255800000000, -0.0005413100000000 ] - [ 0.0000361000000000, -0.0002696200000000, -0.0002836600000000 ] - [ 0.0000331700000000, -0.0016221800000000, -0.0000876600000000 ] - [ -0.0001871800000000, -0.0012604200000000, 0.0000526200000000 ] - [ -0.0002652700000000, -0.0100625900000000, -0.0003889800000000 ] - [ -0.0001195300000000, -0.0018108900000000, -0.0002897400000000 ] - [ 0.0001876400000000, 0.0022290600000000, -0.0009119700000000 ] - [ -0.0000201500000000, 0.0016373300000000, -0.0005559900000000 ] - [ -0.0002976500000000, 0.0384139300000000, -0.0017130300000000 ] - [ 0.0001087900000000, 0.0027875500000000, 0.0000267900000000 ] - [ -0.0005710800000000, -0.0010165500000000, 0.0006578900000000 ] - [ -0.0006420400000000, -0.0009548500000000, 0.0005694900000000 ] - [ 0.0007969300000000, -0.0063507100000000, 0.0027795600000000 ] - [ 0.0000376900000000, -0.0010286200000000, 0.0005861600000000 ] - [ 0.0002610200000000, 0.0010020700000000, 0.0005735900000000 ] - [ -0.0000389100000000, 0.0010581300000000, 0.0005289700000000 ] - [ -0.0139643400000000, 0.1415272400000000, 0.0641294100000000 ] - [ 0.0010364900000000, 0.0015947700000000, 0.0009345800000000 ] - [ -0.0006147300000000, 0.0004406600000000, -0.0006664700000000 ] - [ -0.0001355200000000, 0.0003787400000000, -0.0008225200000000 ] - [ -0.0011257000000000, -0.0064764100000000, -0.0010471400000000 ] - [ -0.0006300600000000, -0.0017302000000000, 0.0002461000000000 ] - [ 0.0005691600000000, 0.0015927300000000, -0.0001240900000000 ] - [ 0.0009625300000000, 0.0016981000000000, -0.0003493400000000 ] - [ 0.0143324800000000, 0.1181663800000000, -0.0595772500000000 ] - [ 0.0000484200000000, 0.0003778100000000, -0.0011313400000000 ] - [ 0.0001765500000000, 0.0004443500000000, -0.0004709500000000 ] - [ -0.0008480600000000, 0.0002671000000000, -0.0006992500000000 ] - [ -0.0003175900000000, -0.0057117700000000, 0.0028679800000000 ] - [ -0.0005965300000000, -0.0005541200000000, 0.0006012900000000 ] - [ 0.0007484400000000, 0.0006348000000000, -0.0011611600000000 ] - [ -0.0005610600000000, 0.0006906300000000, -0.0014112900000000 ] - [ 0.0045325300000000, -0.0060212400000000, 0.0146459900000000 ] - [ -0.0000550100000000, 0.0000259400000000, 0.0000525500000000 ] - [ 0.0530949400000000, 0.0029738700000000, 0.0707404100000000 ] - [ -0.0025461000000000, -0.0030869400000000, 0.0018027100000000 ] - [ 0.0009469200000000, -0.0032887300000000, -0.0004861500000000 ] - [ -0.0004462200000000, -0.0025134500000000, -0.0010032500000000 ] - [ 0.0004058000000000, 0.0183564600000000, 0.0005636000000000 ] - [ -0.0012217400000000, 0.0015173500000000, 0.0004697500000000 ] - [ 0.0009891000000000, 0.0025614800000000, 0.0003676900000000 ] - [ 0.0001509500000000, 0.0022318800000000, -0.0000771900000000 ] - [ -0.0063546200000000, -0.3904581800000000, -0.0206325900000000 ] - [ -0.0000345800000000, -0.0029978700000000, 0.0004604300000000 ] - [ 0.0000043600000000, -0.0011597500000000, -0.0010932300000000 ] - [ -0.0000547600000000, -0.0011605300000000, -0.0008531900000000 ] - [ 0.0001747400000000, 0.0105618900000000, -0.0016261100000000 ] - [ -0.0001774300000000, 0.0017156200000000, -0.0011334100000000 ] - [ 0.0003784800000000, 0.0014852400000000, 0.0001071700000000 ] - [ -0.0003023000000000, 0.0013733000000000, 0.0003311200000000 ] - [ -0.0496079100000000, -0.0086672700000000, -0.0654219900000000 ] - [ 0.0018924400000000, -0.0029218200000000, -0.0011622600000000 ] - [ -0.0012199300000000, -0.0019956600000000, 0.0018112100000000 ] - [ 0.0007113800000000, -0.0018614900000000, 0.0013886800000000 ] - [ 0.0010700400000000, 0.0148738900000000, -0.0028870100000000 ] - [ 0.0015552300000000, 0.0016247200000000, -0.0009645900000000 ] - [ -0.0010921200000000, 0.0013983800000000, 0.0005579800000000 ] - [ 0.0007925800000000, 0.0013369600000000, 0.0006614000000000 ] - [ -0.0005439100000000, 0.0003791800000000, -0.0022938000000000 ] - [ -0.0000336000000000, 0.0001917300000000, -0.0001408500000000 ] - [ -0.0033844200000000, 0.0033829800000000, 0.0015114400000000 ] - [ 0.0020205000000000, 0.0023272700000000, 0.0006305700000000 ] - [ -0.0000380500000000, 0.0001182200000000, -0.0012152800000000 ] - [ 0.0002195800000000, 0.0002202400000000, -0.0000516600000000 ] - [ -0.0039276100000000, 0.0001238600000000, 0.0029220900000000 ] - [ 0.0028271600000000, -0.0006015600000000, 0.0013854300000000 ] - [ 0.0004054900000000, 0.0030679200000000, 0.0026154900000000 ] - [ -0.0002644300000000, 0.0005762500000000, 0.0008125900000000 ] - [ 0.0041261200000000, 0.0062066400000000, -0.0038589100000000 ] - [ -0.0025323600000000, 0.0036097100000000, -0.0015560300000000 ] - [ 0.0004396600000000, -0.0035268000000000, 0.0072975200000000 ] - [ 0.0000339500000000, -0.0014090900000000, -0.0002008100000000 ] - [ 0.0075622700000000, 0.0008566700000000, -0.0061463900000000 ] - [ -0.0058734700000000, 0.0002520100000000, -0.0035926700000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0043305100000000, 0.0081897300000000, 0.0145360600000000 ] - [ -0.0001359800000000, -0.0003162900000000, 0.0005116700000000 ] - [ 0.0005517900000000, -0.0010307400000000, -0.0010922100000000 ] - [ -0.0008780500000000, -0.0011775300000000, -0.0010611500000000 ] - [ -0.0006387900000000, 0.0070493600000000, 0.0021170300000000 ] - [ -0.0000402000000000, 0.0002971100000000, 0.0001296700000000 ] - [ 0.0002076200000000, 0.0008112300000000, -0.0004672400000000 ] - [ -0.0006309900000000, 0.0008291500000000, -0.0005621600000000 ] - [ 0.0183961100000000, 0.0031859500000000, 0.0057176200000000 ] - [ -0.0031959100000000, -0.0009842700000000, 0.0002842500000000 ] - [ 0.0004766400000000, -0.0011336200000000, 0.0002705900000000 ] - [ -0.0006165300000000, -0.0005427500000000, -0.0000737800000000 ] - [ 0.0018397600000000, 0.0045296500000000, 0.0012559200000000 ] - [ -0.0008241900000000, 0.0009957400000000, 0.0005695800000000 ] - [ 0.0012309700000000, 0.0008461100000000, 0.0000459300000000 ] - [ 0.0005880100000000, 0.0005204400000000, -0.0002692300000000 ] - [ -0.0098197500000000, -0.0527453000000000, -0.0061360200000000 ] - [ -0.0003926700000000, -0.0014348400000000, -0.0004555300000000 ] - [ -0.0005538200000000, -0.0009538200000000, 0.0003185000000000 ] - [ -0.0005998900000000, -0.0003755700000000, 0.0003101300000000 ] - [ 0.0005251500000000, 0.0026569500000000, 0.0002148000000000 ] - [ 0.0004653600000000, 0.0014336600000000, 0.0004621700000000 ] - [ 0.0006748100000000, 0.0012865300000000, -0.0008663500000000 ] - [ 0.0002453000000000, 0.0005268700000000, -0.0006481400000000 ] - [ 0.0052470700000000, -0.0542607300000000, -0.0050117900000000 ] - [ -0.0004475300000000, -0.0009483200000000, 0.0001762900000000 ] - [ -0.0002861400000000, -0.0009643100000000, -0.0003145600000000 ] - [ -0.0001495300000000, -0.0004905400000000, -0.0006386900000000 ] - [ 0.0004136300000000, 0.0034955400000000, -0.0005438300000000 ] - [ 0.0000850100000000, 0.0009251400000000, -0.0002203800000000 ] - [ 0.0001180500000000, 0.0012854200000000, -0.0001203700000000 ] - [ 0.0006143700000000, 0.0007072100000000, -0.0002569700000000 ] - [ -0.0166283300000000, 0.0021443300000000, -0.0061100000000000 ] - [ 0.0019117900000000, -0.0007631100000000, -0.0004261100000000 ] - [ -0.0006331700000000, -0.0004254300000000, 0.0009532400000000 ] - [ 0.0001039200000000, -0.0003625000000000, 0.0005375500000000 ] - [ 0.0000724300000000, 0.0047124200000000, -0.0018447400000000 ] - [ 0.0014666800000000, 0.0010134900000000, -0.0011003500000000 ] - [ -0.0002359900000000, 0.0001588200000000, 0.0002839400000000 ] - [ 0.0005606600000000, 0.0000106100000000, 0.0000226600000000 ] - [ -0.0002015800000000, 0.0014934700000000, 0.0005207400000000 ] - [ 0.0000224400000000, 0.0011297400000000, 0.0003781300000000 ] - [ 0.0001036200000000, 0.0102265000000000, -0.0000496400000000 ] - [ -0.0000470900000000, 0.0019458800000000, -0.0001351000000000 ] - [ -0.0000228200000000, -0.0023537600000000, 0.0004870800000000 ] - [ 0.0001864400000000, -0.0017650300000000, 0.0001289300000000 ] - [ 0.0004054200000000, -0.0382751800000000, 0.0020730500000000 ] - [ 0.0000566400000000, -0.0026603600000000, 0.0003978800000000 ] - [ -0.0001801000000000, 0.0008983700000000, -0.0005601400000000 ] - [ -0.0001105500000000, 0.0008371700000000, -0.0004715500000000 ] - [ -0.0015605400000000, 0.0064950700000000, -0.0029132100000000 ] - [ -0.0007880800000000, 0.0011476600000000, -0.0006808800000000 ] - [ 0.0004917100000000, -0.0011207700000000, -0.0006697100000000 ] - [ 0.0007852800000000, -0.0011757800000000, -0.0006229900000000 ] - [ 0.0152907000000000, -0.1341303900000000, -0.0574851600000000 ] - [ -0.0002863200000000, -0.0014767800000000, -0.0008393400000000 ] - [ -0.0003708200000000, 0.0013081200000000, -0.0003683700000000 ] - [ -0.0008489200000000, 0.0013712300000000, -0.0002113500000000 ] - [ 0.0001352300000000, 0.0047223500000000, 0.0020632500000000 ] - [ -0.0003521100000000, -0.0000152300000000, 0.0007954000000000 ] - [ 0.0004179800000000, 0.0001596100000000, 0.0011599500000000 ] - [ 0.0000182800000000, 0.0000563600000000, 0.0013854700000000 ] - [ -0.0127773900000000, -0.1249375900000000, 0.0645085000000000 ] - [ 0.0009342300000000, -0.0021302100000000, 0.0000922200000000 ] - [ -0.0005926000000000, 0.0003075400000000, -0.0001486600000000 ] - [ 0.0004310700000000, 0.0004805200000000, 0.0000786800000000 ] - [ -0.0001010600000000, 0.0049213900000000, -0.0022216900000000 ] - [ 0.0001773400000000, -0.0001964200000000, 0.0000296400000000 ] - [ -0.0003362400000000, 0.0001252100000000, 0.0017883400000000 ] - [ 0.0009781500000000, 0.0000668000000000, 0.0020374900000000 ] - [ -0.0040680000000000, 0.0051797500000000, -0.0151071200000000 ] - [ 0.0004688800000000, -0.0007828400000000, -0.0006820200000000 ] - [ -0.0534680400000000, -0.0033250900000000, -0.0698178300000000 ] - [ 0.0022329400000000, 0.0024603500000000, -0.0011561700000000 ] - [ -0.0012565100000000, 0.0039136100000000, -0.0001625900000000 ] - [ 0.0001259700000000, 0.0031357200000000, 0.0003559600000000 ] - [ -0.0001215600000000, -0.0191241200000000, -0.0011236600000000 ] - [ 0.0015455500000000, -0.0021439800000000, -0.0011229700000000 ] - [ -0.0006623300000000, -0.0019451100000000, 0.0002729800000000 ] - [ 0.0001652100000000, -0.0016106200000000, 0.0007172700000000 ] - [ 0.0049521000000000, 0.3871153000000000, 0.0064385200000000 ] - [ 0.0000291200000000, 0.0025697100000000, 0.0011443100000000 ] - [ -0.0000222100000000, 0.0015902400000000, -0.0005116600000000 ] - [ 0.0000611500000000, 0.0015893900000000, -0.0007518000000000 ] - [ -0.0001607500000000, -0.0110112700000000, 0.0000722000000000 ] - [ 0.0001780300000000, -0.0021529900000000, -0.0004755800000000 ] - [ -0.0003673500000000, -0.0010507800000000, 0.0014984100000000 ] - [ 0.0003052900000000, -0.0009404800000000, 0.0012732300000000 ] - [ 0.0491851900000000, 0.0083350200000000, 0.0656614800000000 ] - [ -0.0022258300000000, 0.0027748200000000, 0.0012252500000000 ] - [ 0.0008873600000000, 0.0021373100000000, -0.0018743900000000 ] - [ -0.0010496600000000, 0.0020123700000000, -0.0014486400000000 ] - [ -0.0007387400000000, -0.0150020800000000, 0.0028620800000000 ] - [ -0.0012186700000000, -0.0017870600000000, 0.0008985300000000 ] - [ 0.0014287700000000, -0.0012403500000000, -0.0005165200000000 ] - [ -0.0004599200000000, -0.0011802300000000, -0.0006098700000000 ] - [ 0.0002394300000000, -0.0000085500000000, 0.0023336300000000 ] - [ -0.0002643600000000, 0.0001794300000000, 0.0001968900000000 ] - [ 0.0030910300000000, -0.0037695600000000, -0.0015579800000000 ] - [ -0.0023192300000000, -0.0026997200000000, -0.0006859400000000 ] - [ 0.0003355200000000, 0.0002400400000000, 0.0011440100000000 ] - [ 0.0000807300000000, 0.0001444800000000, -0.0000052700000000 ] - [ 0.0042262800000000, -0.0004436700000000, -0.0028589700000000 ] - [ -0.0025172700000000, 0.0002775200000000, -0.0013295000000000 ] - [ -0.0006168900000000, -0.0042588300000000, -0.0019170000000000 ] - [ 0.0000555700000000, -0.0017586700000000, -0.0001085900000000 ] - [ -0.0043292400000000, -0.0050067400000000, 0.0031837000000000 ] - [ 0.0023216300000000, -0.0024235400000000, 0.0008641200000000 ] - [ -0.0002401000000000, 0.0024343400000000, -0.0079770400000000 ] - [ 0.0001761800000000, 0.0002370600000000, -0.0005033200000000 ] - [ -0.0073166200000000, 0.0002892800000000, 0.0068359100000000 ] - [ 0.0060548100000000, 0.0008932600000000, 0.0042809900000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0005037300000000, -0.0082515200000000, -0.0074758300000000 ] - [ -0.0002014100000000, 0.0003369300000000, 0.0003261400000000 ] - [ 0.0005775300000000, -0.0004260700000000, -0.0024543900000000 ] - [ -0.0014193000000000, -0.0006018300000000, -0.0023821900000000 ] - [ -0.0012865700000000, -0.0075749400000000, 0.0054369200000000 ] - [ -0.0007770000000000, -0.0010092400000000, 0.0008249800000000 ] - [ -0.0000459500000000, 0.0010351500000000, -0.0012060100000000 ] - [ -0.0001000400000000, 0.0011097500000000, -0.0010154700000000 ] - [ -0.0174793000000000, -0.0056673400000000, 0.0024875500000000 ] - [ 0.0009332700000000, 0.0004333200000000, 0.0018177600000000 ] - [ -0.0008326900000000, 0.0000859000000000, -0.0043307200000000 ] - [ -0.0012697600000000, -0.0000338800000000, -0.0014779400000000 ] - [ 0.0015848400000000, 0.0001200800000000, 0.0050088700000000 ] - [ -0.0003644900000000, 0.0000128100000000, 0.0016745500000000 ] - [ 0.0002140000000000, 0.0000906300000000, -0.0015504500000000 ] - [ 0.0002293000000000, 0.0000178700000000, -0.0011176600000000 ] - [ 0.1525419000000000, 0.0069296700000000, 0.1335836600000000 ] - [ 0.0010557700000000, -0.0000094800000000, 0.0015263100000000 ] - [ 0.0025888600000000, 0.0016072000000000, -0.0033495400000000 ] - [ -0.0014360700000000, 0.0001497700000000, -0.0009936500000000 ] - [ 0.0002546400000000, -0.0003704000000000, 0.0009455700000000 ] - [ 0.0015633500000000, 0.0000132800000000, 0.0011780700000000 ] - [ 0.0017453600000000, 0.0001880300000000, -0.0021271800000000 ] - [ 0.0003430100000000, -0.0000078000000000, -0.0015229100000000 ] - [ -0.1574275700000000, 0.0055058300000000, 0.1739461100000000 ] - [ -0.0025274800000000, 0.0000624000000000, 0.0019581000000000 ] - [ -0.0033644600000000, 0.0017324100000000, -0.0044887300000000 ] - [ 0.0006391900000000, 0.0002036900000000, -0.0018385800000000 ] - [ -0.0000188300000000, -0.0004874900000000, 0.0004662300000000 ] - [ -0.0001796700000000, 0.0001054000000000, 0.0005211600000000 ] - [ -0.0009027000000000, 0.0001399600000000, -0.0014676200000000 ] - [ 0.0004856900000000, 0.0000243100000000, -0.0012887500000000 ] - [ -0.0198523500000000, 0.0071040500000000, 0.0024851900000000 ] - [ 0.0008221700000000, 0.0000705300000000, 0.0028109000000000 ] - [ -0.0001266200000000, -0.0001660800000000, -0.0022311200000000 ] - [ -0.0009039500000000, -0.0001339100000000, -0.0012832000000000 ] - [ 0.0006627000000000, -0.0006003600000000, 0.0043907600000000 ] - [ 0.0001423400000000, 0.0007688600000000, 0.0027664800000000 ] - [ 0.0017299600000000, -0.0019379100000000, -0.0021022300000000 ] - [ -0.0006439500000000, -0.0005493300000000, -0.0017220000000000 ] - [ 0.0000383100000000, -0.0011886400000000, -0.0002711600000000 ] - [ -0.0002340400000000, -0.0013092600000000, -0.0005150500000000 ] - [ -0.0006653000000000, -0.0014941200000000, 0.0020900700000000 ] - [ -0.0002626300000000, -0.0000412000000000, 0.0004138600000000 ] - [ 0.0005907800000000, 0.0002035700000000, -0.0025459400000000 ] - [ -0.0003409400000000, -0.0002203200000000, -0.0018672200000000 ] - [ -0.0103760800000000, -0.0023282600000000, -0.0108974000000000 ] - [ 0.0003700000000000, 0.0004389500000000, 0.0006162600000000 ] - [ 0.0002323400000000, 0.0004127700000000, -0.0016974700000000 ] - [ -0.0000494600000000, 0.0004179500000000, -0.0016020400000000 ] - [ 0.0010189800000000, -0.0004548700000000, 0.0040546800000000 ] - [ 0.0000082400000000, -0.0007358000000000, 0.0014860200000000 ] - [ 0.0016308100000000, -0.0013967700000000, -0.0032065400000000 ] - [ 0.0010524500000000, -0.0012293200000000, -0.0033652700000000 ] - [ -0.0003691100000000, 0.0730679100000000, 0.0952557600000000 ] - [ 0.0011401000000000, 0.0015310600000000, 0.0026843100000000 ] - [ 0.0001382400000000, -0.0006267800000000, -0.0032862200000000 ] - [ 0.0005003300000000, -0.0003533100000000, -0.0030999400000000 ] - [ 0.0006356800000000, -0.0013972800000000, 0.0038803300000000 ] - [ 0.0000743000000000, -0.0003559600000000, 0.0021358900000000 ] - [ 0.0018004800000000, 0.0021542000000000, -0.0028457400000000 ] - [ 0.0012470400000000, 0.0022625400000000, -0.0032302200000000 ] - [ -0.0016586100000000, -0.0769064200000000, 0.1069510000000000 ] - [ 0.0010434700000000, -0.0018361800000000, 0.0020076800000000 ] - [ 0.0005373000000000, -0.0015266300000000, -0.0032127700000000 ] - [ -0.0025572900000000, -0.0024585200000000, -0.0030981900000000 ] - [ -0.0014880200000000, 0.0035855600000000, 0.0040225700000000 ] - [ -0.0017271700000000, 0.0009943900000000, 0.0012378500000000 ] - [ 0.0006881000000000, 0.0007224100000000, -0.0018566300000000 ] - [ -0.0008595100000000, 0.0007728400000000, -0.0020267500000000 ] - [ -0.0016559300000000, 0.0073379600000000, -0.0112691200000000 ] - [ -0.0004161800000000, -0.0008634400000000, 0.0000690600000000 ] - [ 0.0391213900000000, 0.0368127700000000, 0.0424477400000000 ] - [ -0.0015782000000000, -0.0010029800000000, -0.0011596300000000 ] - [ -0.0008332800000000, -0.0002698100000000, 0.0058340700000000 ] - [ 0.0006535500000000, 0.0012734500000000, 0.0046803400000000 ] - [ 0.0012164100000000, 0.0030203800000000, -0.0131362600000000 ] - [ 0.0007144900000000, 0.0010067200000000, -0.0027879500000000 ] - [ 0.0002241000000000, 0.0003120900000000, 0.0025423300000000 ] - [ 0.0002738400000000, 0.0001398900000000, 0.0026230100000000 ] - [ -0.0333266500000000, -0.0129418100000000, -0.6012210300000000 ] - [ 0.0007741000000000, -0.0005568000000000, -0.0058310800000000 ] - [ -0.0039023500000000, 0.0001655000000000, 0.0056079100000000 ] - [ 0.0033892400000000, -0.0000732500000000, 0.0056067300000000 ] - [ 0.0007537900000000, 0.0006338000000000, -0.0028528400000000 ] - [ -0.0007080800000000, 0.0001125300000000, -0.0036751900000000 ] - [ -0.0011783400000000, 0.0009095200000000, 0.0048482300000000 ] - [ 0.0009014300000000, 0.0006860400000000, 0.0043994100000000 ] - [ 0.0490484800000000, -0.0328652400000000, 0.0559157800000000 ] - [ -0.0007868700000000, -0.0000917300000000, -0.0015525000000000 ] - [ -0.0017779500000000, 0.0004088600000000, 0.0050189900000000 ] - [ 0.0006090400000000, -0.0002259100000000, 0.0041974200000000 ] - [ 0.0010150100000000, -0.0002275900000000, -0.0101523900000000 ] - [ 0.0005859100000000, -0.0011921300000000, -0.0025044300000000 ] - [ -0.0008539100000000, 0.0030193200000000, 0.0028608200000000 ] - [ 0.0016195900000000, 0.0034966000000000, 0.0040681700000000 ] - [ 0.0001367300000000, -0.0002950800000000, 0.0042316500000000 ] - [ -0.0001836100000000, 0.0000910000000000, 0.0008006900000000 ] - [ -0.0033474400000000, 0.0022253300000000, 0.0000220500000000 ] - [ 0.0021761000000000, 0.0016788700000000, -0.0000187500000000 ] - [ 0.0001929400000000, -0.0011028500000000, 0.0013388000000000 ] - [ 0.0001704300000000, -0.0001001600000000, 0.0005739700000000 ] - [ -0.0039777600000000, 0.0056678600000000, -0.0054354500000000 ] - [ 0.0040185100000000, 0.0054399100000000, -0.0021474900000000 ] - [ 0.0004212800000000, 0.0013499300000000, 0.0042207800000000 ] - [ -0.0002740500000000, -0.0004018000000000, 0.0015630100000000 ] - [ -0.0056165000000000, -0.0038423400000000, 0.0014351800000000 ] - [ 0.0032630700000000, -0.0015809600000000, 0.0002241800000000 ] - [ 0.0007836200000000, 0.0097399400000000, 0.0269679700000000 ] - [ 0.0001040800000000, -0.0003360900000000, 0.0009672400000000 ] - [ -0.0069531400000000, -0.0098893200000000, -0.0035986400000000 ] - [ 0.0065942900000000, -0.0083937600000000, -0.0006636100000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0006257100000000, 0.0081763400000000, 0.0076457900000000 ] - [ 0.0003195700000000, -0.0004102000000000, -0.0002425600000000 ] - [ -0.0004492900000000, 0.0005111300000000, 0.0023822300000000 ] - [ 0.0015358300000000, 0.0006818200000000, 0.0023060500000000 ] - [ 0.0011588200000000, 0.0075432000000000, -0.0055580800000000 ] - [ 0.0006596000000000, 0.0009304800000000, -0.0009033100000000 ] - [ -0.0000764900000000, -0.0009515600000000, 0.0012729600000000 ] - [ -0.0000148400000000, -0.0010301700000000, 0.0010847500000000 ] - [ 0.0164610000000000, 0.0055573300000000, -0.0028420400000000 ] - [ -0.0020036300000000, -0.0005356000000000, -0.0021860800000000 ] - [ -0.0002267600000000, 0.0000215300000000, 0.0047306300000000 ] - [ 0.0001943200000000, 0.0001418800000000, 0.0018534200000000 ] - [ -0.0005071400000000, -0.0002388600000000, -0.0046370000000000 ] - [ 0.0014319300000000, -0.0001166100000000, -0.0013010800000000 ] - [ 0.0008527200000000, 0.0000149600000000, 0.0011727900000000 ] - [ 0.0008440600000000, 0.0000890700000000, 0.0007418000000000 ] - [ -0.1584209400000000, -0.0072721000000000, -0.1350375700000000 ] - [ -0.0019842600000000, -0.0001120200000000, -0.0023803800000000 ] - [ -0.0035711700000000, -0.0014985100000000, 0.0042293700000000 ] - [ 0.0005068700000000, -0.0000250000000000, 0.0018431700000000 ] - [ 0.0006916100000000, 0.0002444300000000, -0.0000867600000000 ] - [ -0.0006157800000000, -0.0001397300000000, -0.0003195600000000 ] - [ -0.0007989600000000, -0.0000615600000000, 0.0012734300000000 ] - [ 0.0006025500000000, 0.0001335500000000, 0.0006681100000000 ] - [ 0.1644594500000000, -0.0059103600000000, -0.1766759300000000 ] - [ 0.0018969700000000, -0.0002050000000000, -0.0014698500000000 ] - [ 0.0027765500000000, -0.0016057900000000, 0.0040229000000000 ] - [ -0.0012742600000000, -0.0000578800000000, 0.0013393300000000 ] - [ 0.0006399800000000, 0.0003411100000000, -0.0009521200000000 ] - [ 0.0007995200000000, -0.0002511000000000, -0.0010079700000000 ] - [ 0.0015218900000000, 0.0000064200000000, 0.0019592600000000 ] - [ 0.0001368700000000, 0.0001226800000000, 0.0017822700000000 ] - [ 0.0192972900000000, -0.0068296700000000, -0.0027222100000000 ] - [ -0.0014170000000000, 0.0001848200000000, -0.0030498100000000 ] - [ -0.0004665300000000, -0.0000961200000000, 0.0024981900000000 ] - [ 0.0003081600000000, -0.0001249400000000, 0.0015464600000000 ] - [ -0.0000667900000000, 0.0008666700000000, -0.0041358500000000 ] - [ 0.0004529400000000, -0.0005088800000000, -0.0025001200000000 ] - [ -0.0011617700000000, 0.0016962100000000, 0.0018393300000000 ] - [ 0.0012415100000000, 0.0002922400000000, 0.0014597800000000 ] - [ -0.0002084900000000, 0.0010632800000000, 0.0006954000000000 ] - [ 0.0000694600000000, 0.0011845500000000, 0.0009422700000000 ] - [ 0.0005049600000000, 0.0016245200000000, -0.0025292000000000 ] - [ 0.0000976100000000, 0.0001717700000000, -0.0008430700000000 ] - [ -0.0004202500000000, -0.0003401500000000, 0.0021150300000000 ] - [ 0.0005037100000000, 0.0000901600000000, 0.0014407200000000 ] - [ 0.0105159100000000, 0.0024527800000000, 0.0113915900000000 ] - [ -0.0002044600000000, -0.0003085600000000, -0.0001834900000000 ] - [ -0.0009790100000000, -0.0005280200000000, 0.0017881500000000 ] - [ -0.0007005600000000, -0.0005328200000000, 0.0016923700000000 ] - [ -0.0017661300000000, 0.0005666100000000, -0.0041503300000000 ] - [ -0.0007575800000000, 0.0008507400000000, -0.0015756700000000 ] - [ -0.0008921300000000, 0.0012832700000000, 0.0031201200000000 ] - [ -0.0002955700000000, 0.0011147400000000, 0.0032761200000000 ] - [ 0.0012135700000000, -0.0686165800000000, -0.0927211700000000 ] - [ -0.0003862600000000, -0.0014087200000000, -0.0025808800000000 ] - [ -0.0011160500000000, 0.0023796900000000, 0.0022458500000000 ] - [ -0.0014875000000000, 0.0021028600000000, 0.0020572200000000 ] - [ -0.0016168900000000, -0.0003492700000000, -0.0028436900000000 ] - [ -0.0010558800000000, -0.0013912000000000, -0.0010924100000000 ] - [ -0.0008290700000000, -0.0004096300000000, 0.0038963400000000 ] - [ -0.0002601200000000, -0.0005196900000000, 0.0042799400000000 ] - [ 0.0029415300000000, 0.0698108400000000, -0.1038527400000000 ] - [ -0.0000580900000000, 0.0000812900000000, -0.0030388200000000 ] - [ -0.0009552200000000, 0.0022734300000000, 0.0025606600000000 ] - [ 0.0021608800000000, 0.0032216500000000, 0.0024519900000000 ] - [ 0.0010747400000000, -0.0043612600000000, -0.0034176700000000 ] - [ 0.0013099200000000, -0.0017461500000000, -0.0006108200000000 ] - [ -0.0002710000000000, 0.0000262200000000, 0.0024936800000000 ] - [ 0.0012726600000000, -0.0000207500000000, 0.0026613100000000 ] - [ 0.0020689500000000, -0.0080966900000000, 0.0107566300000000 ] - [ 0.0008256600000000, 0.0001052500000000, -0.0006913200000000 ] - [ -0.0392301000000000, -0.0369779100000000, -0.0417715800000000 ] - [ 0.0012555600000000, 0.0003743200000000, 0.0017957900000000 ] - [ 0.0004933200000000, 0.0008905100000000, -0.0064926000000000 ] - [ -0.0009620200000000, -0.0006504400000000, -0.0053340600000000 ] - [ -0.0009200700000000, -0.0036363100000000, 0.0125412000000000 ] - [ -0.0003953300000000, -0.0016291600000000, 0.0021386600000000 ] - [ 0.0001029200000000, 0.0003078800000000, -0.0018868900000000 ] - [ 0.0000419000000000, 0.0004831800000000, -0.0019702200000000 ] - [ 0.0296557300000000, 0.0140820200000000, 0.5997534600000000 ] - [ -0.0007853500000000, 0.0001277200000000, 0.0074202100000000 ] - [ 0.0039444300000000, 0.0002663200000000, -0.0072294900000000 ] - [ -0.0034382500000000, 0.0005076900000000, -0.0072307600000000 ] - [ -0.0007494200000000, -0.0010639300000000, 0.0012307600000000 ] - [ 0.0007135000000000, -0.0005446300000000, 0.0020566200000000 ] - [ 0.0011829000000000, -0.0004822800000000, -0.0032434600000000 ] - [ -0.0008926600000000, -0.0002567600000000, -0.0027909300000000 ] - [ -0.0491142800000000, 0.0322151000000000, -0.0556639200000000 ] - [ 0.0004535900000000, -0.0000567300000000, 0.0016023300000000 ] - [ 0.0014411200000000, -0.0002397600000000, -0.0050898900000000 ] - [ -0.0009377300000000, 0.0003823900000000, -0.0042672000000000 ] - [ -0.0006926200000000, 0.0000669200000000, 0.0101304800000000 ] - [ -0.0002535000000000, 0.0010351100000000, 0.0024420600000000 ] - [ 0.0012186500000000, -0.0028668900000000, -0.0027798300000000 ] - [ -0.0012926200000000, -0.0033523100000000, -0.0040080700000000 ] - [ -0.0004353800000000, 0.0006599100000000, -0.0041864700000000 ] - [ -0.0001178900000000, 0.0002773000000000, -0.0007474300000000 ] - [ 0.0030534100000000, -0.0026047100000000, -0.0000912300000000 ] - [ -0.0024773100000000, -0.0020509100000000, -0.0000429600000000 ] - [ 0.0001083100000000, 0.0014792200000000, -0.0013950000000000 ] - [ 0.0001292800000000, 0.0004691800000000, -0.0006255800000000 ] - [ 0.0042397200000000, -0.0059749700000000, 0.0055061300000000 ] - [ -0.0036807100000000, -0.0057599000000000, 0.0022197300000000 ] - [ -0.0006286500000000, -0.0025274900000000, -0.0035250100000000 ] - [ 0.0000628600000000, -0.0007772600000000, -0.0008659400000000 ] - [ 0.0054106700000000, 0.0050214800000000, -0.0021528900000000 ] - [ -0.0034701200000000, 0.0027604900000000, -0.0009327600000000 ] - [ -0.0005764300000000, -0.0110847200000000, -0.0279923400000000 ] - [ 0.0001021900000000, -0.0008436500000000, -0.0016538500000000 ] - [ 0.0071773800000000, 0.0110553500000000, 0.0043455400000000 ] - [ -0.0063964500000000, 0.0095702200000000, 0.0014095600000000 ]- atom: 89 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0012513700000000, -0.0018593300000000, 0.0012879800000000 ] - [ -0.0010092100000000, -0.0000571100000000, 0.0000359400000000 ] - [ -0.0019610600000000, 0.0003081600000000, 0.0020349300000000 ] - [ -0.0000408800000000, -0.0009418800000000, -0.0076909500000000 ] - [ 0.0046511300000000, -0.0008012800000000, -0.0013286300000000 ] - [ -0.0025914900000000, -0.0006261300000000, 0.0012722700000000 ] - [ 0.0002534300000000, 0.0002519400000000, 0.0000476900000000 ] - [ -0.0004057500000000, 0.0002322300000000, -0.0000835000000000 ] - [ 0.0053934900000000, -0.0009949800000000, -0.0019822000000000 ] - [ -0.0028567500000000, -0.0000397700000000, 0.0003694100000000 ] - [ -0.0016762800000000, 0.0010202900000000, 0.0015233400000000 ] - [ -0.0024602700000000, -0.0006621800000000, -0.0013233000000000 ] - [ 0.0017099200000000, -0.0030807000000000, -0.0028249800000000 ] - [ -0.0059631500000000, 0.0035912600000000, 0.0029313800000000 ] - [ 0.0014047400000000, 0.0003513000000000, 0.0000535700000000 ] - [ -0.0003172400000000, -0.0000992100000000, -0.0003937300000000 ] - [ -0.0063837000000000, 0.0064183000000000, -0.0100411300000000 ] - [ -0.0043826800000000, -0.0026711200000000, 0.0007712800000000 ] - [ 0.0010083800000000, 0.0001127700000000, -0.0004785900000000 ] - [ -0.0017552500000000, 0.0000377300000000, 0.0007904300000000 ] - [ 0.0037300900000000, 0.0016271400000000, 0.0006661900000000 ] - [ -0.0022481600000000, -0.0005657500000000, -0.0003802700000000 ] - [ -0.0004653600000000, -0.0011676700000000, 0.0005877800000000 ] - [ 0.0005555600000000, 0.0008594800000000, -0.0020097900000000 ] - [ 0.0154477600000000, 0.0049990300000000, -0.0126081600000000 ] - [ -0.0036777500000000, -0.0002646000000000, 0.0010815300000000 ] - [ -0.0009207900000000, 0.0005226700000000, -0.0005951700000000 ] - [ 0.0001378600000000, -0.0003565400000000, -0.0004087600000000 ] - [ 0.0025375200000000, -0.0014400100000000, -0.0013731800000000 ] - [ -0.0027158500000000, 0.0020856600000000, 0.0004358300000000 ] - [ 0.0025940600000000, -0.0000506200000000, -0.0006855800000000 ] - [ -0.0008665800000000, -0.0003610100000000, 0.0008924400000000 ] - [ 0.3614367000000000, -0.0716835500000000, -0.1434050800000000 ] - [ -0.0056930000000000, 0.0007076800000000, 0.0004280500000000 ] - [ 0.0001874100000000, 0.0005084900000000, 0.0003840800000000 ] - [ -0.0009027900000000, -0.0007992600000000, -0.0003399000000000 ] - [ 0.0005491600000000, 0.0006200300000000, -0.0000745200000000 ] - [ 0.0003549200000000, 0.0007688300000000, 0.0004840600000000 ] - [ 0.0020904100000000, -0.0003796000000000, 0.0001085000000000 ] - [ -0.0009496700000000, 0.0000798800000000, -0.0001517100000000 ] - [ 0.0005042000000000, 0.0005847000000000, 0.0006512400000000 ] - [ -0.0005719400000000, -0.0002649100000000, 0.0002662400000000 ] - [ 0.0009451500000000, -0.0003654300000000, -0.0002163700000000 ] - [ -0.0012180300000000, 0.0025147300000000, 0.0007591800000000 ] - [ -0.0002469600000000, 0.0018362600000000, 0.0005546400000000 ] - [ -0.0002661100000000, -0.0025186400000000, -0.0014849700000000 ] - [ 0.0404333500000000, -0.0035512000000000, 0.0010351200000000 ] - [ -0.0016731200000000, -0.0002741100000000, 0.0001429400000000 ] - [ -0.0010205300000000, -0.0005911000000000, 0.0008057400000000 ] - [ 0.0001293900000000, 0.0004819300000000, -0.0002779400000000 ] - [ 0.0044536900000000, 0.0008674700000000, 0.0007066600000000 ] - [ -0.0033956200000000, 0.0010726100000000, -0.0010861400000000 ] - [ 0.0016933800000000, -0.0017157200000000, -0.0024855700000000 ] - [ -0.0010370500000000, 0.0008388300000000, 0.0013303000000000 ] - [ 0.0071239000000000, 0.0164718900000000, 0.0052075200000000 ] - [ -0.0018207600000000, -0.0012862900000000, -0.0011850400000000 ] - [ -0.0011901200000000, 0.0007985800000000, 0.0000325000000000 ] - [ 0.0000945500000000, 0.0012283200000000, -0.0005829200000000 ] - [ 0.0006991600000000, -0.0000657900000000, 0.0013132000000000 ] - [ -0.0012519000000000, -0.0002359500000000, 0.0006959000000000 ] - [ 0.0011327600000000, 0.0005310600000000, -0.0002724200000000 ] - [ -0.0000289200000000, 0.0013787600000000, 0.0008826400000000 ] - [ 0.1084368200000000, 0.0026848600000000, 0.0519049500000000 ] - [ -0.0037389600000000, -0.0011305300000000, -0.0012575700000000 ] - [ 0.0008184900000000, 0.0008318800000000, 0.0001791800000000 ] - [ -0.0010274200000000, -0.0000990200000000, -0.0007549500000000 ] - [ 0.0003347300000000, 0.0000598500000000, 0.0000452000000000 ] - [ -0.0010466000000000, 0.0003951700000000, 0.0007878200000000 ] - [ -0.0002219200000000, 0.0009723700000000, 0.0002826700000000 ] - [ 0.0005876300000000, -0.0001537300000000, 0.0001082800000000 ] - [ 0.1154610400000000, 0.0909615400000000, -0.1000237700000000 ] - [ -0.0037971500000000, -0.0013727100000000, -0.0001257200000000 ] - [ -0.0126064300000000, 0.0002566100000000, -0.0086847100000000 ] - [ 0.0042139900000000, 0.0004720200000000, 0.0005754300000000 ] - [ 0.0025550600000000, -0.0017662400000000, -0.0035272600000000 ] - [ 0.0020914500000000, 0.0055888200000000, 0.0060367600000000 ] - [ -0.0068860200000000, 0.0049053700000000, 0.0027748100000000 ] - [ 0.0079466400000000, -0.0019880100000000, -0.0040578200000000 ] - [ -0.0010760300000000, -0.0005314600000000, 0.0000587900000000 ] - [ 0.0015865800000000, 0.0003514100000000, 0.0002114400000000 ] - [ -0.0016349600000000, -0.0495755400000000, 0.0497581200000000 ] - [ 0.0070063400000000, 0.0018484400000000, 0.0001714900000000 ] - [ -0.0019561900000000, 0.0012741500000000, 0.0008090600000000 ] - [ 0.0019143600000000, -0.0006617100000000, -0.0015747100000000 ] - [ -0.0056580900000000, -0.0011006700000000, 0.0000386700000000 ] - [ 0.0044530200000000, -0.0015985500000000, -0.0003973200000000 ] - [ 0.0014688000000000, 0.0008382900000000, -0.0006428400000000 ] - [ -0.0015216300000000, -0.0010491700000000, 0.0018432000000000 ] - [ -0.6503117500000000, 0.0074581900000000, 0.1856467600000000 ] - [ 0.0091391000000000, -0.0001824300000000, -0.0001436000000000 ] - [ -0.0001504200000000, -0.0025139800000000, -0.0009146700000000 ] - [ -0.0001573600000000, 0.0028009800000000, 0.0014225000000000 ] - [ -0.0012277300000000, -0.0010802100000000, -0.0002520100000000 ] - [ 0.0008540500000000, -0.0023848600000000, -0.0001608100000000 ] - [ -0.0028640100000000, -0.0009806100000000, -0.0019561000000000 ] - [ 0.0022955200000000, 0.0005932800000000, -0.0000201000000000 ] - [ -0.0036589400000000, 0.0006466800000000, -0.0051837500000000 ] - [ 0.0015436800000000, 0.0001127300000000, 0.0003287000000000 ] - [ 0.0004002100000000, -0.0006627100000000, -0.0001897400000000 ] - [ -0.0003024000000000, -0.0003756000000000, -0.0000038700000000 ] - [ -0.0002527200000000, -0.0000595500000000, 0.0001005000000000 ] - [ 0.0005556000000000, 0.0002240300000000, -0.0000515700000000 ] - [ 0.0012718200000000, -0.0023719700000000, -0.0162645300000000 ] - [ 0.0030991700000000, 0.0006992400000000, 0.0009693300000000 ] - [ -0.0018298900000000, -0.0001386000000000, 0.0003701700000000 ] - [ 0.0015851300000000, -0.0007565100000000, 0.0009099000000000 ] - [ 0.0107954100000000, 0.0106027000000000, -0.0030614600000000 ] - [ 0.0124193800000000, -0.0163846200000000, 0.0087921100000000 ] - [ -0.0014796700000000, 0.0005837300000000, 0.0013610000000000 ] - [ 0.0018264900000000, -0.0002588200000000, -0.0013439000000000 ] - [ -0.0028699500000000, 0.0011649300000000, -0.0006427700000000 ] - [ 0.0030769600000000, -0.0010860300000000, 0.0009487200000000 ]- atom: 89 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0011725800000000, 0.0018610300000000, -0.0012050600000000 ] - [ 0.0011287300000000, -0.0000225600000000, 0.0000420700000000 ] - [ 0.0020844000000000, -0.0002436600000000, -0.0021464500000000 ] - [ 0.0001346100000000, 0.0010025100000000, 0.0075195100000000 ] - [ -0.0048007300000000, 0.0007135600000000, 0.0012391400000000 ] - [ 0.0024879100000000, 0.0005561900000000, -0.0013548300000000 ] - [ -0.0003694100000000, -0.0001777200000000, 0.0000270500000000 ] - [ 0.0002880700000000, -0.0001554100000000, 0.0001577800000000 ] - [ -0.0064099600000000, 0.0009096700000000, 0.0015739200000000 ] - [ 0.0017906600000000, -0.0000708500000000, -0.0007430300000000 ] - [ 0.0005899900000000, -0.0009119700000000, -0.0011522600000000 ] - [ 0.0013790200000000, 0.0007577000000000, 0.0016853900000000 ] - [ -0.0006682400000000, 0.0029917000000000, 0.0032341700000000 ] - [ 0.0070742200000000, -0.0037236800000000, -0.0025536700000000 ] - [ -0.0003375400000000, -0.0002480300000000, -0.0004318600000000 ] - [ 0.0013853400000000, 0.0002043400000000, 0.0000139300000000 ] - [ 0.0053537900000000, -0.0064856100000000, 0.0091227900000000 ] - [ 0.0034573500000000, 0.0025608100000000, -0.0016208000000000 ] - [ -0.0019535200000000, 0.0000118000000000, 0.0013310900000000 ] - [ 0.0008093700000000, 0.0000869200000000, 0.0000614500000000 ] - [ -0.0027788900000000, -0.0017625900000000, 0.0001942200000000 ] - [ 0.0032111900000000, 0.0004493800000000, 0.0012451100000000 ] - [ 0.0013995200000000, 0.0012919600000000, -0.0014462400000000 ] - [ 0.0003994000000000, -0.0007295200000000, 0.0011543900000000 ] - [ -0.0160670400000000, -0.0051457100000000, 0.0131235500000000 ] - [ 0.0030661400000000, 0.0001136700000000, -0.0005874200000000 ] - [ 0.0002963400000000, -0.0003764400000000, 0.0000990900000000 ] - [ -0.0007578400000000, 0.0005014800000000, -0.0000864400000000 ] - [ -0.0019375600000000, 0.0012949100000000, 0.0008943500000000 ] - [ 0.0033367600000000, -0.0022321100000000, -0.0009203900000000 ] - [ -0.0019625400000000, 0.0001937200000000, 0.0011793200000000 ] - [ 0.0014820700000000, 0.0005137500000000, -0.0004141600000000 ] - [ -0.3428739900000000, 0.0660858800000000, 0.1322557100000000 ] - [ 0.0051334100000000, -0.0004537800000000, -0.0006868000000000 ] - [ -0.0007848800000000, -0.0007693700000000, -0.0001181900000000 ] - [ 0.0003111300000000, 0.0005370300000000, 0.0006046300000000 ] - [ 0.0000382100000000, -0.0003654600000000, 0.0003420200000000 ] - [ 0.0002400100000000, -0.0005148100000000, -0.0002173500000000 ] - [ -0.0015006200000000, 0.0001252500000000, -0.0003838500000000 ] - [ 0.0015404800000000, -0.0003352100000000, -0.0001211700000000 ] - [ -0.0006691100000000, -0.0007158900000000, -0.0002312600000000 ] - [ 0.0004066200000000, 0.0001379400000000, 0.0001570100000000 ] - [ -0.0011193600000000, 0.0004855800000000, -0.0002120500000000 ] - [ 0.0010610800000000, -0.0023988000000000, -0.0011907100000000 ] - [ 0.0004088700000000, -0.0019807800000000, -0.0009894900000000 ] - [ 0.0004312500000000, 0.0023644500000000, 0.0010521800000000 ] - [ -0.0401755700000000, 0.0025024300000000, -0.0010489100000000 ] - [ 0.0018419700000000, 0.0003915700000000, 0.0002852900000000 ] - [ 0.0002691100000000, 0.0004772500000000, -0.0007177100000000 ] - [ -0.0008769000000000, -0.0005986400000000, 0.0003685100000000 ] - [ -0.0052261800000000, -0.0007724700000000, -0.0007990100000000 ] - [ 0.0026670500000000, -0.0009622000000000, 0.0010086200000000 ] - [ -0.0009335000000000, 0.0015836800000000, 0.0023731600000000 ] - [ 0.0017874100000000, -0.0009643900000000, -0.0014357700000000 ] - [ -0.0064197000000000, -0.0163801500000000, -0.0051485300000000 ] - [ 0.0025761400000000, 0.0014033000000000, 0.0012886000000000 ] - [ 0.0002049800000000, 0.0009509600000000, -0.0010788700000000 ] - [ -0.0010748000000000, 0.0005226300000000, -0.0004652700000000 ] - [ -0.0016861400000000, -0.0016950600000000, -0.0002739600000000 ] - [ 0.0002730800000000, -0.0015125200000000, 0.0003538400000000 ] - [ -0.0001454900000000, 0.0012131600000000, 0.0013119400000000 ] - [ 0.0010124300000000, 0.0003670300000000, 0.0001564600000000 ] - [ -0.1111920600000000, -0.0037884500000000, -0.0578059000000000 ] - [ 0.0047305700000000, -0.0006266200000000, 0.0002323300000000 ] - [ -0.0012327200000000, -0.0000769300000000, -0.0008069300000000 ] - [ 0.0006095200000000, 0.0008550600000000, 0.0001247000000000 ] - [ -0.0007506300000000, -0.0008199500000000, 0.0005783900000000 ] - [ 0.0006332200000000, -0.0011553300000000, -0.0001626400000000 ] - [ 0.0006347200000000, -0.0002182000000000, 0.0003447500000000 ] - [ -0.0001678900000000, 0.0009042800000000, 0.0005220500000000 ] - [ -0.1143380300000000, -0.0935561400000000, 0.1013401700000000 ] - [ 0.0042162600000000, 0.0006180300000000, -0.0005006000000000 ] - [ 0.0123163700000000, -0.0010018000000000, 0.0093774300000000 ] - [ -0.0045392200000000, -0.0010831600000000, 0.0000644600000000 ] - [ -0.0028543700000000, 0.0024216400000000, 0.0029273700000000 ] - [ -0.0023951300000000, -0.0048886500000000, -0.0066265900000000 ] - [ 0.0072781600000000, -0.0055193800000000, -0.0034290500000000 ] - [ -0.0076650600000000, 0.0013630100000000, 0.0034212200000000 ] - [ 0.0013953800000000, 0.0011632500000000, 0.0005951800000000 ] - [ -0.0012666900000000, 0.0002729400000000, 0.0004428400000000 ] - [ 0.0015403200000000, 0.0492176600000000, -0.0484043400000000 ] - [ -0.0070293200000000, -0.0022705800000000, 0.0014111800000000 ] - [ 0.0019492900000000, -0.0008326500000000, -0.0024094700000000 ] - [ -0.0019165300000000, 0.0010996200000000, -0.0000261900000000 ] - [ 0.0056773100000000, 0.0007076500000000, -0.0016674300000000 ] - [ -0.0044626200000000, 0.0011749100000000, -0.0012360000000000 ] - [ -0.0014503900000000, -0.0004138200000000, 0.0022674700000000 ] - [ 0.0015173100000000, 0.0014723500000000, -0.0002303400000000 ] - [ 0.6339346400000000, 0.0007308000000000, -0.1710302700000000 ] - [ -0.0095039500000000, 0.0000438100000000, 0.0002064700000000 ] - [ -0.0001782800000000, 0.0026825200000000, 0.0008588100000000 ] - [ -0.0001859100000000, -0.0026256500000000, -0.0014800900000000 ] - [ 0.0015728600000000, 0.0009382500000000, 0.0001950900000000 ] - [ -0.0005252900000000, 0.0022457300000000, 0.0000936000000000 ] - [ 0.0031999900000000, 0.0011336300000000, 0.0020375500000000 ] - [ -0.0019571000000000, -0.0004446000000000, 0.0000907800000000 ] - [ 0.0033605400000000, -0.0002846300000000, 0.0052077100000000 ] - [ -0.0018452100000000, 0.0002517500000000, -0.0002686200000000 ] - [ -0.0006938600000000, 0.0002936600000000, 0.0001319900000000 ] - [ -0.0000044400000000, 0.0000081400000000, -0.0000556700000000 ] - [ 0.0005556900000000, 0.0004286400000000, -0.0001551400000000 ] - [ -0.0002548700000000, 0.0001452500000000, -0.0000016500000000 ] - [ -0.0010100600000000, 0.0020065200000000, 0.0163936000000000 ] - [ -0.0027964700000000, -0.0010665900000000, -0.0009224200000000 ] - [ 0.0016232200000000, -0.0010389200000000, 0.0003234100000000 ] - [ -0.0017975300000000, -0.0004236600000000, -0.0002068900000000 ] - [ -0.0110828900000000, -0.0095511900000000, 0.0023758900000000 ] - [ -0.0125941900000000, 0.0174685400000000, -0.0095221400000000 ] - [ 0.0016937800000000, -0.0017708800000000, -0.0020493800000000 ] - [ -0.0016221800000000, -0.0009253700000000, 0.0006548200000000 ] - [ 0.0030802600000000, 0.0000127000000000, 0.0013509100000000 ] - [ -0.0028625900000000, 0.0022649500000000, -0.0002472300000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0054521100000000, -0.0204626100000000, -0.0031861500000000 ] - [ -0.0002973000000000, 0.0000383300000000, -0.0002327000000000 ] - [ -0.0016264800000000, 0.0029347000000000, 0.0017065100000000 ] - [ 0.0029413900000000, 0.0053587300000000, 0.0014679800000000 ] - [ -0.0009933300000000, 0.0011971900000000, -0.0013767500000000 ] - [ 0.0005202900000000, 0.0000306800000000, -0.0004416200000000 ] - [ -0.0000722900000000, -0.0013163600000000, 0.0009703500000000 ] - [ 0.0001208200000000, -0.0008100200000000, 0.0006568400000000 ] - [ -0.0126396400000000, -0.0177414900000000, 0.0134156200000000 ] - [ 0.0007814400000000, 0.0002626200000000, -0.0003164100000000 ] - [ -0.0034118900000000, 0.0042623300000000, 0.0012948100000000 ] - [ -0.0005259700000000, 0.0015678900000000, 0.0008153000000000 ] - [ -0.0006899300000000, 0.0005707600000000, -0.0018803700000000 ] - [ 0.0024444000000000, -0.0011605200000000, -0.0010005000000000 ] - [ 0.0000669500000000, -0.0009009900000000, -0.0002875600000000 ] - [ 0.0001677900000000, -0.0005145100000000, -0.0000306700000000 ] - [ 0.0019977100000000, 0.0028141300000000, 0.0017250500000000 ] - [ -0.0002891200000000, 0.0018826900000000, -0.0004956100000000 ] - [ -0.0005484100000000, 0.0006377400000000, 0.0008584000000000 ] - [ -0.0003473600000000, 0.0005535800000000, 0.0006005100000000 ] - [ 0.0010769600000000, -0.0049135500000000, 0.0003426900000000 ] - [ -0.0005633800000000, -0.0020770000000000, -0.0001486400000000 ] - [ -0.0015773900000000, -0.0027588700000000, 0.0014015300000000 ] - [ 0.0015811000000000, -0.0004366100000000, 0.0001191900000000 ] - [ -0.0028785400000000, 0.0042269400000000, 0.0055710200000000 ] - [ 0.0000735500000000, 0.0005660400000000, 0.0002654800000000 ] - [ -0.0000969800000000, 0.0006201800000000, 0.0002386100000000 ] - [ -0.0007645500000000, 0.0008039800000000, 0.0001431800000000 ] - [ 0.0000642300000000, -0.0057103600000000, -0.0002030800000000 ] - [ 0.0006206600000000, -0.0016532900000000, -0.0005757000000000 ] - [ 0.0025848800000000, -0.0026767200000000, 0.0021994400000000 ] - [ -0.0008938900000000, -0.0006208800000000, 0.0013257300000000 ] - [ -0.0743116900000000, 0.0721870600000000, 0.0280843000000000 ] - [ -0.0007484300000000, 0.0017420600000000, -0.0009508400000000 ] - [ 0.0004835500000000, -0.0007209200000000, -0.0011343200000000 ] - [ -0.0014775500000000, -0.0005064600000000, -0.0006535900000000 ] - [ -0.0000566900000000, -0.0017318800000000, 0.0010926500000000 ] - [ -0.0015239400000000, -0.0013968500000000, 0.0013280700000000 ] - [ 0.0005053400000000, 0.0000641200000000, 0.0003143000000000 ] - [ 0.0001761400000000, 0.0000092500000000, 0.0003257800000000 ] - [ -0.0000202300000000, -0.0016123600000000, 0.0002784700000000 ] - [ -0.0002653600000000, -0.0006936600000000, 0.0004583800000000 ] - [ -0.0008387300000000, -0.0038978400000000, -0.0012202500000000 ] - [ -0.0001580600000000, -0.0020846400000000, -0.0004209800000000 ] - [ 0.0011580300000000, 0.0026927400000000, -0.0026227600000000 ] - [ -0.0012893600000000, 0.0025495100000000, -0.0022108100000000 ] - [ -0.0002909700000000, 0.1702706000000000, 0.0675387600000000 ] - [ 0.0001857200000000, 0.0023629100000000, 0.0000671600000000 ] - [ -0.0012992500000000, -0.0016093500000000, 0.0017671500000000 ] - [ -0.0005027300000000, -0.0017123200000000, 0.0017117800000000 ] - [ -0.0024261800000000, -0.0054412900000000, -0.0028230400000000 ] - [ 0.0000796900000000, -0.0006510000000000, 0.0000594700000000 ] - [ 0.0000637200000000, 0.0020610700000000, 0.0006491700000000 ] - [ -0.0006334400000000, 0.0018023400000000, 0.0008772100000000 ] - [ 0.0107134300000000, 0.0012424200000000, 0.0225341200000000 ] - [ 0.0004276200000000, 0.0013556700000000, 0.0007008900000000 ] - [ -0.0013046600000000, 0.0011571700000000, 0.0007698600000000 ] - [ -0.0001186100000000, 0.0008027400000000, 0.0001994000000000 ] - [ -0.0006182600000000, -0.0060502100000000, -0.0010168000000000 ] - [ -0.0011710500000000, -0.0020117900000000, -0.0004364800000000 ] - [ 0.0003215600000000, 0.0015080000000000, -0.0006941300000000 ] - [ 0.0013655700000000, 0.0015061700000000, -0.0006245700000000 ] - [ -0.0041128000000000, 0.0474834800000000, -0.0111231500000000 ] - [ 0.0006890600000000, 0.0004748300000000, -0.0013007500000000 ] - [ 0.0002222000000000, 0.0007819700000000, 0.0002234100000000 ] - [ -0.0000707700000000, 0.0008913000000000, 0.0002057200000000 ] - [ 0.0001311200000000, -0.0022014300000000, 0.0008974800000000 ] - [ -0.0005886100000000, -0.0007728300000000, 0.0005634400000000 ] - [ 0.0012052600000000, -0.0000933700000000, -0.0007435400000000 ] - [ -0.0010449000000000, -0.0003932700000000, -0.0017556000000000 ] - [ 0.0881427900000000, 0.1940061400000000, -0.1509872100000000 ] - [ 0.0011062800000000, 0.0009076500000000, -0.0008031400000000 ] - [ -0.0052998800000000, 0.1044653100000000, -0.0341890900000000 ] - [ -0.0011609700000000, -0.0022383400000000, 0.0012187700000000 ] - [ 0.0012877700000000, -0.0081456700000000, 0.0009958600000000 ] - [ 0.0009907700000000, -0.0077967100000000, -0.0000994200000000 ] - [ 0.0049272800000000, 0.0005635400000000, 0.0078407700000000 ] - [ -0.0020736000000000, 0.0012265500000000, 0.0014245900000000 ] - [ 0.0008714800000000, 0.0029440800000000, -0.0004670300000000 ] - [ 0.0008342900000000, 0.0019106500000000, -0.0006327900000000 ] - [ -0.0138216100000000, -0.0088948100000000, -0.0317695900000000 ] - [ -0.0003035400000000, -0.0030687400000000, 0.0007866800000000 ] - [ 0.0006027200000000, -0.0018570700000000, -0.0004834000000000 ] - [ -0.0003190200000000, -0.0017275800000000, -0.0011128400000000 ] - [ -0.0003637100000000, 0.0146660000000000, -0.0006373500000000 ] - [ 0.0006559200000000, 0.0014916800000000, 0.0003058900000000 ] - [ 0.0029108200000000, 0.0014785200000000, -0.0026225900000000 ] - [ -0.0025859100000000, 0.0015386700000000, -0.0021358400000000 ] - [ 0.0055857000000000, -0.5691223200000000, 0.1007546800000000 ] - [ -0.0002768000000000, -0.0031936200000000, 0.0003821300000000 ] - [ -0.0028819300000000, 0.0004646200000000, 0.0024270200000000 ] - [ 0.0024320500000000, 0.0004653900000000, 0.0030282200000000 ] - [ 0.0011650900000000, 0.0058618700000000, -0.0011777400000000 ] - [ 0.0024901100000000, 0.0021988700000000, -0.0006646200000000 ] - [ -0.0008920400000000, 0.0009279100000000, -0.0012989500000000 ] - [ 0.0006880800000000, -0.0000585200000000, -0.0014235900000000 ] - [ -0.0019708800000000, 0.0004886700000000, -0.0125286100000000 ] - [ 0.0001384200000000, -0.0000765000000000, -0.0002864200000000 ] - [ -0.0026890500000000, 0.0026267200000000, -0.0003424200000000 ] - [ 0.0029064300000000, 0.0038468700000000, 0.0006949400000000 ] - [ 0.0000603100000000, 0.0005846600000000, -0.0000260300000000 ] - [ 0.0003366400000000, 0.0004675300000000, 0.0000183200000000 ] - [ -0.0006985300000000, -0.0009335300000000, 0.0050087400000000 ] - [ -0.0002367000000000, -0.0014073600000000, 0.0001864600000000 ] - [ 0.0002280500000000, 0.0074360600000000, 0.0028363800000000 ] - [ 0.0000942000000000, 0.0015028000000000, 0.0006037900000000 ] - [ 0.0134142600000000, 0.0066900500000000, 0.0011999900000000 ] - [ -0.0127336200000000, 0.0074338100000000, -0.0023244100000000 ] - [ 0.0002388200000000, -0.0028827900000000, -0.0027173200000000 ] - [ -0.0000291200000000, -0.0016725800000000, -0.0004694200000000 ] - [ 0.0025629900000000, 0.0017152500000000, -0.0052646700000000 ] - [ -0.0014678900000000, 0.0012276100000000, -0.0011065900000000 ]- atom: 89 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0053839000000000, 0.0205206900000000, 0.0032416900000000 ] - [ 0.0004144400000000, -0.0001127900000000, 0.0003080600000000 ] - [ 0.0017248200000000, -0.0028557900000000, -0.0017767500000000 ] - [ -0.0027986100000000, -0.0052813100000000, -0.0015421300000000 ] - [ 0.0008714100000000, -0.0013080600000000, 0.0013191300000000 ] - [ -0.0006444800000000, -0.0001142700000000, 0.0003704400000000 ] - [ -0.0000495000000000, 0.0013945400000000, -0.0008913400000000 ] - [ -0.0002403100000000, 0.0008883500000000, -0.0005773300000000 ] - [ 0.0116031100000000, 0.0175818500000000, -0.0138075100000000 ] - [ -0.0018539400000000, -0.0003644800000000, -0.0000578300000000 ] - [ 0.0023155100000000, -0.0041329300000000, -0.0008972300000000 ] - [ -0.0005419300000000, -0.0014560000000000, -0.0004326000000000 ] - [ 0.0017902300000000, -0.0006948300000000, 0.0022645800000000 ] - [ -0.0013774100000000, 0.0010477700000000, 0.0013827500000000 ] - [ 0.0010058900000000, 0.0010064800000000, -0.0000871300000000 ] - [ 0.0009043800000000, 0.0006200700000000, -0.0003434900000000 ] - [ -0.0030045200000000, -0.0028768200000000, -0.0026406200000000 ] - [ -0.0006547200000000, -0.0020003800000000, -0.0003620400000000 ] - [ -0.0003975700000000, -0.0005073700000000, -0.0000005000000000 ] - [ -0.0006023100000000, -0.0004252300000000, 0.0002592200000000 ] - [ -0.0001325600000000, 0.0048109800000000, 0.0005061300000000 ] - [ 0.0015079400000000, 0.0019461800000000, 0.0010032500000000 ] - [ 0.0025186100000000, 0.0028647900000000, -0.0022592800000000 ] - [ -0.0006330600000000, 0.0005615300000000, -0.0009806700000000 ] - [ 0.0023005500000000, -0.0042997400000000, -0.0051395900000000 ] - [ -0.0006943700000000, -0.0007097200000000, 0.0002246600000000 ] - [ -0.0005245600000000, -0.0004694100000000, -0.0007264200000000 ] - [ 0.0001465000000000, -0.0006545500000000, -0.0006288700000000 ] - [ 0.0005727500000000, 0.0055903100000000, -0.0002997700000000 ] - [ -0.0000092700000000, 0.0015080200000000, 0.0000880300000000 ] - [ -0.0019622700000000, 0.0028109700000000, -0.0017190400000000 ] - [ 0.0015089800000000, 0.0007639600000000, -0.0008374100000000 ] - [ 0.0730961100000000, -0.0707727500000000, -0.0279644600000000 ] - [ 0.0001464500000000, -0.0014873800000000, 0.0006914700000000 ] - [ -0.0010741700000000, 0.0004681500000000, 0.0013936200000000 ] - [ 0.0008806900000000, 0.0002514700000000, 0.0009114600000000 ] - [ 0.0006626400000000, 0.0019953500000000, -0.0008277200000000 ] - [ 0.0021093500000000, 0.0016532800000000, -0.0010571700000000 ] - [ 0.0000949300000000, -0.0003261400000000, -0.0005760600000000 ] - [ 0.0004190500000000, -0.0002686100000000, -0.0005831800000000 ] - [ -0.0001454900000000, 0.0014773500000000, 0.0001523200000000 ] - [ 0.0000990500000000, 0.0005601600000000, -0.0000271900000000 ] - [ 0.0006878600000000, 0.0040358400000000, 0.0008121900000000 ] - [ -0.0000103000000000, 0.0022107100000000, -0.0000056100000000 ] - [ -0.0009917900000000, -0.0028016800000000, 0.0021867800000000 ] - [ 0.0014523000000000, -0.0026623800000000, 0.0017759500000000 ] - [ 0.0003814100000000, -0.1574554600000000, -0.0615177300000000 ] - [ -0.0000209700000000, -0.0022268600000000, 0.0003586900000000 ] - [ 0.0005472900000000, 0.0014868600000000, -0.0016670500000000 ] - [ -0.0002468800000000, 0.0015926600000000, -0.0016160500000000 ] - [ 0.0017203500000000, 0.0056226100000000, 0.0027882700000000 ] - [ -0.0008301800000000, 0.0007653000000000, -0.0001502000000000 ] - [ 0.0006866300000000, -0.0021697300000000, -0.0007368000000000 ] - [ 0.0013690100000000, -0.0019095500000000, -0.0009603100000000 ] - [ -0.0099652500000000, -0.0010422400000000, -0.0223687100000000 ] - [ 0.0003205200000000, -0.0012321100000000, -0.0006037200000000 ] - [ 0.0003199600000000, 0.0005906700000000, -0.0018048200000000 ] - [ -0.0008624600000000, 0.0009427400000000, -0.0012389500000000 ] - [ -0.0003472200000000, 0.0043262100000000, 0.0020741300000000 ] - [ 0.0001863400000000, 0.0002617100000000, 0.0014769300000000 ] - [ 0.0006625500000000, 0.0002493700000000, 0.0017278800000000 ] - [ -0.0003835600000000, 0.0002504200000000, 0.0016620800000000 ] - [ 0.0055675000000000, -0.0494182300000000, 0.0108229600000000 ] - [ 0.0002922000000000, -0.0022230800000000, 0.0002586800000000 ] - [ -0.0006370400000000, -0.0000313200000000, -0.0008502300000000 ] - [ -0.0003454800000000, -0.0001402900000000, -0.0008342700000000 ] - [ -0.0005464100000000, 0.0014564300000000, -0.0002525100000000 ] - [ 0.0001681100000000, 0.0000223500000000, 0.0000729100000000 ] - [ -0.0007913600000000, 0.0008526700000000, 0.0013699300000000 ] - [ 0.0014558600000000, 0.0011534700000000, 0.0023725300000000 ] - [ -0.0924229500000000, -0.1997329900000000, 0.1585205500000000 ] - [ -0.0006985800000000, -0.0016656200000000, 0.0001696900000000 ] - [ 0.0049414300000000, -0.1041854700000000, 0.0350646300000000 ] - [ 0.0008452700000000, 0.0016021800000000, -0.0005671300000000 ] - [ -0.0015694100000000, 0.0087352000000000, -0.0016579300000000 ] - [ -0.0013186800000000, 0.0083902400000000, -0.0005596600000000 ] - [ -0.0046930600000000, -0.0011281400000000, -0.0086010200000000 ] - [ 0.0024011700000000, -0.0018432000000000, -0.0020809500000000 ] - [ -0.0005515200000000, -0.0023178300000000, 0.0011138500000000 ] - [ -0.0005140600000000, -0.0012836400000000, 0.0012772600000000 ] - [ 0.0138164000000000, 0.0081070800000000, 0.0333072200000000 ] - [ 0.0002961300000000, 0.0026278300000000, 0.0008208300000000 ] - [ -0.0006129200000000, 0.0022762000000000, -0.0011308700000000 ] - [ 0.0003170900000000, 0.0021465300000000, -0.0005036600000000 ] - [ 0.0003596100000000, -0.0152107300000000, -0.0009302200000000 ] - [ -0.0006419100000000, -0.0019204100000000, -0.0019200800000000 ] - [ -0.0028958600000000, -0.0010386000000000, 0.0042252500000000 ] - [ 0.0025926400000000, -0.0010999600000000, 0.0037493900000000 ] - [ -0.0009423100000000, 0.5593328800000000, -0.1156967700000000 ] - [ -0.0000501600000000, 0.0030381000000000, -0.0003225500000000 ] - [ 0.0025446900000000, -0.0003291100000000, -0.0024876700000000 ] - [ -0.0027638100000000, -0.0003282400000000, -0.0030786400000000 ] - [ -0.0008540300000000, -0.0060393300000000, 0.0010873500000000 ] - [ -0.0021412100000000, -0.0023515300000000, 0.0005933600000000 ] - [ 0.0012215800000000, -0.0007662100000000, 0.0013527800000000 ] - [ -0.0003507900000000, 0.0002166900000000, 0.0014779700000000 ] - [ 0.0016379000000000, -0.0000777600000000, 0.0125310500000000 ] - [ -0.0004348500000000, 0.0004496200000000, 0.0003425100000000 ] - [ 0.0023859400000000, -0.0030017700000000, 0.0002915900000000 ] - [ -0.0031952600000000, -0.0042117900000000, -0.0007484400000000 ] - [ 0.0002397600000000, -0.0002198700000000, -0.0000351300000000 ] - [ -0.0000345000000000, -0.0001013800000000, -0.0000755500000000 ] - [ 0.0009920400000000, 0.0005979200000000, -0.0049402400000000 ] - [ 0.0005418900000000, 0.0010491600000000, -0.0001277900000000 ] - [ -0.0004430300000000, -0.0086200200000000, -0.0021172200000000 ] - [ -0.0002993700000000, -0.0026809500000000, 0.0001037500000000 ] - [ -0.0136699500000000, -0.0054647100000000, -0.0018657900000000 ] - [ 0.0126224700000000, -0.0062526400000000, 0.0016683000000000 ] - [ -0.0000303800000000, 0.0017099000000000, 0.0020126900000000 ] - [ 0.0002388500000000, 0.0004941400000000, -0.0002362900000000 ] - [ -0.0023509500000000, -0.0005515700000000, 0.0059429100000000 ] - [ 0.0016772700000000, -0.0000609700000000, 0.0018042000000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0024327200000000, -0.0071257100000000, 0.0027908300000000 ] - [ -0.0003436700000000, 0.0005932600000000, 0.0011130900000000 ] - [ 0.0031236000000000, -0.0005536100000000, -0.0013275600000000 ] - [ -0.0060939200000000, -0.0013270100000000, -0.0020728600000000 ] - [ -0.0012291500000000, -0.0038695400000000, -0.0025750800000000 ] - [ 0.0002472700000000, -0.0002428200000000, -0.0006232400000000 ] - [ -0.0001075200000000, 0.0005889500000000, -0.0011184300000000 ] - [ -0.0001480700000000, 0.0006123000000000, -0.0011541600000000 ] - [ -0.0040895000000000, -0.0055102200000000, 0.0103274700000000 ] - [ -0.0009224100000000, 0.0004710000000000, 0.0008555900000000 ] - [ 0.0028556100000000, -0.0015389400000000, -0.0032966100000000 ] - [ -0.0026313300000000, -0.0005197500000000, -0.0022719800000000 ] - [ -0.0013192600000000, -0.0033092100000000, 0.0011976600000000 ] - [ 0.0023081100000000, -0.0011019800000000, -0.0000354300000000 ] - [ 0.0003048600000000, 0.0001749100000000, -0.0013120200000000 ] - [ 0.0006028500000000, 0.0001250400000000, -0.0008556000000000 ] - [ -0.0088340700000000, 0.0070325600000000, -0.0109939500000000 ] - [ 0.0011236000000000, 0.0007318100000000, -0.0005962500000000 ] - [ 0.0006319200000000, 0.0002147800000000, -0.0019423000000000 ] - [ -0.0002741100000000, -0.0001314000000000, -0.0009083300000000 ] - [ 0.0000739900000000, -0.0004746100000000, 0.0027575600000000 ] - [ 0.0020842800000000, 0.0009432400000000, 0.0017369300000000 ] - [ 0.0030264500000000, 0.0018978800000000, -0.0022313000000000 ] - [ -0.0006102600000000, 0.0000294500000000, -0.0000611100000000 ] - [ 0.0039866800000000, 0.0093014700000000, -0.0134984400000000 ] - [ -0.0002430200000000, 0.0001389000000000, 0.0001440800000000 ] - [ -0.0012314100000000, 0.0002170300000000, -0.0025842900000000 ] - [ -0.0005526200000000, -0.0001504500000000, -0.0020379100000000 ] - [ -0.0009200200000000, 0.0012194800000000, 0.0033527600000000 ] - [ 0.0009603500000000, -0.0007653900000000, 0.0002507100000000 ] - [ -0.0027958400000000, 0.0018273600000000, -0.0008407800000000 ] - [ 0.0015760300000000, 0.0003896700000000, -0.0005335300000000 ] - [ -0.1405652600000000, 0.0275815100000000, 0.1214602600000000 ] - [ -0.0009159900000000, -0.0008577500000000, 0.0022799500000000 ] - [ -0.0000233000000000, -0.0007813300000000, -0.0007696800000000 ] - [ -0.0009143700000000, -0.0007140500000000, -0.0004813500000000 ] - [ 0.0000052200000000, 0.0001270600000000, 0.0009684200000000 ] - [ 0.0003855100000000, 0.0001698400000000, 0.0007626800000000 ] - [ -0.0005632500000000, -0.0002688300000000, -0.0030953900000000 ] - [ 0.0000026200000000, -0.0002784200000000, -0.0016325700000000 ] - [ -0.0002950200000000, -0.0002023200000000, -0.0009924400000000 ] - [ -0.0000371200000000, -0.0003964100000000, -0.0008532400000000 ] - [ 0.0000163600000000, -0.0031731500000000, -0.0004000900000000 ] - [ 0.0002438700000000, -0.0010526700000000, -0.0005063600000000 ] - [ 0.0011552900000000, -0.0025331500000000, -0.0007571800000000 ] - [ -0.0007399200000000, -0.0025443300000000, -0.0010988600000000 ] - [ -0.0014267200000000, 0.0458049300000000, 0.0777730800000000 ] - [ 0.0000643600000000, 0.0004502800000000, 0.0011897900000000 ] - [ 0.0008115000000000, 0.0010085400000000, -0.0021247600000000 ] - [ -0.0003403300000000, 0.0006440400000000, -0.0016852000000000 ] - [ -0.0004341100000000, -0.0047783200000000, 0.0046309300000000 ] - [ 0.0006036300000000, -0.0009500400000000, 0.0011299800000000 ] - [ 0.0004478300000000, -0.0020757100000000, -0.0030257300000000 ] - [ 0.0024747700000000, -0.0019280400000000, -0.0029553500000000 ] - [ 0.0112539700000000, 0.0184975900000000, 0.0185969100000000 ] - [ 0.0009959700000000, 0.0010226000000000, 0.0014590000000000 ] - [ 0.0008047500000000, 0.0001301600000000, -0.0030978700000000 ] - [ -0.0003960600000000, 0.0003761600000000, -0.0028366100000000 ] - [ -0.0001269900000000, -0.0016463300000000, 0.0026770800000000 ] - [ -0.0001283800000000, -0.0008387200000000, 0.0011925400000000 ] - [ 0.0007391200000000, 0.0006655000000000, -0.0009438700000000 ] - [ 0.0010277000000000, 0.0007756300000000, -0.0011032200000000 ] - [ 0.0620243400000000, 0.0012883500000000, 0.0943127700000000 ] - [ 0.0017034000000000, -0.0009376200000000, 0.0007519500000000 ] - [ -0.0006651900000000, -0.0009758400000000, -0.0036285900000000 ] - [ -0.0010893500000000, -0.0007098300000000, -0.0027444800000000 ] - [ -0.0002877300000000, 0.0000732800000000, -0.0000849600000000 ] - [ -0.0005571800000000, -0.0002182500000000, 0.0000303200000000 ] - [ 0.0007561900000000, -0.0001361600000000, 0.0005158100000000 ] - [ -0.0003235200000000, -0.0001280000000000, 0.0003768500000000 ] - [ -0.1031593800000000, -0.1621569000000000, 0.2211893100000000 ] - [ 0.0000705600000000, -0.0009838300000000, 0.0017910300000000 ] - [ -0.0106246000000000, 0.0207881500000000, -0.0349163000000000 ] - [ 0.0000056200000000, -0.0010889700000000, -0.0019834900000000 ] - [ -0.0068672300000000, 0.0034796400000000, 0.0030143400000000 ] - [ 0.0036199200000000, 0.0054268700000000, 0.0056107400000000 ] - [ 0.0016573000000000, 0.0106059500000000, 0.0009645500000000 ] - [ -0.0022687700000000, 0.0012845400000000, 0.0003513400000000 ] - [ 0.0000366400000000, 0.0002303000000000, 0.0027029700000000 ] - [ -0.0004083100000000, 0.0000184400000000, 0.0028185500000000 ] - [ 0.0184880200000000, -0.0656675500000000, 0.0565009300000000 ] - [ -0.0019300300000000, -0.0014114700000000, -0.0007507000000000 ] - [ -0.0009175800000000, 0.0020696400000000, 0.0042488500000000 ] - [ 0.0005103700000000, 0.0016397600000000, 0.0034270200000000 ] - [ 0.0017255600000000, 0.0026688500000000, -0.0109178600000000 ] - [ -0.0016273400000000, 0.0007131300000000, -0.0032696600000000 ] - [ -0.0034840100000000, -0.0004222300000000, 0.0048380600000000 ] - [ 0.0033212200000000, -0.0003292300000000, 0.0036197600000000 ] - [ 0.1821406300000000, 0.1117377400000000, -0.5553969600000001 ] - [ -0.0003358000000000, 0.0002739000000000, -0.0036257200000000 ] - [ -0.0016198100000000, 0.0031368400000000, 0.0015522200000000 ] - [ 0.0007204100000000, 0.0025426800000000, 0.0015515900000000 ] - [ -0.0000562500000000, 0.0010579500000000, -0.0015619300000000 ] - [ 0.0000430600000000, 0.0005523200000000, -0.0003782000000000 ] - [ 0.0021714900000000, 0.0013861300000000, 0.0055791300000000 ] - [ 0.0002234600000000, 0.0015226400000000, 0.0041291100000000 ] - [ 0.0009271900000000, -0.0043525400000000, 0.0149735100000000 ] - [ -0.0005314300000000, -0.0002256900000000, -0.0000788200000000 ] - [ -0.0007794900000000, -0.0005411700000000, -0.0013795300000000 ] - [ 0.0006154000000000, 0.0002912600000000, -0.0006762200000000 ] - [ 0.0002230400000000, 0.0000648200000000, 0.0012317000000000 ] - [ 0.0002019900000000, 0.0002224500000000, 0.0006671200000000 ] - [ -0.0066072000000000, 0.0034445900000000, 0.0088662700000000 ] - [ 0.0025743800000000, 0.0009478000000000, 0.0007972800000000 ] - [ 0.0003747000000000, -0.0015505500000000, 0.0009787600000000 ] - [ -0.0004920500000000, -0.0008439900000000, -0.0001972100000000 ] - [ -0.0092993200000000, -0.0027984400000000, -0.0088639300000000 ] - [ 0.0023467500000000, 0.0022718400000000, -0.0083089000000000 ] - [ 0.0007398800000000, 0.0000985200000000, 0.0084983200000000 ] - [ -0.0000913100000000, -0.0009301400000000, 0.0024224000000000 ] - [ -0.0024801700000000, -0.0035325700000000, 0.0011708900000000 ] - [ 0.0021637200000000, -0.0020201200000000, 0.0018635900000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0023543800000000, 0.0071793300000000, -0.0026978100000000 ] - [ 0.0004584400000000, -0.0006678900000000, -0.0010344500000000 ] - [ -0.0029974100000000, 0.0006393500000000, 0.0012712900000000 ] - [ 0.0061508700000000, 0.0013821700000000, 0.0019704800000000 ] - [ 0.0011443300000000, 0.0038290300000000, 0.0024896500000000 ] - [ -0.0003698700000000, 0.0001722100000000, 0.0005424300000000 ] - [ -0.0000093800000000, -0.0005120800000000, 0.0011952300000000 ] - [ 0.0000322200000000, -0.0005365400000000, 0.0012295900000000 ] - [ 0.0030605800000000, 0.0054299600000000, -0.0107701200000000 ] - [ -0.0001490500000000, -0.0005751300000000, -0.0012349500000000 ] - [ -0.0038747200000000, 0.0016274400000000, 0.0036754900000000 ] - [ 0.0015475900000000, 0.0006168300000000, 0.0026403800000000 ] - [ 0.0023959400000000, 0.0032082200000000, -0.0008436000000000 ] - [ -0.0012712500000000, 0.0010196200000000, 0.0003993000000000 ] - [ 0.0007652600000000, -0.0000662200000000, 0.0009385700000000 ] - [ 0.0004631700000000, -0.0000200900000000, 0.0004784300000000 ] - [ 0.0078347500000000, -0.0070711300000000, 0.0099890200000000 ] - [ -0.0020985100000000, -0.0008747200000000, -0.0002707000000000 ] - [ -0.0015811900000000, -0.0000961000000000, 0.0028001200000000 ] - [ -0.0006737800000000, 0.0002544200000000, 0.0017618600000000 ] - [ 0.0008770200000000, 0.0003347500000000, -0.0019104200000000 ] - [ -0.0011496500000000, -0.0010824400000000, -0.0008889400000000 ] - [ -0.0020655000000000, -0.0017590100000000, 0.0013884900000000 ] - [ 0.0015498300000000, 0.0000985700000000, -0.0007813900000000 ] - [ -0.0045159600000000, -0.0094909200000000, 0.0139909400000000 ] - [ -0.0003893200000000, -0.0002845300000000, 0.0003395900000000 ] - [ 0.0006132800000000, -0.0000746300000000, 0.0020886700000000 ] - [ -0.0000710200000000, 0.0002910900000000, 0.0015455300000000 ] - [ 0.0015420400000000, -0.0013848300000000, -0.0038561300000000 ] - [ -0.0003373900000000, 0.0006125900000000, -0.0007467400000000 ] - [ 0.0034056400000000, -0.0016672000000000, 0.0013433800000000 ] - [ -0.0009524400000000, -0.0002449000000000, 0.0010386800000000 ] - [ 0.1432313900000000, -0.0281130700000000, -0.1212847900000000 ] - [ 0.0003113400000000, 0.0011213800000000, -0.0025509400000000 ] - [ -0.0005671500000000, 0.0005194300000000, 0.0010425600000000 ] - [ 0.0003200700000000, 0.0004517900000000, 0.0007518400000000 ] - [ 0.0005900600000000, 0.0001302500000000, -0.0007113300000000 ] - [ 0.0002056700000000, 0.0000864000000000, -0.0005031000000000 ] - [ 0.0011504600000000, 0.0000192700000000, 0.0028245200000000 ] - [ 0.0005867700000000, 0.0000243200000000, 0.0013659700000000 ] - [ 0.0001274400000000, 0.0000912100000000, 0.0014201500000000 ] - [ -0.0001288500000000, 0.0002712800000000, 0.0012783300000000 ] - [ -0.0001808600000000, 0.0033136600000000, -0.0000371900000000 ] - [ -0.0004132700000000, 0.0011897800000000, 0.0000804800000000 ] - [ -0.0009823400000000, 0.0023903700000000, 0.0003401200000000 ] - [ 0.0009014500000000, 0.0023902400000000, 0.0006787000000000 ] - [ 0.0015123200000000, -0.0443165000000000, -0.0774236600000000 ] - [ 0.0000982400000000, -0.0003161900000000, -0.0007649100000000 ] - [ -0.0015606500000000, -0.0011253600000000, 0.0022188400000000 ] - [ -0.0004126600000000, -0.0007576800000000, 0.0017807800000000 ] - [ -0.0003183800000000, 0.0049109000000000, -0.0047748300000000 ] - [ -0.0013694900000000, 0.0010733700000000, -0.0012346700000000 ] - [ 0.0002974200000000, 0.0019453600000000, 0.0029248900000000 ] - [ -0.0017117800000000, 0.0018058400000000, 0.0028628000000000 ] - [ -0.0105223400000000, -0.0183986800000000, -0.0185463300000000 ] - [ -0.0002512600000000, -0.0009106500000000, -0.0013788200000000 ] - [ -0.0017870700000000, 0.0016239600000000, 0.0020607400000000 ] - [ -0.0005971600000000, 0.0013846900000000, 0.0018075800000000 ] - [ -0.0008609800000000, -0.0001048800000000, -0.0016545000000000 ] - [ -0.0008625600000000, -0.0009113700000000, -0.0001615100000000 ] - [ 0.0002416600000000, 0.0010718900000000, 0.0019954800000000 ] - [ -0.0000451600000000, 0.0009673100000000, 0.0021509900000000 ] - [ -0.0662397500000000, -0.0022501200000000, -0.1001977100000000 ] - [ -0.0007242600000000, -0.0008037900000000, -0.0018102200000000 ] - [ 0.0002449000000000, 0.0017418900000000, 0.0030128400000000 ] - [ 0.0006782500000000, 0.0014699800000000, 0.0021167800000000 ] - [ -0.0001219200000000, -0.0008381000000000, 0.0007026200000000 ] - [ 0.0001406900000000, -0.0005416000000000, 0.0005897300000000 ] - [ -0.0003422000000000, 0.0008891200000000, 0.0001200700000000 ] - [ 0.0007420200000000, 0.0008795200000000, 0.0002598700000000 ] - [ 0.0980324700000000, 0.1527370600000000, -0.2160254600000000 ] - [ 0.0003446100000000, 0.0002310500000000, -0.0024102200000000 ] - [ 0.0103121900000000, -0.0215034800000000, 0.0357656900000000 ] - [ -0.0003171400000000, 0.0004604500000000, 0.0026350300000000 ] - [ 0.0064848200000000, -0.0028472100000000, -0.0037019900000000 ] - [ -0.0039043200000000, -0.0047283300000000, -0.0062262600000000 ] - [ -0.0013668100000000, -0.0112846900000000, -0.0015543200000000 ] - [ 0.0026186300000000, -0.0019203000000000, -0.0009974600000000 ] - [ 0.0002812600000000, 0.0003812300000000, -0.0020613400000000 ] - [ 0.0007286800000000, 0.0006046300000000, -0.0021709900000000 ] - [ -0.0190577300000000, 0.0654181000000000, -0.0550810400000000 ] - [ 0.0019514900000000, 0.0009759900000000, 0.0024013400000000 ] - [ 0.0009178000000000, -0.0016162400000000, -0.0058578200000000 ] - [ -0.0005157900000000, -0.0011975600000000, -0.0050356100000000 ] - [ -0.0017279700000000, -0.0030802400000000, 0.0093674200000000 ] - [ 0.0016435100000000, -0.0011498700000000, 0.0016796300000000 ] - [ 0.0034759500000000, 0.0008494800000000, -0.0032405200000000 ] - [ -0.0032991800000000, 0.0007457200000000, -0.0020233100000000 ] - [ -0.1743788900000000, -0.1048621700000000, 0.5543881200000000 ] - [ 0.0000150900000000, -0.0004327300000000, 0.0036874000000000 ] - [ 0.0012824200000000, -0.0029688000000000, -0.0016258300000000 ] - [ -0.0010535100000000, -0.0023706600000000, -0.0016265000000000 ] - [ 0.0003901500000000, -0.0012087300000000, 0.0015241900000000 ] - [ 0.0002970100000000, -0.0007075500000000, 0.0003289200000000 ] - [ -0.0018230000000000, -0.0012636400000000, -0.0055269800000000 ] - [ 0.0001124600000000, -0.0013770100000000, -0.0040655500000000 ] - [ -0.0012260000000000, 0.0046732900000000, -0.0148614600000000 ] - [ 0.0002367000000000, 0.0005899700000000, 0.0001274300000000 ] - [ 0.0004876800000000, 0.0001731700000000, 0.0013245000000000 ] - [ -0.0009222200000000, -0.0006612500000000, 0.0006182400000000 ] - [ 0.0000750500000000, 0.0003044200000000, -0.0012875700000000 ] - [ 0.0001009200000000, 0.0001467200000000, -0.0007219600000000 ] - [ 0.0069469700000000, -0.0038432500000000, -0.0088352500000000 ] - [ -0.0022639800000000, -0.0013084900000000, -0.0007299500000000 ] - [ -0.0005899000000000, 0.0003685700000000, -0.0003052900000000 ] - [ 0.0002862000000000, -0.0003318800000000, 0.0008889200000000 ] - [ 0.0091506000000000, 0.0040067200000000, 0.0081489000000000 ] - [ -0.0025980500000000, -0.0010757100000000, 0.0075809400000000 ] - [ -0.0005535000000000, -0.0012705700000000, -0.0091965000000000 ] - [ 0.0003142500000000, -0.0002471500000000, -0.0031216100000000 ] - [ 0.0026977200000000, 0.0047352100000000, -0.0004571800000000 ] - [ -0.0019468800000000, 0.0031932800000000, -0.0011527300000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0004224500000000, 0.0000538600000000, -0.0000482100000000 ] - [ -0.0003197900000000, 0.0000096800000000, 0.0001427600000000 ] - [ -0.0030681500000000, 0.0000559000000000, -0.0013585100000000 ] - [ -0.0018668800000000, -0.0029277900000000, -0.0023628700000000 ] - [ 0.0004324300000000, -0.0001136600000000, -0.0001627500000000 ] - [ -0.0004971200000000, -0.0000683400000000, -0.0000302900000000 ] - [ 0.0000823600000000, 0.0005973700000000, -0.0004447300000000 ] - [ -0.0002433600000000, -0.0002827900000000, 0.0004708000000000 ] - [ -0.0000381500000000, 0.0000878100000000, -0.0003481100000000 ] - [ -0.0009402700000000, -0.0000870000000000, -0.0000975700000000 ] - [ 0.0007509500000000, -0.0036542000000000, -0.0032440800000000 ] - [ -0.0033579100000000, -0.0007798300000000, -0.0020581200000000 ] - [ 0.0008968800000000, -0.0001309100000000, -0.0002538300000000 ] - [ 0.0001301400000000, 0.0000263300000000, 0.0006559300000000 ] - [ 0.0017148700000000, 0.0006299400000000, -0.0001469700000000 ] - [ -0.0005226700000000, -0.0002665100000000, -0.0002388400000000 ] - [ -0.0003322200000000, 0.0000489500000000, -0.0003429300000000 ] - [ -0.0007104400000000, -0.0001279500000000, -0.0005735700000000 ] - [ 0.0008680900000000, -0.0002242600000000, -0.0003249500000000 ] - [ -0.0015554200000000, 0.0002992500000000, 0.0010945200000000 ] - [ 0.0014634300000000, 0.0002335600000000, 0.0009181500000000 ] - [ -0.0003250000000000, -0.0002871400000000, 0.0001532100000000 ] - [ -0.0009620800000000, -0.0000988400000000, 0.0003911100000000 ] - [ -0.0023128600000000, 0.0005525300000000, -0.0003419300000000 ] - [ 0.0001757700000000, 0.0000491800000000, 0.0002022800000000 ] - [ -0.0006895100000000, -0.0001296600000000, 0.0002673800000000 ] - [ -0.0004456500000000, 0.0005785600000000, 0.0005934000000000 ] - [ -0.0005531200000000, -0.0005337000000000, -0.0012676800000000 ] - [ 0.0011733700000000, -0.0004860700000000, -0.0007598200000000 ] - [ -0.0004897300000000, 0.0002528100000000, 0.0000311000000000 ] - [ -0.0001074200000000, 0.0003049800000000, -0.0010670400000000 ] - [ -0.0024501400000000, -0.0003018300000000, -0.0000149100000000 ] - [ 0.0014693000000000, 0.0001865200000000, -0.0002975200000000 ] - [ -0.0011903900000000, 0.0003229300000000, -0.0002173100000000 ] - [ 0.0003853800000000, 0.0007094000000000, 0.0003670600000000 ] - [ -0.0011170800000000, -0.0008135800000000, -0.0001859500000000 ] - [ 0.0004651500000000, 0.0001367900000000, 0.0000796800000000 ] - [ 0.0001527900000000, 0.0001618200000000, 0.0001287400000000 ] - [ 0.0011605700000000, -0.0008157900000000, 0.0008840100000000 ] - [ -0.0011967600000000, 0.0002529700000000, 0.0000436700000000 ] - [ 0.0001508500000000, 0.0011130000000000, -0.0004193000000000 ] - [ -0.0007104600000000, -0.0004364900000000, 0.0007720700000000 ] - [ 0.0000840800000000, -0.0000298200000000, -0.0002638000000000 ] - [ -0.0002671700000000, 0.0002003900000000, -0.0002330400000000 ] - [ -0.0010733600000000, 0.0034812100000000, -0.0010815100000000 ] - [ -0.0004990200000000, -0.0040671800000000, -0.0006153100000000 ] - [ 0.0007559100000000, 0.0008389800000000, -0.0000287100000000 ] - [ -0.0003160000000000, 0.0000401800000000, 0.0002699600000000 ] - [ -0.0021101300000000, -0.0015980300000000, 0.0020996800000000 ] - [ -0.0003570800000000, 0.0016677700000000, -0.0019593300000000 ] - [ 0.0000123600000000, -0.0000498300000000, -0.0000476400000000 ] - [ -0.0007561800000000, 0.0001335200000000, -0.0001652700000000 ] - [ 0.0009451100000000, -0.0027138500000000, -0.0027433500000000 ] - [ -0.0027346300000000, 0.0018368300000000, 0.0019525500000000 ] - [ 0.0006276500000000, 0.0002250000000000, 0.0001048100000000 ] - [ 0.0001147300000000, -0.0000072200000000, -0.0000310500000000 ] - [ -0.0027439700000000, 0.0009831300000000, 0.0016038300000000 ] - [ -0.0004128600000000, 0.0010096400000000, -0.0023790300000000 ] - [ -0.0001353400000000, -0.0009051000000000, 0.0005246900000000 ] - [ -0.0007842400000000, -0.0008534800000000, 0.0004583700000000 ] - [ 0.0006868900000000, -0.0000669100000000, 0.0001693200000000 ] - [ 0.0002272500000000, 0.0015012800000000, 0.0009384700000000 ] - [ 0.0008010200000000, -0.0004113600000000, -0.0011579700000000 ] - [ 0.0000841100000000, -0.0009236100000000, -0.0005226500000000 ] - [ -0.0004909100000000, -0.0001750900000000, -0.0016147600000000 ] - [ -0.0006336800000000, 0.0005847200000000, 0.0004732700000000 ] - [ 0.0000552000000000, -0.0004207500000000, 0.0002368500000000 ] - [ -0.0004758700000000, -0.0002956800000000, 0.0003408000000000 ] - [ -0.0001003400000000, 0.0010189400000000, -0.0000033400000000 ] - [ 0.0004668100000000, -0.0001249600000000, 0.0006626500000000 ] - [ 0.0025446900000000, 0.0002413600000000, 0.0045361000000000 ] - [ -0.0009889400000000, -0.0005891500000000, -0.0000529100000000 ] - [ -0.0010246200000000, -0.0004994800000000, 0.0006097400000000 ] - [ 0.0006695200000000, -0.0004115300000000, 0.0001878200000000 ] - [ 0.0122311400000000, -0.0055219300000000, 0.0030613800000000 ] - [ 0.0068313400000000, 0.0108391900000000, 0.0065121900000000 ] - [ -0.0005373000000000, -0.0002973700000000, 0.0000215300000000 ] - [ 0.0010090100000000, -0.0003736700000000, -0.0004276400000000 ] - [ -0.0017009700000000, -0.0014913000000000, 0.0014931600000000 ] - [ 0.0020359000000000, 0.0012088700000000, -0.0008142600000000 ] - [ -0.0004938300000000, -0.0006177800000000, 0.0010999800000000 ] - [ 0.0005187600000000, -0.0001004300000000, 0.0007700400000000 ] - [ -0.0014496600000000, 0.0034625900000000, 0.0024070300000000 ] - [ 0.0014033700000000, -0.0019508400000000, -0.0031271200000000 ] - [ -0.0018076700000000, -0.0000229100000000, -0.0007656300000000 ] - [ 0.0013162000000000, -0.0002851000000000, -0.0007871400000000 ] - [ 0.0083132400000000, 0.0028725200000000, -0.0030330700000000 ] - [ 0.0083308300000000, -0.0038865800000000, 0.0049330900000000 ] - [ -0.0037122900000000, -0.0019327500000000, 0.0011520700000000 ] - [ 0.0015298200000000, 0.0002126500000000, -0.0003586300000000 ] - [ -0.0003168900000000, -0.0029716700000000, -0.0007994100000000 ] - [ 0.0003772300000000, 0.0026252200000000, 0.0006053000000000 ] - [ -0.0002358500000000, 0.0000159000000000, 0.0000426900000000 ] - [ 0.0005719500000000, -0.0002607800000000, 0.0000194600000000 ] - [ 0.0012313500000000, -0.0007519100000000, 0.0068147100000000 ] - [ 0.0031127300000000, -0.0003110700000000, -0.0023763500000000 ] - [ -0.0200638900000000, 0.0067965300000000, -0.0064694500000000 ] - [ 0.0019547500000000, 0.0000155400000000, -0.0000341800000000 ] - [ -0.0001323500000000, -0.0001640200000000, 0.0002573500000000 ] - [ -0.0001339300000000, -0.0002531800000000, -0.0003154300000000 ] - [ -0.0005064600000000, -0.0000038300000000, -0.0002370200000000 ] - [ 0.0007921100000000, 0.0002481300000000, 0.0001284300000000 ] - [ -0.0001040800000000, -0.0000498500000000, 0.0003827500000000 ] - [ 0.0003774100000000, -0.0002106100000000, -0.0001112900000000 ] - [ -0.0033732300000000, -0.0007906100000000, 0.0002505600000000 ] - [ 0.0017113700000000, -0.0005656100000000, 0.0003891300000000 ] - [ 0.0015436900000000, 0.0015308100000000, 0.0027651900000000 ] - [ 0.0014199200000000, -0.0009024700000000, -0.0044470000000000 ] - [ -0.0019334100000000, -0.0003699100000000, -0.0031167900000000 ] - [ 0.0016300400000000, -0.0005163700000000, 0.0004576200000000 ] - [ -0.0002244100000000, 0.0005132800000000, 0.0008217400000000 ] - [ 0.0004208300000000, 0.0005436300000000, -0.0000223400000000 ]- atom: 97 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003057700000000, -0.0001210500000000, 0.0001294500000000 ] - [ 0.0004375200000000, -0.0000852600000000, -0.0000630900000000 ] - [ 0.0031819300000000, 0.0000163700000000, 0.0012880100000000 ] - [ 0.0021334300000000, 0.0030564500000000, 0.0022050600000000 ] - [ -0.0005551200000000, 0.0000343600000000, 0.0000927100000000 ] - [ 0.0003812100000000, -0.0000065000000000, -0.0000463800000000 ] - [ -0.0001980500000000, -0.0005280800000000, 0.0005191400000000 ] - [ 0.0001236200000000, 0.0003616000000000, -0.0003978500000000 ] - [ -0.0010254000000000, -0.0001868400000000, -0.0000307000000000 ] - [ -0.0001310100000000, -0.0000187000000000, -0.0002768900000000 ] - [ -0.0020009300000000, 0.0040084300000000, 0.0037512300000000 ] - [ 0.0022730700000000, 0.0008745800000000, 0.0024165000000000 ] - [ 0.0001668000000000, 0.0000241300000000, 0.0006315500000000 ] - [ 0.0009416200000000, -0.0001333300000000, -0.0002748500000000 ] - [ -0.0006463300000000, -0.0005304000000000, -0.0002348700000000 ] - [ 0.0015923500000000, 0.0003729600000000, -0.0001398000000000 ] - [ -0.0006241800000000, -0.0001720000000000, -0.0005180600000000 ] - [ -0.0002342500000000, 0.0000027300000000, -0.0002818900000000 ] - [ -0.0018118300000000, 0.0003506100000000, 0.0011761600000000 ] - [ 0.0006048400000000, -0.0001739100000000, -0.0002396900000000 ] - [ -0.0005092100000000, -0.0003621900000000, -0.0000573800000000 ] - [ 0.0012722200000000, 0.0001590100000000, 0.0007059600000000 ] - [ 0.0018680800000000, 0.0001305700000000, -0.0012436500000000 ] - [ 0.0032615700000000, -0.0004190300000000, -0.0005191600000000 ] - [ -0.0007900200000000, -0.0001905100000000, 0.0002791800000000 ] - [ 0.0000735100000000, -0.0000176000000000, 0.0002201200000000 ] - [ -0.0001762400000000, -0.0004298800000000, -0.0010851400000000 ] - [ -0.0000622000000000, 0.0006776200000000, 0.0007748000000000 ] - [ -0.0005590900000000, 0.0003352600000000, 0.0002768900000000 ] - [ 0.0011030100000000, -0.0003984900000000, -0.0005142000000000 ] - [ 0.0008013700000000, -0.0002675400000000, 0.0015340400000000 ] - [ 0.0030743800000000, 0.0004513100000000, 0.0005051300000000 ] - [ -0.0020269500000000, 0.0000784300000000, 0.0000174300000000 ] - [ 0.0005919000000000, -0.0000651800000000, -0.0000416900000000 ] - [ -0.0009798400000000, -0.0009679000000000, -0.0001016200000000 ] - [ 0.0005222800000000, 0.0005509400000000, 0.0004495900000000 ] - [ 0.0001266500000000, 0.0001193200000000, 0.0001855800000000 ] - [ 0.0004425700000000, 0.0000954700000000, 0.0001371400000000 ] - [ -0.0005455500000000, 0.0005372300000000, -0.0010740500000000 ] - [ 0.0017907000000000, -0.0005112600000000, -0.0003152600000000 ] - [ -0.0002971400000000, -0.0012738800000000, 0.0008417700000000 ] - [ 0.0005445300000000, 0.0003099100000000, -0.0003524100000000 ] - [ -0.0002524500000000, 0.0001528400000000, -0.0001603500000000 ] - [ 0.0001015800000000, -0.0000724600000000, -0.0001909100000000 ] - [ 0.0012427300000000, -0.0036220800000000, 0.0006607000000000 ] - [ 0.0006626800000000, 0.0039001500000000, 0.0001863500000000 ] - [ -0.0005823300000000, -0.0006750100000000, 0.0004471200000000 ] - [ 0.0004813500000000, 0.0000864400000000, 0.0001574900000000 ] - [ 0.0013664600000000, 0.0014878700000000, -0.0020162100000000 ] - [ -0.0003913600000000, -0.0017793400000000, 0.0020381700000000 ] - [ -0.0007645400000000, 0.0001595800000000, -0.0000439500000000 ] - [ 0.0000063600000000, -0.0000171000000000, 0.0000755500000000 ] - [ -0.0001732100000000, 0.0025857000000000, 0.0026227400000000 ] - [ 0.0034858700000000, -0.0019596500000000, -0.0020521400000000 ] - [ 0.0001238600000000, -0.0000981500000000, -0.0000111500000000 ] - [ 0.0006373400000000, 0.0001256000000000, 0.0001282800000000 ] - [ 0.0017665700000000, 0.0007644800000000, -0.0026564500000000 ] - [ -0.0005235000000000, 0.0007247700000000, 0.0013146800000000 ] - [ -0.0008501400000000, -0.0008470700000000, 0.0005164600000000 ] - [ -0.0002015100000000, -0.0008954900000000, 0.0005844300000000 ] - [ 0.0003014700000000, 0.0018119500000000, 0.0008667100000000 ] - [ 0.0007567200000000, 0.0002473900000000, 0.0001015200000000 ] - [ 0.0001763400000000, -0.0013084500000000, 0.0000768200000000 ] - [ 0.0009021700000000, -0.0008281400000000, -0.0005132500000000 ] - [ 0.0001111800000000, 0.0009383000000000, 0.0010010900000000 ] - [ 0.0002126900000000, 0.0001661900000000, -0.0011087600000000 ] - [ -0.0004724100000000, -0.0003359800000000, 0.0003901300000000 ] - [ 0.0000599100000000, -0.0004609600000000, 0.0002862000000000 ] - [ 0.0005152700000000, -0.0002638000000000, 0.0006338000000000 ] - [ -0.0000485400000000, 0.0008759200000000, -0.0000311800000000 ] - [ -0.0020646500000000, -0.0009695600000000, -0.0052925900000000 ] - [ 0.0014007400000000, -0.0001679900000000, -0.0005671700000000 ] - [ 0.0007017200000000, -0.0001505000000000, 0.0000438800000000 ] - [ -0.0009870500000000, -0.0002115000000000, 0.0004553300000000 ] - [ -0.0126019400000000, 0.0062101400000000, -0.0037047100000000 ] - [ -0.0070743000000000, -0.0100924800000000, -0.0070874600000000 ] - [ 0.0008648400000000, -0.0003168400000000, -0.0006695500000000 ] - [ -0.0006943400000000, -0.0002506600000000, -0.0002211600000000 ] - [ 0.0020118700000000, 0.0021386300000000, -0.0008219100000000 ] - [ -0.0017199500000000, -0.0005894100000000, 0.0014730900000000 ] - [ 0.0004913700000000, 0.0001655200000000, 0.0005305000000000 ] - [ -0.0005306800000000, -0.0003305800000000, 0.0008381300000000 ] - [ 0.0014345700000000, -0.0030150200000000, -0.0039974200000000 ] - [ -0.0014057700000000, 0.0023871900000000, 0.0015245100000000 ] - [ 0.0018106900000000, -0.0003960400000000, -0.0008515000000000 ] - [ -0.0013063000000000, -0.0001458200000000, -0.0008298600000000 ] - [ -0.0083557200000000, -0.0024732200000000, 0.0046661800000000 ] - [ -0.0082825400000000, 0.0042679200000000, -0.0032817400000000 ] - [ 0.0033074400000000, 0.0016769800000000, -0.0010004300000000 ] - [ -0.0018600200000000, -0.0003595200000000, 0.0004091000000000 ] - [ -0.0000170700000000, 0.0031281700000000, 0.0007383400000000 ] - [ -0.0007173000000000, -0.0024519200000000, -0.0006605000000000 ] - [ 0.0005742100000000, -0.0001622600000000, -0.0001036400000000 ] - [ -0.0002391300000000, 0.0001111800000000, -0.0000808900000000 ] - [ -0.0010500900000000, 0.0009377100000000, -0.0067404900000000 ] - [ -0.0027824400000000, 0.0004671000000000, 0.0024613000000000 ] - [ 0.0197109900000000, -0.0065234900000000, 0.0064086700000000 ] - [ -0.0022559100000000, 0.0003510200000000, 0.0000907200000000 ] - [ -0.0001675200000000, -0.0002050700000000, -0.0003152400000000 ] - [ -0.0001700700000000, -0.0001169600000000, 0.0002564200000000 ] - [ 0.0008105400000000, 0.0003714500000000, 0.0001825200000000 ] - [ -0.0004909100000000, 0.0001193900000000, -0.0001815500000000 ] - [ 0.0004022500000000, -0.0003177800000000, -0.0003258600000000 ] - [ -0.0000723500000000, -0.0001578400000000, 0.0001698000000000 ] - [ 0.0031648300000000, -0.0003894300000000, 0.0004477700000000 ] - [ -0.0019199300000000, -0.0006175000000000, 0.0003103900000000 ] - [ -0.0017315800000000, -0.0003419500000000, -0.0034838300000000 ] - [ -0.0016318700000000, 0.0020692700000000, 0.0037055300000000 ] - [ 0.0021666000000000, -0.0008314700000000, 0.0024081200000000 ] - [ -0.0014247100000000, -0.0006674800000000, -0.0011485500000000 ] - [ 0.0004295400000000, 0.0006646000000000, -0.0001151500000000 ] - [ -0.0002086700000000, 0.0006347600000000, 0.0007281900000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000873300000000, -0.0010786600000000, -0.0002556500000000 ] - [ 0.0001130200000000, -0.0003354100000000, -0.0000305500000000 ] - [ 0.0028091100000000, 0.0017715000000000, 0.0019025100000000 ] - [ -0.0023056400000000, 0.0001670700000000, -0.0002257000000000 ] - [ -0.0001670700000000, 0.0003695400000000, -0.0000446700000000 ] - [ 0.0000285500000000, 0.0001296500000000, -0.0000440700000000 ] - [ 0.0002829900000000, -0.0008749400000000, 0.0007710800000000 ] - [ -0.0000644700000000, -0.0005467600000000, 0.0005051500000000 ] - [ -0.0008013600000000, -0.0005709300000000, 0.0000491500000000 ] - [ -0.0005019500000000, -0.0001889400000000, -0.0001478400000000 ] - [ -0.0004588600000000, 0.0046239400000000, 0.0040067800000000 ] - [ -0.0019549400000000, 0.0001470500000000, -0.0007722200000000 ] - [ 0.0004544000000000, 0.0000934000000000, 0.0001525600000000 ] - [ 0.0005759400000000, 0.0000174800000000, 0.0001259200000000 ] - [ 0.0005736300000000, -0.0010521400000000, 0.0006664700000000 ] - [ 0.0001579700000000, -0.0003202500000000, 0.0000208900000000 ] - [ -0.0003273800000000, -0.0001039300000000, -0.0004194700000000 ] - [ -0.0004575300000000, -0.0000174100000000, -0.0004033900000000 ] - [ -0.0005436800000000, -0.0007411000000000, -0.0003575600000000 ] - [ 0.0000441300000000, -0.0003409800000000, -0.0001815700000000 ] - [ 0.0004274900000000, -0.0002362000000000, -0.0003033000000000 ] - [ 0.0004670000000000, -0.0001192300000000, 0.0002920100000000 ] - [ -0.0022112400000000, 0.0015803200000000, 0.0009589900000000 ] - [ 0.0034860600000000, 0.0003496800000000, -0.0003567500000000 ] - [ -0.0004682800000000, -0.0001342100000000, 0.0002160000000000 ] - [ -0.0003103900000000, -0.0000516200000000, 0.0002218900000000 ] - [ -0.0002264400000000, -0.0005340500000000, -0.0009691300000000 ] - [ -0.0009141300000000, -0.0005393600000000, -0.0010983700000000 ] - [ 0.0002692100000000, -0.0002658600000000, -0.0011088700000000 ] - [ 0.0003893300000000, -0.0001258700000000, -0.0004516000000000 ] - [ 0.0024641600000000, 0.0019843200000000, 0.0021687200000000 ] - [ -0.0026340300000000, 0.0004273100000000, 0.0001940200000000 ] - [ -0.0008683900000000, 0.0005281600000000, 0.0005554700000000 ] - [ -0.0003918800000000, 0.0003777300000000, 0.0000203900000000 ] - [ -0.0009133800000000, -0.0016171600000000, 0.0000605900000000 ] - [ -0.0006271300000000, -0.0008881100000000, 0.0001003600000000 ] - [ 0.0001577800000000, -0.0000587800000000, 0.0001090500000000 ] - [ 0.0002639400000000, -0.0000259600000000, 0.0001479600000000 ] - [ 0.0002052500000000, 0.0013882800000000, -0.0025519200000000 ] - [ -0.0000781800000000, 0.0004103200000000, -0.0000253600000000 ] - [ -0.0000810100000000, -0.0002429600000000, 0.0007315100000000 ] - [ -0.0003605300000000, 0.0002278800000000, 0.0005624500000000 ] - [ -0.0001445700000000, 0.0000418700000000, -0.0001262500000000 ] - [ -0.0000562200000000, -0.0000012500000000, -0.0001309700000000 ] - [ 0.0013406200000000, -0.0034426000000000, 0.0006321100000000 ] - [ -0.0003829300000000, -0.0021264500000000, -0.0001317800000000 ] - [ 0.0000070200000000, -0.0006738900000000, 0.0013343600000000 ] - [ 0.0001104500000000, 0.0000079500000000, 0.0004258800000000 ] - [ -0.0021917100000000, -0.0012385900000000, 0.0021305900000000 ] - [ 0.0000753200000000, -0.0013374200000000, 0.0020042500000000 ] - [ -0.0004677000000000, 0.0004444100000000, -0.0003598000000000 ] - [ -0.0003510200000000, 0.0001440100000000, -0.0001020000000000 ] - [ -0.0006513100000000, -0.0014474300000000, -0.0010802200000000 ] - [ 0.0038510700000000, -0.0018863200000000, -0.0016412600000000 ] - [ 0.0004875600000000, -0.0002761300000000, 0.0003035200000000 ] - [ 0.0004016600000000, -0.0000137200000000, 0.0000991300000000 ] - [ -0.0019875200000000, 0.0025662000000000, 0.0015344100000000 ] - [ 0.0004372400000000, 0.0021251900000000, 0.0012069300000000 ] - [ -0.0005982900000000, -0.0011938200000000, 0.0000706500000000 ] - [ -0.0004900500000000, -0.0010007300000000, 0.0004157400000000 ] - [ 0.0001880200000000, -0.0004267600000000, 0.0008482400000000 ] - [ 0.0004899000000000, -0.0000833500000000, 0.0004622100000000 ] - [ 0.0007336100000000, -0.0009511800000000, 0.0000717300000000 ] - [ 0.0005127100000000, -0.0008349900000000, -0.0004273400000000 ] - [ 0.0009026300000000, 0.0013336500000000, 0.0008745600000000 ] - [ -0.0000268500000000, 0.0010579800000000, 0.0000431900000000 ] - [ -0.0002132200000000, -0.0006403200000000, 0.0003076700000000 ] - [ -0.0001342500000000, -0.0005533700000000, 0.0003085400000000 ] - [ 0.0004166100000000, -0.0008574500000000, 0.0006228700000000 ] - [ 0.0006833900000000, -0.0008315300000000, 0.0005679900000000 ] - [ 0.0001875600000000, 0.0001839800000000, -0.0017789300000000 ] - [ 0.0002712700000000, -0.0000576100000000, -0.0001425500000000 ] - [ -0.0001907600000000, 0.0019662900000000, -0.0005049400000000 ] - [ -0.0002945600000000, 0.0001527300000000, 0.0001670500000000 ] - [ -0.0126956400000000, 0.0029194000000000, -0.0056515600000000 ] - [ 0.0051144200000000, 0.0036544500000000, 0.0010313500000000 ] - [ 0.0003032100000000, -0.0006887400000000, -0.0003495300000000 ] - [ 0.0000042400000000, -0.0004684400000000, -0.0003840300000000 ] - [ 0.0000489900000000, 0.0018560700000000, -0.0017212700000000 ] - [ 0.0012356700000000, 0.0010379000000000, -0.0011456400000000 ] - [ -0.0000697800000000, -0.0000332100000000, 0.0003365800000000 ] - [ 0.0000032200000000, -0.0002111300000000, 0.0007125400000000 ] - [ 0.0006901600000000, 0.0037990500000000, 0.0016200000000000 ] - [ -0.0006789200000000, 0.0027314100000000, 0.0010650500000000 ] - [ 0.0000831600000000, -0.0002703900000000, 0.0004779100000000 ] - [ -0.0000517500000000, -0.0001770800000000, -0.0005245300000000 ] - [ 0.0093404500000000, -0.0002274000000000, -0.0047757600000000 ] - [ -0.0089901300000000, 0.0005048600000000, -0.0049812600000000 ] - [ 0.0002759000000000, 0.0001525500000000, -0.0044497600000000 ] - [ -0.0002375300000000, -0.0003384400000000, -0.0003796100000000 ] - [ 0.0000195500000000, 0.0041061000000000, 0.0004441700000000 ] - [ 0.0003115500000000, 0.0028878300000000, -0.0003897100000000 ] - [ 0.0004130600000000, 0.0003296000000000, 0.0000881700000000 ] - [ 0.0001287500000000, 0.0002119700000000, -0.0000688500000000 ] - [ -0.0020856800000000, -0.0006656200000000, -0.0036191200000000 ] - [ 0.0010491500000000, -0.0011522500000000, -0.0010900000000000 ] - [ 0.0065978300000000, -0.0149360000000000, 0.0034117800000000 ] - [ -0.0003185400000000, -0.0009782600000000, 0.0001463600000000 ] - [ -0.0000826200000000, 0.0001508000000000, -0.0000955700000000 ] - [ -0.0001714000000000, 0.0001502300000000, 0.0000285900000000 ] - [ 0.0003391400000000, 0.0010361000000000, 0.0000142500000000 ] - [ 0.0000864800000000, 0.0007135700000000, 0.0000079700000000 ] - [ 0.0002832700000000, -0.0004527100000000, -0.0004055700000000 ] - [ 0.0001257600000000, -0.0003650500000000, -0.0000347600000000 ] - [ 0.0001602800000000, 0.0046461300000000, 0.0016677800000000 ] - [ -0.0002508900000000, 0.0005829000000000, 0.0006823600000000 ] - [ 0.0006896700000000, -0.0013140300000000, 0.0008767300000000 ] - [ -0.0008012000000000, -0.0015004000000000, 0.0008764600000000 ] - [ 0.0004261400000000, -0.0021552300000000, 0.0026910900000000 ] - [ -0.0000668200000000, -0.0014846300000000, 0.0001735100000000 ] - [ 0.0002275500000000, 0.0011773600000000, 0.0004028800000000 ] - [ 0.0000382200000000, 0.0010385700000000, 0.0005134500000000 ]- atom: 97 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000284100000000, 0.0010122900000000, 0.0003404600000000 ] - [ 0.0000047100000000, 0.0002600200000000, 0.0001091300000000 ] - [ -0.0026848200000000, -0.0016934400000000, -0.0019659300000000 ] - [ 0.0024260300000000, -0.0000924000000000, 0.0001578900000000 ] - [ 0.0000448500000000, -0.0004503500000000, -0.0000259900000000 ] - [ -0.0001430400000000, -0.0002064800000000, -0.0000324900000000 ] - [ -0.0004016200000000, 0.0009423200000000, -0.0007001100000000 ] - [ -0.0000527900000000, 0.0006217600000000, -0.0004331000000000 ] - [ -0.0002650000000000, 0.0004703100000000, -0.0004270100000000 ] - [ -0.0005670400000000, 0.0000833300000000, -0.0002281500000000 ] - [ -0.0008338100000000, -0.0043446200000000, -0.0035070300000000 ] - [ 0.0008852500000000, -0.0000415300000000, 0.0011515500000000 ] - [ 0.0006109500000000, -0.0002024600000000, 0.0002248800000000 ] - [ 0.0004967300000000, -0.0001265700000000, 0.0002524300000000 ] - [ 0.0004878900000000, 0.0011542800000000, -0.0010576700000000 ] - [ 0.0009134700000000, 0.0004237700000000, -0.0004004000000000 ] - [ -0.0006252200000000, -0.0000206200000000, -0.0004406200000000 ] - [ -0.0004853800000000, -0.0001087000000000, -0.0004519400000000 ] - [ -0.0004034200000000, 0.0008653400000000, 0.0012063400000000 ] - [ -0.0009888900000000, 0.0004652000000000, 0.0010337900000000 ] - [ 0.0005215100000000, 0.0001047100000000, 0.0011664200000000 ] - [ 0.0004790700000000, -0.0000116300000000, 0.0005655500000000 ] - [ 0.0030429400000000, -0.0015701400000000, -0.0018252900000000 ] - [ -0.0025528700000000, -0.0002272000000000, -0.0005063800000000 ] - [ -0.0001498000000000, -0.0000081300000000, 0.0002671300000000 ] - [ -0.0003077300000000, -0.0000962500000000, 0.0002665900000000 ] - [ -0.0003959700000000, 0.0006806100000000, 0.0004744200000000 ] - [ 0.0002932800000000, 0.0006833700000000, 0.0006038600000000 ] - [ 0.0003483900000000, 0.0001130400000000, 0.0006288200000000 ] - [ 0.0002294400000000, -0.0000240400000000, -0.0000343500000000 ] - [ -0.0017251200000000, -0.0019699400000000, -0.0017206900000000 ] - [ 0.0032690000000000, -0.0002815300000000, 0.0002958200000000 ] - [ 0.0003001100000000, -0.0002643500000000, -0.0008392800000000 ] - [ -0.0002042100000000, -0.0001227400000000, -0.0002819900000000 ] - [ 0.0003246700000000, 0.0013583800000000, 0.0002041500000000 ] - [ 0.0000332000000000, 0.0006297700000000, 0.0001651100000000 ] - [ 0.0004357500000000, 0.0003124200000000, 0.0001560400000000 ] - [ 0.0003305800000000, 0.0002799900000000, 0.0001173500000000 ] - [ 0.0004525000000000, -0.0016347700000000, 0.0023841400000000 ] - [ 0.0006744300000000, -0.0006706800000000, -0.0002444000000000 ] - [ -0.0000696400000000, 0.0000714300000000, -0.0003080600000000 ] - [ 0.0001953500000000, -0.0003606500000000, -0.0001402800000000 ] - [ -0.0000228600000000, 0.0000778100000000, -0.0003007000000000 ] - [ -0.0001091800000000, 0.0001260200000000, -0.0002953400000000 ] - [ -0.0011675500000000, 0.0033045900000000, -0.0010560100000000 ] - [ 0.0005481300000000, 0.0019988200000000, -0.0002911000000000 ] - [ 0.0001628400000000, 0.0008416300000000, -0.0009101000000000 ] - [ 0.0000560800000000, 0.0001197500000000, 0.0000013600000000 ] - [ 0.0014540000000000, 0.0011249100000000, -0.0020511000000000 ] - [ -0.0008294400000000, 0.0012205900000000, -0.0019318600000000 ] - [ -0.0002828600000000, -0.0003383700000000, 0.0002712400000000 ] - [ -0.0003968800000000, -0.0000307700000000, 0.0000134800000000 ] - [ 0.0014007700000000, 0.0013330000000000, 0.0009935600000000 ] - [ -0.0030861600000000, 0.0017580500000000, 0.0015431200000000 ] - [ 0.0002636400000000, 0.0004017300000000, -0.0002091800000000 ] - [ 0.0003500200000000, 0.0001314300000000, -0.0000041700000000 ] - [ 0.0010155200000000, -0.0008253200000000, -0.0025941200000000 ] - [ -0.0014024900000000, -0.0004026300000000, -0.0022847800000000 ] - [ -0.0003859400000000, -0.0005603300000000, 0.0009734300000000 ] - [ -0.0004947300000000, -0.0007513400000000, 0.0006272600000000 ] - [ 0.0007945200000000, 0.0021735800000000, 0.0001929100000000 ] - [ 0.0004959500000000, 0.0018316000000000, 0.0005770700000000 ] - [ 0.0002425600000000, -0.0007713600000000, -0.0011524300000000 ] - [ 0.0004728000000000, -0.0009175400000000, -0.0006132400000000 ] - [ -0.0012837200000000, -0.0005723400000000, -0.0014878500000000 ] - [ -0.0003924400000000, -0.0003083700000000, -0.0006783600000000 ] - [ -0.0002037200000000, -0.0001178900000000, 0.0003191500000000 ] - [ -0.0002816200000000, -0.0002051800000000, 0.0003182600000000 ] - [ 0.0000014000000000, 0.0016098200000000, 0.0000102000000000 ] - [ -0.0002702300000000, 0.0015873700000000, 0.0000631700000000 ] - [ 0.0002511600000000, -0.0009433200000000, 0.0011137100000000 ] - [ 0.0001449800000000, -0.0007003100000000, -0.0004830000000000 ] - [ -0.0001290400000000, -0.0026166200000000, 0.0011503700000000 ] - [ -0.0000262700000000, -0.0007841100000000, 0.0004779000000000 ] - [ 0.0123265800000000, -0.0022846800000000, 0.0049836600000000 ] - [ -0.0054044500000000, -0.0030398600000000, -0.0016981500000000 ] - [ 0.0000227800000000, 0.0000729500000000, -0.0002995800000000 ] - [ 0.0003098500000000, -0.0001571000000000, -0.0002643900000000 ] - [ 0.0002770100000000, -0.0012049900000000, 0.0024025400000000 ] - [ -0.0009223600000000, -0.0004143900000000, 0.0018066900000000 ] - [ 0.0000681800000000, -0.0004222100000000, 0.0012926600000000 ] - [ -0.0000140200000000, -0.0002240300000000, 0.0008992400000000 ] - [ -0.0006926300000000, -0.0033546200000000, -0.0032121500000000 ] - [ 0.0006725900000000, -0.0022959800000000, -0.0026657200000000 ] - [ -0.0000785800000000, -0.0001489100000000, -0.0021035700000000 ] - [ 0.0000584400000000, -0.0002539800000000, -0.0010938900000000 ] - [ -0.0093937200000000, 0.0006518300000000, 0.0064226100000000 ] - [ 0.0090639900000000, -0.0000629300000000, 0.0066612200000000 ] - [ -0.0006562700000000, -0.0004148200000000, 0.0045779000000000 ] - [ -0.0000974000000000, 0.0001872800000000, 0.0004358300000000 ] - [ -0.0003628400000000, -0.0039537100000000, -0.0005078800000000 ] - [ -0.0006445300000000, -0.0027416500000000, 0.0003255000000000 ] - [ -0.0000761200000000, -0.0004755400000000, -0.0001500800000000 ] - [ 0.0002059700000000, -0.0003599000000000, 0.0000073900000000 ] - [ 0.0022904600000000, 0.0008677800000000, 0.0036663100000000 ] - [ -0.0007168000000000, 0.0013048800000000, 0.0011652000000000 ] - [ -0.0067375900000000, 0.0156178100000000, -0.0035286800000000 ] - [ 0.0000173900000000, 0.0013468800000000, -0.0000910900000000 ] - [ -0.0002173100000000, -0.0005218600000000, 0.0000369300000000 ] - [ -0.0001296700000000, -0.0005223000000000, -0.0000873000000000 ] - [ -0.0000364600000000, -0.0006731000000000, -0.0000665500000000 ] - [ 0.0002140400000000, -0.0003491500000000, -0.0000615500000000 ] - [ 0.0000145500000000, 0.0000835000000000, 0.0004617900000000 ] - [ 0.0001773200000000, -0.0000046100000000, 0.0000924000000000 ] - [ -0.0003686400000000, -0.0058644700000000, -0.0009811900000000 ] - [ 0.0000406200000000, -0.0017683500000000, 0.0000156800000000 ] - [ -0.0008775100000000, 0.0025110500000000, -0.0015880900000000 ] - [ 0.0005808100000000, 0.0026928800000000, -0.0015903800000000 ] - [ -0.0001976000000000, 0.0009464400000000, -0.0033920400000000 ] - [ 0.0002706200000000, 0.0002976200000000, -0.0008707100000000 ] - [ -0.0000202400000000, -0.0000027700000000, 0.0003034800000000 ] - [ 0.0001721100000000, 0.0001369800000000, 0.0001924100000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002446000000000, 0.0010688900000000, 0.0003757100000000 ] - [ 0.0000761800000000, 0.0000397700000000, 0.0001610500000000 ] - [ 0.0005582000000000, 0.0009480200000000, 0.0019969500000000 ] - [ 0.0000340100000000, 0.0010320300000000, 0.0025784300000000 ] - [ 0.0003104000000000, 0.0004761400000000, -0.0018766600000000 ] - [ -0.0000847900000000, 0.0001390900000000, -0.0005615800000000 ] - [ -0.0004145900000000, 0.0010847100000000, -0.0003125100000000 ] - [ -0.0000355600000000, 0.0001514200000000, -0.0001304500000000 ] - [ 0.0001426600000000, 0.0009116300000000, -0.0009816400000000 ] - [ -0.0006013800000000, 0.0000097100000000, -0.0002554800000000 ] - [ -0.0018849500000000, 0.0030209200000000, 0.0025935700000000 ] - [ -0.0001376100000000, 0.0004392800000000, 0.0015371100000000 ] - [ 0.0006747500000000, -0.0000558700000000, -0.0008178100000000 ] - [ 0.0007980700000000, -0.0001413100000000, -0.0004923000000000 ] - [ 0.0006798500000000, 0.0011298900000000, 0.0002751000000000 ] - [ 0.0005802300000000, 0.0001507700000000, -0.0000902200000000 ] - [ -0.0011524700000000, 0.0001617300000000, -0.0018925800000000 ] - [ -0.0004389800000000, -0.0000542700000000, -0.0008781500000000 ] - [ -0.0009220000000000, -0.0005806600000000, 0.0003195800000000 ] - [ -0.0003247400000000, -0.0000986700000000, 0.0003342100000000 ] - [ 0.0005560600000000, -0.0006144300000000, 0.0001514200000000 ] - [ 0.0001005500000000, -0.0004025000000000, 0.0002864700000000 ] - [ 0.0004934500000000, 0.0006590300000000, 0.0008199900000000 ] - [ 0.0002416400000000, 0.0002706500000000, 0.0008089800000000 ] - [ 0.0001443800000000, 0.0002379800000000, -0.0016054500000000 ] - [ -0.0002265700000000, -0.0000794000000000, -0.0001254500000000 ] - [ 0.0001776200000000, -0.0004145200000000, -0.0002971700000000 ] - [ -0.0005852900000000, -0.0001530000000000, -0.0003764300000000 ] - [ 0.0003349400000000, -0.0008389400000000, -0.0006151500000000 ] - [ 0.0004981900000000, -0.0002939500000000, -0.0003146600000000 ] - [ 0.0011269500000000, 0.0001698800000000, 0.0021955000000000 ] - [ 0.0004663900000000, 0.0000935000000000, 0.0010461300000000 ] - [ 0.0029080300000000, 0.0011644100000000, -0.0038815100000000 ] - [ -0.0007212300000000, 0.0003666100000000, -0.0002717800000000 ] - [ -0.0002728800000000, -0.0002995700000000, 0.0005631400000000 ] - [ -0.0001977900000000, 0.0000040000000000, 0.0005678000000000 ] - [ 0.0003114300000000, 0.0001504800000000, -0.0003038000000000 ] - [ 0.0004267100000000, 0.0001892600000000, -0.0002502000000000 ] - [ -0.0007591100000000, -0.0037615400000000, 0.0180393100000000 ] - [ 0.0005144000000000, -0.0001776000000000, -0.0000585800000000 ] - [ -0.0020841000000000, 0.0041313000000000, -0.0006162700000000 ] - [ 0.0000405300000000, 0.0003235800000000, 0.0000750700000000 ] - [ -0.0000588100000000, 0.0001145800000000, -0.0008874500000000 ] - [ -0.0000777100000000, 0.0000708800000000, -0.0005544200000000 ] - [ 0.0006584900000000, -0.0009301500000000, 0.0006468700000000 ] - [ 0.0001135800000000, 0.0007202000000000, 0.0006508000000000 ] - [ 0.0006204000000000, 0.0055017000000000, -0.0013691900000000 ] - [ 0.0000537800000000, 0.0002970400000000, 0.0002569000000000 ] - [ -0.0003821800000000, 0.0000478700000000, 0.0004101700000000 ] - [ -0.0005493700000000, 0.0003877300000000, 0.0013221000000000 ] - [ -0.0008085600000000, -0.0000757300000000, -0.0013521100000000 ] - [ -0.0005084300000000, 0.0001626500000000, -0.0004252400000000 ] - [ -0.0007404900000000, 0.0000592100000000, 0.0017345600000000 ] - [ 0.0012402400000000, -0.0003985200000000, 0.0001030900000000 ] - [ 0.0000931500000000, 0.0007809600000000, -0.0010106300000000 ] - [ 0.0003765700000000, 0.0000437100000000, -0.0001370200000000 ] - [ 0.0001967000000000, 0.0015018200000000, -0.0001110500000000 ] - [ -0.0039147700000000, 0.0029415900000000, 0.0023590200000000 ] - [ -0.0007667300000000, -0.0012589400000000, -0.0003829600000000 ] - [ -0.0006522800000000, -0.0010042400000000, 0.0000966800000000 ] - [ 0.0000790200000000, 0.0004753600000000, 0.0013242200000000 ] - [ 0.0004126200000000, 0.0005867900000000, 0.0009096800000000 ] - [ -0.0008907100000000, 0.0026696500000000, -0.0062431300000000 ] - [ 0.0004608900000000, -0.0006863000000000, -0.0008260500000000 ] - [ -0.0040193500000000, -0.0006291400000000, -0.0035361600000000 ] - [ 0.0002977200000000, 0.0005080700000000, -0.0007557400000000 ] - [ -0.0000976500000000, -0.0004761400000000, -0.0003325900000000 ] - [ -0.0001868000000000, -0.0004583400000000, -0.0000551500000000 ] - [ 0.0002603800000000, 0.0000727300000000, 0.0008144200000000 ] - [ 0.0003324100000000, 0.0003546900000000, 0.0008676000000000 ] - [ 0.0071315800000000, 0.0002532200000000, 0.0170639000000000 ] - [ 0.0004227200000000, -0.0002642700000000, -0.0001400500000000 ] - [ -0.0000696600000000, -0.0042993100000000, 0.0020414000000000 ] - [ -0.0001036200000000, -0.0005188000000000, 0.0003367900000000 ] - [ -0.0042250700000000, 0.0003882500000000, -0.0049191200000000 ] - [ -0.0000008600000000, -0.0027771400000000, -0.0059481100000000 ] - [ 0.0000810700000000, -0.0008644800000000, 0.0025549100000000 ] - [ 0.0000590600000000, -0.0004230800000000, 0.0007400200000000 ] - [ 0.0009300800000000, -0.0033813400000000, -0.0010007200000000 ] - [ 0.0000185700000000, -0.0001169200000000, 0.0003245100000000 ] - [ 0.0003623100000000, -0.0025205000000000, 0.0050095900000000 ] - [ -0.0001503400000000, -0.0003842400000000, 0.0015832900000000 ] - [ 0.0007637400000000, 0.0017499100000000, -0.0007559200000000 ] - [ -0.0005205700000000, 0.0008668600000000, -0.0008021800000000 ] - [ -0.0002249100000000, 0.0009573100000000, 0.0005655600000000 ] - [ 0.0002064500000000, -0.0001930600000000, -0.0002029600000000 ] - [ -0.0006472400000000, -0.0011426200000000, -0.0013984000000000 ] - [ 0.0001912400000000, -0.0026832200000000, -0.0047050200000000 ] - [ -0.0053544000000000, -0.0125551500000000, 0.0148687600000000 ] - [ 0.0001290700000000, -0.0003913900000000, -0.0000646300000000 ] - [ -0.0001933600000000, 0.0007894700000000, -0.0006794900000000 ] - [ -0.0000064800000000, -0.0002448500000000, -0.0013852400000000 ] - [ 0.0002939300000000, -0.0000842200000000, 0.0012298200000000 ] - [ 0.0001444100000000, -0.0001245200000000, 0.0006646100000000 ] - [ 0.0165710600000000, -0.0049295100000000, 0.0089448900000000 ] - [ -0.0007784700000000, -0.0000830200000000, 0.0007894600000000 ] - [ -0.0065696700000000, 0.0036707400000000, -0.0535170100000000 ] - [ -0.0002116600000000, 0.0003037800000000, -0.0003862100000000 ] - [ 0.0001339800000000, -0.0001270700000000, -0.0000968200000000 ] - [ -0.0004365100000000, -0.0002504800000000, -0.0000969600000000 ] - [ -0.0000599900000000, 0.0001425900000000, 0.0001464200000000 ] - [ 0.0003066900000000, 0.0001486900000000, -0.0000148500000000 ] - [ -0.0002014600000000, 0.0002491900000000, 0.0020720000000000 ] - [ 0.0002902400000000, -0.0001203900000000, 0.0005488500000000 ] - [ -0.0001683400000000, -0.0003230800000000, -0.0013469900000000 ] - [ -0.0000638300000000, -0.0006496300000000, -0.0002042400000000 ] - [ 0.0038174400000000, 0.0023524000000000, 0.0001643300000000 ] - [ -0.0030839600000000, 0.0023103100000000, 0.0000769100000000 ] - [ -0.0024703400000000, 0.0025194100000000, 0.0042595000000000 ] - [ 0.0009126600000000, -0.0000073700000000, -0.0001090300000000 ] - [ -0.0001135500000000, 0.0003138900000000, 0.0015483200000000 ] - [ 0.0002388700000000, 0.0005054200000000, 0.0010032500000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0003659400000000, -0.0011533800000000, -0.0003050300000000 ] - [ 0.0000430700000000, -0.0001158800000000, -0.0000870500000000 ] - [ -0.0004515900000000, -0.0008775500000000, -0.0020894000000000 ] - [ 0.0001626900000000, -0.0009156200000000, -0.0026401300000000 ] - [ -0.0004245400000000, -0.0005486900000000, 0.0017986700000000 ] - [ -0.0000354700000000, -0.0002141700000000, 0.0004876600000000 ] - [ 0.0002932500000000, -0.0010058200000000, 0.0003933900000000 ] - [ -0.0000827600000000, -0.0000777300000000, 0.0002122700000000 ] - [ -0.0012172100000000, -0.0010238800000000, 0.0006081900000000 ] - [ -0.0004674100000000, -0.0001146500000000, -0.0001218700000000 ] - [ 0.0007048500000000, -0.0028278900000000, -0.0022508800000000 ] - [ -0.0009242200000000, -0.0003304700000000, -0.0011423600000000 ] - [ 0.0004002100000000, -0.0000475100000000, 0.0011939900000000 ] - [ 0.0002658000000000, 0.0000396000000000, 0.0008674000000000 ] - [ 0.0003901400000000, -0.0010181200000000, -0.0006429500000000 ] - [ 0.0004877100000000, -0.0000464700000000, -0.0002826400000000 ] - [ 0.0002078400000000, -0.0002914000000000, 0.0010379800000000 ] - [ -0.0005159900000000, -0.0000746900000000, 0.0000212900000000 ] - [ -0.0000328800000000, 0.0007038800000000, 0.0005461400000000 ] - [ -0.0006277100000000, 0.0002265400000000, 0.0005304700000000 ] - [ 0.0003905100000000, 0.0004901600000000, 0.0007023500000000 ] - [ 0.0008519100000000, 0.0002779900000000, 0.0005706300000000 ] - [ 0.0004212500000000, -0.0005555200000000, -0.0016585500000000 ] - [ 0.0007210200000000, -0.0001415600000000, -0.0016563600000000 ] - [ -0.0007584700000000, -0.0003899700000000, 0.0020960700000000 ] - [ -0.0003901900000000, -0.0000676400000000, 0.0006132200000000 ] - [ -0.0007892100000000, 0.0005617900000000, -0.0001795800000000 ] - [ -0.0000293800000000, 0.0003006300000000, -0.0001024400000000 ] - [ 0.0002813300000000, 0.0006982800000000, 0.0001255200000000 ] - [ 0.0001178600000000, 0.0001469700000000, -0.0001731700000000 ] - [ -0.0004690200000000, -0.0000472000000000, -0.0016803700000000 ] - [ 0.0001326900000000, 0.0000548600000000, -0.0005592800000000 ] - [ -0.0035234200000000, -0.0009198900000000, 0.0036442900000000 ] - [ 0.0001307100000000, -0.0001103300000000, 0.0000044600000000 ] - [ -0.0003201600000000, 0.0000450300000000, -0.0002940000000000 ] - [ -0.0003960500000000, -0.0002595700000000, -0.0002985700000000 ] - [ 0.0002861900000000, 0.0001082200000000, 0.0005704500000000 ] - [ 0.0001660700000000, 0.0000677100000000, 0.0005173300000000 ] - [ 0.0016028000000000, 0.0032323000000000, -0.0171298700000000 ] - [ 0.0000800200000000, -0.0000791300000000, -0.0002006200000000 ] - [ 0.0019001100000000, -0.0042358700000000, 0.0010372000000000 ] - [ -0.0002088400000000, -0.0004510600000000, 0.0003551900000000 ] - [ -0.0001068700000000, 0.0000209500000000, 0.0004637700000000 ] - [ -0.0000911400000000, 0.0000601900000000, 0.0001314800000000 ] - [ -0.0004990900000000, 0.0008230300000000, -0.0010819700000000 ] - [ 0.0000537600000000, -0.0008337600000000, -0.0010707800000000 ] - [ -0.0004586300000000, -0.0054181500000000, 0.0018049200000000 ] - [ 0.0001142200000000, -0.0001680200000000, 0.0001645700000000 ] - [ -0.0003791800000000, -0.0001755500000000, -0.0002988200000000 ] - [ -0.0002008400000000, -0.0005103400000000, -0.0012054900000000 ] - [ 0.0000586800000000, 0.0002026000000000, 0.0012599100000000 ] - [ -0.0002439700000000, -0.0000417500000000, 0.0003314700000000 ] - [ 0.0014950200000000, -0.0001627400000000, -0.0018080700000000 ] - [ -0.0005117600000000, 0.0002891200000000, -0.0001835200000000 ] - [ 0.0006584300000000, -0.0006684900000000, 0.0011049800000000 ] - [ 0.0003717900000000, 0.0000746800000000, 0.0002283400000000 ] - [ -0.0011903900000000, 0.0002537000000000, -0.0009093600000000 ] - [ 0.0028998300000000, -0.0011710000000000, -0.0033579300000000 ] - [ -0.0002186800000000, -0.0004886400000000, 0.0014242500000000 ] - [ -0.0003345900000000, -0.0007444000000000, 0.0009440600000000 ] - [ 0.0009050500000000, 0.0012751800000000, -0.0002775800000000 ] - [ 0.0005727000000000, 0.0011655200000000, 0.0001355700000000 ] - [ 0.0018827900000000, -0.0044375000000000, 0.0052289500000000 ] - [ 0.0005228100000000, -0.0010623100000000, -0.0002180600000000 ] - [ 0.0035805800000000, 0.0013897400000000, 0.0028934500000000 ] - [ -0.0007094200000000, 0.0002512900000000, 0.0001357800000000 ] - [ -0.0003189000000000, -0.0002783500000000, 0.0009640400000000 ] - [ -0.0002310700000000, -0.0002970600000000, 0.0006856900000000 ] - [ 0.0001559600000000, 0.0006863600000000, -0.0001878300000000 ] - [ 0.0000849900000000, 0.0004013500000000, -0.0002407400000000 ] - [ -0.0070775500000000, -0.0008406900000000, -0.0189708700000000 ] - [ -0.0000031900000000, -0.0004895600000000, -0.0004942800000000 ] - [ -0.0002496300000000, 0.0037061700000000, -0.0013955900000000 ] - [ -0.0002146400000000, -0.0001052600000000, 0.0003202100000000 ] - [ 0.0039765700000000, 0.0002197000000000, 0.0043066900000000 ] - [ -0.0003284000000000, 0.0033581600000000, 0.0052603300000000 ] - [ 0.0002293200000000, 0.0002316700000000, -0.0032009900000000 ] - [ 0.0002668800000000, -0.0002024300000000, -0.0013881200000000 ] - [ -0.0005992700000000, 0.0039784100000000, 0.0016282800000000 ] - [ 0.0003056200000000, 0.0007413500000000, 0.0003146400000000 ] - [ -0.0003764300000000, 0.0021061800000000, -0.0034095000000000 ] - [ 0.0001492400000000, -0.0000467500000000, 0.0000345700000000 ] - [ -0.0007649800000000, -0.0013192900000000, -0.0008700200000000 ] - [ 0.0005138500000000, -0.0004491500000000, -0.0008272800000000 ] - [ 0.0002366700000000, -0.0014017100000000, -0.0021692000000000 ] - [ -0.0002012100000000, -0.0002397700000000, -0.0014036300000000 ] - [ 0.0007026200000000, 0.0015724200000000, 0.0029692900000000 ] - [ -0.0002295600000000, 0.0030976000000000, 0.0062368800000000 ] - [ 0.0050356600000000, 0.0125036200000000, -0.0149657500000000 ] - [ -0.0004682900000000, 0.0002377200000000, 0.0001405600000000 ] - [ -0.0001416700000000, -0.0006532700000000, 0.0006154500000000 ] - [ -0.0003278500000000, 0.0003894000000000, 0.0013193400000000 ] - [ 0.0000386300000000, -0.0000749800000000, -0.0012910500000000 ] - [ 0.0001948400000000, -0.0000303900000000, -0.0007259100000000 ] - [ -0.0160855500000000, 0.0050193800000000, -0.0087567300000000 ] - [ 0.0011134100000000, 0.0002310000000000, -0.0007396400000000 ] - [ 0.0063174100000000, -0.0032920700000000, 0.0535256800000000 ] - [ -0.0000877000000000, 0.0000663800000000, 0.0004438000000000 ] - [ -0.0004373400000000, -0.0002424900000000, 0.0000448800000000 ] - [ 0.0001374100000000, -0.0001176300000000, 0.0000448700000000 ] - [ 0.0003593100000000, 0.0002229500000000, -0.0002055300000000 ] - [ -0.0000037200000000, 0.0002176200000000, -0.0000424800000000 ] - [ 0.0005064700000000, -0.0006181600000000, -0.0020148700000000 ] - [ 0.0000086000000000, -0.0002474900000000, -0.0004919300000000 ] - [ -0.0000401000000000, -0.0008377700000000, 0.0020584500000000 ] - [ -0.0001436100000000, -0.0005284800000000, 0.0009113700000000 ] - [ -0.0040526300000000, -0.0011834500000000, -0.0008500100000000 ] - [ 0.0028884400000000, -0.0011352500000000, -0.0007527700000000 ] - [ 0.0026517900000000, -0.0036706800000000, -0.0049557100000000 ] - [ -0.0006943100000000, -0.0011675600000000, -0.0006011900000000 ] - [ 0.0003258900000000, 0.0008696200000000, -0.0008485900000000 ] - [ -0.0000325900000000, 0.0006769900000000, -0.0003037500000000 ]- atom: 105 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0038346900000000, 0.0012668000000000, 0.0010559800000000 ] - [ -0.0020874000000000, 0.0005752100000000, 0.0005033800000000 ] - [ -0.0004138800000000, -0.0003590100000000, -0.0000751700000000 ] - [ 0.0002370800000000, 0.0002157700000000, 0.0000495500000000 ] - [ 0.0005104000000000, 0.0001548700000000, -0.0002186400000000 ] - [ -0.0006441400000000, -0.0002287800000000, 0.0000821000000000 ] - [ 0.0000659300000000, 0.0008527500000000, -0.0015649400000000 ] - [ -0.0009548000000000, -0.0003755900000000, 0.0011189000000000 ] - [ 0.0025015600000000, 0.0003390000000000, -0.0010163900000000 ] - [ -0.0022439800000000, -0.0004685600000000, 0.0001067200000000 ] - [ 0.0003744200000000, -0.0007254100000000, 0.0008865100000000 ] - [ -0.0018678000000000, 0.0008755300000000, -0.0006524600000000 ] - [ 0.0010591000000000, 0.0001014100000000, -0.0004400000000000 ] - [ -0.0000046800000000, -0.0001376800000000, 0.0007666100000000 ] - [ 0.0040334100000000, 0.0010847400000000, 0.0000571800000000 ] - [ -0.0022550600000000, -0.0006634900000000, -0.0001672500000000 ] - [ -0.0001742000000000, -0.0001943800000000, -0.0004143300000000 ] - [ -0.0008545400000000, -0.0000101600000000, -0.0005856700000000 ] - [ 0.0016947900000000, 0.0003880000000000, -0.0008045700000000 ] - [ -0.0022180400000000, -0.0001478500000000, 0.0013285500000000 ] - [ 0.0072745200000000, -0.0002112000000000, 0.0027170200000000 ] - [ -0.0018871300000000, 0.0001766000000000, -0.0002757000000000 ] - [ 0.0036326700000000, -0.0027484800000000, -0.0003894600000000 ] - [ -0.0039005800000000, -0.0007198000000000, -0.0004230500000000 ] - [ 0.0003943100000000, -0.0000869500000000, -0.0000488300000000 ] - [ -0.0009273300000000, -0.0001327500000000, 0.0003917900000000 ] - [ -0.0006705700000000, -0.0008010900000000, 0.0008626700000000 ] - [ -0.0006257800000000, 0.0010286000000000, -0.0019472600000000 ] - [ 0.0074527900000000, -0.0006927200000000, -0.0008449900000000 ] - [ -0.0020765600000000, -0.0003624600000000, 0.0005233300000000 ] - [ 0.0058408800000000, 0.0055756500000000, 0.0001648300000000 ] - [ -0.0039407700000000, 0.0007146300000000, -0.0001077000000000 ] - [ 0.0008283700000000, -0.0003542400000000, -0.0001716600000000 ] - [ -0.0013349800000000, 0.0004975500000000, -0.0001754700000000 ] - [ 0.0043585500000000, 0.0053587900000000, -0.0028424200000000 ] - [ -0.0049949000000000, 0.0005830100000000, -0.0028866200000000 ] - [ 0.0009390700000000, 0.0001803300000000, -0.0005836200000000 ] - [ -0.0003753300000000, 0.0001049600000000, 0.0005247000000000 ] - [ 0.0020648300000000, -0.0009620100000000, -0.0004495900000000 ] - [ -0.0013878300000000, 0.0004710400000000, -0.0000331900000000 ] - [ 0.0006888900000000, -0.0014486800000000, -0.0008625600000000 ] - [ -0.0011877100000000, 0.0007503100000000, 0.0012224800000000 ] - [ 0.0003434500000000, 0.0003966600000000, -0.0002371400000000 ] - [ -0.0005073000000000, -0.0001625700000000, -0.0002486200000000 ] - [ -0.0009043300000000, -0.0048825200000000, -0.0002293200000000 ] - [ -0.0009148300000000, 0.0056087400000000, -0.0014443200000000 ] - [ 0.0009171100000000, -0.0010880900000000, -0.0001823200000000 ] - [ -0.0005260900000000, 0.0001787200000000, 0.0004132800000000 ] - [ -0.0045596000000000, -0.0005239900000000, 0.0039150500000000 ] - [ -0.0007863300000000, -0.0005637300000000, -0.0044276700000000 ] - [ 0.0020800300000000, 0.0002469900000000, -0.0002104500000000 ] - [ -0.0012128800000000, 0.0000596900000000, -0.0001793900000000 ] - [ 0.0007545100000000, 0.0012065300000000, -0.0009553500000000 ] - [ -0.0001130700000000, -0.0007150500000000, 0.0008073400000000 ] - [ 0.0010989800000000, -0.0006306500000000, -0.0006367800000000 ] - [ -0.0004348500000000, 0.0001979100000000, 0.0000510900000000 ] - [ -0.0030932200000000, 0.0031592800000000, 0.0029443200000000 ] - [ -0.0005261900000000, -0.0018655200000000, -0.0042150000000000 ] - [ 0.0018943100000000, -0.0008276300000000, 0.0003561300000000 ] - [ -0.0014455800000000, -0.0009811700000000, 0.0003081800000000 ] - [ 0.0009525200000000, 0.0053382200000000, -0.0047348500000000 ] - [ -0.0027806200000000, -0.0015484000000000, 0.0039624800000000 ] - [ 0.0009747300000000, -0.0010485600000000, -0.0004934100000000 ] - [ -0.0000200300000000, -0.0008394100000000, -0.0006071100000000 ] - [ 0.0000174300000000, -0.0003672500000000, -0.0012574000000000 ] - [ -0.0004598600000000, 0.0009629800000000, 0.0005319500000000 ] - [ 0.0006040000000000, -0.0005262900000000, -0.0000576300000000 ] - [ -0.0010281600000000, -0.0001802000000000, 0.0005020300000000 ] - [ -0.0053058000000000, -0.0024702600000000, -0.0003135300000000 ] - [ 0.0079174300000000, -0.0012135300000000, -0.0021717000000000 ] - [ 0.0013685300000000, -0.0001778200000000, -0.0004299800000000 ] - [ -0.0008472000000000, -0.0006896600000000, -0.0001423600000000 ] - [ -0.0048444100000000, 0.0019926000000000, 0.0027172900000000 ] - [ 0.0027763500000000, -0.0010345900000000, -0.0007231600000000 ] - [ -0.0002823000000000, 0.0035597700000000, -0.0021769700000000 ] - [ 0.0006633300000000, -0.0027399700000000, 0.0015561400000000 ] - [ -0.0009000200000000, -0.0009014900000000, 0.0001841600000000 ] - [ 0.0013706600000000, 0.0000496800000000, -0.0004774900000000 ] - [ -0.0019225900000000, 0.0004323600000000, 0.0090207300000000 ] - [ 0.0054775300000000, 0.0012872600000000, -0.0034772400000000 ] - [ -0.0008794300000000, 0.0003008400000000, 0.0013380000000000 ] - [ 0.0008468000000000, -0.0003778100000000, 0.0006352100000000 ] - [ -0.0024019000000000, -0.0040180300000000, 0.0047168900000000 ] - [ 0.0022201900000000, 0.0026395100000000, -0.0041697200000000 ] - [ -0.0158220200000000, -0.0005697000000000, -0.0000793600000000 ] - [ 0.0039078300000000, -0.0001434000000000, -0.0008120900000000 ] - [ 0.0126570200000000, -0.0057009800000000, -0.0056852400000000 ] - [ 0.0125718900000000, 0.0077069800000000, 0.0078880400000000 ] - [ -0.0018970300000000, 0.0002658700000000, 0.0005172300000000 ] - [ 0.0015252200000000, 0.0001193500000000, -0.0003603500000000 ] - [ 0.0123411200000000, 0.0126864600000000, -0.0024592400000000 ] - [ 0.0108163000000000, -0.0135354800000000, 0.0092222900000000 ] - [ -0.0014100100000000, -0.0002090200000000, 0.0006209300000000 ] - [ 0.0018901800000000, 0.0000586300000000, -0.0002362400000000 ] - [ -0.0028140100000000, 0.0025283500000000, 0.0026260400000000 ] - [ 0.0031411000000000, -0.0014925700000000, -0.0020234900000000 ] - [ -0.0034210500000000, 0.0004439800000000, -0.0000373700000000 ] - [ 0.0016664100000000, 0.0000395400000000, 0.0000680700000000 ] - [ 0.0013817400000000, 0.0005057400000000, 0.0029480400000000 ] - [ 0.0014866600000000, -0.0009696700000000, -0.0039777900000000 ] - [ -0.0018896500000000, -0.0001239200000000, -0.0025947200000000 ] - [ 0.0016782000000000, 0.0003518800000000, 0.0007779700000000 ] - [ -0.0001773800000000, -0.0000597900000000, 0.0002486000000000 ] - [ 0.0004677400000000, -0.0002505100000000, -0.0001072400000000 ] - [ -0.0547440300000000, -0.0091908600000000, -0.0002950000000000 ] - [ 0.0066355000000000, -0.0004452300000000, 0.0002733100000000 ] - [ 0.0016528700000000, -0.0022796700000000, 0.0024964900000000 ] - [ 0.0016418800000000, 0.0035113200000000, -0.0034228000000000 ] - [ -0.0015213200000000, -0.0003228400000000, -0.0007864500000000 ] - [ 0.0017118000000000, -0.0006864900000000, 0.0001199200000000 ] - [ -0.0007826900000000, 0.0001482800000000, 0.0009648200000000 ] - [ 0.0009662000000000, 0.0009059200000000, -0.0000365400000000 ]- atom: 105 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0036952300000000, -0.0013629200000000, -0.0010138200000000 ] - [ 0.0022035100000000, -0.0006459200000000, -0.0004205600000000 ] - [ 0.0005308200000000, 0.0004380400000000, -0.0000007900000000 ] - [ -0.0001118400000000, -0.0001334900000000, -0.0001245300000000 ] - [ -0.0006316600000000, -0.0002297400000000, 0.0001400900000000 ] - [ 0.0005251500000000, 0.0001506200000000, -0.0001581100000000 ] - [ -0.0001588400000000, -0.0007786000000000, 0.0016469000000000 ] - [ 0.0008297100000000, 0.0004581500000000, -0.0010495100000000 ] - [ -0.0035465900000000, -0.0004471900000000, 0.0006279600000000 ] - [ 0.0011682200000000, 0.0003648300000000, -0.0004762800000000 ] - [ -0.0014536300000000, 0.0008338900000000, -0.0005127700000000 ] - [ 0.0007941600000000, -0.0007646400000000, 0.0010254000000000 ] - [ 0.0000083200000000, -0.0002047100000000, 0.0008133200000000 ] - [ 0.0010822000000000, 0.0000301900000000, -0.0003915900000000 ] - [ -0.0029366600000000, -0.0009721400000000, -0.0004192200000000 ] - [ 0.0033279900000000, 0.0007708000000000, -0.0002145900000000 ] - [ -0.0007778300000000, 0.0000669400000000, -0.0004462300000000 ] - [ -0.0000880600000000, -0.0001153900000000, -0.0002689200000000 ] - [ -0.0026341800000000, -0.0002631900000000, 0.0016564200000000 ] - [ 0.0012685100000000, 0.0002749900000000, -0.0004736000000000 ] - [ -0.0062820400000000, 0.0001190400000000, -0.0019270000000000 ] - [ 0.0028326600000000, -0.0003056400000000, 0.0011374200000000 ] - [ -0.0028929800000000, 0.0031453300000000, -0.0003916800000000 ] - [ 0.0048534700000000, 0.0008295300000000, -0.0004394600000000 ] - [ -0.0010128200000000, -0.0000608900000000, 0.0005328600000000 ] - [ 0.0003054400000000, -0.0000120000000000, 0.0000987200000000 ] - [ 0.0000429100000000, 0.0009480500000000, -0.0013552100000000 ] - [ 0.0000072600000000, -0.0008800500000000, 0.0014520500000000 ] - [ -0.0068706200000000, 0.0005894600000000, 0.0002439700000000 ] - [ 0.0026912600000000, 0.0002122000000000, -0.0010041400000000 ] - [ -0.0050102400000000, -0.0051147600000000, 0.0003802500000000 ] - [ 0.0045477900000000, -0.0005859900000000, 0.0005924900000000 ] - [ -0.0014163800000000, 0.0006071900000000, -0.0000907600000000 ] - [ 0.0007354300000000, -0.0002383400000000, -0.0000816700000000 ] - [ -0.0051312600000000, -0.0058721200000000, 0.0032433700000000 ] - [ 0.0043884200000000, -0.0008255800000000, 0.0031406700000000 ] - [ -0.0003510200000000, 0.0000748800000000, 0.0008420900000000 ] - [ 0.0009749200000000, 0.0001529800000000, -0.0002622800000000 ] - [ -0.0014650700000000, 0.0007079100000000, 0.0001871400000000 ] - [ 0.0019804200000000, -0.0007297200000000, -0.0002303000000000 ] - [ -0.0008372400000000, 0.0013351000000000, 0.0012904700000000 ] - [ 0.0010219600000000, -0.0008873000000000, -0.0007992200000000 ] - [ -0.0005133300000000, -0.0002666500000000, -0.0001936300000000 ] - [ 0.0003433600000000, 0.0002896600000000, -0.0001786400000000 ] - [ 0.0010606000000000, 0.0047689500000000, -0.0002081700000000 ] - [ 0.0010767200000000, -0.0057063400000000, 0.0010106300000000 ] - [ -0.0007447200000000, 0.0011918400000000, 0.0006056600000000 ] - [ 0.0006910100000000, -0.0000445600000000, 0.0000159900000000 ] - [ 0.0038258500000000, 0.0003988200000000, -0.0038413200000000 ] - [ 0.0000537700000000, 0.0004391400000000, 0.0044697900000000 ] - [ -0.0028309800000000, -0.0001185800000000, 0.0001022800000000 ] - [ 0.0004654000000000, 0.0000513800000000, 0.0000929500000000 ] - [ -0.0000022200000000, -0.0013173900000000, 0.0008575900000000 ] - [ 0.0008589200000000, 0.0006021600000000, -0.0009007800000000 ] - [ -0.0003542800000000, 0.0007261700000000, 0.0007036000000000 ] - [ 0.0011854800000000, -0.0000774900000000, 0.0000480900000000 ] - [ 0.0021008200000000, -0.0014128800000000, -0.0039738700000000 ] - [ -0.0004486800000000, 0.0036049000000000, 0.0031703700000000 ] - [ -0.0028793400000000, -0.0009282200000000, 0.0006697000000000 ] - [ 0.0004639400000000, -0.0007672500000000, 0.0007364300000000 ] - [ 0.0000541800000000, -0.0035601600000000, 0.0057315500000000 ] - [ 0.0037492100000000, 0.0033103100000000, -0.0029354400000000 ] - [ 0.0000065400000000, -0.0007045500000000, -0.0005506400000000 ] - [ 0.0010026600000000, -0.0009100500000000, -0.0004305700000000 ] - [ -0.0004298700000000, 0.0011227700000000, 0.0006239000000000 ] - [ 0.0000404900000000, -0.0002123700000000, -0.0011660700000000 ] - [ -0.0010226600000000, -0.0002279800000000, 0.0006900200000000 ] - [ 0.0006128500000000, -0.0005722700000000, 0.0001307200000000 ] - [ 0.0057412500000000, 0.0032662900000000, 0.0009398800000000 ] - [ -0.0069362800000000, 0.0016530200000000, 0.0027102700000000 ] - [ -0.0009536400000000, -0.0005757300000000, -0.0002011200000000 ] - [ 0.0012623900000000, -0.0000629000000000, -0.0004883900000000 ] - [ 0.0044821000000000, -0.0025513000000000, -0.0020078000000000 ] - [ -0.0030926400000000, 0.0003974600000000, 0.0013612600000000 ] - [ -0.0000275600000000, -0.0029404600000000, 0.0015295200000000 ] - [ -0.0009905300000000, 0.0033447900000000, -0.0021996300000000 ] - [ 0.0012304700000000, 0.0002700500000000, -0.0008222800000000 ] - [ -0.0010579900000000, -0.0006710800000000, -0.0001737100000000 ] - [ 0.0021162000000000, 0.0001678500000000, -0.0083458100000000 ] - [ -0.0051655600000000, -0.0006695700000000, 0.0041542500000000 ] - [ 0.0008766700000000, -0.0007213700000000, 0.0002866700000000 ] - [ -0.0008560400000000, -0.0000577300000000, 0.0009707900000000 ] - [ 0.0023819300000000, 0.0044367700000000, -0.0063097300000000 ] - [ -0.0022180200000000, -0.0022148300000000, 0.0025647400000000 ] - [ 0.0158178700000000, 0.0001102800000000, -0.0014385000000000 ] - [ -0.0038966900000000, -0.0002853200000000, -0.0008133000000000 ] - [ -0.0126509300000000, 0.0062274700000000, 0.0073051800000000 ] - [ -0.0125372000000000, -0.0071726200000000, -0.0062435500000000 ] - [ 0.0015559400000000, -0.0004054600000000, -0.0004472600000000 ] - [ -0.0018569500000000, -0.0002743700000000, 0.0004178000000000 ] - [ -0.0126724000000000, -0.0126703100000000, 0.0024859700000000 ] - [ -0.0110618700000000, 0.0135494800000000, -0.0092276600000000 ] - [ 0.0017622900000000, 0.0000600500000000, -0.0006724800000000 ] - [ -0.0015587100000000, -0.0002093000000000, 0.0001692900000000 ] - [ 0.0031357200000000, -0.0023852600000000, -0.0025517700000000 ] - [ -0.0027985800000000, 0.0016526800000000, 0.0020875300000000 ] - [ 0.0031154100000000, -0.0000846600000000, 0.0000907600000000 ] - [ -0.0019643900000000, 0.0003315400000000, -0.0000117500000000 ] - [ -0.0016705100000000, -0.0008773600000000, -0.0030245100000000 ] - [ -0.0017902300000000, 0.0005978200000000, 0.0038937700000000 ] - [ 0.0022085700000000, 0.0005008900000000, 0.0025274700000000 ] - [ -0.0013765600000000, 0.0000140600000000, -0.0008289500000000 ] - [ 0.0004757400000000, -0.0003082000000000, -0.0001906700000000 ] - [ -0.0001631000000000, -0.0001177300000000, 0.0001641300000000 ] - [ 0.0540404200000000, 0.0079390800000000, 0.0008856400000000 ] - [ -0.0068415000000000, -0.0007287000000000, 0.0004292900000000 ] - [ -0.0018497100000000, 0.0034687600000000, -0.0032086000000000 ] - [ -0.0018603900000000, -0.0023166100000000, 0.0027050600000000 ] - [ 0.0017326600000000, -0.0008586100000000, 0.0000866800000000 ] - [ -0.0015022000000000, -0.0004949500000000, -0.0008181800000000 ] - [ 0.0009835100000000, 0.0010336000000000, -0.0002596300000000 ] - [ -0.0007510600000000, 0.0002733100000000, 0.0007397800000000 ]- atom: 105 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0025443600000000, 0.0070739400000000, 0.0032329300000000 ] - [ 0.0004216200000000, -0.0002258500000000, -0.0002793800000000 ] - [ -0.0001042300000000, -0.0024670200000000, -0.0006015700000000 ] - [ -0.0008689500000000, -0.0029451500000000, -0.0006679100000000 ] - [ 0.0000355200000000, -0.0004931700000000, 0.0001422400000000 ] - [ -0.0001990800000000, -0.0001298000000000, -0.0000542300000000 ] - [ -0.0008150400000000, 0.0019341000000000, -0.0012710100000000 ] - [ -0.0005055500000000, 0.0015038100000000, -0.0006547200000000 ] - [ 0.0021051000000000, -0.0016691900000000, -0.0036889000000000 ] - [ -0.0010776800000000, -0.0004763800000000, -0.0005364100000000 ] - [ 0.0004251100000000, -0.0023846900000000, 0.0005103300000000 ] - [ 0.0000211800000000, -0.0014683400000000, 0.0002834700000000 ] - [ 0.0008170200000000, -0.0002246200000000, 0.0007306000000000 ] - [ 0.0000918800000000, 0.0000364800000000, 0.0007081700000000 ] - [ 0.0013400800000000, 0.0036856100000000, -0.0007346600000000 ] - [ 0.0013779800000000, 0.0011310500000000, -0.0003679300000000 ] - [ -0.0009868200000000, -0.0009175400000000, -0.0010291400000000 ] - [ -0.0003534700000000, -0.0005523800000000, -0.0005073000000000 ] - [ -0.0004711600000000, -0.0011192300000000, 0.0016386300000000 ] - [ -0.0011594800000000, -0.0004692000000000, 0.0011272500000000 ] - [ 0.0001236500000000, 0.0027646700000000, 0.0033748400000000 ] - [ 0.0006205100000000, 0.0007514700000000, 0.0005776600000000 ] - [ -0.0013915900000000, 0.0076887800000000, -0.0000460300000000 ] - [ -0.0047580400000000, 0.0005325200000000, -0.0007855700000000 ] - [ 0.0000123200000000, -0.0011042200000000, -0.0004601200000000 ] - [ -0.0002515500000000, -0.0004665800000000, 0.0001737700000000 ] - [ -0.0006704200000000, -0.0009504600000000, 0.0005515900000000 ] - [ 0.0007581100000000, -0.0009485500000000, 0.0011969000000000 ] - [ -0.0000263600000000, 0.0038875600000000, 0.0004364700000000 ] - [ 0.0001091900000000, 0.0008256600000000, -0.0000494600000000 ] - [ 0.0036332700000000, 0.0089485200000000, -0.0003039100000000 ] - [ 0.0052564200000000, 0.0005957300000000, 0.0002151600000000 ] - [ 0.0002395400000000, -0.0018282500000000, 0.0000744500000000 ] - [ 0.0001112000000000, -0.0007041100000000, 0.0001074000000000 ] - [ 0.0026343600000000, 0.0087548300000000, -0.0039599800000000 ] - [ 0.0027919900000000, 0.0000595600000000, 0.0019657100000000 ] - [ 0.0008512400000000, 0.0009772800000000, -0.0001075200000000 ] - [ 0.0005770800000000, 0.0006844600000000, -0.0000785000000000 ] - [ -0.0000928700000000, -0.0013142300000000, -0.0022599800000000 ] - [ 0.0009037400000000, -0.0006601900000000, -0.0007184400000000 ] - [ 0.0001390200000000, 0.0009807400000000, -0.0003553400000000 ] - [ 0.0004185200000000, 0.0006910300000000, -0.0003951500000000 ] - [ 0.0001787100000000, 0.0012592200000000, -0.0000488100000000 ] - [ -0.0001176400000000, 0.0008477700000000, -0.0003118100000000 ] - [ -0.0015808000000000, -0.0053752600000000, -0.0001288400000000 ] - [ 0.0010762600000000, -0.0044790000000000, 0.0002968100000000 ] - [ 0.0004847300000000, -0.0071074700000000, -0.0006677400000000 ] - [ 0.0000546000000000, -0.0013505100000000, 0.0001486400000000 ] - [ 0.0025705500000000, 0.0033210500000000, -0.0037255500000000 ] - [ -0.0010723500000000, 0.0031107600000000, -0.0039568400000000 ] - [ 0.0002230500000000, -0.0008065600000000, 0.0018256800000000 ] - [ -0.0005320300000000, 0.0003791100000000, -0.0002222200000000 ] - [ 0.0009019100000000, -0.0027736800000000, -0.0006280700000000 ] - [ 0.0005528500000000, -0.0017103000000000, -0.0001132700000000 ] - [ -0.0009972800000000, -0.0036836000000000, -0.0042592900000000 ] - [ 0.0001929300000000, -0.0005709700000000, -0.0004430100000000 ] - [ 0.0024238300000000, -0.0007701500000000, -0.0042048500000000 ] - [ -0.0014828000000000, -0.0010728900000000, -0.0044878900000000 ] - [ 0.0000715200000000, 0.0018512300000000, 0.0031300700000000 ] - [ -0.0004115900000000, -0.0003584100000000, 0.0007763200000000 ] - [ 0.0027383400000000, -0.0024124600000000, 0.0039517200000000 ] - [ -0.0032761300000000, -0.0012706800000000, 0.0031067500000000 ] - [ 0.0006592600000000, -0.0030486600000000, 0.0001720600000000 ] - [ 0.0006715900000000, -0.0015773300000000, -0.0001267500000000 ] - [ -0.0009414900000000, -0.0007772700000000, -0.0017353100000000 ] - [ -0.0002694100000000, -0.0004184700000000, -0.0012241800000000 ] - [ -0.0001544200000000, 0.0004744400000000, 0.0005653100000000 ] - [ -0.0002410900000000, -0.0000489800000000, 0.0002666200000000 ] - [ -0.0044381700000000, 0.0017039200000000, -0.0014631600000000 ] - [ -0.0006246900000000, 0.0032931800000000, 0.0015407000000000 ] - [ -0.0003918400000000, -0.0039056400000000, 0.0019810300000000 ] - [ -0.0002346900000000, -0.0012722500000000, 0.0001600600000000 ] - [ -0.0033957700000000, 0.0135628000000000, 0.0121407100000000 ] - [ 0.0003962000000000, 0.0010611300000000, 0.0007027700000000 ] - [ -0.0004968600000000, 0.0071447000000000, -0.0016222700000000 ] - [ -0.0007504000000000, 0.0067047000000000, 0.0000054900000000 ] - [ -0.0006788500000000, -0.0003143200000000, -0.0018392800000000 ] - [ 0.0008765000000000, -0.0008047900000000, -0.0005009800000000 ] - [ -0.0000479600000000, -0.0033025400000000, 0.0039999400000000 ] - [ -0.0015941600000000, -0.0024830400000000, 0.0025270700000000 ] - [ 0.0002475900000000, 0.0034505100000000, 0.0027393000000000 ] - [ -0.0002306700000000, 0.0009540600000000, 0.0009949500000000 ] - [ -0.0009034600000000, 0.0058227300000000, -0.0052273000000000 ] - [ 0.0010229300000000, 0.0032371600000000, -0.0029742700000000 ] - [ -0.0008322100000000, -0.0032156200000000, -0.0111879500000000 ] - [ 0.0000542800000000, -0.0010396900000000, -0.0010605600000000 ] - [ -0.0147316700000000, -0.0001056300000000, 0.0098100900000000 ] - [ 0.0145585600000000, 0.0004898200000000, 0.0113097800000000 ] - [ 0.0002880200000000, 0.0079530200000000, -0.0009448500000000 ] - [ -0.0003349700000000, 0.0020190000000000, -0.0002262500000000 ] - [ 0.0167161400000000, 0.0069207100000000, 0.0016531800000000 ] - [ -0.0102206400000000, 0.0061814600000000, -0.0034547000000000 ] - [ -0.0010043000000000, -0.0023690000000000, -0.0007116000000000 ] - [ -0.0001678300000000, -0.0011583500000000, 0.0003109400000000 ] - [ 0.0007557800000000, 0.0011907800000000, 0.0041788500000000 ] - [ -0.0015097300000000, 0.0007164200000000, 0.0026432000000000 ] - [ -0.0003492700000000, 0.0054524700000000, 0.0002883800000000 ] - [ -0.0001240300000000, 0.0013597700000000, -0.0000323600000000 ] - [ 0.0013373200000000, -0.0022738600000000, 0.0016949600000000 ] - [ -0.0010898700000000, -0.0020903400000000, 0.0017458100000000 ] - [ -0.0000738200000000, -0.0013558500000000, -0.0031255200000000 ] - [ 0.0000724700000000, -0.0007060400000000, -0.0006087300000000 ] - [ 0.0000746200000000, 0.0004037400000000, 0.0003051800000000 ] - [ 0.0001041300000000, 0.0002651100000000, 0.0001141700000000 ] - [ -0.0085349700000000, -0.0601295800000000, -0.0051896300000000 ] - [ 0.0000347000000000, -0.0043006300000000, -0.0002771600000000 ] - [ -0.0030253600000000, 0.0031453800000000, -0.0031795600000000 ] - [ 0.0027766400000000, 0.0031449800000000, -0.0035480700000000 ] - [ -0.0001644100000000, 0.0019276000000000, -0.0000218800000000 ] - [ 0.0002011500000000, 0.0010551800000000, -0.0003062400000000 ] - [ -0.0003378200000000, -0.0002042800000000, 0.0011614000000000 ] - [ 0.0004205300000000, 0.0002515900000000, 0.0004043900000000 ]- atom: 105 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0025358000000000, -0.0074894900000000, -0.0035239500000000 ] - [ -0.0002997800000000, 0.0001468100000000, 0.0003545200000000 ] - [ 0.0002282600000000, 0.0025430300000000, 0.0005257100000000 ] - [ 0.0009758700000000, 0.0030136500000000, 0.0005883600000000 ] - [ -0.0001533400000000, 0.0004246900000000, -0.0002236400000000 ] - [ 0.0000823400000000, 0.0000568800000000, -0.0000239800000000 ] - [ 0.0007253600000000, -0.0018688200000000, 0.0013642500000000 ] - [ 0.0003866300000000, -0.0014266400000000, 0.0007294300000000 ] - [ -0.0031906200000000, 0.0015630300000000, 0.0033292900000000 ] - [ 0.0000089700000000, 0.0003686700000000, 0.0001584900000000 ] - [ -0.0014815000000000, 0.0024872200000000, -0.0001350900000000 ] - [ -0.0010946500000000, 0.0015719200000000, 0.0000922400000000 ] - [ 0.0002470800000000, 0.0001255400000000, -0.0003541300000000 ] - [ 0.0009769500000000, -0.0001389600000000, -0.0003304500000000 ] - [ -0.0002436300000000, -0.0035753300000000, 0.0003912600000000 ] - [ -0.0003054800000000, -0.0010238600000000, -0.0000097000000000 ] - [ 0.0000432300000000, 0.0007893300000000, 0.0001756100000000 ] - [ -0.0005925200000000, 0.0004246700000000, -0.0003475500000000 ] - [ -0.0004769100000000, 0.0012406400000000, -0.0007887400000000 ] - [ 0.0002160100000000, 0.0005912300000000, -0.0002729000000000 ] - [ 0.0008377600000000, -0.0028521000000000, -0.0025666800000000 ] - [ 0.0003259400000000, -0.0008748700000000, 0.0002787800000000 ] - [ 0.0020186600000000, -0.0072153200000000, -0.0007028700000000 ] - [ 0.0056955600000000, -0.0004077600000000, -0.0000785700000000 ] - [ -0.0006340300000000, 0.0009559000000000, 0.0009520500000000 ] - [ -0.0003698800000000, 0.0003192600000000, 0.0003150000000000 ] - [ 0.0000503100000000, 0.0010936200000000, -0.0010436600000000 ] - [ -0.0013833400000000, 0.0010916100000000, -0.0016923100000000 ] - [ 0.0006095400000000, -0.0040087500000000, -0.0010010600000000 ] - [ 0.0005134500000000, -0.0009674800000000, -0.0004400900000000 ] - [ -0.0026309500000000, -0.0083926200000000, 0.0008801800000000 ] - [ -0.0046207700000000, -0.0004516700000000, 0.0002713400000000 ] - [ -0.0008403200000000, 0.0020882700000000, -0.0003288100000000 ] - [ -0.0007030500000000, 0.0009601600000000, -0.0003682400000000 ] - [ -0.0035466100000000, -0.0093274100000000, 0.0044479200000000 ] - [ -0.0033807400000000, -0.0003247500000000, -0.0016859500000000 ] - [ -0.0002624100000000, -0.0007238000000000, 0.0003692300000000 ] - [ 0.0000182500000000, -0.0004290400000000, 0.0003415900000000 ] - [ 0.0006720900000000, 0.0010624200000000, 0.0019740200000000 ] - [ -0.0003091100000000, 0.0004041600000000, 0.0004513000000000 ] - [ -0.0002953900000000, -0.0010670000000000, 0.0007874800000000 ] - [ -0.0005841100000000, -0.0008147100000000, 0.0008212100000000 ] - [ -0.0003475300000000, -0.0011264800000000, -0.0003794100000000 ] - [ -0.0000473400000000, -0.0007155300000000, -0.0001142700000000 ] - [ 0.0017556700000000, 0.0052387200000000, -0.0003047400000000 ] - [ -0.0009169800000000, 0.0043228900000000, -0.0007197600000000 ] - [ -0.0003199700000000, 0.0072415000000000, 0.0011122900000000 ] - [ 0.0001114800000000, 0.0014742700000000, 0.0002787400000000 ] - [ -0.0033091200000000, -0.0034210900000000, 0.0037996900000000 ] - [ 0.0003395000000000, -0.0031891200000000, 0.0040189800000000 ] - [ -0.0009795700000000, 0.0009426100000000, -0.0019397500000000 ] - [ -0.0002182200000000, -0.0002611200000000, 0.0001295500000000 ] - [ -0.0001580600000000, 0.0026518200000000, 0.0005310300000000 ] - [ 0.0002044800000000, 0.0015886000000000, 0.0000131700000000 ] - [ 0.0017482900000000, 0.0037933000000000, 0.0043492600000000 ] - [ 0.0005564600000000, 0.0006841100000000, 0.0005339400000000 ] - [ -0.0033996500000000, 0.0025204500000000, 0.0031611600000000 ] - [ 0.0004913100000000, 0.0028282100000000, 0.0034430400000000 ] - [ -0.0010583400000000, -0.0036115600000000, -0.0021004600000000 ] - [ -0.0005706700000000, -0.0013893200000000, 0.0002658400000000 ] - [ -0.0017715100000000, 0.0041489300000000, -0.0029112900000000 ] - [ 0.0042512400000000, 0.0030181900000000, -0.0020636700000000 ] - [ 0.0003284200000000, 0.0012953800000000, -0.0011993800000000 ] - [ 0.0003112300000000, -0.0001736600000000, -0.0009135100000000 ] - [ 0.0005207500000000, 0.0015383500000000, 0.0011018900000000 ] - [ -0.0001452600000000, 0.0011750500000000, 0.0005925700000000 ] - [ -0.0002625700000000, -0.0012343900000000, 0.0000655000000000 ] - [ -0.0001715200000000, -0.0007084300000000, 0.0003616700000000 ] - [ 0.0048627000000000, -0.0009699900000000, 0.0021042300000000 ] - [ 0.0011922900000000, -0.0026216300000000, -0.0009210600000000 ] - [ 0.0008048100000000, 0.0031371700000000, -0.0025873200000000 ] - [ 0.0006494100000000, 0.0005157100000000, -0.0007869200000000 ] - [ 0.0030812200000000, -0.0142421900000000, -0.0115946400000000 ] - [ -0.0007170700000000, -0.0016784400000000, -0.0000515900000000 ] - [ 0.0001555700000000, -0.0065174100000000, 0.0009741300000000 ] - [ 0.0004458900000000, -0.0060673300000000, -0.0006516100000000 ] - [ 0.0010087700000000, -0.0003263600000000, 0.0012024200000000 ] - [ -0.0005571500000000, 0.0001731100000000, -0.0001482100000000 ] - [ 0.0002669500000000, 0.0038835500000000, -0.0033958000000000 ] - [ 0.0019108400000000, 0.0031062700000000, -0.0018760600000000 ] - [ -0.0002560100000000, -0.0038764800000000, -0.0011392500000000 ] - [ 0.0002263900000000, -0.0013819100000000, 0.0006182400000000 ] - [ 0.0009060900000000, -0.0053897700000000, 0.0036372600000000 ] - [ -0.0010319800000000, -0.0027951500000000, 0.0013678400000000 ] - [ 0.0008437700000000, 0.0027444600000000, 0.0096371200000000 ] - [ -0.0000505100000000, 0.0006058700000000, -0.0005512400000000 ] - [ 0.0146590900000000, 0.0005364800000000, -0.0081561500000000 ] - [ -0.0144745400000000, -0.0000769600000000, -0.0096367700000000 ] - [ -0.0006119100000000, -0.0081041200000000, 0.0009758500000000 ] - [ -0.0000018600000000, -0.0021651300000000, 0.0002869500000000 ] - [ -0.0171356600000000, -0.0067648100000000, -0.0016947600000000 ] - [ 0.0099329100000000, -0.0059724500000000, 0.0033488700000000 ] - [ 0.0013500000000000, 0.0022214400000000, 0.0006566800000000 ] - [ 0.0004981400000000, 0.0010063300000000, -0.0003728700000000 ] - [ -0.0003969700000000, -0.0010747000000000, -0.0040890700000000 ] - [ 0.0018410400000000, -0.0005703400000000, -0.0025699600000000 ] - [ 0.0000507500000000, -0.0050579800000000, -0.0002270500000000 ] - [ -0.0001767100000000, -0.0009911700000000, 0.0000883100000000 ] - [ -0.0016347300000000, 0.0019192100000000, -0.0017500200000000 ] - [ 0.0007820100000000, 0.0017346600000000, -0.0017894700000000 ] - [ 0.0003885500000000, 0.0017448700000000, 0.0030645600000000 ] - [ 0.0002255700000000, 0.0010751700000000, 0.0005513400000000 ] - [ 0.0002267800000000, -0.0007743500000000, -0.0002506000000000 ] - [ 0.0001964600000000, -0.0006346500000000, -0.0000575600000000 ] - [ 0.0086009800000000, 0.0589223400000000, 0.0059574500000000 ] - [ -0.0002493700000000, 0.0031149700000000, 0.0009775500000000 ] - [ 0.0028020500000000, -0.0019749300000000, 0.0024564600000000 ] - [ -0.0029723300000000, -0.0019752400000000, 0.0028274900000000 ] - [ 0.0003717000000000, -0.0031067300000000, -0.0006700700000000 ] - [ 0.0000099100000000, -0.0022346700000000, -0.0003918800000000 ] - [ 0.0005480400000000, 0.0013961700000000, -0.0004649300000000 ] - [ -0.0002117000000000, 0.0009330700000000, 0.0002991100000000 ]- atom: 105 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0022815000000000, 0.0044212200000000, 0.0063858700000000 ] - [ 0.0003306400000000, -0.0001303500000000, 0.0006143200000000 ] - [ 0.0001853400000000, 0.0006971600000000, 0.0010641000000000 ] - [ 0.0000375900000000, 0.0001873400000000, 0.0012088800000000 ] - [ 0.0000933700000000, 0.0011327300000000, -0.0023101200000000 ] - [ 0.0000758600000000, 0.0002768400000000, -0.0009330400000000 ] - [ -0.0047147900000000, 0.0022940900000000, -0.0047094000000000 ] - [ 0.0007401200000000, 0.0002719500000000, -0.0012750100000000 ] - [ 0.0017203500000000, -0.0019411500000000, -0.0033863600000000 ] - [ -0.0011657700000000, -0.0004198600000000, -0.0003168400000000 ] - [ -0.0003138900000000, 0.0002689800000000, 0.0006138800000000 ] - [ -0.0006452100000000, 0.0000039500000000, 0.0006900600000000 ] - [ -0.0006276200000000, 0.0008266300000000, -0.0010354900000000 ] - [ 0.0010596000000000, 0.0001388000000000, -0.0006424600000000 ] - [ -0.0015833800000000, 0.0013483000000000, 0.0088771900000000 ] - [ 0.0013090100000000, 0.0003311900000000, -0.0002053100000000 ] - [ -0.0012167000000000, -0.0004119500000000, -0.0017674800000000 ] - [ -0.0004712200000000, -0.0001372100000000, -0.0010789500000000 ] - [ -0.0010496400000000, 0.0013378800000000, -0.0003159400000000 ] - [ -0.0001066800000000, 0.0002150800000000, 0.0000307000000000 ] - [ 0.0027302300000000, 0.0021735800000000, -0.0019844700000000 ] - [ -0.0002870700000000, 0.0001257400000000, 0.0004645800000000 ] - [ 0.0003768700000000, 0.0008035600000000, 0.0028333600000000 ] - [ -0.0013832700000000, -0.0005549200000000, 0.0013558800000000 ] - [ 0.0003091800000000, -0.0004386400000000, -0.0014933600000000 ] - [ -0.0002090100000000, -0.0001614600000000, -0.0003765600000000 ] - [ 0.0003433300000000, 0.0006902200000000, -0.0007428800000000 ] - [ -0.0011071400000000, 0.0006686700000000, -0.0012556500000000 ] - [ -0.0004549400000000, 0.0008387400000000, 0.0002405300000000 ] - [ 0.0008792700000000, 0.0001142100000000, -0.0001546100000000 ] - [ 0.0012097400000000, 0.0007252500000000, 0.0048315500000000 ] - [ 0.0021952500000000, -0.0002054800000000, 0.0018114400000000 ] - [ 0.0002531700000000, -0.0003665700000000, -0.0004979000000000 ] - [ -0.0008234400000000, 0.0003573200000000, -0.0000591700000000 ] - [ -0.0024015200000000, -0.0054462600000000, 0.0078642700000000 ] - [ -0.0000357200000000, -0.0005173700000000, 0.0023175300000000 ] - [ -0.0001084400000000, -0.0005094700000000, -0.0027498800000000 ] - [ 0.0012514400000000, 0.0001864900000000, -0.0017650500000000 ] - [ 0.0003749400000000, -0.0018865300000000, -0.0006287300000000 ] - [ 0.0004238700000000, -0.0004631900000000, -0.0004191600000000 ] - [ -0.0022267900000000, -0.0057970500000000, -0.0021693400000000 ] - [ 0.0002814700000000, -0.0010552500000000, -0.0006487800000000 ] - [ -0.0006037200000000, 0.0000459100000000, -0.0025876500000000 ] - [ 0.0000307200000000, 0.0001301700000000, -0.0010803900000000 ] - [ 0.0013394500000000, 0.0019447800000000, 0.0014545000000000 ] - [ -0.0000469700000000, -0.0004715700000000, 0.0014337400000000 ] - [ 0.0005859300000000, -0.0051005300000000, -0.0001034200000000 ] - [ -0.0000598600000000, -0.0003332900000000, 0.0005499200000000 ] - [ 0.0022359400000000, -0.0008685600000000, -0.0009077100000000 ] - [ -0.0050932800000000, -0.0037624800000000, 0.0017915000000000 ] - [ -0.0023247800000000, 0.0042172200000000, -0.0067805800000000 ] - [ -0.0006698900000000, 0.0004024400000000, -0.0009128100000000 ] - [ -0.0003633500000000, 0.0011558900000000, 0.0011149200000000 ] - [ 0.0003322300000000, 0.0004158000000000, 0.0004125400000000 ] - [ -0.0008273300000000, -0.0031021300000000, -0.0040334600000000 ] - [ 0.0002663500000000, -0.0004009600000000, -0.0004028800000000 ] - [ 0.0003510700000000, -0.0001457700000000, -0.0013269700000000 ] - [ -0.0006513700000000, -0.0006068400000000, -0.0001361900000000 ] - [ -0.0026986500000000, -0.0037012300000000, -0.0069225400000000 ] - [ -0.0007520500000000, -0.0011137300000000, -0.0004792200000000 ] - [ -0.0024056000000000, 0.0026323000000000, 0.0021095300000000 ] - [ 0.0021162600000000, 0.0014533400000000, 0.0007403300000000 ] - [ 0.0002770900000000, -0.0014330900000000, -0.0013290500000000 ] - [ 0.0004635400000000, -0.0009154100000000, -0.0006516700000000 ] - [ -0.0008224200000000, -0.0011874100000000, -0.0018309800000000 ] - [ -0.0003018200000000, -0.0000952800000000, -0.0013989800000000 ] - [ 0.0004769900000000, -0.0018356400000000, -0.0041670900000000 ] - [ 0.0001165200000000, -0.0007926400000000, -0.0013039700000000 ] - [ 0.0018416400000000, -0.0011243400000000, 0.0052075600000000 ] - [ -0.0002325000000000, 0.0000143900000000, 0.0052975500000000 ] - [ 0.0000738000000000, -0.0004623200000000, 0.0009582600000000 ] - [ 0.0003642000000000, -0.0003899400000000, 0.0003909900000000 ] - [ -0.0030626500000000, 0.0127436800000000, 0.0098385200000000 ] - [ 0.0004082100000000, 0.0004201900000000, -0.0001753900000000 ] - [ -0.0004233300000000, -0.0008294200000000, -0.0014147000000000 ] - [ 0.0005410700000000, 0.0002306700000000, -0.0025929100000000 ] - [ 0.0029660000000000, -0.0020307400000000, 0.0057003700000000 ] - [ -0.0001258200000000, -0.0003094900000000, 0.0015129300000000 ] - [ 0.0178533000000000, 0.0054033900000000, 0.0144057700000000 ] - [ -0.0023612300000000, 0.0002341300000000, 0.0031341600000000 ] - [ 0.0003317600000000, 0.0020475400000000, 0.0046788300000000 ] - [ -0.0001430500000000, 0.0002436300000000, 0.0020218000000000 ] - [ 0.0011492300000000, -0.0033076700000000, 0.0009748900000000 ] - [ -0.0009731200000000, -0.0009899500000000, -0.0002402800000000 ] - [ 0.0004236300000000, -0.0077743200000000, 0.0265154000000000 ] - [ 0.0003294900000000, -0.0003661600000000, 0.0005081700000000 ] - [ -0.0057979800000000, 0.0041603500000000, -0.0002679000000000 ] - [ 0.0048324300000000, 0.0067298000000000, -0.0032333800000000 ] - [ -0.0001451600000000, 0.0023973600000000, 0.0006796400000000 ] - [ 0.0003898000000000, 0.0001735100000000, -0.0005076600000000 ] - [ -0.0092927800000000, -0.0019067600000000, -0.0079724200000000 ] - [ 0.0025316500000000, 0.0016406100000000, -0.0085789600000000 ] - [ 0.0018599400000000, 0.0022909100000000, 0.0088104100000000 ] - [ -0.0008262300000000, 0.0000417800000000, 0.0027407100000000 ] - [ 0.0011731500000000, 0.0056974000000000, 0.0008306800000000 ] - [ -0.0004293700000000, 0.0015332300000000, 0.0015308700000000 ] - [ -0.0002483400000000, 0.0014997200000000, -0.0016774400000000 ] - [ -0.0001108500000000, 0.0005164800000000, -0.0005293500000000 ] - [ 0.0039137300000000, 0.0010447000000000, 0.0003919200000000 ] - [ -0.0032684300000000, 0.0010439400000000, 0.0004896100000000 ] - [ -0.0026257600000000, -0.0028729600000000, 0.0045811700000000 ] - [ 0.0009560600000000, -0.0003407500000000, 0.0002130600000000 ] - [ -0.0003165300000000, -0.0002330000000000, 0.0012262300000000 ] - [ 0.0005253500000000, -0.0003434300000000, 0.0006807100000000 ] - [ -0.0006277000000000, -0.0060733100000000, -0.0595634500000000 ] - [ -0.0001839700000000, -0.0012177700000000, -0.0020424900000000 ] - [ 0.0029561100000000, -0.0025930300000000, -0.0028137300000000 ] - [ -0.0029549200000000, -0.0022244800000000, -0.0028114700000000 ] - [ -0.0003335700000000, -0.0009141300000000, 0.0015953300000000 ] - [ 0.0005760900000000, -0.0006326300000000, 0.0006408400000000 ] - [ -0.0005037200000000, -0.0002292900000000, 0.0047113600000000 ] - [ 0.0004894800000000, 0.0005339300000000, 0.0026201800000000 ]- atom: 105 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0022578900000000, -0.0048672600000000, -0.0066023200000000 ] - [ -0.0002059400000000, 0.0000479100000000, -0.0005462900000000 ] - [ -0.0000649600000000, -0.0006196100000000, -0.0011434700000000 ] - [ 0.0000861900000000, -0.0001060700000000, -0.0012868300000000 ] - [ -0.0002144100000000, -0.0012207000000000, 0.0022386100000000 ] - [ -0.0001985500000000, -0.0003583800000000, 0.0008588500000000 ] - [ 0.0045715500000000, -0.0022156800000000, 0.0047655000000000 ] - [ -0.0008525800000000, -0.0001971600000000, 0.0013577500000000 ] - [ -0.0027989900000000, 0.0018465200000000, 0.0030148200000000 ] - [ 0.0000946400000000, 0.0003141000000000, -0.0000616500000000 ] - [ -0.0007614200000000, -0.0001630900000000, -0.0002350600000000 ] - [ -0.0004282700000000, 0.0001017400000000, -0.0003102200000000 ] - [ 0.0017108300000000, -0.0009396600000000, 0.0014059500000000 ] - [ 0.0000128200000000, -0.0002482000000000, 0.0010142500000000 ] - [ 0.0027929900000000, -0.0011561900000000, -0.0084285700000000 ] - [ -0.0002299700000000, -0.0002238800000000, -0.0001612900000000 ] - [ 0.0002709700000000, 0.0002877900000000, 0.0009104600000000 ] - [ -0.0004776800000000, 0.0000134900000000, 0.0002223300000000 ] - [ 0.0000916700000000, -0.0012042800000000, 0.0011818700000000 ] - [ -0.0008395500000000, -0.0000912400000000, 0.0008329800000000 ] - [ -0.0017646100000000, -0.0022520300000000, 0.0026516700000000 ] - [ 0.0012360700000000, -0.0002521800000000, 0.0003877200000000 ] - [ 0.0005457100000000, -0.0006666700000000, -0.0036941500000000 ] - [ 0.0023587600000000, 0.0006729100000000, -0.0021998800000000 ] - [ -0.0009278100000000, 0.0002956200000000, 0.0019815200000000 ] - [ -0.0004126200000000, 0.0000172300000000, 0.0008653600000000 ] - [ -0.0009580900000000, -0.0005425600000000, 0.0002632100000000 ] - [ 0.0004840100000000, -0.0005227200000000, 0.0007755200000000 ] - [ 0.0009835500000000, -0.0008780500000000, -0.0010592800000000 ] - [ -0.0002576700000000, -0.0002596700000000, -0.0003402800000000 ] - [ -0.0005380400000000, -0.0005499000000000, -0.0043191700000000 ] - [ -0.0015952200000000, 0.0003486400000000, -0.0013186900000000 ] - [ -0.0008484800000000, 0.0006247300000000, 0.0002353200000000 ] - [ 0.0002287900000000, -0.0001001700000000, -0.0002002800000000 ] - [ 0.0016361800000000, 0.0050075700000000, -0.0075514700000000 ] - [ -0.0005458600000000, 0.0002551300000000, -0.0020362100000000 ] - [ 0.0007146900000000, 0.0007692500000000, 0.0030120600000000 ] - [ -0.0006628100000000, 0.0000700700000000, 0.0020255600000000 ] - [ 0.0002211700000000, 0.0016173200000000, 0.0003838100000000 ] - [ 0.0001727200000000, 0.0002050300000000, 0.0001673100000000 ] - [ 0.0020452600000000, 0.0056353900000000, 0.0025892600000000 ] - [ -0.0004472000000000, 0.0009198500000000, 0.0010835200000000 ] - [ 0.0004435400000000, 0.0000721200000000, 0.0021580300000000 ] - [ -0.0001982000000000, -0.0000044800000000, 0.0006505900000000 ] - [ -0.0011788700000000, -0.0020904400000000, -0.0018922300000000 ] - [ 0.0002150400000000, 0.0003192300000000, -0.0018521700000000 ] - [ -0.0004172700000000, 0.0052427200000000, 0.0005303600000000 ] - [ 0.0002265300000000, 0.0004627800000000, -0.0001246600000000 ] - [ -0.0029820700000000, 0.0007350900000000, 0.0010224400000000 ] - [ 0.0042912600000000, 0.0035963200000000, -0.0016468300000000 ] - [ 0.0015887700000000, -0.0041122900000000, 0.0067058200000000 ] - [ -0.0000792700000000, -0.0002868800000000, 0.0008173500000000 ] - [ 0.0011070000000000, -0.0012681400000000, -0.0011972200000000 ] - [ 0.0004150500000000, -0.0005314700000000, -0.0004995500000000 ] - [ 0.0015755200000000, 0.0032181000000000, 0.0041161700000000 ] - [ 0.0004809900000000, 0.0005170500000000, 0.0004939700000000 ] - [ -0.0013448600000000, 0.0019025500000000, 0.0003134500000000 ] - [ -0.0003298500000000, 0.0023615800000000, -0.0008619000000000 ] - [ 0.0017315800000000, 0.0019495000000000, 0.0079827000000000 ] - [ -0.0002310700000000, -0.0006385000000000, 0.0015136800000000 ] - [ 0.0033750400000000, -0.0008868500000000, -0.0010334000000000 ] - [ -0.0011591800000000, 0.0002899700000000, 0.0003150300000000 ] - [ 0.0007021200000000, -0.0003136400000000, 0.0002837700000000 ] - [ 0.0005153300000000, -0.0008337900000000, -0.0003911500000000 ] - [ 0.0004042700000000, 0.0019354500000000, 0.0012040900000000 ] - [ -0.0001117800000000, 0.0008482700000000, 0.0007721900000000 ] - [ -0.0008896900000000, 0.0010858800000000, 0.0047926200000000 ] - [ -0.0005346000000000, 0.0000413100000000, 0.0019381200000000 ] - [ -0.0014443200000000, 0.0018689800000000, -0.0045904500000000 ] - [ 0.0006610200000000, 0.0007212500000000, -0.0046593800000000 ] - [ 0.0003416800000000, -0.0002874500000000, -0.0016044200000000 ] - [ 0.0000515500000000, -0.0003599300000000, -0.0010305700000000 ] - [ 0.0027366600000000, -0.0134507900000000, -0.0092165600000000 ] - [ -0.0007294300000000, -0.0010424600000000, 0.0008379400000000 ] - [ 0.0001105200000000, 0.0014629700000000, 0.0007580600000000 ] - [ -0.0008569700000000, 0.0003993400000000, 0.0019280100000000 ] - [ -0.0026644300000000, 0.0014283700000000, -0.0063550000000000 ] - [ 0.0004478400000000, -0.0003086000000000, -0.0021618200000000 ] - [ -0.0173621000000000, -0.0047235600000000, -0.0136065400000000 ] - [ 0.0026711300000000, 0.0003975200000000, -0.0024981300000000 ] - [ -0.0003417000000000, -0.0024847400000000, -0.0030681200000000 ] - [ 0.0001399600000000, -0.0006774100000000, -0.0004079600000000 ] - [ -0.0011403300000000, 0.0037352000000000, -0.0026120100000000 ] - [ 0.0009628100000000, 0.0014305400000000, -0.0013960200000000 ] - [ -0.0004390200000000, 0.0075023400000000, -0.0284440800000000 ] - [ -0.0003262200000000, -0.0000636500000000, -0.0021118400000000 ] - [ 0.0058560400000000, -0.0037131200000000, 0.0018049600000000 ] - [ -0.0048968400000000, -0.0062525500000000, 0.0047107200000000 ] - [ -0.0001913900000000, -0.0025568900000000, -0.0006049500000000 ] - [ -0.0007267100000000, -0.0003272500000000, 0.0005786800000000 ] - [ 0.0090218400000000, 0.0020863700000000, 0.0079175400000000 ] - [ -0.0029055500000000, -0.0014246700000000, 0.0084339900000000 ] - [ -0.0015504900000000, -0.0024401400000000, -0.0088845900000000 ] - [ 0.0011724600000000, -0.0001922300000000, -0.0028031500000000 ] - [ -0.0008206100000000, -0.0055097800000000, -0.0007975000000000 ] - [ 0.0007669600000000, -0.0013767000000000, -0.0014851100000000 ] - [ -0.0000518700000000, -0.0011488900000000, 0.0017288000000000 ] - [ -0.0001899000000000, -0.0001491600000000, 0.0005868400000000 ] - [ -0.0042381400000000, -0.0014236400000000, -0.0004384000000000 ] - [ 0.0029801600000000, -0.0014221800000000, -0.0005253800000000 ] - [ 0.0029001200000000, 0.0032097300000000, -0.0046335500000000 ] - [ -0.0006491300000000, 0.0007037400000000, -0.0002782200000000 ] - [ 0.0006205500000000, -0.0001344400000000, -0.0011687400000000 ] - [ -0.0002253100000000, -0.0000237100000000, -0.0006245900000000 ] - [ 0.0005633600000000, 0.0050674100000000, 0.0604413000000000 ] - [ -0.0000278500000000, 0.0000363100000000, 0.0027490100000000 ] - [ -0.0031715200000000, 0.0037828200000000, 0.0021361100000000 ] - [ 0.0027504000000000, 0.0034119000000000, 0.0021384500000000 ] - [ 0.0005393800000000, -0.0002670400000000, -0.0023069500000000 ] - [ -0.0003632400000000, -0.0005478800000000, -0.0013497000000000 ] - [ 0.0007204800000000, 0.0013977800000000, -0.0040084100000000 ] - [ -0.0002871200000000, 0.0006398400000000, -0.0019196600000000 ]