# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/e5e33ebe-aa39-4f75-b202-a039a550d49d/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 Ba2Ta6Te2O21 / C2/m (12) / materials id 6238](https://mdr.nims.go.jp/datasets/a466e731-2e06-4960-a32d-6ec78f5ce704) ## 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: "C2/m" number: 12 Hall_symbol: "-C 2y"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 8.370611999999999, -2.839747905000000, 0.004866420000000 ] # a - [ 8.370611999999999, 2.839747905000000, 0.004866420000000 ] # b - [ -1.139065340000000, 0.000000000000000, 9.545516390000000 ] # c points: - symbol: O # 1 coordinates: [ 0.581756640000000, 0.581756640000000, 0.778690550000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.418243360000000, 0.418243360000000, 0.221309450000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.791394160000000, 0.791394160000000, 0.655296800000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.208605840000000, 0.208605840000000, 0.344703200000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.308737510000000, 0.824384490000000, 0.279766480000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.175615510000000, 0.691262490000000, 0.720233520000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.691262490000000, 0.175615510000000, 0.720233520000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.824384490000000, 0.308737510000000, 0.279766480000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.605553510000000, 0.100520650000000, 0.446293710000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.276927220000000, 0.723072780000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.723072780000000, 0.276927220000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.358074000000000, 0.358074000000000, 0.898265340000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.641926000000000, 0.641926000000000, 0.101734660000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.977010430000000, 0.458041710000000, 0.831828750000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.541958290000000, 0.022989570000000, 0.168171250000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.022989570000000, 0.541958290000000, 0.168171250000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.458041710000000, 0.977010430000000, 0.831828750000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.100520650000000, 0.605553510000000, 0.446293710000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.394446490000000, 0.899479350000000, 0.553706290000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.899479350000000, 0.394446490000000, 0.553706290000000 ] mass: 15.999400 - symbol: Te # 22 coordinates: [ 0.725126480000000, 0.725126480000000, 0.253938400000000 ] mass: 127.600000 - symbol: Te # 23 coordinates: [ 0.274873520000000, 0.274873520000000, 0.746061600000000 ] mass: 127.600000 - symbol: Ba # 24 coordinates: [ 0.861808910000000, 0.861808910000000, 0.969131280000000 ] mass: 137.327000 - symbol: Ba # 25 coordinates: [ 0.138191090000000, 0.138191090000000, 0.030868720000000 ] mass: 137.327000 - symbol: Ta # 26 coordinates: [ 0.100081020000000, 0.100081020000000, 0.419657660000000 ] mass: 180.947880 - symbol: Ta # 27 coordinates: [ 0.899918980000000, 0.899918980000000, 0.580342340000000 ] mass: 180.947880 - symbol: Ta # 28 coordinates: [ 0.521321090000000, 0.521321090000000, 0.163634310000000 ] mass: 180.947880 - symbol: Ta # 29 coordinates: [ 0.478678910000000, 0.478678910000000, 0.836365690000000 ] mass: 180.947880 - symbol: Ta # 30 coordinates: [ 0.323359600000000, 0.323359600000000, 0.324139910000000 ] mass: 180.947880 - symbol: Ta # 31 coordinates: [ 0.676640400000000, 0.676640400000000, 0.675860090000000 ] mass: 180.947880 reciprocal_lattice: # without 2pi - [ 0.059728645291274, -0.176071967205131, 0.007127412166797 ] # a* - [ 0.059728645291274, 0.176071967205131, 0.007127412166797 ] # b* - [ -0.000060900775221, 0.000000000000000, 0.104753958736618 ] # c*unit_cell: lattice: - [ 16.741223999999999, 0.000000000000000, 0.009732840000000 ] # a - [ 0.000000000000000, 5.679495810000000, 0.000000000000000 ] # b - [ -1.139065340000000, 0.000000000000000, 9.545516390000000 ] # c points: - symbol: O # 1 coordinates: [ 0.081756640000000, 0.500000000000000, 0.778690550000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.418243360000000, 0.000000000000000, 0.221309450000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.291394160000000, 0.500000000000000, 0.655296800000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.208605840000000, 0.000000000000000, 0.344703200000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.066561000000000, 0.757823490000000, 0.279766480000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.433439000000000, 0.257823490000000, 0.720233520000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.433439000000000, 0.742176510000000, 0.720233520000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.066561000000000, 0.242176510000000, 0.279766480000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.353037080000000, 0.747483570000000, 0.446293710000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.000000000000000, 0.723072780000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.000000000000000, 0.276927220000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.358074000000000, 0.000000000000000, 0.898265340000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.141926000000000, 0.500000000000000, 0.101734660000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.217526070000000, 0.240515640000000, 0.831828750000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.282473930000000, 0.740515640000000, 0.168171250000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.282473930000000, 0.259484360000000, 0.168171250000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.217526070000000, 0.759484360000000, 0.831828750000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.353037080000000, 0.252516430000000, 0.446293710000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.146962920000000, 0.752516430000000, 0.553706290000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.146962920000000, 0.247483570000000, 0.553706290000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.581756640000000, 0.000000000000000, 0.778690550000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 23 coordinates: [ 0.918243360000000, 0.500000000000000, 0.221309450000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 24 coordinates: [ 0.791394160000000, 0.000000000000000, 0.655296800000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 25 coordinates: [ 0.708605840000000, 0.500000000000000, 0.344703200000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 26 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 27 coordinates: [ 0.566561000000000, 0.257823490000000, 0.279766480000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 28 coordinates: [ 0.933439000000000, 0.757823490000000, 0.720233520000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 29 coordinates: [ 0.933439000000000, 0.242176510000000, 0.720233520000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 30 coordinates: [ 0.566561000000000, 0.742176510000000, 0.279766480000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 31 coordinates: [ 0.853037080000000, 0.247483570000000, 0.446293710000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 32 coordinates: [ 0.500000000000000, 0.223072780000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 33 coordinates: [ 0.500000000000000, 0.776927220000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 34 coordinates: [ 0.858074000000000, 0.500000000000000, 0.898265340000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 35 coordinates: [ 0.641926000000000, 0.000000000000000, 0.101734660000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 36 coordinates: [ 0.717526070000000, 0.740515640000000, 0.831828750000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 37 coordinates: [ 0.782473930000000, 0.240515640000000, 0.168171250000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 38 coordinates: [ 0.782473930000000, 0.759484360000000, 0.168171250000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 39 coordinates: [ 0.717526070000000, 0.259484360000000, 0.831828750000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 40 coordinates: [ 0.853037080000000, 0.752516430000000, 0.446293710000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 41 coordinates: [ 0.646962920000000, 0.252516430000000, 0.553706290000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 42 coordinates: [ 0.646962920000000, 0.747483570000000, 0.553706290000000 ] mass: 15.999400 reduced_to: 21 - symbol: Te # 43 coordinates: [ 0.225126480000000, 0.500000000000000, 0.253938400000000 ] mass: 127.600000 reduced_to: 43 - symbol: Te # 44 coordinates: [ 0.274873520000000, 0.000000000000000, 0.746061600000000 ] mass: 127.600000 reduced_to: 44 - symbol: Te # 45 coordinates: [ 0.725126480000000, 0.000000000000000, 0.253938400000000 ] mass: 127.600000 reduced_to: 43 - symbol: Te # 46 coordinates: [ 0.774873520000000, 0.500000000000000, 0.746061600000000 ] mass: 127.600000 reduced_to: 44 - symbol: Ba # 47 coordinates: [ 0.361808910000000, 0.500000000000000, 0.969131280000000 ] mass: 137.327000 reduced_to: 47 - symbol: Ba # 48 coordinates: [ 0.138191090000000, 0.000000000000000, 0.030868720000000 ] mass: 137.327000 reduced_to: 48 - symbol: Ba # 49 coordinates: [ 0.861808910000000, 0.000000000000000, 0.969131280000000 ] mass: 137.327000 reduced_to: 47 - symbol: Ba # 50 coordinates: [ 0.638191090000000, 0.500000000000000, 0.030868720000000 ] mass: 137.327000 reduced_to: 48 - symbol: Ta # 51 coordinates: [ 0.100081020000000, 0.000000000000000, 0.419657660000000 ] mass: 180.947880 reduced_to: 51 - symbol: Ta # 52 coordinates: [ 0.399918980000000, 0.500000000000000, 0.580342340000000 ] mass: 180.947880 reduced_to: 52 - symbol: Ta # 53 coordinates: [ 0.021321090000000, 0.500000000000000, 0.163634310000000 ] mass: 180.947880 reduced_to: 53 - symbol: Ta # 54 coordinates: [ 0.478678910000000, 0.000000000000000, 0.836365690000000 ] mass: 180.947880 reduced_to: 54 - symbol: Ta # 55 coordinates: [ 0.323359600000000, 0.000000000000000, 0.324139910000000 ] mass: 180.947880 reduced_to: 55 - symbol: Ta # 56 coordinates: [ 0.176640400000000, 0.500000000000000, 0.675860090000000 ] mass: 180.947880 reduced_to: 56 - symbol: Ta # 57 coordinates: [ 0.600081020000000, 0.500000000000000, 0.419657660000000 ] mass: 180.947880 reduced_to: 51 - symbol: Ta # 58 coordinates: [ 0.899918980000000, 0.000000000000000, 0.580342340000000 ] mass: 180.947880 reduced_to: 52 - symbol: Ta # 59 coordinates: [ 0.521321090000000, 0.000000000000000, 0.163634310000000 ] mass: 180.947880 reduced_to: 53 - symbol: Ta # 60 coordinates: [ 0.978678910000000, 0.500000000000000, 0.836365690000000 ] mass: 180.947880 reduced_to: 54 - symbol: Ta # 61 coordinates: [ 0.823359600000000, 0.500000000000000, 0.324139910000000 ] mass: 180.947880 reduced_to: 55 - symbol: Ta # 62 coordinates: [ 0.676640400000000, 0.000000000000000, 0.675860090000000 ] mass: 180.947880 reduced_to: 56supercell: lattice: - [ 16.741223999999999, 0.000000000000000, 0.009732840000000 ] # a - [ 0.000000000000000, 11.358991619999999, 0.000000000000000 ] # b - [ -1.139065340000000, 0.000000000000000, 9.545516390000000 ] # c points: - symbol: O # 1 coordinates: [ 0.081756640000000, 0.250000000000000, 0.778690550000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.081756640000000, 0.750000000000000, 0.778690550000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.418243360000000, 0.000000000000000, 0.221309450000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.418243360000000, 0.500000000000000, 0.221309450000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 5 coordinates: [ 0.291394160000000, 0.250000000000000, 0.655296800000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.291394160000000, 0.750000000000000, 0.655296800000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 7 coordinates: [ 0.208605840000000, 0.000000000000000, 0.344703200000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.208605840000000, 0.500000000000000, 0.344703200000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 9 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 11 coordinates: [ 0.066561000000000, 0.378911745000000, 0.279766480000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.066561000000000, 0.878911745000000, 0.279766480000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 13 coordinates: [ 0.433439000000000, 0.128911745000000, 0.720233520000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.433439000000000, 0.628911745000000, 0.720233520000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.433439000000000, 0.371088255000000, 0.720233520000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.433439000000000, 0.871088255000000, 0.720233520000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 17 coordinates: [ 0.066561000000000, 0.121088255000000, 0.279766480000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.066561000000000, 0.621088255000000, 0.279766480000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 19 coordinates: [ 0.353037080000000, 0.373741785000000, 0.446293710000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.353037080000000, 0.873741785000000, 0.446293710000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 21 coordinates: [ 0.000000000000000, 0.361536390000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.000000000000000, 0.861536390000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 23 coordinates: [ 0.000000000000000, 0.138463610000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.000000000000000, 0.638463610000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 25 coordinates: [ 0.358074000000000, 0.000000000000000, 0.898265340000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.358074000000000, 0.500000000000000, 0.898265340000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.141926000000000, 0.250000000000000, 0.101734660000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.141926000000000, 0.750000000000000, 0.101734660000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 29 coordinates: [ 0.217526070000000, 0.120257820000000, 0.831828750000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.217526070000000, 0.620257820000000, 0.831828750000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 31 coordinates: [ 0.282473930000000, 0.370257820000000, 0.168171250000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.282473930000000, 0.870257820000000, 0.168171250000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 33 coordinates: [ 0.282473930000000, 0.129742180000000, 0.168171250000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.282473930000000, 0.629742180000000, 0.168171250000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.217526070000000, 0.379742180000000, 0.831828750000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.217526070000000, 0.879742180000000, 0.831828750000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 37 coordinates: [ 0.353037080000000, 0.126258215000000, 0.446293710000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.353037080000000, 0.626258215000000, 0.446293710000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.146962920000000, 0.376258215000000, 0.553706290000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.146962920000000, 0.876258215000000, 0.553706290000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 41 coordinates: [ 0.146962920000000, 0.123741785000000, 0.553706290000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.146962920000000, 0.623741785000000, 0.553706290000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.581756640000000, 0.000000000000000, 0.778690550000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 44 coordinates: [ 0.581756640000000, 0.500000000000000, 0.778690550000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 45 coordinates: [ 0.918243360000000, 0.250000000000000, 0.221309450000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 46 coordinates: [ 0.918243360000000, 0.750000000000000, 0.221309450000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 47 coordinates: [ 0.791394160000000, 0.000000000000000, 0.655296800000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 48 coordinates: [ 0.791394160000000, 0.500000000000000, 0.655296800000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 49 coordinates: [ 0.708605840000000, 0.250000000000000, 0.344703200000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 50 coordinates: [ 0.708605840000000, 0.750000000000000, 0.344703200000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 51 coordinates: [ 0.500000000000000, 0.250000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 52 coordinates: [ 0.500000000000000, 0.750000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 53 coordinates: [ 0.566561000000000, 0.128911745000000, 0.279766480000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 54 coordinates: [ 0.566561000000000, 0.628911745000000, 0.279766480000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 55 coordinates: [ 0.933439000000000, 0.378911745000000, 0.720233520000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 56 coordinates: [ 0.933439000000000, 0.878911745000000, 0.720233520000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 57 coordinates: [ 0.933439000000000, 0.121088255000000, 0.720233520000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 58 coordinates: [ 0.933439000000000, 0.621088255000000, 0.720233520000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 59 coordinates: [ 0.566561000000000, 0.371088255000000, 0.279766480000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 60 coordinates: [ 0.566561000000000, 0.871088255000000, 0.279766480000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 61 coordinates: [ 0.853037080000000, 0.123741785000000, 0.446293710000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 62 coordinates: [ 0.853037080000000, 0.623741785000000, 0.446293710000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 63 coordinates: [ 0.500000000000000, 0.111536390000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 64 coordinates: [ 0.500000000000000, 0.611536390000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 65 coordinates: [ 0.500000000000000, 0.388463610000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 66 coordinates: [ 0.500000000000000, 0.888463610000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 67 coordinates: [ 0.858074000000000, 0.250000000000000, 0.898265340000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 68 coordinates: [ 0.858074000000000, 0.750000000000000, 0.898265340000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 69 coordinates: [ 0.641926000000000, 0.000000000000000, 0.101734660000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 70 coordinates: [ 0.641926000000000, 0.500000000000000, 0.101734660000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 71 coordinates: [ 0.717526070000000, 0.370257820000000, 0.831828750000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 72 coordinates: [ 0.717526070000000, 0.870257820000000, 0.831828750000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 73 coordinates: [ 0.782473930000000, 0.120257820000000, 0.168171250000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 74 coordinates: [ 0.782473930000000, 0.620257820000000, 0.168171250000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 75 coordinates: [ 0.782473930000000, 0.379742180000000, 0.168171250000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 76 coordinates: [ 0.782473930000000, 0.879742180000000, 0.168171250000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 77 coordinates: [ 0.717526070000000, 0.129742180000000, 0.831828750000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 78 coordinates: [ 0.717526070000000, 0.629742180000000, 0.831828750000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 79 coordinates: [ 0.853037080000000, 0.376258215000000, 0.446293710000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 80 coordinates: [ 0.853037080000000, 0.876258215000000, 0.446293710000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 81 coordinates: [ 0.646962920000000, 0.126258215000000, 0.553706290000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 82 coordinates: [ 0.646962920000000, 0.626258215000000, 0.553706290000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 83 coordinates: [ 0.646962920000000, 0.373741785000000, 0.553706290000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 84 coordinates: [ 0.646962920000000, 0.873741785000000, 0.553706290000000 ] mass: 15.999400 reduced_to: 41 - symbol: Te # 85 coordinates: [ 0.225126480000000, 0.250000000000000, 0.253938400000000 ] mass: 127.600000 reduced_to: 85 - symbol: Te # 86 coordinates: [ 0.225126480000000, 0.750000000000000, 0.253938400000000 ] mass: 127.600000 reduced_to: 85 - symbol: Te # 87 coordinates: [ 0.274873520000000, 0.000000000000000, 0.746061600000000 ] mass: 127.600000 reduced_to: 87 - symbol: Te # 88 coordinates: [ 0.274873520000000, 0.500000000000000, 0.746061600000000 ] mass: 127.600000 reduced_to: 87 - symbol: Te # 89 coordinates: [ 0.725126480000000, 0.000000000000000, 0.253938400000000 ] mass: 127.600000 reduced_to: 85 - symbol: Te # 90 coordinates: [ 0.725126480000000, 0.500000000000000, 0.253938400000000 ] mass: 127.600000 reduced_to: 85 - symbol: Te # 91 coordinates: [ 0.774873520000000, 0.250000000000000, 0.746061600000000 ] mass: 127.600000 reduced_to: 87 - symbol: Te # 92 coordinates: [ 0.774873520000000, 0.750000000000000, 0.746061600000000 ] mass: 127.600000 reduced_to: 87 - symbol: Ba # 93 coordinates: [ 0.361808910000000, 0.250000000000000, 0.969131280000000 ] mass: 137.327000 reduced_to: 93 - symbol: Ba # 94 coordinates: [ 0.361808910000000, 0.750000000000000, 0.969131280000000 ] mass: 137.327000 reduced_to: 93 - symbol: Ba # 95 coordinates: [ 0.138191090000000, 0.000000000000000, 0.030868720000000 ] mass: 137.327000 reduced_to: 95 - symbol: Ba # 96 coordinates: [ 0.138191090000000, 0.500000000000000, 0.030868720000000 ] mass: 137.327000 reduced_to: 95 - symbol: Ba # 97 coordinates: [ 0.861808910000000, 0.000000000000000, 0.969131280000000 ] mass: 137.327000 reduced_to: 93 - symbol: Ba # 98 coordinates: [ 0.861808910000000, 0.500000000000000, 0.969131280000000 ] mass: 137.327000 reduced_to: 93 - symbol: Ba # 99 coordinates: [ 0.638191090000000, 0.250000000000000, 0.030868720000000 ] mass: 137.327000 reduced_to: 95 - symbol: Ba # 100 coordinates: [ 0.638191090000000, 0.750000000000000, 0.030868720000000 ] mass: 137.327000 reduced_to: 95 - symbol: Ta # 101 coordinates: [ 0.100081020000000, 0.000000000000000, 0.419657660000000 ] mass: 180.947880 reduced_to: 101 - symbol: Ta # 102 coordinates: [ 0.100081020000000, 0.500000000000000, 0.419657660000000 ] mass: 180.947880 reduced_to: 101 - symbol: Ta # 103 coordinates: [ 0.399918980000000, 0.250000000000000, 0.580342340000000 ] mass: 180.947880 reduced_to: 103 - symbol: Ta # 104 coordinates: [ 0.399918980000000, 0.750000000000000, 0.580342340000000 ] mass: 180.947880 reduced_to: 103 - symbol: Ta # 105 coordinates: [ 0.021321090000000, 0.250000000000000, 0.163634310000000 ] mass: 180.947880 reduced_to: 105 - symbol: Ta # 106 coordinates: [ 0.021321090000000, 0.750000000000000, 0.163634310000000 ] mass: 180.947880 reduced_to: 105 - symbol: Ta # 107 coordinates: [ 0.478678910000000, 0.000000000000000, 0.836365690000000 ] mass: 180.947880 reduced_to: 107 - symbol: Ta # 108 coordinates: [ 0.478678910000000, 0.500000000000000, 0.836365690000000 ] mass: 180.947880 reduced_to: 107 - symbol: Ta # 109 coordinates: [ 0.323359600000000, 0.000000000000000, 0.324139910000000 ] mass: 180.947880 reduced_to: 109 - symbol: Ta # 110 coordinates: [ 0.323359600000000, 0.500000000000000, 0.324139910000000 ] mass: 180.947880 reduced_to: 109 - symbol: Ta # 111 coordinates: [ 0.176640400000000, 0.250000000000000, 0.675860090000000 ] mass: 180.947880 reduced_to: 111 - symbol: Ta # 112 coordinates: [ 0.176640400000000, 0.750000000000000, 0.675860090000000 ] mass: 180.947880 reduced_to: 111 - symbol: Ta # 113 coordinates: [ 0.600081020000000, 0.250000000000000, 0.419657660000000 ] mass: 180.947880 reduced_to: 101 - symbol: Ta # 114 coordinates: [ 0.600081020000000, 0.750000000000000, 0.419657660000000 ] mass: 180.947880 reduced_to: 101 - symbol: Ta # 115 coordinates: [ 0.899918980000000, 0.000000000000000, 0.580342340000000 ] mass: 180.947880 reduced_to: 103 - symbol: Ta # 116 coordinates: [ 0.899918980000000, 0.500000000000000, 0.580342340000000 ] mass: 180.947880 reduced_to: 103 - symbol: Ta # 117 coordinates: [ 0.521321090000000, 0.000000000000000, 0.163634310000000 ] mass: 180.947880 reduced_to: 105 - symbol: Ta # 118 coordinates: [ 0.521321090000000, 0.500000000000000, 0.163634310000000 ] mass: 180.947880 reduced_to: 105 - symbol: Ta # 119 coordinates: [ 0.978678910000000, 0.250000000000000, 0.836365690000000 ] mass: 180.947880 reduced_to: 107 - symbol: Ta # 120 coordinates: [ 0.978678910000000, 0.750000000000000, 0.836365690000000 ] mass: 180.947880 reduced_to: 107 - symbol: Ta # 121 coordinates: [ 0.823359600000000, 0.250000000000000, 0.324139910000000 ] mass: 180.947880 reduced_to: 109 - symbol: Ta # 122 coordinates: [ 0.823359600000000, 0.750000000000000, 0.324139910000000 ] mass: 180.947880 reduced_to: 109 - symbol: Ta # 123 coordinates: [ 0.676640400000000, 0.000000000000000, 0.675860090000000 ] mass: 180.947880 reduced_to: 111 - symbol: Ta # 124 coordinates: [ 0.676640400000000, 0.500000000000000, 0.675860090000000 ] mass: 180.947880 reduced_to: 111displacements:- atom: 1 displacement: [ 0.0099999983100469, 0.0000000000000000, 0.0000058136957938 ] forces: - [ -0.3275620300000000, 0.0000000000000000, 0.1153881100000000 ] - [ -0.0076586800000000, 0.0000000000000000, 0.0024496900000000 ] - [ 0.0037026000000000, -0.0001246800000000, -0.0012056100000000 ] - [ 0.0037026000000000, 0.0001246800000000, -0.0012056100000000 ] - [ 0.0465662200000000, 0.0000000000000000, -0.0000840300000000 ] - [ 0.0008964300000000, 0.0000000000000000, -0.0006767800000000 ] - [ -0.0008792800000000, -0.0014268400000000, -0.0024682800000000 ] - [ -0.0008792800000000, 0.0014268400000000, -0.0024682800000000 ] - [ -0.0140378700000000, 0.0001915300000000, 0.0052993900000000 ] - [ -0.0140378700000000, -0.0001915300000000, 0.0052993900000000 ] - [ -0.0060334800000000, -0.0068704300000000, -0.0088993000000000 ] - [ -0.0028318000000000, -0.0032021400000000, -0.0035997400000000 ] - [ 0.0047939500000000, -0.0037805600000000, 0.0021041400000000 ] - [ 0.0020262400000000, -0.0001063300000000, 0.0001093500000000 ] - [ 0.0047939500000000, 0.0037805600000000, 0.0021041400000000 ] - [ 0.0020262400000000, 0.0001063300000000, 0.0001093500000000 ] - [ -0.0060334800000000, 0.0068704300000000, -0.0088993000000000 ] - [ -0.0028318000000000, 0.0032021400000000, -0.0035997400000000 ] - [ 0.0009565600000000, 0.0022542100000000, -0.0027330500000000 ] - [ 0.0006233500000000, -0.0009641200000000, 0.0001852500000000 ] - [ -0.0034256600000000, -0.0091768100000000, -0.0242583800000000 ] - [ -0.0018606400000000, 0.0014184000000000, -0.0021585700000000 ] - [ -0.0034256600000000, 0.0091768100000000, -0.0242583800000000 ] - [ -0.0018606400000000, -0.0014184000000000, -0.0021585700000000 ] - [ 0.0054158700000000, -0.0019437100000000, 0.0018107400000000 ] - [ 0.0054158700000000, 0.0019437100000000, 0.0018107400000000 ] - [ -0.0059253500000000, 0.0000000000000000, -0.0005342600000000 ] - [ -0.0021673000000000, 0.0000000000000000, -0.0004470400000000 ] - [ 0.0167837400000000, -0.0179137500000000, 0.0031838600000000 ] - [ -0.0020488200000000, 0.0032853300000000, 0.0008243300000000 ] - [ -0.0009284500000000, -0.0002807600000000, 0.0002540700000000 ] - [ -0.0004010400000000, -0.0008636600000000, -0.0003485300000000 ] - [ -0.0009284500000000, 0.0002807600000000, 0.0002540700000000 ] - [ -0.0004010400000000, 0.0008636600000000, -0.0003485300000000 ] - [ 0.0167837400000000, 0.0179137500000000, 0.0031838600000000 ] - [ -0.0020488200000000, -0.0032853300000000, 0.0008243300000000 ] - [ 0.0009565600000000, -0.0022542100000000, -0.0027330500000000 ] - [ 0.0006233500000000, 0.0009641200000000, 0.0001852500000000 ] - [ -0.0054911100000000, 0.0275766800000000, -0.0260981500000000 ] - [ -0.0018563100000000, -0.0003861000000000, -0.0019136000000000 ] - [ -0.0054911100000000, -0.0275766800000000, -0.0260981500000000 ] - [ -0.0018563100000000, 0.0003861000000000, -0.0019136000000000 ] - [ 0.0075847300000000, 0.0002242300000000, -0.0022438500000000 ] - [ 0.0075847300000000, -0.0002242300000000, -0.0022438500000000 ] - [ 0.0014681800000000, 0.0000000000000000, -0.0033563400000000 ] - [ -0.0032646700000000, 0.0000000000000000, 0.0008015500000000 ] - [ 0.0060232000000000, 0.0026595400000000, 0.0014592100000000 ] - [ 0.0060232000000000, -0.0026595400000000, 0.0014592100000000 ] - [ 0.0046189100000000, 0.0000000000000000, -0.0009399400000000 ] - [ 0.0023537000000000, 0.0000000000000000, -0.0006717700000000 ] - [ 0.0107452500000000, 0.0000000000000000, -0.0042384500000000 ] - [ 0.0052389900000000, 0.0000000000000000, -0.0019086900000000 ] - [ 0.0017989000000000, 0.0008959800000000, 0.0011665200000000 ] - [ 0.0015949000000000, 0.0010412800000000, 0.0013889000000000 ] - [ 0.0176655400000000, -0.0303729800000000, 0.0218210600000000 ] - [ -0.0014649900000000, 0.0041958500000000, -0.0017069900000000 ] - [ 0.0176655400000000, 0.0303729800000000, 0.0218210600000000 ] - [ -0.0014649900000000, -0.0041958500000000, -0.0017069900000000 ] - [ 0.0017989000000000, -0.0008959800000000, 0.0011665200000000 ] - [ 0.0015949000000000, -0.0010412800000000, 0.0013889000000000 ] - [ 0.0007708400000000, -0.0002574300000000, 0.0024758100000000 ] - [ 0.0007790900000000, -0.0031985200000000, 0.0032459200000000 ] - [ 0.0022527600000000, 0.0000581900000000, 0.0016284500000000 ] - [ 0.0019697900000000, 0.0006081500000000, 0.0017810500000000 ] - [ 0.0022527600000000, -0.0000581900000000, 0.0016284500000000 ] - [ 0.0019697900000000, -0.0006081500000000, 0.0017810500000000 ] - [ 0.0329549300000000, 0.0000000000000000, 0.0019487300000000 ] - [ -0.0005468300000000, 0.0000000000000000, -0.0000919000000000 ] - [ 0.0027930900000000, 0.0001954500000000, 0.0008496300000000 ] - [ 0.0027930900000000, -0.0001954500000000, 0.0008496300000000 ] - [ 0.0048155400000000, -0.0043933100000000, 0.0008555400000000 ] - [ 0.0014120700000000, 0.0000788600000000, -0.0000794800000000 ] - [ 0.0016427400000000, 0.0007237000000000, -0.0004704600000000 ] - [ 0.0008340400000000, -0.0004364100000000, -0.0001518800000000 ] - [ 0.0016427400000000, -0.0007237000000000, -0.0004704600000000 ] - [ 0.0008340400000000, 0.0004364100000000, -0.0001518800000000 ] - [ 0.0048155400000000, 0.0043933100000000, 0.0008555400000000 ] - [ 0.0014120700000000, -0.0000788600000000, -0.0000794800000000 ] - [ 0.0007708400000000, 0.0002574300000000, 0.0024758100000000 ] - [ 0.0007790900000000, 0.0031985200000000, 0.0032459200000000 ] - [ 0.0025850100000000, -0.0008220400000000, 0.0019431700000000 ] - [ 0.0020877000000000, -0.0020523300000000, 0.0017571400000000 ] - [ 0.0025850100000000, 0.0008220400000000, 0.0019431700000000 ] - [ 0.0020877000000000, 0.0020523300000000, 0.0017571400000000 ] - [ 0.0036068500000000, 0.0000000000000000, 0.0031175500000000 ] - [ 0.0023443700000000, 0.0000000000000000, 0.0004717300000000 ] - [ -0.0047670000000000, 0.0113778900000000, 0.0002416500000000 ] - [ -0.0047670000000000, -0.0113778900000000, 0.0002416500000000 ] - [ -0.0026444700000000, -0.0009134600000000, -0.0009967500000000 ] - [ -0.0026444700000000, 0.0009134600000000, -0.0009967500000000 ] - [ -0.0146317200000000, 0.0000000000000000, -0.0093265200000000 ] - [ -0.0016369800000000, 0.0000000000000000, 0.0005185800000000 ] - [ -0.0039331800000000, 0.0000000000000000, -0.0040658500000000 ] - [ -0.0016481100000000, 0.0000000000000000, -0.0011721900000000 ] - [ 0.0072850100000000, -0.0005336000000000, -0.0016167700000000 ] - [ 0.0072850100000000, 0.0005336000000000, -0.0016167700000000 ] - [ -0.0023205500000000, -0.0050451400000000, 0.0018255900000000 ] - [ -0.0023205500000000, 0.0050451400000000, 0.0018255900000000 ] - [ -0.0037655700000000, 0.0000000000000000, 0.0010880300000000 ] - [ -0.0021440100000000, 0.0000000000000000, 0.0002286200000000 ] - [ 0.0186254200000000, 0.0116081900000000, 0.0177265000000000 ] - [ 0.0186254200000000, -0.0116081900000000, 0.0177265000000000 ] - [ -0.0230231300000000, 0.0000000000000000, 0.0086152500000000 ] - [ -0.0059910700000000, 0.0000000000000000, 0.0014190400000000 ] - [ 0.0134169400000000, 0.0000000000000000, 0.0274298200000000 ] - [ 0.0059191600000000, 0.0000000000000000, 0.0044211100000000 ] - [ -0.0100311700000000, 0.0023526300000000, -0.0018308700000000 ] - [ -0.0100311700000000, -0.0023526300000000, -0.0018308700000000 ] - [ -0.0024710000000000, 0.0023796900000000, 0.0020603300000000 ] - [ -0.0024710000000000, -0.0023796900000000, 0.0020603300000000 ] - [ 0.0451565900000000, 0.0000000000000000, -0.0312831700000000 ] - [ 0.0067727200000000, 0.0000000000000000, 0.0016571800000000 ] - [ -0.0104649500000000, 0.0000000000000000, -0.0008771300000000 ] - [ -0.0067502700000000, 0.0000000000000000, -0.0017288800000000 ] - [ 0.0018176300000000, -0.0182329100000000, -0.0186571000000000 ] - [ 0.0018176300000000, 0.0182329100000000, -0.0186571000000000 ] - [ -0.0067784500000000, 0.0000998900000000, -0.0025006000000000 ] - [ -0.0067784500000000, -0.0000998900000000, -0.0025006000000000 ] - [ 0.1591042100000000, 0.0000000000000000, -0.0483325600000000 ] - [ 0.0085825400000000, 0.0000000000000000, 0.0031151600000000 ] - [ -0.0054489800000000, 0.0000000000000000, -0.0013696700000000 ] - [ -0.0003392000000000, 0.0000000000000000, -0.0028672500000000 ] - [ -0.0097901500000000, -0.0032321700000000, -0.0014085400000000 ] - [ -0.0097901500000000, 0.0032321700000000, -0.0014085400000000 ]- atom: 1 displacement: [ -0.0099999983100469, 0.0000000000000000, -0.0000058136957938 ] forces: - [ 0.3338440200000000, 0.0000000000000000, -0.1161162500000000 ] - [ 0.0074544500000000, 0.0000000000000000, -0.0022524000000000 ] - [ -0.0035073200000000, 0.0001255500000000, 0.0010129700000000 ] - [ -0.0035073200000000, -0.0001255500000000, 0.0010129700000000 ] - [ -0.0453121500000000, 0.0000000000000000, 0.0008108000000000 ] - [ -0.0001493800000000, 0.0000000000000000, 0.0013733400000000 ] - [ 0.0001335500000000, 0.0014219800000000, 0.0017564000000000 ] - [ 0.0001335500000000, -0.0014219800000000, 0.0017564000000000 ] - [ 0.0140129400000000, -0.0001831200000000, -0.0052822600000000 ] - [ 0.0140129400000000, 0.0001831200000000, -0.0052822600000000 ] - [ 0.0056438900000000, 0.0064076700000000, 0.0088896800000000 ] - [ 0.0024399700000000, 0.0027510600000000, 0.0035940500000000 ] - [ -0.0043907400000000, 0.0033269200000000, -0.0021085300000000 ] - [ -0.0016442300000000, -0.0003194200000000, -0.0001318700000000 ] - [ -0.0043907400000000, -0.0033269200000000, -0.0021085300000000 ] - [ -0.0016442300000000, 0.0003194200000000, -0.0001318700000000 ] - [ 0.0056438900000000, -0.0064076700000000, 0.0088896800000000 ] - [ 0.0024399700000000, -0.0027510600000000, 0.0035940500000000 ] - [ -0.0011025400000000, -0.0025639800000000, 0.0031574700000000 ] - [ -0.0007685600000000, 0.0006350200000000, 0.0002638700000000 ] - [ 0.0036218900000000, 0.0098651700000000, 0.0242929200000000 ] - [ 0.0018660200000000, -0.0008180200000000, 0.0021500100000000 ] - [ 0.0036218900000000, -0.0098651700000000, 0.0242929200000000 ] - [ 0.0018660200000000, 0.0008180200000000, 0.0021500100000000 ] - [ -0.0055242200000000, 0.0019386200000000, -0.0021767100000000 ] - [ -0.0055242200000000, -0.0019386200000000, -0.0021767100000000 ] - [ 0.0060130100000000, 0.0000000000000000, 0.0008206600000000 ] - [ 0.0022802100000000, 0.0000000000000000, 0.0008087600000000 ] - [ -0.0164649100000000, 0.0172881300000000, -0.0031746800000000 ] - [ 0.0022710900000000, -0.0037384100000000, -0.0008863800000000 ] - [ 0.0006740400000000, -0.0001918900000000, -0.0001897200000000 ] - [ 0.0001577800000000, 0.0004005100000000, 0.0004129600000000 ] - [ 0.0006740400000000, 0.0001918900000000, -0.0001897200000000 ] - [ 0.0001577800000000, -0.0004005100000000, 0.0004129600000000 ] - [ -0.0164649100000000, -0.0172881300000000, -0.0031746800000000 ] - [ 0.0022710900000000, 0.0037384100000000, -0.0008863800000000 ] - [ -0.0011025400000000, 0.0025639800000000, 0.0031574700000000 ] - [ -0.0007685600000000, -0.0006350200000000, 0.0002638700000000 ] - [ 0.0054116100000000, -0.0269548100000000, 0.0254402800000000 ] - [ 0.0019982300000000, 0.0007093400000000, 0.0014646200000000 ] - [ 0.0054116100000000, 0.0269548100000000, 0.0254402800000000 ] - [ 0.0019982300000000, -0.0007093400000000, 0.0014646200000000 ] - [ -0.0077690200000000, -0.0002272600000000, 0.0024323900000000 ] - [ -0.0077690200000000, 0.0002272600000000, 0.0024323900000000 ] - [ -0.0012491500000000, 0.0000000000000000, 0.0031495400000000 ] - [ 0.0034630900000000, 0.0000000000000000, -0.0009951200000000 ] - [ -0.0052597900000000, -0.0026600400000000, -0.0007632900000000 ] - [ -0.0052597900000000, 0.0026600400000000, -0.0007632900000000 ] - [ -0.0053522900000000, 0.0000000000000000, 0.0002421400000000 ] - [ -0.0031017900000000, 0.0000000000000000, -0.0000242800000000 ] - [ -0.0107020700000000, 0.0000000000000000, 0.0042221300000000 ] - [ -0.0052363700000000, 0.0000000000000000, 0.0019078800000000 ] - [ -0.0021783800000000, -0.0013276700000000, -0.0011481900000000 ] - [ -0.0019744600000000, -0.0014700900000000, -0.0013677600000000 ] - [ -0.0172510000000000, 0.0301411500000000, -0.0220076200000000 ] - [ 0.0018557100000000, -0.0046230600000000, 0.0016925800000000 ] - [ -0.0172510000000000, -0.0301411500000000, -0.0220076200000000 ] - [ 0.0018557100000000, 0.0046230600000000, 0.0016925800000000 ] - [ -0.0021783800000000, 0.0013276700000000, -0.0011481900000000 ] - [ -0.0019744600000000, 0.0014700900000000, -0.0013677600000000 ] - [ -0.0009061700000000, -0.0000681500000000, -0.0020197200000000 ] - [ -0.0009200500000000, 0.0028734200000000, -0.0027992600000000 ] - [ -0.0022514300000000, 0.0005319700000000, -0.0016239900000000 ] - [ -0.0019669600000000, -0.0000158400000000, -0.0017756300000000 ] - [ -0.0022514300000000, -0.0005319700000000, -0.0016239900000000 ] - [ -0.0019669600000000, 0.0000158400000000, -0.0017756300000000 ] - [ -0.0334377300000000, 0.0000000000000000, -0.0022674200000000 ] - [ 0.0004383800000000, 0.0000000000000000, -0.0002771200000000 ] - [ -0.0026731600000000, -0.0001960000000000, -0.0004786700000000 ] - [ -0.0026731600000000, 0.0001960000000000, -0.0004786700000000 ] - [ -0.0045888200000000, 0.0039518300000000, -0.0009287100000000 ] - [ -0.0011673500000000, -0.0005418800000000, 0.0000103400000000 ] - [ -0.0018751700000000, -0.0011817100000000, 0.0005425500000000 ] - [ -0.0010707200000000, -0.0000253100000000, 0.0002219400000000 ] - [ -0.0018751700000000, 0.0011817100000000, 0.0005425500000000 ] - [ -0.0010707200000000, 0.0000253100000000, 0.0002219400000000 ] - [ -0.0045888200000000, -0.0039518300000000, -0.0009287100000000 ] - [ -0.0011673500000000, 0.0005418800000000, 0.0000103400000000 ] - [ -0.0009061700000000, 0.0000681500000000, -0.0020197200000000 ] - [ -0.0009200500000000, -0.0028734200000000, -0.0027992600000000 ] - [ -0.0024371600000000, 0.0011491400000000, -0.0023946400000000 ] - [ -0.0019414400000000, 0.0023853800000000, -0.0022103600000000 ] - [ -0.0024371600000000, -0.0011491400000000, -0.0023946400000000 ] - [ -0.0019414400000000, -0.0023853800000000, -0.0022103600000000 ] - [ -0.0025043100000000, 0.0000000000000000, -0.0037965500000000 ] - [ -0.0012819300000000, 0.0000000000000000, -0.0011858600000000 ] - [ 0.0037472300000000, -0.0113719700000000, 0.0004583400000000 ] - [ 0.0037472300000000, 0.0113719700000000, 0.0004583400000000 ] - [ 0.0036928100000000, 0.0009109600000000, 0.0002731900000000 ] - [ 0.0036928100000000, -0.0009109600000000, 0.0002731900000000 ] - [ 0.0135879900000000, 0.0000000000000000, 0.0100826000000000 ] - [ 0.0005725000000000, 0.0000000000000000, 0.0002020100000000 ] - [ 0.0034205100000000, 0.0000000000000000, 0.0036557600000000 ] - [ 0.0011289100000000, 0.0000000000000000, 0.0007816800000000 ] - [ -0.0067247200000000, 0.0004405500000000, 0.0020877300000000 ] - [ -0.0067247200000000, -0.0004405500000000, 0.0020877300000000 ] - [ 0.0017804000000000, 0.0050461200000000, -0.0022154800000000 ] - [ 0.0017804000000000, -0.0050461200000000, -0.0022154800000000 ] - [ 0.0042896400000000, 0.0000000000000000, -0.0007032500000000 ] - [ 0.0026638100000000, 0.0000000000000000, 0.0001601600000000 ] - [ -0.0178302300000000, -0.0115402100000000, -0.0169587500000000 ] - [ -0.0178302300000000, 0.0115402100000000, -0.0169587500000000 ] - [ 0.0221855500000000, 0.0000000000000000, -0.0092456500000000 ] - [ 0.0052840000000000, 0.0000000000000000, -0.0020947300000000 ] - [ -0.0144019600000000, 0.0000000000000000, -0.0276668400000000 ] - [ -0.0068709000000000, 0.0000000000000000, -0.0047090700000000 ] - [ 0.0109752300000000, -0.0023347000000000, 0.0021351100000000 ] - [ 0.0109752300000000, 0.0023347000000000, 0.0021351100000000 ] - [ 0.0022705100000000, -0.0023774000000000, -0.0031246700000000 ] - [ 0.0022705100000000, 0.0023774000000000, -0.0031246700000000 ] - [ -0.0397415800000000, 0.0000000000000000, 0.0290250100000000 ] - [ -0.0065435600000000, 0.0000000000000000, -0.0005775600000000 ] - [ 0.0111503500000000, 0.0000000000000000, 0.0015691500000000 ] - [ 0.0074554700000000, 0.0000000000000000, 0.0024117700000000 ] - [ -0.0025649000000000, 0.0182155300000000, 0.0179686500000000 ] - [ -0.0025649000000000, -0.0182155300000000, 0.0179686500000000 ] - [ 0.0058177800000000, -0.0000980500000000, 0.0021805600000000 ] - [ 0.0058177800000000, 0.0000980500000000, 0.0021805600000000 ] - [ -0.1702495800000000, 0.0000000000000000, 0.0530825400000000 ] - [ -0.0076307600000000, 0.0000000000000000, -0.0027980300000000 ] - [ 0.0052035500000000, 0.0000000000000000, 0.0002738600000000 ] - [ 0.0001260700000000, 0.0000000000000000, 0.0017791500000000 ] - [ 0.0099847400000000, 0.0032429600000000, 0.0025038700000000 ] - [ 0.0099847400000000, -0.0032429600000000, 0.0025038700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003750600000000, -0.0372575500000000, 0.0000483200000000 ] - [ -0.0001009200000000, 0.0005800700000000, 0.0000940700000000 ] - [ -0.0000244600000000, -0.0000063100000000, -0.0000872500000000 ] - [ 0.0002264100000000, -0.0000072100000000, -0.0001000200000000 ] - [ 0.0002641800000000, 0.0016734100000000, 0.0003445200000000 ] - [ 0.0003802900000000, 0.0008848200000000, 0.0003488200000000 ] - [ -0.0011084300000000, 0.0002265500000000, -0.0000426200000000 ] - [ 0.0003669400000000, 0.0002286400000000, -0.0006592700000000 ] - [ -0.0002977100000000, 0.0003061100000000, 0.0007440500000000 ] - [ 0.0002854600000000, 0.0002994500000000, -0.0007343300000000 ] - [ -0.0005154600000000, -0.0014559200000000, -0.0007476000000000 ] - [ 0.0000172500000000, 0.0006695000000000, 0.0005849900000000 ] - [ -0.0002264400000000, -0.0004672000000000, 0.0001795500000000 ] - [ 0.0003148700000000, 0.0002665100000000, -0.0003227700000000 ] - [ 0.0006030000000000, -0.0000539500000000, -0.0002082000000000 ] - [ 0.0000745200000000, 0.0006966800000000, 0.0003032700000000 ] - [ 0.0001270800000000, -0.0010291600000000, 0.0007670000000000 ] - [ -0.0004049600000000, 0.0010996600000000, -0.0005656900000000 ] - [ 0.0000260800000000, -0.0005749000000000, 0.0004742200000000 ] - [ -0.0002028400000000, 0.0001621400000000, 0.0000943500000000 ] - [ -0.0054172900000000, -0.0016466100000000, 0.0062249600000000 ] - [ 0.0001575600000000, 0.0011552300000000, -0.0000886000000000 ] - [ 0.0053598300000000, -0.0022037800000000, -0.0062046100000000 ] - [ -0.0001627400000000, 0.0005711000000000, 0.0000883000000000 ] - [ -0.0018233900000000, 0.0008230600000000, -0.0007929900000000 ] - [ 0.0017294000000000, 0.0008305900000000, 0.0004339000000000 ] - [ 0.0000560000000000, -0.0009724600000000, 0.0001838700000000 ] - [ 0.0000566200000000, 0.0005867800000000, 0.0001839100000000 ] - [ -0.0106458300000000, 0.0043022700000000, 0.0000667300000000 ] - [ -0.0000200900000000, 0.0011419100000000, -0.0001450500000000 ] - [ -0.0001253500000000, -0.0005977800000000, 0.0002621200000000 ] - [ -0.0001692000000000, 0.0001378600000000, -0.0001015800000000 ] - [ -0.0001060500000000, -0.0001414700000000, -0.0001930400000000 ] - [ -0.0000624500000000, 0.0005940100000000, 0.0001695900000000 ] - [ 0.0110188100000000, 0.0047750900000000, -0.0001245200000000 ] - [ 0.0002586400000000, 0.0015956600000000, 0.0000757500000000 ] - [ -0.0001641800000000, -0.0002334900000000, -0.0000106200000000 ] - [ 0.0000644900000000, 0.0004909500000000, 0.0003576800000000 ] - [ 0.0049954300000000, -0.0003252400000000, -0.0052193100000000 ] - [ -0.0001293500000000, 0.0013549900000000, -0.0005687300000000 ] - [ -0.0048089800000000, -0.0006497200000000, 0.0046982000000000 ] - [ 0.0002705900000000, 0.0010269100000000, 0.0001159900000000 ] - [ -0.0003199200000000, 0.0001203200000000, 0.0001020700000000 ] - [ 0.0001321500000000, 0.0001191300000000, 0.0000820200000000 ] - [ 0.0000908500000000, -0.0007161400000000, -0.0000915100000000 ] - [ 0.0000934000000000, 0.0001873300000000, -0.0000918500000000 ] - [ 0.0018376600000000, 0.0005481800000000, 0.0003873700000000 ] - [ -0.0010969600000000, 0.0005466300000000, 0.0003175100000000 ] - [ -0.0003789700000000, -0.0001654800000000, -0.0003495900000000 ] - [ -0.0003766200000000, 0.0001593900000000, -0.0003502700000000 ] - [ -0.0000093000000000, -0.0000393400000000, 0.0000043800000000 ] - [ 0.0000031900000000, 0.0001319900000000, -0.0000010200000000 ] - [ -0.0002538100000000, -0.0003928900000000, -0.0001109000000000 ] - [ -0.0001271500000000, -0.0000318500000000, 0.0001417200000000 ] - [ -0.0091882700000000, 0.0019718100000000, -0.0022165900000000 ] - [ 0.0001418800000000, 0.0010490500000000, -0.0005272600000000 ] - [ 0.0095005900000000, 0.0024288800000000, 0.0021912100000000 ] - [ 0.0002367500000000, 0.0014713800000000, 0.0005025200000000 ] - [ -0.0001288300000000, 0.0000298600000000, 0.0001364300000000 ] - [ -0.0002561900000000, 0.0003948300000000, -0.0001193100000000 ] - [ 0.0003325900000000, -0.0010152200000000, 0.0011847600000000 ] - [ -0.0004253100000000, 0.0007339500000000, -0.0004865300000000 ] - [ -0.0000978500000000, 0.0001526800000000, -0.0001768900000000 ] - [ 0.0002085900000000, 0.0004298900000000, 0.0002321100000000 ] - [ 0.0001009200000000, -0.0004345400000000, 0.0001765100000000 ] - [ -0.0002051600000000, -0.0001558100000000, -0.0002316800000000 ] - [ 0.0000327200000000, 0.0006004000000000, -0.0001742100000000 ] - [ -0.0000596200000000, 0.0003404200000000, -0.0001830700000000 ] - [ 0.0000482700000000, 0.0000011700000000, 0.0001816900000000 ] - [ 0.0000671500000000, 0.0000002200000000, 0.0001821200000000 ] - [ 0.0000628500000000, -0.0005346600000000, -0.0001695000000000 ] - [ 0.0001116700000000, 0.0000444300000000, -0.0000393900000000 ] - [ -0.0000307600000000, -0.0003524400000000, -0.0000183200000000 ] - [ -0.0001714900000000, -0.0000709000000000, 0.0001133400000000 ] - [ -0.0002040400000000, 0.0001029100000000, 0.0000807600000000 ] - [ -0.0000640100000000, 0.0003874900000000, -0.0000480900000000 ] - [ 0.0001887700000000, -0.0000595400000000, 0.0001121000000000 ] - [ 0.0001226000000000, 0.0004989400000000, -0.0000271000000000 ] - [ -0.0004764100000000, -0.0006897500000000, -0.0007358900000000 ] - [ 0.0002834200000000, 0.0010630300000000, 0.0009367600000000 ] - [ 0.0001744000000000, -0.0001099400000000, -0.0000185400000000 ] - [ -0.0001101600000000, 0.0004967500000000, -0.0004535100000000 ] - [ -0.0000314200000000, -0.0004414100000000, -0.0004289900000000 ] - [ 0.0002528800000000, 0.0001738800000000, 0.0000070400000000 ] - [ 0.0005223400000000, 0.0007917300000000, -0.0003616500000000 ] - [ 0.0005234000000000, -0.0007798800000000, -0.0003616100000000 ] - [ 0.0010281000000000, -0.0033127700000000, -0.0008426900000000 ] - [ -0.0020937200000000, -0.0033173300000000, 0.0015735600000000 ] - [ 0.0004156200000000, -0.0000310200000000, -0.0004198600000000 ] - [ 0.0006349000000000, -0.0000284000000000, -0.0002996700000000 ] - [ -0.0005474300000000, 0.0015664500000000, 0.0003219400000000 ] - [ -0.0005226400000000, -0.0006720600000000, 0.0003601800000000 ] - [ -0.0002631900000000, 0.0013803200000000, -0.0001955700000000 ] - [ -0.0002606300000000, -0.0008458300000000, -0.0001985200000000 ] - [ 0.0011875500000000, -0.0024342900000000, 0.0031759800000000 ] - [ -0.0006786600000000, -0.0024543300000000, -0.0028091700000000 ] - [ -0.0010277200000000, -0.0004976200000000, 0.0001308300000000 ] - [ 0.0005192100000000, -0.0004825600000000, -0.0005218400000000 ] - [ 0.0002540800000000, 0.0001941800000000, 0.0002010800000000 ] - [ 0.0002570300000000, -0.0001976200000000, 0.0001982800000000 ] - [ 0.0004254700000000, -0.0019200800000000, -0.0022162300000000 ] - [ 0.0002851500000000, -0.0019330000000000, 0.0029124500000000 ] - [ -0.0003199100000000, 0.0013428200000000, -0.0003588800000000 ] - [ -0.0003544200000000, -0.0011411000000000, -0.0003402000000000 ] - [ -0.0004744400000000, 0.0066381600000000, -0.0001481700000000 ] - [ -0.0004759900000000, -0.0016636300000000, -0.0001518300000000 ] - [ 0.0016715800000000, -0.0001967600000000, 0.0000322100000000 ] - [ -0.0007236800000000, -0.0001868300000000, 0.0002807500000000 ] - [ 0.0005197600000000, 0.0000360200000000, -0.0005449000000000 ] - [ -0.0007281200000000, 0.0000441700000000, -0.0005427600000000 ] - [ -0.0002926900000000, 0.0157298300000000, 0.0008376300000000 ] - [ 0.0000946000000000, -0.0032469000000000, 0.0005412100000000 ] - [ 0.0003490600000000, 0.0005276300000000, 0.0003342700000000 ] - [ 0.0003447900000000, -0.0006146600000000, 0.0003386900000000 ] - [ -0.0022669600000000, -0.0035156500000000, -0.0038809900000000 ] - [ 0.0015837400000000, -0.0035078200000000, 0.0032001800000000 ] - [ -0.0002602400000000, 0.0000448800000000, 0.0001719400000000 ] - [ -0.0007116300000000, 0.0000483600000000, -0.0004783300000000 ] - [ 0.0011126200000000, 0.0189789200000000, -0.0000337500000000 ] - [ 0.0004906300000000, -0.0023611500000000, 0.0001542100000000 ] - [ -0.0000901300000000, 0.0015200000000000, -0.0005384400000000 ] - [ -0.0000921300000000, -0.0011547900000000, -0.0005388400000000 ] - [ -0.0006795200000000, -0.0000984500000000, 0.0005258800000000 ] - [ 0.0008709200000000, -0.0000811300000000, 0.0005429000000000 ]- atom: 1 displacement: [ -0.0011848924261905, 0.0000000000000000, 0.0099295533604667 ] forces: - [ 0.1535655000000000, 0.0000000000000000, -0.1031652600000000 ] - [ 0.0031219000000000, 0.0000000000000000, -0.0010940700000000 ] - [ -0.0014241700000000, 0.0000211900000000, 0.0005092800000000 ] - [ -0.0014241700000000, -0.0000211900000000, 0.0005092800000000 ] - [ -0.0352842900000000, 0.0000000000000000, 0.0024389600000000 ] - [ 0.0000508700000000, 0.0000000000000000, 0.0006111900000000 ] - [ -0.0009379800000000, 0.0008838500000000, 0.0015957200000000 ] - [ -0.0009379800000000, -0.0008838500000000, 0.0015957200000000 ] - [ 0.0064657000000000, 0.0005060600000000, -0.0018517200000000 ] - [ 0.0064657000000000, -0.0005060600000000, -0.0018517200000000 ] - [ 0.0029262400000000, 0.0049048200000000, 0.0067204200000000 ] - [ 0.0010582800000000, 0.0016873900000000, 0.0025329700000000 ] - [ -0.0024478500000000, 0.0022806300000000, -0.0016013400000000 ] - [ -0.0004168300000000, -0.0003390500000000, -0.0000460900000000 ] - [ -0.0024478500000000, -0.0022806300000000, -0.0016013400000000 ] - [ -0.0004168300000000, 0.0003390500000000, -0.0000460900000000 ] - [ 0.0029262400000000, -0.0049048200000000, 0.0067204200000000 ] - [ 0.0010582800000000, -0.0016873900000000, 0.0025329700000000 ] - [ -0.0003638800000000, -0.0017890400000000, 0.0023885400000000 ] - [ -0.0003348500000000, 0.0002049900000000, 0.0002338700000000 ] - [ -0.0057318600000000, 0.0061951100000000, 0.0167143100000000 ] - [ 0.0006517000000000, -0.0006723700000000, 0.0009209100000000 ] - [ -0.0057318600000000, -0.0061951100000000, 0.0167143100000000 ] - [ 0.0006517000000000, 0.0006723700000000, 0.0009209100000000 ] - [ -0.0013907000000000, 0.0004936500000000, -0.0009543200000000 ] - [ -0.0013907000000000, -0.0004936500000000, -0.0009543200000000 ] - [ 0.0040067400000000, 0.0000000000000000, 0.0055004500000000 ] - [ 0.0009437600000000, 0.0000000000000000, 0.0007832600000000 ] - [ -0.0004661500000000, 0.0030667500000000, -0.0049553200000000 ] - [ 0.0010203100000000, -0.0012661200000000, -0.0007271400000000 ] - [ 0.0008047100000000, 0.0003810700000000, 0.0003530500000000 ] - [ 0.0000403500000000, 0.0000898000000000, 0.0005242200000000 ] - [ 0.0008047100000000, -0.0003810700000000, 0.0003530500000000 ] - [ 0.0000403500000000, -0.0000898000000000, 0.0005242200000000 ] - [ -0.0004661500000000, -0.0030667500000000, -0.0049553200000000 ] - [ 0.0010203100000000, 0.0012661200000000, -0.0007271400000000 ] - [ -0.0003638800000000, 0.0017890400000000, 0.0023885400000000 ] - [ -0.0003348500000000, -0.0002049900000000, 0.0002338700000000 ] - [ -0.0026168200000000, -0.0182005400000000, 0.0174687000000000 ] - [ 0.0006746700000000, 0.0011527200000000, 0.0001760800000000 ] - [ -0.0026168200000000, 0.0182005400000000, 0.0174687000000000 ] - [ 0.0006746700000000, -0.0011527200000000, 0.0001760800000000 ] - [ -0.0033151100000000, -0.0000358800000000, 0.0009620900000000 ] - [ -0.0033151100000000, 0.0000358800000000, 0.0009620900000000 ] - [ -0.0033104000000000, 0.0000000000000000, 0.0036032100000000 ] - [ 0.0013787000000000, 0.0000000000000000, -0.0002933100000000 ] - [ -0.0012347300000000, -0.0008906200000000, -0.0001483600000000 ] - [ -0.0012347300000000, 0.0008906200000000, -0.0001483600000000 ] - [ -0.0031488100000000, 0.0000000000000000, 0.0000953600000000 ] - [ -0.0014503500000000, 0.0000000000000000, -0.0001568600000000 ] - [ -0.0066993400000000, 0.0000000000000000, 0.0026993800000000 ] - [ -0.0020925800000000, 0.0000000000000000, 0.0007562600000000 ] - [ -0.0010608300000000, -0.0005505200000000, -0.0003243400000000 ] - [ -0.0009449200000000, -0.0007323800000000, -0.0005500200000000 ] - [ -0.0013954400000000, 0.0101216300000000, -0.0120247200000000 ] - [ 0.0007803600000000, -0.0016286700000000, 0.0002940000000000 ] - [ -0.0013954400000000, -0.0101216300000000, -0.0120247200000000 ] - [ 0.0007803600000000, 0.0016286700000000, 0.0002940000000000 ] - [ -0.0010608300000000, 0.0005505200000000, -0.0003243400000000 ] - [ -0.0009449200000000, 0.0007323800000000, -0.0005500200000000 ] - [ -0.0001481300000000, -0.0005884700000000, -0.0000684900000000 ] - [ -0.0002346900000000, 0.0008465200000000, -0.0007658900000000 ] - [ -0.0009058200000000, 0.0003757100000000, -0.0007517400000000 ] - [ -0.0007553700000000, 0.0000801900000000, -0.0008069400000000 ] - [ -0.0009058200000000, -0.0003757100000000, -0.0007517400000000 ] - [ -0.0007553700000000, -0.0000801900000000, -0.0008069400000000 ] - [ -0.0160241000000000, 0.0000000000000000, -0.0000235400000000 ] - [ 0.0001324800000000, 0.0000000000000000, -0.0004078200000000 ] - [ -0.0011877000000000, -0.0001004800000000, -0.0000874500000000 ] - [ -0.0011877000000000, 0.0001004800000000, -0.0000874500000000 ] - [ -0.0020302200000000, 0.0017641300000000, -0.0005820800000000 ] - [ -0.0004956100000000, -0.0003727300000000, -0.0001567400000000 ] - [ -0.0011186800000000, -0.0007520700000000, 0.0004555800000000 ] - [ -0.0005372400000000, -0.0000373900000000, 0.0002385300000000 ] - [ -0.0011186800000000, 0.0007520700000000, 0.0004555800000000 ] - [ -0.0005372400000000, 0.0000373900000000, 0.0002385300000000 ] - [ -0.0020302200000000, -0.0017641300000000, -0.0005820800000000 ] - [ -0.0004956100000000, 0.0003727300000000, -0.0001567400000000 ] - [ -0.0001481300000000, 0.0005884700000000, -0.0000684900000000 ] - [ -0.0002346900000000, -0.0008465200000000, -0.0007658900000000 ] - [ -0.0011065800000000, 0.0006224200000000, -0.0012315200000000 ] - [ -0.0007206100000000, 0.0010474800000000, -0.0010329700000000 ] - [ -0.0011065800000000, -0.0006224200000000, -0.0012315200000000 ] - [ -0.0007206100000000, -0.0010474800000000, -0.0010329700000000 ] - [ -0.0027060400000000, 0.0000000000000000, -0.0040034100000000 ] - [ -0.0002499900000000, 0.0000000000000000, -0.0010715000000000 ] - [ 0.0013647800000000, -0.0048414600000000, 0.0018893400000000 ] - [ 0.0013647800000000, 0.0048414600000000, 0.0018893400000000 ] - [ 0.0019665800000000, 0.0005301400000000, -0.0002456500000000 ] - [ 0.0019665800000000, -0.0005301400000000, -0.0002456500000000 ] - [ 0.0055463300000000, 0.0000000000000000, 0.0052788900000000 ] - [ -0.0000786700000000, 0.0000000000000000, 0.0005122200000000 ] - [ 0.0004941300000000, 0.0000000000000000, 0.0019264200000000 ] - [ 0.0001843200000000, 0.0000000000000000, 0.0001310400000000 ] - [ -0.0037711900000000, 0.0035722800000000, -0.0006540900000000 ] - [ -0.0037711900000000, -0.0035722800000000, -0.0006540900000000 ] - [ 0.0013116700000000, 0.0028238100000000, -0.0005316200000000 ] - [ 0.0013116700000000, -0.0028238100000000, -0.0005316200000000 ] - [ 0.0021302800000000, 0.0000000000000000, -0.0001822800000000 ] - [ 0.0013064700000000, 0.0000000000000000, 0.0001827200000000 ] - [ -0.0086282500000000, -0.0084149300000000, -0.0127643000000000 ] - [ -0.0086282500000000, 0.0084149300000000, -0.0127643000000000 ] - [ 0.0139525700000000, 0.0000000000000000, -0.0064714300000000 ] - [ 0.0017968200000000, 0.0000000000000000, -0.0009222200000000 ] - [ -0.0055148700000000, 0.0000000000000000, -0.0222005900000000 ] - [ -0.0031240800000000, 0.0000000000000000, -0.0031578600000000 ] - [ 0.0046155200000000, -0.0017292600000000, 0.0016845400000000 ] - [ 0.0046155200000000, 0.0017292600000000, 0.0016845400000000 ] - [ 0.0011150700000000, -0.0010541800000000, -0.0026657600000000 ] - [ 0.0011150700000000, 0.0010541800000000, -0.0026657600000000 ] - [ -0.0293957600000000, 0.0000000000000000, 0.0444272700000000 ] - [ -0.0021172900000000, 0.0000000000000000, 0.0013173700000000 ] - [ 0.0059336900000000, 0.0000000000000000, 0.0004082300000000 ] - [ 0.0032243100000000, 0.0000000000000000, 0.0011381100000000 ] - [ -0.0027794600000000, 0.0059259800000000, 0.0062430200000000 ] - [ -0.0027794600000000, -0.0059259800000000, 0.0062430200000000 ] - [ 0.0021649100000000, -0.0001297800000000, 0.0007065000000000 ] - [ 0.0021649100000000, 0.0001297800000000, 0.0007065000000000 ] - [ -0.0525801900000000, 0.0000000000000000, 0.0361152600000000 ] - [ -0.0026749400000000, 0.0000000000000000, -0.0000616100000000 ] - [ 0.0038427100000000, 0.0000000000000000, -0.0020803600000000 ] - [ -0.0001119500000000, 0.0000000000000000, -0.0000615700000000 ] - [ 0.0040168400000000, 0.0013517800000000, 0.0016310100000000 ] - [ 0.0040168400000000, -0.0013517800000000, 0.0016310100000000 ]- atom: 1 displacement: [ 0.0011848924261905, 0.0000000000000000, -0.0099295533604667 ] forces: - [ -0.1546687300000000, 0.0000000000000000, 0.1040699500000000 ] - [ -0.0033428900000000, 0.0000000000000000, 0.0012896400000000 ] - [ 0.0016381600000000, -0.0000213500000000, -0.0007013500000000 ] - [ 0.0016381600000000, 0.0000213500000000, -0.0007013500000000 ] - [ 0.0363809400000000, 0.0000000000000000, -0.0018246900000000 ] - [ 0.0007063000000000, 0.0000000000000000, 0.0000892200000000 ] - [ 0.0002058400000000, -0.0008971400000000, -0.0023165100000000 ] - [ 0.0002058400000000, 0.0008971400000000, -0.0023165100000000 ] - [ -0.0065475600000000, -0.0005034100000000, 0.0018933300000000 ] - [ -0.0065475600000000, 0.0005034100000000, 0.0018933300000000 ] - [ -0.0033287000000000, -0.0053472000000000, -0.0067253300000000 ] - [ -0.0014574900000000, -0.0021374800000000, -0.0025355600000000 ] - [ 0.0028473900000000, -0.0027238400000000, 0.0015955500000000 ] - [ 0.0008068100000000, -0.0000890200000000, 0.0000279800000000 ] - [ 0.0028473900000000, 0.0027238400000000, 0.0015955500000000 ] - [ 0.0008068100000000, 0.0000890200000000, 0.0000279800000000 ] - [ -0.0033287000000000, 0.0053472000000000, -0.0067253300000000 ] - [ -0.0014574900000000, 0.0021374800000000, -0.0025355600000000 ] - [ 0.0002282400000000, 0.0014684700000000, -0.0019468100000000 ] - [ 0.0001989800000000, -0.0005415100000000, 0.0002233100000000 ] - [ 0.0056178700000000, -0.0055686800000000, -0.0166919200000000 ] - [ -0.0006573400000000, 0.0012621200000000, -0.0009334000000000 ] - [ 0.0056178700000000, 0.0055686800000000, -0.0166919200000000 ] - [ -0.0006573400000000, -0.0012621200000000, -0.0009334000000000 ] - [ 0.0012811100000000, -0.0004914200000000, 0.0005944100000000 ] - [ 0.0012811100000000, 0.0004914200000000, 0.0005944100000000 ] - [ -0.0039091500000000, 0.0000000000000000, -0.0051300000000000 ] - [ -0.0008364800000000, 0.0000000000000000, -0.0004224000000000 ] - [ 0.0006493000000000, -0.0035213600000000, 0.0049121500000000 ] - [ -0.0007904100000000, 0.0008109300000000, 0.0006628700000000 ] - [ -0.0010411100000000, -0.0008385700000000, -0.0002893100000000 ] - [ -0.0002742200000000, -0.0005514100000000, -0.0004613700000000 ] - [ -0.0010411100000000, 0.0008385700000000, -0.0002893100000000 ] - [ -0.0002742200000000, 0.0005514100000000, -0.0004613700000000 ] - [ 0.0006493000000000, 0.0035213600000000, 0.0049121500000000 ] - [ -0.0007904100000000, -0.0008109300000000, 0.0006628700000000 ] - [ 0.0002282400000000, -0.0014684700000000, -0.0019468100000000 ] - [ 0.0001989800000000, 0.0005415100000000, 0.0002233100000000 ] - [ 0.0028189500000000, 0.0188113300000000, -0.0181563000000000 ] - [ -0.0005367500000000, -0.0008386700000000, -0.0006202800000000 ] - [ 0.0028189500000000, -0.0188113300000000, -0.0181563000000000 ] - [ -0.0005367500000000, 0.0008386700000000, -0.0006202800000000 ] - [ 0.0031445600000000, 0.0000372800000000, -0.0007839700000000 ] - [ 0.0031445600000000, -0.0000372800000000, -0.0007839700000000 ] - [ 0.0034801700000000, 0.0000000000000000, -0.0037828900000000 ] - [ -0.0011992600000000, 0.0000000000000000, 0.0001127000000000 ] - [ 0.0020164800000000, 0.0009059800000000, 0.0008567900000000 ] - [ 0.0020164800000000, -0.0009059800000000, 0.0008567900000000 ] - [ 0.0024090900000000, 0.0000000000000000, -0.0007960400000000 ] - [ 0.0007048200000000, 0.0000000000000000, -0.0005430000000000 ] - [ 0.0067553300000000, 0.0000000000000000, -0.0027194400000000 ] - [ 0.0021100900000000, 0.0000000000000000, -0.0007606500000000 ] - [ 0.0006819700000000, 0.0001269000000000, 0.0003496900000000 ] - [ 0.0005657700000000, 0.0003107200000000, 0.0005774800000000 ] - [ 0.0019229700000000, -0.0106529800000000, 0.0120587800000000 ] - [ -0.0004014700000000, 0.0012204800000000, -0.0003207800000000 ] - [ 0.0019229700000000, 0.0106529800000000, 0.0120587800000000 ] - [ -0.0004014700000000, -0.0012204800000000, -0.0003207800000000 ] - [ 0.0006819700000000, -0.0001269000000000, 0.0003496900000000 ] - [ 0.0005657700000000, -0.0003107200000000, 0.0005774800000000 ] - [ 0.0000109200000000, 0.0002543800000000, 0.0005358300000000 ] - [ 0.0000970600000000, -0.0011865400000000, 0.0012296800000000 ] - [ 0.0009116300000000, 0.0002100000000000, 0.0007560900000000 ] - [ 0.0007602400000000, 0.0005080500000000, 0.0008112300000000 ] - [ 0.0009116300000000, -0.0002100000000000, 0.0007560900000000 ] - [ 0.0007602400000000, -0.0005080500000000, 0.0008112300000000 ] - [ 0.0159489400000000, 0.0000000000000000, -0.0002807300000000 ] - [ -0.0002484300000000, 0.0000000000000000, 0.0000409000000000 ] - [ 0.0013096100000000, 0.0001006100000000, 0.0004541200000000 ] - [ 0.0013096100000000, -0.0001006100000000, 0.0004541200000000 ] - [ 0.0022810500000000, -0.0022339300000000, 0.0005169900000000 ] - [ 0.0007353400000000, -0.0000839300000000, 0.0000874500000000 ] - [ 0.0008865000000000, 0.0002961000000000, -0.0003882200000000 ] - [ 0.0003043900000000, -0.0004205000000000, -0.0001706200000000 ] - [ 0.0008865000000000, -0.0002961000000000, -0.0003882200000000 ] - [ 0.0003043900000000, 0.0004205000000000, -0.0001706200000000 ] - [ 0.0022810500000000, 0.0022339300000000, 0.0005169900000000 ] - [ 0.0007353400000000, 0.0000839300000000, 0.0000874500000000 ] - [ 0.0000109200000000, -0.0002543800000000, 0.0005358300000000 ] - [ 0.0000970600000000, 0.0011865400000000, 0.0012296800000000 ] - [ 0.0012571200000000, -0.0002987300000000, 0.0007915300000000 ] - [ 0.0008693300000000, -0.0007275800000000, 0.0005909800000000 ] - [ 0.0012571200000000, 0.0002987300000000, 0.0007915300000000 ] - [ 0.0008693300000000, 0.0007275800000000, 0.0005909800000000 ] - [ 0.0037649700000000, 0.0000000000000000, 0.0033158000000000 ] - [ 0.0013040000000000, 0.0000000000000000, 0.0003567100000000 ] - [ -0.0024242700000000, 0.0048584800000000, -0.0011959800000000 ] - [ -0.0024242700000000, -0.0048584800000000, -0.0011959800000000 ] - [ -0.0009249400000000, -0.0005316900000000, -0.0004770000000000 ] - [ -0.0009249400000000, 0.0005316900000000, -0.0004770000000000 ] - [ -0.0066553400000000, 0.0000000000000000, -0.0045942700000000 ] - [ -0.0009758600000000, 0.0000000000000000, 0.0002116800000000 ] - [ -0.0010163100000000, 0.0000000000000000, -0.0023283100000000 ] - [ -0.0007056000000000, 0.0000000000000000, -0.0005257700000000 ] - [ 0.0043078600000000, -0.0035849100000000, 0.0010717100000000 ] - [ 0.0043078600000000, 0.0035849100000000, 0.0010717100000000 ] - [ -0.0018311600000000, -0.0028389400000000, 0.0001524600000000 ] - [ -0.0018311600000000, 0.0028389400000000, 0.0001524600000000 ] - [ -0.0016261700000000, 0.0000000000000000, 0.0005837400000000 ] - [ -0.0007978500000000, 0.0000000000000000, 0.0002145500000000 ] - [ 0.0094343100000000, 0.0085277600000000, 0.0135433300000000 ] - [ 0.0094343100000000, -0.0085277600000000, 0.0135433300000000 ] - [ -0.0147439200000000, 0.0000000000000000, 0.0058070600000000 ] - [ -0.0025132200000000, 0.0000000000000000, 0.0002376300000000 ] - [ 0.0045890200000000, 0.0000000000000000, 0.0219493100000000 ] - [ 0.0021884300000000, 0.0000000000000000, 0.0028826700000000 ] - [ -0.0036801700000000, 0.0017387400000000, -0.0013880100000000 ] - [ -0.0036801700000000, -0.0017387400000000, -0.0013880100000000 ] - [ -0.0013346100000000, 0.0010649400000000, 0.0015980900000000 ] - [ -0.0013346100000000, -0.0010649400000000, 0.0015980900000000 ] - [ 0.0317238700000000, 0.0000000000000000, -0.0438150000000000 ] - [ 0.0023226400000000, 0.0000000000000000, -0.0002558300000000 ] - [ -0.0052789600000000, 0.0000000000000000, 0.0002643100000000 ] - [ -0.0025526500000000, 0.0000000000000000, -0.0004680300000000 ] - [ 0.0020927600000000, -0.0060157500000000, -0.0070281500000000 ] - [ 0.0020927600000000, 0.0060157500000000, -0.0070281500000000 ] - [ -0.0031517200000000, 0.0001313100000000, -0.0010136000000000 ] - [ -0.0031517200000000, -0.0001313100000000, -0.0010136000000000 ] - [ 0.0518521500000000, 0.0000000000000000, -0.0358952600000000 ] - [ 0.0036670500000000, 0.0000000000000000, 0.0003859800000000 ] - [ -0.0040335800000000, 0.0000000000000000, 0.0009830200000000 ] - [ -0.0000771300000000, 0.0000000000000000, -0.0010284800000000 ] - [ -0.0038637300000000, -0.0013645600000000, -0.0005593800000000 ] - [ -0.0038637300000000, 0.0013645600000000, -0.0005593800000000 ]- atom: 5 displacement: [ 0.0099999983100469, 0.0000000000000000, 0.0000058136957938 ] forces: - [ 0.0455572400000000, 0.0000000000000000, -0.0302847200000000 ] - [ 0.0004606800000000, 0.0000000000000000, -0.0001751000000000 ] - [ -0.0004321100000000, -0.0007350900000000, -0.0007274500000000 ] - [ -0.0004321100000000, 0.0007350900000000, -0.0007274500000000 ] - [ -0.2651110900000000, 0.0000000000000000, 0.0491163300000000 ] - [ -0.0057927700000000, 0.0000000000000000, 0.0015382600000000 ] - [ -0.0120587200000000, 0.0011772700000000, 0.0027435300000000 ] - [ -0.0120587200000000, -0.0011772700000000, 0.0027435300000000 ] - [ 0.0064213200000000, 0.0019363300000000, -0.0006618000000000 ] - [ 0.0064213200000000, -0.0019363300000000, -0.0006618000000000 ] - [ -0.0001111100000000, -0.0000184000000000, 0.0021649300000000 ] - [ 0.0000041600000000, 0.0031501000000000, 0.0031296200000000 ] - [ 0.0223965000000000, -0.0271210700000000, 0.0171087100000000 ] - [ -0.0023164200000000, 0.0030382300000000, -0.0017226000000000 ] - [ 0.0223965000000000, 0.0271210700000000, 0.0171087100000000 ] - [ -0.0023164200000000, -0.0030382300000000, -0.0017226000000000 ] - [ -0.0001111100000000, 0.0000184000000000, 0.0021649300000000 ] - [ 0.0000041600000000, -0.0031501000000000, 0.0031296200000000 ] - [ -0.0029917500000000, 0.0206634500000000, -0.0226814100000000 ] - [ -0.0014415100000000, -0.0015849600000000, 0.0003016100000000 ] - [ 0.0012507700000000, -0.0008929200000000, -0.0027753800000000 ] - [ 0.0005523500000000, 0.0005815200000000, 0.0006458200000000 ] - [ 0.0012507700000000, 0.0008929200000000, -0.0027753800000000 ] - [ 0.0005523500000000, -0.0005815200000000, 0.0006458200000000 ] - [ -0.0079204900000000, -0.0008821000000000, -0.0014160300000000 ] - [ -0.0079204900000000, 0.0008821000000000, -0.0014160300000000 ] - [ -0.0026042100000000, 0.0000000000000000, -0.0020460300000000 ] - [ -0.0019435500000000, 0.0000000000000000, -0.0005796900000000 ] - [ 0.0006946400000000, 0.0197616300000000, -0.0141620500000000 ] - [ -0.0018325500000000, -0.0017041500000000, 0.0001362000000000 ] - [ -0.0035708200000000, -0.0013194100000000, -0.0012389400000000 ] - [ -0.0025992100000000, -0.0015529800000000, -0.0009925600000000 ] - [ -0.0035708200000000, 0.0013194100000000, -0.0012389400000000 ] - [ -0.0025992100000000, 0.0015529800000000, -0.0009925600000000 ] - [ 0.0006946400000000, -0.0197616300000000, -0.0141620500000000 ] - [ -0.0018325500000000, 0.0017041500000000, 0.0001362000000000 ] - [ -0.0029917500000000, -0.0206634500000000, -0.0226814100000000 ] - [ -0.0014415100000000, 0.0015849600000000, 0.0003016100000000 ] - [ 0.0152154700000000, -0.0300212600000000, 0.0218312900000000 ] - [ -0.0013483300000000, 0.0035481300000000, -0.0014559300000000 ] - [ 0.0152154700000000, 0.0300212600000000, 0.0218312900000000 ] - [ -0.0013483300000000, -0.0035481300000000, -0.0014559300000000 ] - [ 0.0055415800000000, -0.0014718300000000, -0.0008613200000000 ] - [ 0.0055415800000000, 0.0014718300000000, -0.0008613200000000 ] - [ 0.0050912600000000, 0.0000000000000000, -0.0023044900000000 ] - [ 0.0028332200000000, 0.0000000000000000, -0.0008612000000000 ] - [ 0.0067716100000000, 0.0002655500000000, -0.0001366600000000 ] - [ 0.0067716100000000, -0.0002655500000000, -0.0001366600000000 ] - [ 0.0098929500000000, 0.0000000000000000, -0.0027020300000000 ] - [ 0.0034066300000000, 0.0000000000000000, -0.0006087600000000 ] - [ 0.0488318500000000, 0.0000000000000000, -0.0223164200000000 ] - [ -0.0000978300000000, 0.0000000000000000, 0.0000166300000000 ] - [ 0.0009357600000000, -0.0027028900000000, -0.0024568400000000 ] - [ 0.0010882100000000, 0.0012526400000000, 0.0012578500000000 ] - [ 0.0043446100000000, -0.0047337300000000, 0.0033170600000000 ] - [ 0.0014494000000000, 0.0001901100000000, 0.0000140800000000 ] - [ 0.0043446100000000, 0.0047337300000000, 0.0033170600000000 ] - [ 0.0014494000000000, -0.0001901100000000, 0.0000140800000000 ] - [ 0.0009357600000000, 0.0027028900000000, -0.0024568400000000 ] - [ 0.0010882100000000, -0.0012526400000000, 0.0012578500000000 ] - [ 0.0020327000000000, -0.0016460400000000, 0.0020308500000000 ] - [ 0.0018767300000000, -0.0018934900000000, 0.0019547700000000 ] - [ 0.0001342200000000, -0.0002219200000000, 0.0022050200000000 ] - [ -0.0000176800000000, 0.0023728200000000, 0.0026523400000000 ] - [ 0.0001342200000000, 0.0002219200000000, 0.0022050200000000 ] - [ -0.0000176800000000, -0.0023728200000000, 0.0026523400000000 ] - [ 0.0064017700000000, 0.0000000000000000, 0.0005634400000000 ] - [ 0.0021512500000000, 0.0000000000000000, 0.0004213400000000 ] - [ 0.0022574900000000, -0.0004099800000000, 0.0007356400000000 ] - [ 0.0022574900000000, 0.0004099800000000, 0.0007356400000000 ] - [ 0.0023916300000000, -0.0012657900000000, 0.0002408200000000 ] - [ 0.0018573600000000, -0.0010291400000000, 0.0001227300000000 ] - [ 0.0016154300000000, 0.0001030100000000, -0.0000729600000000 ] - [ 0.0013837600000000, 0.0004631500000000, 0.0001166300000000 ] - [ 0.0016154300000000, -0.0001030100000000, -0.0000729600000000 ] - [ 0.0013837600000000, -0.0004631500000000, 0.0001166300000000 ] - [ 0.0023916300000000, 0.0012657900000000, 0.0002408200000000 ] - [ 0.0018573600000000, 0.0010291400000000, 0.0001227300000000 ] - [ 0.0020327000000000, 0.0016460400000000, 0.0020308500000000 ] - [ 0.0018767300000000, 0.0018934900000000, 0.0019547700000000 ] - [ 0.0036105600000000, -0.0032612800000000, 0.0026562800000000 ] - [ 0.0011317800000000, 0.0003415500000000, 0.0000211600000000 ] - [ 0.0036105600000000, 0.0032612800000000, 0.0026562800000000 ] - [ 0.0011317800000000, -0.0003415500000000, 0.0000211600000000 ] - [ 0.0088233600000000, 0.0000000000000000, 0.0005289000000000 ] - [ 0.0048533600000000, 0.0000000000000000, 0.0001389200000000 ] - [ 0.0163496200000000, -0.0072697300000000, -0.0005576800000000 ] - [ 0.0163496200000000, 0.0072697300000000, -0.0005576800000000 ] - [ -0.0028663900000000, 0.0006489200000000, -0.0008897300000000 ] - [ -0.0028663900000000, -0.0006489200000000, -0.0008897300000000 ] - [ -0.0062947700000000, 0.0000000000000000, -0.0017654300000000 ] - [ -0.0036333200000000, 0.0000000000000000, -0.0000183200000000 ] - [ 0.0076617300000000, 0.0000000000000000, -0.0035339800000000 ] - [ 0.0027052700000000, 0.0000000000000000, 0.0003346600000000 ] - [ 0.0010948400000000, -0.0022060200000000, 0.0026239200000000 ] - [ 0.0010948400000000, 0.0022060200000000, 0.0026239200000000 ] - [ -0.0028254300000000, -0.0008273900000000, -0.0000105400000000 ] - [ -0.0028254300000000, 0.0008273900000000, -0.0000105400000000 ] - [ -0.0023671200000000, 0.0000000000000000, 0.0000697200000000 ] - [ -0.0015825900000000, 0.0000000000000000, -0.0000685100000000 ] - [ -0.0015721300000000, -0.0181145100000000, -0.0167010200000000 ] - [ -0.0015721300000000, 0.0181145100000000, -0.0167010200000000 ] - [ 0.0242156600000000, 0.0000000000000000, 0.0063952200000000 ] - [ 0.0056026800000000, 0.0000000000000000, 0.0003902700000000 ] - [ -0.0026097700000000, 0.0000000000000000, 0.0011780000000000 ] - [ -0.0018967100000000, 0.0000000000000000, -0.0024627600000000 ] - [ -0.0018736600000000, 0.0170972700000000, -0.0129335400000000 ] - [ -0.0018736600000000, -0.0170972700000000, -0.0129335400000000 ] - [ 0.0128285000000000, 0.0114226300000000, 0.0095835100000000 ] - [ 0.0128285000000000, -0.0114226300000000, 0.0095835100000000 ] - [ 0.0835767700000000, 0.0000000000000000, 0.0117630800000000 ] - [ 0.0046545600000000, 0.0000000000000000, 0.0026432500000000 ] - [ -0.0232945800000000, 0.0000000000000000, 0.0080407700000000 ] - [ -0.0030431600000000, 0.0000000000000000, -0.0004959500000000 ] - [ -0.0107148800000000, -0.0030524600000000, -0.0021723900000000 ] - [ -0.0107148800000000, 0.0030524600000000, -0.0021723900000000 ] - [ -0.0021179300000000, 0.0028067500000000, -0.0002174700000000 ] - [ -0.0021179300000000, -0.0028067500000000, -0.0002174700000000 ] - [ -0.0244476000000000, 0.0000000000000000, 0.0058884500000000 ] - [ -0.0022216400000000, 0.0000000000000000, 0.0002347300000000 ] - [ -0.0094884400000000, 0.0000000000000000, -0.0011224800000000 ] - [ -0.0055658900000000, 0.0000000000000000, -0.0023234900000000 ] - [ -0.0089824700000000, 0.0021982400000000, -0.0005463800000000 ] - [ -0.0089824700000000, -0.0021982400000000, -0.0005463800000000 ]- atom: 5 displacement: [ -0.0099999983100469, 0.0000000000000000, -0.0000058136957938 ] forces: - [ -0.0463622000000000, 0.0000000000000000, 0.0309176700000000 ] - [ -0.0005870600000000, 0.0000000000000000, 0.0003552300000000 ] - [ 0.0005848900000000, 0.0007399700000000, 0.0005480400000000 ] - [ 0.0005848900000000, -0.0007399700000000, 0.0005480400000000 ] - [ 0.2695480200000000, 0.0000000000000000, -0.0476153500000000 ] - [ 0.0065328500000000, 0.0000000000000000, -0.0008223300000000 ] - [ 0.0113763300000000, -0.0011782200000000, -0.0034570300000000 ] - [ 0.0113763300000000, 0.0011782200000000, -0.0034570300000000 ] - [ -0.0064364200000000, -0.0019535100000000, 0.0006587300000000 ] - [ -0.0064364200000000, 0.0019535100000000, 0.0006587300000000 ] - [ -0.0002542800000000, -0.0004064600000000, -0.0021531800000000 ] - [ -0.0003797600000000, -0.0036047000000000, -0.0031340700000000 ] - [ -0.0217910000000000, 0.0263140200000000, -0.0168613500000000 ] - [ 0.0026603500000000, -0.0034506300000000, 0.0016884500000000 ] - [ -0.0217910000000000, -0.0263140200000000, -0.0168613500000000 ] - [ 0.0026603500000000, 0.0034506300000000, 0.0016884500000000 ] - [ -0.0002542800000000, 0.0004064600000000, -0.0021531800000000 ] - [ -0.0003797600000000, 0.0036047000000000, -0.0031340700000000 ] - [ 0.0026916100000000, -0.0209592100000000, 0.0231037700000000 ] - [ 0.0012857300000000, 0.0012632400000000, 0.0001554200000000 ] - [ -0.0012402600000000, 0.0014990600000000, 0.0028138500000000 ] - [ -0.0005397200000000, 0.0000090700000000, -0.0006472000000000 ] - [ -0.0012402600000000, -0.0014990600000000, 0.0028138500000000 ] - [ -0.0005397200000000, -0.0000090700000000, -0.0006472000000000 ] - [ 0.0077338300000000, 0.0008755600000000, 0.0010376800000000 ] - [ 0.0077338300000000, -0.0008755600000000, 0.0010376800000000 ] - [ 0.0027633300000000, 0.0000000000000000, 0.0024297600000000 ] - [ 0.0020802100000000, 0.0000000000000000, 0.0009427800000000 ] - [ -0.0002262400000000, -0.0202230300000000, 0.0141129000000000 ] - [ 0.0021352200000000, 0.0011722700000000, -0.0002532100000000 ] - [ 0.0033394500000000, 0.0008451100000000, 0.0012943800000000 ] - [ 0.0023604200000000, 0.0010898600000000, 0.0010537200000000 ] - [ 0.0033394500000000, -0.0008451100000000, 0.0012943800000000 ] - [ 0.0023604200000000, -0.0010898600000000, 0.0010537200000000 ] - [ -0.0002262400000000, 0.0202230300000000, 0.0141129000000000 ] - [ 0.0021352200000000, -0.0011722700000000, -0.0002532100000000 ] - [ 0.0026916100000000, 0.0209592100000000, 0.0231037700000000 ] - [ 0.0012857300000000, -0.0012632400000000, 0.0001554200000000 ] - [ -0.0151584900000000, 0.0307852900000000, -0.0226022200000000 ] - [ 0.0015282500000000, -0.0032641000000000, 0.0010521200000000 ] - [ -0.0151584900000000, -0.0307852900000000, -0.0226022200000000 ] - [ 0.0015282500000000, 0.0032641000000000, 0.0010521200000000 ] - [ -0.0057471300000000, 0.0014621400000000, 0.0010619600000000 ] - [ -0.0057471300000000, -0.0014621400000000, 0.0010619600000000 ] - [ -0.0048797900000000, 0.0000000000000000, 0.0021071600000000 ] - [ -0.0026197800000000, 0.0000000000000000, 0.0006627200000000 ] - [ -0.0060183400000000, -0.0002720700000000, 0.0008312800000000 ] - [ -0.0060183400000000, 0.0002720700000000, 0.0008312800000000 ] - [ -0.0106022000000000, 0.0000000000000000, 0.0019876700000000 ] - [ -0.0041740800000000, 0.0000000000000000, -0.0000852800000000 ] - [ -0.0481088000000000, 0.0000000000000000, 0.0220662900000000 ] - [ 0.0000491300000000, 0.0000000000000000, 0.0000011100000000 ] - [ -0.0013321300000000, 0.0022288800000000, 0.0024303600000000 ] - [ -0.0014796700000000, -0.0016854600000000, -0.0012420600000000 ] - [ -0.0039785800000000, 0.0043362100000000, -0.0033580600000000 ] - [ -0.0010557000000000, -0.0006425900000000, -0.0000172200000000 ] - [ -0.0039785800000000, -0.0043362100000000, -0.0033580600000000 ] - [ -0.0010557000000000, 0.0006425900000000, -0.0000172200000000 ] - [ -0.0013321300000000, -0.0022288800000000, 0.0024303600000000 ] - [ -0.0014796700000000, 0.0016854600000000, -0.0012420600000000 ] - [ -0.0021772600000000, 0.0013120300000000, -0.0015793700000000 ] - [ -0.0020260700000000, 0.0015750200000000, -0.0015113500000000 ] - [ -0.0001671300000000, 0.0008289900000000, -0.0022059700000000 ] - [ 0.0000059200000000, -0.0017674000000000, -0.0026374700000000 ] - [ -0.0001671300000000, -0.0008289900000000, -0.0022059700000000 ] - [ 0.0000059200000000, 0.0017674000000000, -0.0026374700000000 ] - [ -0.0065494100000000, 0.0000000000000000, -0.0009277200000000 ] - [ -0.0022559500000000, 0.0000000000000000, -0.0007906000000000 ] - [ -0.0021524600000000, 0.0004058700000000, -0.0003710100000000 ] - [ -0.0021524600000000, -0.0004058700000000, -0.0003710100000000 ] - [ -0.0021553600000000, 0.0008099900000000, -0.0003111500000000 ] - [ -0.0016153900000000, 0.0005619600000000, -0.0001931700000000 ] - [ -0.0018588400000000, -0.0005695600000000, 0.0001427500000000 ] - [ -0.0016266100000000, -0.0009232900000000, -0.0000447900000000 ] - [ -0.0018588400000000, 0.0005695600000000, 0.0001427500000000 ] - [ -0.0016266100000000, 0.0009232900000000, -0.0000447900000000 ] - [ -0.0021553600000000, -0.0008099900000000, -0.0003111500000000 ] - [ -0.0016153900000000, -0.0005619600000000, -0.0001931700000000 ] - [ -0.0021772600000000, -0.0013120300000000, -0.0015793700000000 ] - [ -0.0020260700000000, -0.0015750200000000, -0.0015113500000000 ] - [ -0.0034509500000000, 0.0035635500000000, -0.0030910100000000 ] - [ -0.0009961500000000, 0.0000043400000000, -0.0004852600000000 ] - [ -0.0034509500000000, -0.0035635500000000, -0.0030910100000000 ] - [ -0.0009961500000000, -0.0000043400000000, -0.0004852600000000 ] - [ -0.0078130000000000, 0.0000000000000000, -0.0012931200000000 ] - [ -0.0038143600000000, 0.0000000000000000, -0.0008623900000000 ] - [ -0.0174679700000000, 0.0069089700000000, 0.0014339100000000 ] - [ -0.0174679700000000, -0.0069089700000000, 0.0014339100000000 ] - [ 0.0039269700000000, -0.0006399200000000, 0.0001719200000000 ] - [ 0.0039269700000000, 0.0006399200000000, 0.0001719200000000 ] - [ 0.0052472700000000, 0.0000000000000000, 0.0024887000000000 ] - [ 0.0025719100000000, 0.0000000000000000, 0.0007380200000000 ] - [ -0.0080714700000000, 0.0000000000000000, 0.0033454200000000 ] - [ -0.0031970000000000, 0.0000000000000000, -0.0007048700000000 ] - [ -0.0006241300000000, 0.0022093000000000, -0.0022085200000000 ] - [ -0.0006241300000000, -0.0022093000000000, -0.0022085200000000 ] - [ 0.0022981700000000, 0.0008364500000000, -0.0003811200000000 ] - [ 0.0022981700000000, -0.0008364500000000, -0.0003811200000000 ] - [ 0.0029030300000000, 0.0000000000000000, 0.0003190800000000 ] - [ 0.0021141600000000, 0.0000000000000000, 0.0004561500000000 ] - [ 0.0022641000000000, 0.0182867500000000, 0.0174976600000000 ] - [ 0.0022641000000000, -0.0182867500000000, 0.0174976600000000 ] - [ -0.0200243700000000, 0.0000000000000000, -0.0091639400000000 ] - [ -0.0062297700000000, 0.0000000000000000, -0.0010800100000000 ] - [ 0.0015907600000000, 0.0000000000000000, -0.0015149500000000 ] - [ 0.0009033400000000, 0.0000000000000000, 0.0021667000000000 ] - [ 0.0028862700000000, -0.0169894800000000, 0.0131566000000000 ] - [ 0.0028862700000000, 0.0169894800000000, 0.0131566000000000 ] - [ -0.0130499400000000, -0.0114716700000000, -0.0107043000000000 ] - [ -0.0130499400000000, 0.0114716700000000, -0.0107043000000000 ] - [ -0.0924025900000000, 0.0000000000000000, -0.0098003700000000 ] - [ -0.0045379400000000, 0.0000000000000000, -0.0016644900000000 ] - [ 0.0238514000000000, 0.0000000000000000, -0.0072577700000000 ] - [ 0.0037999300000000, 0.0000000000000000, 0.0011844700000000 ] - [ 0.0100105800000000, 0.0030909500000000, 0.0014960400000000 ] - [ 0.0100105800000000, -0.0030909500000000, 0.0014960400000000 ] - [ 0.0012218800000000, -0.0027937700000000, -0.0000686800000000 ] - [ 0.0012218800000000, 0.0027937700000000, -0.0000686800000000 ] - [ 0.0255469200000000, 0.0000000000000000, -0.0056491200000000 ] - [ 0.0031105900000000, 0.0000000000000000, 0.0000720700000000 ] - [ 0.0092674000000000, 0.0000000000000000, 0.0000444800000000 ] - [ 0.0053555200000000, 0.0000000000000000, 0.0012434300000000 ] - [ 0.0091930100000000, -0.0021677000000000, 0.0016289100000000 ] - [ 0.0091930100000000, 0.0021677000000000, 0.0016289100000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000107800000000, 0.0016738500000000, 0.0000192200000000 ] - [ -0.0001177900000000, 0.0008855300000000, 0.0000969000000000 ] - [ -0.0013236600000000, 0.0002293800000000, 0.0006341600000000 ] - [ 0.0015266000000000, 0.0002258800000000, -0.0008193200000000 ] - [ 0.0003120800000000, -0.0462346900000000, 0.0003150500000000 ] - [ 0.0003845100000000, 0.0026422400000000, 0.0003422400000000 ] - [ 0.0008018300000000, 0.0003088700000000, 0.0003087500000000 ] - [ -0.0015529700000000, 0.0002921200000000, -0.0009967200000000 ] - [ 0.0015277300000000, 0.0003316300000000, -0.0003138600000000 ] - [ -0.0015351700000000, 0.0003257200000000, 0.0003193100000000 ] - [ -0.0006684100000000, -0.0012048000000000, -0.0009061600000000 ] - [ 0.0003631800000000, 0.0009773000000000, 0.0008182400000000 ] - [ -0.0124728300000000, 0.0033682400000000, -0.0029157100000000 ] - [ 0.0003493900000000, 0.0022575800000000, -0.0012768100000000 ] - [ 0.0129466700000000, 0.0037391900000000, 0.0028798800000000 ] - [ 0.0000505400000000, 0.0026874900000000, 0.0012559500000000 ] - [ 0.0002811400000000, -0.0007696300000000, 0.0009231500000000 ] - [ -0.0007510900000000, 0.0013996200000000, -0.0007958200000000 ] - [ 0.0050076400000000, 0.0042116600000000, -0.0098272500000000 ] - [ -0.0006478000000000, 0.0019767400000000, -0.0005512300000000 ] - [ -0.0003100900000000, -0.0002246900000000, 0.0001269700000000 ] - [ 0.0002551300000000, 0.0008158900000000, -0.0000086600000000 ] - [ 0.0003086900000000, -0.0008037300000000, -0.0001436700000000 ] - [ -0.0002598600000000, 0.0002290800000000, 0.0000102600000000 ] - [ -0.0017450100000000, 0.0002478100000000, -0.0017543400000000 ] - [ 0.0016623500000000, 0.0002270900000000, 0.0014074400000000 ] - [ 0.0000546600000000, -0.0008279800000000, 0.0001831700000000 ] - [ 0.0000545400000000, 0.0007711900000000, 0.0001850100000000 ] - [ 0.0107506500000000, 0.0061480800000000, -0.0100865500000000 ] - [ -0.0023730600000000, 0.0044121500000000, 0.0016171200000000 ] - [ -0.0006251000000000, -0.0013259100000000, -0.0000578600000000 ] - [ 0.0001708100000000, 0.0009535400000000, 0.0001130400000000 ] - [ 0.0003885000000000, -0.0008649500000000, 0.0001299500000000 ] - [ -0.0004050900000000, 0.0014050500000000, -0.0000412500000000 ] - [ -0.0106617100000000, 0.0065767700000000, 0.0101342700000000 ] - [ 0.0025497500000000, 0.0048153200000000, -0.0016319500000000 ] - [ -0.0050965100000000, 0.0045830800000000, 0.0102428200000000 ] - [ 0.0005087700000000, 0.0022957600000000, 0.0009900900000000 ] - [ -0.0088278800000000, 0.0005325600000000, -0.0022194900000000 ] - [ 0.0004452000000000, 0.0026537400000000, -0.0007337300000000 ] - [ 0.0089119300000000, 0.0002670800000000, 0.0017802500000000 ] - [ -0.0003217100000000, 0.0023047100000000, 0.0002537300000000 ] - [ -0.0027483200000000, 0.0005480600000000, 0.0006772900000000 ] - [ 0.0025728300000000, 0.0005476700000000, -0.0004977500000000 ] - [ 0.0000952500000000, -0.0001652200000000, -0.0000930000000000 ] - [ 0.0000934100000000, 0.0001593300000000, -0.0000919000000000 ] - [ 0.0001077000000000, -0.0000003100000000, 0.0002939700000000 ] - [ 0.0006448300000000, -0.0000043500000000, 0.0004074300000000 ] - [ -0.0003924400000000, -0.0001284000000000, -0.0003448400000000 ] - [ -0.0003747200000000, 0.0002156300000000, -0.0003506300000000 ] - [ -0.0001160600000000, 0.0017634400000000, 0.0000492600000000 ] - [ 0.0000095600000000, 0.0004801900000000, -0.0000046100000000 ] - [ -0.0005982600000000, -0.0009910400000000, -0.0005388000000000 ] - [ 0.0002250600000000, 0.0006087300000000, 0.0006743800000000 ] - [ 0.0002834400000000, -0.0006662700000000, 0.0003034700000000 ] - [ 0.0001457600000000, 0.0001303500000000, -0.0002382500000000 ] - [ 0.0001098500000000, -0.0002213400000000, -0.0003127700000000 ] - [ 0.0002317000000000, 0.0005458200000000, 0.0002093900000000 ] - [ 0.0002167100000000, -0.0005841400000000, 0.0005802100000000 ] - [ -0.0006073400000000, 0.0010374200000000, -0.0006524300000000 ] - [ 0.0000528200000000, -0.0004568000000000, 0.0004162400000000 ] - [ -0.0002258400000000, 0.0001667300000000, 0.0000189000000000 ] - [ -0.0004235500000000, -0.0001479000000000, -0.0010476900000000 ] - [ 0.0006322100000000, 0.0011268400000000, 0.0012241500000000 ] - [ 0.0004293700000000, -0.0007379500000000, 0.0010551900000000 ] - [ -0.0006219500000000, 0.0005435800000000, -0.0012162700000000 ] - [ -0.0000478000000000, -0.0000968400000000, -0.0001817300000000 ] - [ -0.0000600700000000, 0.0001616300000000, -0.0001823800000000 ] - [ -0.0003709200000000, 0.0000046500000000, 0.0000115900000000 ] - [ 0.0004870400000000, 0.0000021300000000, 0.0003528700000000 ] - [ 0.0003116900000000, -0.0005031200000000, -0.0000236300000000 ] - [ -0.0001421800000000, 0.0000939200000000, -0.0000418000000000 ] - [ -0.0001892200000000, -0.0003700700000000, 0.0000224200000000 ] - [ -0.0000529800000000, -0.0000749500000000, 0.0000496400000000 ] - [ -0.0000454500000000, 0.0000839300000000, 0.0000436500000000 ] - [ -0.0001822300000000, 0.0003834700000000, 0.0000154600000000 ] - [ -0.0000744700000000, -0.0000430800000000, -0.0000420300000000 ] - [ 0.0003771800000000, 0.0005487700000000, -0.0000248600000000 ] - [ -0.0001969400000000, -0.0001315300000000, 0.0000333200000000 ] - [ 0.0000836300000000, 0.0004996700000000, 0.0004339100000000 ] - [ 0.0000235900000000, -0.0002842900000000, 0.0000819200000000 ] - [ 0.0000652700000000, 0.0006101400000000, -0.0005254000000000 ] - [ 0.0001093800000000, -0.0006307800000000, -0.0005449000000000 ] - [ 0.0000800500000000, 0.0002860500000000, 0.0000774700000000 ] - [ 0.0005255200000000, 0.0028365100000000, -0.0003690100000000 ] - [ 0.0005254000000000, -0.0021664900000000, -0.0003625500000000 ] - [ -0.0012738400000000, -0.0122394900000000, 0.0056968300000000 ] - [ 0.0002792300000000, -0.0123049700000000, -0.0051103500000000 ] - [ 0.0008066000000000, -0.0000132100000000, -0.0002711600000000 ] - [ 0.0002436200000000, -0.0000076000000000, -0.0004507300000000 ] - [ -0.0005277200000000, 0.0004645500000000, 0.0003585600000000 ] - [ -0.0005235100000000, -0.0004880300000000, 0.0003608900000000 ] - [ -0.0002640200000000, 0.0045593000000000, -0.0001997200000000 ] - [ -0.0002663700000000, -0.0023577100000000, -0.0002052200000000 ] - [ -0.0013012400000000, -0.0004046900000000, 0.0016736600000000 ] - [ 0.0018353400000000, -0.0003939000000000, -0.0012916600000000 ] - [ -0.0003037700000000, -0.0000116300000000, -0.0001960500000000 ] - [ -0.0002106000000000, -0.0000058200000000, -0.0001990800000000 ] - [ 0.0002559400000000, 0.0006471900000000, 0.0001972000000000 ] - [ 0.0002554000000000, -0.0006369300000000, 0.0001977600000000 ] - [ -0.0022430500000000, -0.0026638200000000, -0.0024637800000000 ] - [ 0.0029493900000000, -0.0026146000000000, 0.0031450600000000 ] - [ -0.0004489300000000, 0.0168315800000000, -0.0003067900000000 ] - [ -0.0003679400000000, -0.0055286600000000, -0.0003261000000000 ] - [ -0.0004767700000000, 0.0020730700000000, -0.0001438900000000 ] - [ -0.0004753300000000, -0.0017900400000000, -0.0001552500000000 ] - [ 0.0051042200000000, -0.0049471400000000, 0.0035395900000000 ] - [ -0.0041883900000000, -0.0049296000000000, -0.0032305200000000 ] - [ -0.0009872100000000, -0.0042999300000000, -0.0045509200000000 ] - [ 0.0007836400000000, -0.0042636400000000, 0.0034634200000000 ] - [ 0.0003273100000000, 0.0237091500000000, 0.0005710800000000 ] - [ 0.0001168200000000, -0.0082910900000000, 0.0005727600000000 ] - [ 0.0003934600000000, 0.0016998100000000, 0.0003192300000000 ] - [ 0.0003397800000000, -0.0015431300000000, 0.0003412500000000 ] - [ -0.0012943800000000, 0.0000072100000000, 0.0000543300000000 ] - [ 0.0006030600000000, 0.0000287400000000, -0.0007406600000000 ] - [ 0.0013685600000000, 0.0000353400000000, 0.0009610200000000 ] - [ -0.0023476700000000, 0.0000520600000000, -0.0012863900000000 ] - [ 0.0004416000000000, 0.0010542400000000, 0.0001644100000000 ] - [ 0.0005004800000000, -0.0008681900000000, 0.0001532100000000 ] - [ -0.0000902700000000, 0.0005718000000000, -0.0005412300000000 ] - [ -0.0000939300000000, -0.0006087300000000, -0.0005402200000000 ] - [ 0.0018077100000000, -0.0000174600000000, -0.0001882200000000 ] - [ -0.0016231000000000, 0.0000006400000000, 0.0012761600000000 ]- atom: 5 displacement: [ -0.0011848924261905, 0.0000000000000000, 0.0099295533604667 ] forces: - [ -0.0058668000000000, 0.0000000000000000, 0.0057248400000000 ] - [ -0.0011810800000000, 0.0000000000000000, 0.0002688300000000 ] - [ -0.0019272900000000, 0.0003916900000000, 0.0016775500000000 ] - [ -0.0019272900000000, -0.0003916900000000, 0.0016775500000000 ] - [ 0.0796142800000000, 0.0000000000000000, -0.0667683200000000 ] - [ 0.0022781700000000, 0.0000000000000000, -0.0007803000000000 ] - [ 0.0040620500000000, 0.0005108600000000, -0.0005363000000000 ] - [ 0.0040620500000000, -0.0005108600000000, -0.0005363000000000 ] - [ -0.0005526800000000, -0.0001152000000000, -0.0000592000000000 ] - [ -0.0005526800000000, 0.0001152000000000, -0.0000592000000000 ] - [ 0.0000092500000000, -0.0002888300000000, -0.0002062200000000 ] - [ -0.0000111100000000, -0.0005221300000000, -0.0002652700000000 ] - [ 0.0023145700000000, 0.0034646200000000, -0.0077631500000000 ] - [ 0.0009523600000000, -0.0001177000000000, -0.0004911800000000 ] - [ 0.0023145700000000, -0.0034646200000000, -0.0077631500000000 ] - [ 0.0009523600000000, 0.0001177000000000, -0.0004911800000000 ] - [ 0.0000092500000000, 0.0002888300000000, -0.0002062200000000 ] - [ -0.0000111100000000, 0.0005221300000000, -0.0002652700000000 ] - [ -0.0053429500000000, -0.0168192000000000, 0.0168567100000000 ] - [ -0.0000905300000000, 0.0018269800000000, -0.0010958900000000 ] - [ -0.0004180400000000, 0.0003399600000000, 0.0007178200000000 ] - [ -0.0002897600000000, 0.0001026800000000, 0.0000357500000000 ] - [ -0.0004180400000000, -0.0003399600000000, 0.0007178200000000 ] - [ -0.0002897600000000, -0.0001026800000000, 0.0000357500000000 ] - [ 0.0031490500000000, -0.0009214700000000, 0.0001128500000000 ] - [ 0.0031490500000000, 0.0009214700000000, 0.0001128500000000 ] - [ 0.0008781100000000, 0.0000000000000000, 0.0020050200000000 ] - [ 0.0006606000000000, 0.0000000000000000, 0.0008434700000000 ] - [ -0.0113778900000000, -0.0177334700000000, 0.0094588400000000 ] - [ -0.0000264500000000, 0.0022793500000000, -0.0000827700000000 ] - [ 0.0000696600000000, 0.0002938700000000, 0.0025677200000000 ] - [ 0.0005424200000000, 0.0006670000000000, 0.0012083500000000 ] - [ 0.0000696600000000, -0.0002938700000000, 0.0025677200000000 ] - [ 0.0005424200000000, -0.0006670000000000, 0.0012083500000000 ] - [ -0.0113778900000000, 0.0177334700000000, 0.0094588400000000 ] - [ -0.0000264500000000, -0.0022793500000000, -0.0000827700000000 ] - [ -0.0053429500000000, 0.0168192000000000, 0.0168567100000000 ] - [ -0.0000905300000000, -0.0018269800000000, -0.0010958900000000 ] - [ 0.0033672900000000, 0.0041876100000000, -0.0067253100000000 ] - [ -0.0001240300000000, 0.0004481400000000, -0.0011782400000000 ] - [ 0.0033672900000000, -0.0041876100000000, -0.0067253100000000 ] - [ -0.0001240300000000, -0.0004481400000000, -0.0011782400000000 ] - [ 0.0003370000000000, 0.0001401700000000, -0.0001615000000000 ] - [ 0.0003370000000000, -0.0001401700000000, -0.0001615000000000 ] - [ -0.0010763700000000, 0.0000000000000000, 0.0005373600000000 ] - [ -0.0005448600000000, 0.0000000000000000, 0.0001469400000000 ] - [ -0.0008525400000000, 0.0000251900000000, 0.0003441200000000 ] - [ -0.0008525400000000, -0.0000251900000000, 0.0003441200000000 ] - [ -0.0039185400000000, 0.0000000000000000, 0.0006768200000000 ] - [ -0.0010844300000000, 0.0000000000000000, -0.0003082800000000 ] - [ -0.0208334600000000, 0.0000000000000000, 0.0113662900000000 ] - [ 0.0002569300000000, 0.0000000000000000, -0.0003731100000000 ] - [ -0.0004223400000000, 0.0011071900000000, 0.0014998000000000 ] - [ -0.0004389800000000, -0.0005654400000000, -0.0001501400000000 ] - [ -0.0007436900000000, 0.0007798400000000, -0.0008028900000000 ] - [ -0.0002468800000000, -0.0000073300000000, -0.0002847100000000 ] - [ -0.0007436900000000, -0.0007798400000000, -0.0008028900000000 ] - [ -0.0002468800000000, 0.0000073300000000, -0.0002847100000000 ] - [ -0.0004223400000000, -0.0011071900000000, 0.0014998000000000 ] - [ -0.0004389800000000, 0.0005654400000000, -0.0001501400000000 ] - [ -0.0005661500000000, 0.0002932400000000, -0.0002583400000000 ] - [ -0.0004310400000000, 0.0001072900000000, -0.0001091900000000 ] - [ 0.0010557000000000, -0.0005262700000000, 0.0003914100000000 ] - [ 0.0005090500000000, 0.0000814300000000, 0.0005910400000000 ] - [ 0.0010557000000000, 0.0005262700000000, 0.0003914100000000 ] - [ 0.0005090500000000, -0.0000814300000000, 0.0005910400000000 ] - [ -0.0009424100000000, 0.0000000000000000, -0.0003366700000000 ] - [ -0.0006267400000000, 0.0000000000000000, -0.0003353900000000 ] - [ -0.0003949400000000, 0.0001704000000000, 0.0003200000000000 ] - [ -0.0003949400000000, -0.0001704000000000, 0.0003200000000000 ] - [ -0.0002453000000000, -0.0001121800000000, -0.0001563000000000 ] - [ -0.0001722900000000, -0.0000292300000000, -0.0001435100000000 ] - [ -0.0004913000000000, -0.0001967200000000, 0.0001495100000000 ] - [ -0.0004383700000000, -0.0004303800000000, 0.0000741900000000 ] - [ -0.0004913000000000, 0.0001967200000000, 0.0001495100000000 ] - [ -0.0004383700000000, 0.0004303800000000, 0.0000741900000000 ] - [ -0.0002453000000000, 0.0001121800000000, -0.0001563000000000 ] - [ -0.0001722900000000, 0.0000292300000000, -0.0001435100000000 ] - [ -0.0005661500000000, -0.0002932400000000, -0.0002583400000000 ] - [ -0.0004310400000000, -0.0001072900000000, -0.0001091900000000 ] - [ -0.0011376700000000, 0.0017393800000000, -0.0015407500000000 ] - [ -0.0001007900000000, 0.0000811300000000, -0.0003380600000000 ] - [ -0.0011376700000000, -0.0017393800000000, -0.0015407500000000 ] - [ -0.0001007900000000, -0.0000811300000000, -0.0003380600000000 ] - [ -0.0018835600000000, 0.0000000000000000, -0.0051442200000000 ] - [ -0.0008564900000000, 0.0000000000000000, -0.0009973900000000 ] - [ -0.0061994300000000, 0.0096801500000000, 0.0038849200000000 ] - [ -0.0061994300000000, -0.0096801500000000, 0.0038849200000000 ] - [ 0.0012768500000000, -0.0003549100000000, -0.0003501200000000 ] - [ 0.0012768500000000, 0.0003549100000000, -0.0003501200000000 ] - [ 0.0006095400000000, 0.0000000000000000, 0.0008108500000000 ] - [ 0.0001523400000000, 0.0000000000000000, 0.0005228400000000 ] - [ -0.0043912700000000, 0.0000000000000000, -0.0056809000000000 ] - [ -0.0012169100000000, 0.0000000000000000, -0.0011092900000000 ] - [ 0.0012245000000000, 0.0009175900000000, -0.0021344800000000 ] - [ 0.0012245000000000, -0.0009175900000000, -0.0021344800000000 ] - [ 0.0003447500000000, 0.0000794600000000, -0.0002553300000000 ] - [ 0.0003447500000000, -0.0000794600000000, -0.0002553300000000 ] - [ 0.0004226200000000, 0.0000000000000000, -0.0000802200000000 ] - [ 0.0004354300000000, 0.0000000000000000, 0.0001200400000000 ] - [ -0.0007954100000000, 0.0012988200000000, 0.0036987900000000 ] - [ -0.0007954100000000, -0.0012988200000000, 0.0036987900000000 ] - [ -0.0101603600000000, 0.0000000000000000, 0.0147398500000000 ] - [ -0.0017716800000000, 0.0000000000000000, 0.0030015900000000 ] - [ -0.0002220900000000, 0.0000000000000000, -0.0011223700000000 ] - [ -0.0002064700000000, 0.0000000000000000, -0.0003605300000000 ] - [ -0.0021852400000000, -0.0013085800000000, 0.0023793000000000 ] - [ -0.0021852400000000, 0.0013085800000000, 0.0023793000000000 ] - [ -0.0044084000000000, -0.0089677300000000, -0.0082810600000000 ] - [ -0.0044084000000000, 0.0089677300000000, -0.0082810600000000 ] - [ -0.0160161900000000, 0.0000000000000000, 0.0194138700000000 ] - [ 0.0004732300000000, 0.0000000000000000, 0.0028900600000000 ] - [ 0.0101442800000000, 0.0000000000000000, -0.0029691500000000 ] - [ 0.0009414700000000, 0.0000000000000000, 0.0006786700000000 ] - [ 0.0015099300000000, 0.0003658100000000, 0.0005802100000000 ] - [ 0.0015099300000000, -0.0003658100000000, 0.0005802100000000 ] - [ 0.0005194600000000, -0.0008464900000000, -0.0026756100000000 ] - [ 0.0005194600000000, 0.0008464900000000, -0.0026756100000000 ] - [ 0.0063309200000000, 0.0000000000000000, -0.0011213000000000 ] - [ 0.0019846800000000, 0.0000000000000000, 0.0002160200000000 ] - [ 0.0023710200000000, 0.0000000000000000, -0.0005883600000000 ] - [ 0.0010159200000000, 0.0000000000000000, -0.0002541300000000 ] - [ 0.0013027100000000, -0.0011246000000000, 0.0016799000000000 ] - [ 0.0013027100000000, 0.0011246000000000, 0.0016799000000000 ]- atom: 5 displacement: [ 0.0011848924261905, 0.0000000000000000, -0.0099295533604667 ] forces: - [ 0.0059199200000000, 0.0000000000000000, -0.0056825600000000 ] - [ 0.0009837000000000, 0.0000000000000000, -0.0000729900000000 ] - [ 0.0021456500000000, -0.0003953100000000, -0.0018851900000000 ] - [ 0.0021456500000000, 0.0003953100000000, -0.0018851900000000 ] - [ -0.0797971400000000, 0.0000000000000000, 0.0678118700000000 ] - [ -0.0015322500000000, 0.0000000000000000, 0.0014716400000000 ] - [ -0.0048676800000000, -0.0005064000000000, -0.0001326200000000 ] - [ -0.0048676800000000, 0.0005064000000000, -0.0001326200000000 ] - [ 0.0005625900000000, 0.0001221500000000, 0.0000609200000000 ] - [ 0.0005625900000000, -0.0001221500000000, 0.0000609200000000 ] - [ -0.0003924600000000, -0.0001448600000000, 0.0002293500000000 ] - [ -0.0003708300000000, 0.0000966800000000, 0.0002917700000000 ] - [ -0.0020091200000000, -0.0038576300000000, 0.0077341900000000 ] - [ -0.0005733400000000, -0.0003183000000000, 0.0004741400000000 ] - [ -0.0020091200000000, 0.0038576300000000, 0.0077341900000000 ] - [ -0.0005733400000000, 0.0003183000000000, 0.0004741400000000 ] - [ -0.0003924600000000, 0.0001448600000000, 0.0002293500000000 ] - [ -0.0003708300000000, -0.0000966800000000, 0.0002917700000000 ] - [ 0.0053138300000000, 0.0167096900000000, -0.0165971000000000 ] - [ -0.0000575500000000, -0.0021718400000000, 0.0015605700000000 ] - [ 0.0004186800000000, 0.0002472200000000, -0.0007331500000000 ] - [ 0.0002878000000000, 0.0004907900000000, -0.0000370800000000 ] - [ 0.0004186800000000, -0.0002472200000000, -0.0007331500000000 ] - [ 0.0002878000000000, -0.0004907900000000, -0.0000370800000000 ] - [ -0.0032683700000000, 0.0009125800000000, -0.0005055400000000 ] - [ -0.0032683700000000, -0.0009125800000000, -0.0005055400000000 ] - [ -0.0007794300000000, 0.0000000000000000, -0.0016364300000000 ] - [ -0.0005518800000000, 0.0000000000000000, -0.0004676700000000 ] - [ 0.0114501000000000, 0.0170970200000000, -0.0094687800000000 ] - [ 0.0002709400000000, -0.0027321500000000, 0.0000015800000000 ] - [ -0.0003297000000000, -0.0007545300000000, -0.0024895000000000 ] - [ -0.0007940500000000, -0.0011402200000000, -0.0011380200000000 ] - [ -0.0003297000000000, 0.0007545300000000, -0.0024895000000000 ] - [ -0.0007940500000000, 0.0011402200000000, -0.0011380200000000 ] - [ 0.0114501000000000, -0.0170970200000000, -0.0094687800000000 ] - [ 0.0002709400000000, 0.0027321500000000, 0.0000015800000000 ] - [ 0.0053138300000000, -0.0167096900000000, -0.0165971000000000 ] - [ -0.0000575500000000, 0.0021718400000000, 0.0015605700000000 ] - [ -0.0031670200000000, -0.0039223600000000, 0.0063424900000000 ] - [ 0.0002675100000000, -0.0001075300000000, 0.0007201400000000 ] - [ -0.0031670200000000, 0.0039223600000000, 0.0063424900000000 ] - [ 0.0002675100000000, 0.0001075300000000, 0.0007201400000000 ] - [ -0.0005279700000000, -0.0001377800000000, 0.0003521700000000 ] - [ -0.0005279700000000, 0.0001377800000000, 0.0003521700000000 ] - [ 0.0012746200000000, 0.0000000000000000, -0.0007365000000000 ] - [ 0.0007395900000000, 0.0000000000000000, -0.0003430000000000 ] - [ 0.0016193600000000, -0.0000235400000000, 0.0003445300000000 ] - [ 0.0016193600000000, 0.0000235400000000, 0.0003445300000000 ] - [ 0.0031719800000000, 0.0000000000000000, -0.0013685200000000 ] - [ 0.0003384800000000, 0.0000000000000000, -0.0003822400000000 ] - [ 0.0208621200000000, 0.0000000000000000, -0.0114421000000000 ] - [ -0.0002506000000000, 0.0000000000000000, 0.0003722600000000 ] - [ 0.0000494100000000, -0.0015393500000000, -0.0014789400000000 ] - [ 0.0000659000000000, 0.0001384000000000, 0.0001727300000000 ] - [ 0.0011343600000000, -0.0012287300000000, 0.0007949800000000 ] - [ 0.0006262600000000, -0.0004217600000000, 0.0002633100000000 ] - [ 0.0011343600000000, 0.0012287300000000, 0.0007949800000000 ] - [ 0.0006262600000000, 0.0004217600000000, 0.0002633100000000 ] - [ 0.0000494100000000, 0.0015393500000000, -0.0014789400000000 ] - [ 0.0000659000000000, -0.0001384000000000, 0.0001727300000000 ] - [ 0.0004221400000000, -0.0006266600000000, 0.0007157000000000 ] - [ 0.0002873800000000, -0.0004425000000000, 0.0005667400000000 ] - [ -0.0010456700000000, 0.0011089000000000, -0.0003976100000000 ] - [ -0.0005082900000000, 0.0005110200000000, -0.0006000300000000 ] - [ -0.0010456700000000, -0.0011089000000000, -0.0003976100000000 ] - [ -0.0005082900000000, -0.0005110200000000, -0.0006000300000000 ] - [ 0.0008486300000000, 0.0000000000000000, -0.0000421800000000 ] - [ 0.0005111900000000, 0.0000000000000000, -0.0000437800000000 ] - [ 0.0005202200000000, -0.0001712200000000, 0.0000575700000000 ] - [ 0.0005202200000000, 0.0001712200000000, 0.0000575700000000 ] - [ 0.0004966100000000, -0.0003560200000000, 0.0000794900000000 ] - [ 0.0004204100000000, -0.0004358400000000, 0.0000666500000000 ] - [ 0.0002495000000000, -0.0002667900000000, -0.0000733800000000 ] - [ 0.0001950700000000, -0.0000342800000000, 0.0000034400000000 ] - [ 0.0002495000000000, 0.0002667900000000, -0.0000733800000000 ] - [ 0.0001950700000000, 0.0000342800000000, 0.0000034400000000 ] - [ 0.0004966100000000, 0.0003560200000000, 0.0000794900000000 ] - [ 0.0004204100000000, 0.0004358400000000, 0.0000666500000000 ] - [ 0.0004221400000000, 0.0006266600000000, 0.0007157000000000 ] - [ 0.0002873800000000, 0.0004425000000000, 0.0005667400000000 ] - [ 0.0012910200000000, -0.0014145200000000, 0.0010931000000000 ] - [ 0.0002529300000000, 0.0002454300000000, -0.0001116300000000 ] - [ 0.0012910200000000, 0.0014145200000000, 0.0010931000000000 ] - [ 0.0002529300000000, -0.0002454300000000, -0.0001116300000000 ] - [ 0.0029813700000000, 0.0000000000000000, 0.0044218600000000 ] - [ 0.0019329500000000, 0.0000000000000000, 0.0002701700000000 ] - [ 0.0051475400000000, -0.0096861400000000, -0.0031229400000000 ] - [ 0.0051475400000000, 0.0096861400000000, -0.0031229400000000 ] - [ -0.0002245500000000, 0.0003545900000000, -0.0003794300000000 ] - [ -0.0002245500000000, -0.0003545900000000, -0.0003794300000000 ] - [ -0.0016844800000000, 0.0000000000000000, -0.0000919700000000 ] - [ -0.0012181800000000, 0.0000000000000000, 0.0002025400000000 ] - [ 0.0038828100000000, 0.0000000000000000, 0.0054181000000000 ] - [ 0.0006867900000000, 0.0000000000000000, 0.0007303500000000 ] - [ -0.0006808100000000, -0.0009198000000000, 0.0025188900000000 ] - [ -0.0006808100000000, 0.0009198000000000, 0.0025188900000000 ] - [ -0.0008807500000000, -0.0000831600000000, -0.0001251300000000 ] - [ -0.0008807500000000, 0.0000831600000000, -0.0001251300000000 ] - [ 0.0001005200000000, 0.0000000000000000, 0.0004636700000000 ] - [ 0.0000911400000000, 0.0000000000000000, 0.0002620400000000 ] - [ 0.0015284700000000, -0.0013563000000000, -0.0030747100000000 ] - [ 0.0015284700000000, 0.0013563000000000, -0.0030747100000000 ] - [ 0.0103650200000000, 0.0000000000000000, -0.0154371000000000 ] - [ 0.0010462800000000, 0.0000000000000000, -0.0037063000000000 ] - [ -0.0007170200000000, 0.0000000000000000, 0.0007999200000000 ] - [ -0.0007384400000000, 0.0000000000000000, 0.0000262800000000 ] - [ 0.0031358300000000, 0.0012936800000000, -0.0020213900000000 ] - [ 0.0031358300000000, -0.0012936800000000, -0.0020213900000000 ] - [ 0.0042226300000000, 0.0090311900000000, 0.0072150100000000 ] - [ 0.0042226300000000, -0.0090311900000000, 0.0072150100000000 ] - [ 0.0161274400000000, 0.0000000000000000, -0.0184370300000000 ] - [ -0.0002391200000000, 0.0000000000000000, -0.0017796500000000 ] - [ -0.0094518200000000, 0.0000000000000000, 0.0036471100000000 ] - [ -0.0002332800000000, 0.0000000000000000, -0.0000036800000000 ] - [ -0.0022537200000000, -0.0003793700000000, -0.0012719900000000 ] - [ -0.0022537200000000, 0.0003793700000000, -0.0012719900000000 ] - [ -0.0014969400000000, 0.0008565100000000, 0.0023476200000000 ] - [ -0.0014969400000000, -0.0008565100000000, 0.0023476200000000 ] - [ -0.0054646900000000, 0.0000000000000000, 0.0014740800000000 ] - [ -0.0010309000000000, 0.0000000000000000, 0.0001181500000000 ] - [ -0.0026080500000000, 0.0000000000000000, -0.0005167500000000 ] - [ -0.0012458400000000, 0.0000000000000000, -0.0008530100000000 ] - [ -0.0010940300000000, 0.0011241500000000, -0.0005861800000000 ] - [ -0.0010940300000000, -0.0011241500000000, -0.0005861800000000 ]- atom: 9 displacement: [ 0.0099999983100469, 0.0000000000000000, 0.0000058136957938 ] forces: - [ -0.0141262700000000, -0.0003031000000000, 0.0049608900000000 ] - [ -0.0141262700000000, 0.0003031000000000, 0.0049608900000000 ] - [ 0.0108355000000000, 0.0000000000000000, -0.0056001000000000 ] - [ 0.0053333200000000, 0.0000000000000000, -0.0015832200000000 ] - [ 0.0068011600000000, 0.0015303300000000, 0.0005556800000000 ] - [ 0.0068011600000000, -0.0015303300000000, 0.0005556800000000 ] - [ 0.0483594400000000, 0.0000000000000000, -0.0156529700000000 ] - [ -0.0004594200000000, 0.0000000000000000, -0.0001019600000000 ] - [ -0.2867208100000000, 0.0000000000000000, 0.1070655600000000 ] - [ -0.0086364500000000, 0.0000000000000000, 0.0031178100000000 ] - [ -0.0020835100000000, 0.0004602900000000, -0.0009365900000000 ] - [ -0.0056458600000000, -0.0263528900000000, -0.0267878000000000 ] - [ 0.0028777900000000, -0.0019185000000000, 0.0018169500000000 ] - [ 0.0025984400000000, -0.0021480600000000, 0.0017079900000000 ] - [ 0.0025984400000000, 0.0021480600000000, 0.0017079900000000 ] - [ 0.0028777900000000, 0.0019185000000000, 0.0018169500000000 ] - [ -0.0056458600000000, 0.0263528900000000, -0.0267878000000000 ] - [ -0.0020835100000000, -0.0004602900000000, -0.0009365900000000 ] - [ 0.0013222800000000, -0.0002086900000000, 0.0008271000000000 ] - [ 0.0035376700000000, -0.0045781700000000, 0.0036495700000000 ] - [ -0.0027458800000000, 0.0002959700000000, -0.0072158400000000 ] - [ -0.0038129300000000, 0.0002992300000000, -0.0068785000000000 ] - [ -0.0038129300000000, -0.0002992300000000, -0.0068785000000000 ] - [ -0.0027458800000000, -0.0002959700000000, -0.0072158400000000 ] - [ 0.0037310200000000, 0.0000000000000000, 0.0011826600000000 ] - [ 0.0023067900000000, 0.0000000000000000, 0.0004590600000000 ] - [ -0.0005636600000000, 0.0025754600000000, -0.0020826600000000 ] - [ -0.0005636600000000, -0.0025754600000000, -0.0020826600000000 ] - [ 0.0010643600000000, -0.0001089800000000, 0.0014724300000000 ] - [ 0.0005486600000000, -0.0017895500000000, 0.0012817600000000 ] - [ 0.0013074000000000, 0.0015942900000000, -0.0004607600000000 ] - [ 0.0015960900000000, -0.0024571500000000, -0.0016554600000000 ] - [ 0.0015960900000000, 0.0024571500000000, -0.0016554600000000 ] - [ 0.0013074000000000, -0.0015942900000000, -0.0004607600000000 ] - [ 0.0005486600000000, 0.0017895500000000, 0.0012817600000000 ] - [ 0.0010643600000000, 0.0001089800000000, 0.0014724300000000 ] - [ 0.0035376700000000, 0.0045781700000000, 0.0036495700000000 ] - [ 0.0013222800000000, 0.0002086900000000, 0.0008271000000000 ] - [ -0.0015888000000000, 0.0042439000000000, -0.0021393500000000 ] - [ 0.0194943700000000, -0.0277804900000000, 0.0197066200000000 ] - [ 0.0194943700000000, 0.0277804900000000, 0.0197066200000000 ] - [ -0.0015888000000000, -0.0042439000000000, -0.0021393500000000 ] - [ 0.0106128300000000, 0.0000000000000000, -0.0053875500000000 ] - [ 0.0051417700000000, 0.0000000000000000, -0.0013983800000000 ] - [ -0.0139240800000000, 0.0002789200000000, 0.0047948600000000 ] - [ -0.0139240800000000, -0.0002789200000000, 0.0047948600000000 ] - [ 0.0485690700000000, 0.0000000000000000, -0.0147603800000000 ] - [ 0.0003112700000000, 0.0000000000000000, 0.0005954200000000 ] - [ 0.0060548800000000, -0.0015324200000000, -0.0001454500000000 ] - [ 0.0060548800000000, 0.0015324200000000, -0.0001454500000000 ] - [ 0.0081894800000000, 0.0000012500000000, -0.0026310200000000 ] - [ 0.0081894800000000, -0.0000012500000000, -0.0026310200000000 ] - [ 0.0024966400000000, 0.0014931600000000, 0.0018374900000000 ] - [ 0.0022133800000000, 0.0017154300000000, 0.0017242200000000 ] - [ -0.0016914600000000, -0.0008951700000000, -0.0009596800000000 ] - [ -0.0050402300000000, 0.0258199800000000, -0.0267582400000000 ] - [ -0.0050402300000000, -0.0258199800000000, -0.0267582400000000 ] - [ -0.0016914600000000, 0.0008951700000000, -0.0009596800000000 ] - [ 0.0022133800000000, -0.0017154300000000, 0.0017242200000000 ] - [ 0.0024966400000000, -0.0014931600000000, 0.0018374900000000 ] - [ 0.0193076400000000, -0.0279208300000000, 0.0200096500000000 ] - [ -0.0017173000000000, 0.0039122000000000, -0.0016809900000000 ] - [ 0.0021805700000000, 0.0002950100000000, 0.0006345500000000 ] - [ 0.0017941900000000, 0.0002937200000000, 0.0014734800000000 ] - [ 0.0017941900000000, -0.0002937200000000, 0.0014734800000000 ] - [ 0.0021805700000000, -0.0002950100000000, 0.0006345500000000 ] - [ -0.0006588000000000, -0.0025818600000000, -0.0024461200000000 ] - [ -0.0006588000000000, 0.0025818600000000, -0.0024461200000000 ] - [ 0.0038552200000000, 0.0000000000000000, 0.0015493500000000 ] - [ 0.0024239000000000, 0.0000000000000000, 0.0008241800000000 ] - [ 0.0015450600000000, -0.0020484300000000, -0.0005246100000000 ] - [ 0.0018322300000000, 0.0019792600000000, -0.0017083500000000 ] - [ 0.0008410600000000, -0.0003496300000000, 0.0015381700000000 ] - [ 0.0003184600000000, 0.0013318500000000, 0.0013456900000000 ] - [ 0.0003184600000000, -0.0013318500000000, 0.0013456900000000 ] - [ 0.0008410600000000, 0.0003496300000000, 0.0015381700000000 ] - [ 0.0018322300000000, -0.0019792600000000, -0.0017083500000000 ] - [ 0.0015450600000000, 0.0020484300000000, -0.0005246100000000 ] - [ -0.0017173000000000, -0.0039122000000000, -0.0016809900000000 ] - [ 0.0193076400000000, 0.0279208300000000, 0.0200096500000000 ] - [ 0.0036661800000000, -0.0042197600000000, 0.0031780100000000 ] - [ 0.0014679100000000, 0.0001138700000000, 0.0003802600000000 ] - [ 0.0014679100000000, -0.0001138700000000, 0.0003802600000000 ] - [ 0.0036661800000000, 0.0042197600000000, 0.0031780100000000 ] - [ -0.0018658300000000, -0.0056284100000000, 0.0014107600000000 ] - [ -0.0018658300000000, 0.0056284100000000, 0.0014107600000000 ] - [ -0.0059504700000000, 0.0000000000000000, -0.0041639800000000 ] - [ -0.0029717000000000, 0.0000000000000000, -0.0004395500000000 ] - [ -0.0049258900000000, 0.0000000000000000, -0.0048808100000000 ] - [ -0.0019311000000000, 0.0000000000000000, -0.0011612000000000 ] - [ -0.0029421000000000, 0.0056017300000000, 0.0021164500000000 ] - [ -0.0029421000000000, -0.0056017300000000, 0.0021164500000000 ] - [ -0.0029352200000000, -0.0004779800000000, -0.0002000700000000 ] - [ -0.0029352200000000, 0.0004779800000000, -0.0002000700000000 ] - [ 0.0020457700000000, 0.0000000000000000, 0.0045157800000000 ] - [ 0.0023932100000000, 0.0000000000000000, 0.0006893700000000 ] - [ 0.0015059700000000, 0.0000000000000000, 0.0040983100000000 ] - [ 0.0018697900000000, 0.0000000000000000, 0.0002915800000000 ] - [ -0.0024238300000000, 0.0004764300000000, 0.0001936100000000 ] - [ -0.0024238300000000, -0.0004764300000000, 0.0001936100000000 ] - [ 0.0759621300000000, 0.0000000000000000, -0.0247192000000000 ] - [ 0.0085978600000000, 0.0000000000000000, 0.0013540700000000 ] - [ -0.0118529300000000, -0.0026177600000000, -0.0021870500000000 ] - [ -0.0118529300000000, 0.0026177600000000, -0.0021870500000000 ] - [ 0.0179582100000000, -0.0149639100000000, 0.0150951800000000 ] - [ 0.0179582100000000, 0.0149639100000000, 0.0150951800000000 ] - [ -0.0106578700000000, 0.0000000000000000, -0.0005269200000000 ] - [ -0.0066651900000000, 0.0000000000000000, -0.0021014400000000 ] - [ -0.0225719600000000, 0.0000000000000000, 0.0036378400000000 ] - [ -0.0046397000000000, 0.0000000000000000, -0.0012976600000000 ] - [ 0.0018459500000000, -0.0178727700000000, -0.0150914400000000 ] - [ 0.0018459500000000, 0.0178727700000000, -0.0150914400000000 ] - [ -0.0111592200000000, 0.0025963800000000, -0.0014904300000000 ] - [ -0.0111592200000000, -0.0025963800000000, -0.0014904300000000 ] - [ 0.0672980800000000, 0.0000000000000000, -0.0214914800000000 ] - [ 0.0078738800000000, 0.0000000000000000, 0.0006696400000000 ] - [ -0.0116406300000000, 0.0000000000000000, -0.0008232100000000 ] - [ -0.0076277400000000, 0.0000000000000000, -0.0024011800000000 ] - [ 0.0188874900000000, 0.0149998300000000, 0.0154360700000000 ] - [ 0.0188874900000000, -0.0149998300000000, 0.0154360700000000 ] - [ 0.0015955900000000, 0.0178900400000000, -0.0161749400000000 ] - [ 0.0015955900000000, -0.0178900400000000, -0.0161749400000000 ] - [ -0.0222954400000000, 0.0000000000000000, 0.0046780500000000 ] - [ -0.0044629300000000, 0.0000000000000000, -0.0002216800000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000910200000000, 0.0002986600000000, 0.0006200000000000 ] - [ -0.0002831700000000, 0.0003064800000000, -0.0004409800000000 ] - [ 0.0000830100000000, -0.0000391600000000, -0.0000809400000000 ] - [ 0.0000973300000000, 0.0001317100000000, -0.0000925300000000 ] - [ 0.0023322400000000, 0.0003282800000000, 0.0004609400000000 ] - [ -0.0015579000000000, 0.0003281000000000, 0.0002358900000000 ] - [ -0.0005097500000000, 0.0017631600000000, -0.0003078800000000 ] - [ -0.0003709000000000, 0.0004796900000000, -0.0003516300000000 ] - [ 0.0000000000000000, -0.0399592700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0006956900000000, 0.0000000000000000 ] - [ 0.0003669100000000, 0.0014964500000000, 0.0008469800000000 ] - [ -0.0051110700000000, 0.0014953000000000, 0.0070062800000000 ] - [ 0.0003548600000000, -0.0004823700000000, 0.0001722700000000 ] - [ -0.0000436000000000, 0.0001235500000000, -0.0002170000000000 ] - [ 0.0004308500000000, 0.0005470900000000, 0.0001931000000000 ] - [ 0.0000347800000000, -0.0000519900000000, -0.0001928200000000 ] - [ 0.0047728200000000, 0.0019173000000000, -0.0070531700000000 ] - [ -0.0007481300000000, 0.0019199500000000, -0.0008248500000000 ] - [ -0.0000483300000000, 0.0001996000000000, 0.0000317600000000 ] - [ -0.0000858000000000, -0.0006488600000000, 0.0005200100000000 ] - [ 0.0000000000000000, 0.0012263400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000327200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0005529200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0006373600000000, 0.0000000000000000 ] - [ -0.0000529600000000, -0.0001661600000000, -0.0001807800000000 ] - [ -0.0000552800000000, 0.0001905500000000, -0.0001817200000000 ] - [ 0.0010029000000000, 0.0006438600000000, -0.0001190400000000 ] - [ -0.0008768900000000, 0.0006408600000000, 0.0004864600000000 ] - [ 0.0006230000000000, -0.0009018600000000, 0.0003636400000000 ] - [ -0.0003034500000000, 0.0005562500000000, -0.0002570000000000 ] - [ 0.0001234100000000, 0.0001954400000000, 0.0000332600000000 ] - [ -0.0004427300000000, -0.0004233000000000, 0.0001458600000000 ] - [ 0.0002059000000000, 0.0000180700000000, -0.0000680300000000 ] - [ -0.0003582500000000, 0.0006555800000000, 0.0000362600000000 ] - [ 0.0005424000000000, 0.0010142500000000, 0.0001895400000000 ] - [ -0.0003837400000000, -0.0004427300000000, -0.0004291400000000 ] - [ -0.0000610700000000, -0.0003401400000000, -0.0000838400000000 ] - [ -0.0000901900000000, 0.0005319900000000, 0.0004202600000000 ] - [ -0.0000203200000000, 0.0017698600000000, -0.0009710600000000 ] - [ -0.0089233600000000, 0.0036859300000000, -0.0034000000000000 ] - [ 0.0091518000000000, 0.0033578100000000, 0.0029699700000000 ] - [ 0.0001643500000000, 0.0014395500000000, 0.0005191400000000 ] - [ -0.0000830100000000, -0.0000391600000000, 0.0000809400000000 ] - [ -0.0000973300000000, 0.0001317100000000, 0.0000925300000000 ] - [ -0.0000910200000000, 0.0002986600000000, -0.0006200000000000 ] - [ 0.0002831700000000, 0.0003064800000000, 0.0004409800000000 ] - [ 0.0005097500000000, 0.0017631600000000, 0.0003078800000000 ] - [ 0.0003709000000000, 0.0004796900000000, 0.0003516300000000 ] - [ -0.0023322400000000, 0.0003282800000000, -0.0004609400000000 ] - [ 0.0015579000000000, 0.0003281000000000, -0.0002358900000000 ] - [ 0.0000000000000000, -0.0000182000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000145700000000, 0.0000000000000000 ] - [ -0.0003548600000000, -0.0004823700000000, -0.0001722700000000 ] - [ 0.0000436000000000, 0.0001235500000000, 0.0002170000000000 ] - [ -0.0003669100000000, 0.0014964500000000, -0.0008469800000000 ] - [ 0.0051110700000000, 0.0014953000000000, -0.0070062800000000 ] - [ -0.0047728200000000, 0.0019173000000000, 0.0070531700000000 ] - [ 0.0007481300000000, 0.0019199500000000, 0.0008248500000000 ] - [ -0.0004308500000000, 0.0005470900000000, -0.0001931000000000 ] - [ -0.0000347800000000, -0.0000519900000000, 0.0001928200000000 ] - [ -0.0091518000000000, 0.0033578100000000, -0.0029699700000000 ] - [ -0.0001643500000000, 0.0014395500000000, -0.0005191400000000 ] - [ 0.0000000000000000, 0.0001579600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004375700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001494200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004261300000000, 0.0000000000000000 ] - [ -0.0010029000000000, 0.0006438600000000, 0.0001190400000000 ] - [ 0.0008768900000000, 0.0006408600000000, -0.0004864600000000 ] - [ 0.0000529600000000, -0.0001661600000000, 0.0001807800000000 ] - [ 0.0000552800000000, 0.0001905500000000, 0.0001817200000000 ] - [ -0.0001234100000000, 0.0001954400000000, -0.0000332600000000 ] - [ 0.0004427300000000, -0.0004233000000000, -0.0001458600000000 ] - [ -0.0006230000000000, -0.0009018600000000, -0.0003636400000000 ] - [ 0.0003034500000000, 0.0005562500000000, 0.0002570000000000 ] - [ -0.0005424000000000, 0.0010142500000000, -0.0001895400000000 ] - [ 0.0003837400000000, -0.0004427300000000, 0.0004291400000000 ] - [ -0.0002059000000000, 0.0000180700000000, 0.0000680300000000 ] - [ 0.0003582500000000, 0.0006555800000000, -0.0000362600000000 ] - [ 0.0000203200000000, 0.0017698600000000, 0.0009710600000000 ] - [ 0.0089233600000000, 0.0036859300000000, 0.0034000000000000 ] - [ 0.0000610700000000, -0.0003401400000000, 0.0000838400000000 ] - [ 0.0000901900000000, 0.0005319900000000, -0.0004202600000000 ] - [ 0.0000483300000000, 0.0001996000000000, -0.0000317600000000 ] - [ 0.0000858000000000, -0.0006488600000000, -0.0005200100000000 ] - [ -0.0006319100000000, -0.0003680600000000, -0.0004472900000000 ] - [ 0.0016703700000000, -0.0003875300000000, -0.0002804700000000 ] - [ -0.0005319600000000, 0.0017887400000000, 0.0003580100000000 ] - [ -0.0005285300000000, -0.0012528200000000, 0.0003592400000000 ] - [ 0.0005319600000000, 0.0017887400000000, -0.0003580100000000 ] - [ 0.0005285300000000, -0.0012528200000000, -0.0003592400000000 ] - [ 0.0006319100000000, -0.0003680600000000, 0.0004472900000000 ] - [ -0.0016703700000000, -0.0003875300000000, 0.0002804700000000 ] - [ -0.0004640000000000, -0.0000070000000000, -0.0002545200000000 ] - [ -0.0000544000000000, -0.0000094500000000, -0.0001452400000000 ] - [ 0.0002525900000000, 0.0014345300000000, 0.0001937800000000 ] - [ 0.0002558200000000, -0.0009872700000000, 0.0001976900000000 ] - [ -0.0002525900000000, 0.0014345300000000, -0.0001937800000000 ] - [ -0.0002558200000000, -0.0009872700000000, -0.0001976900000000 ] - [ 0.0004640000000000, -0.0000070000000000, 0.0002545200000000 ] - [ 0.0000544000000000, -0.0000094500000000, 0.0001452400000000 ] - [ -0.0001511200000000, 0.0154677100000000, 0.0005678600000000 ] - [ 0.0003413300000000, -0.0039091800000000, 0.0003417400000000 ] - [ -0.0013489400000000, 0.0000197000000000, 0.0000120500000000 ] - [ 0.0006435000000000, 0.0000020300000000, -0.0006776900000000 ] - [ -0.0001314100000000, -0.0036949400000000, 0.0022930600000000 ] - [ -0.0008262000000000, -0.0036796300000000, -0.0025882600000000 ] - [ 0.0004714400000000, 0.0004370700000000, 0.0001539500000000 ] - [ 0.0004804700000000, -0.0005243200000000, 0.0001526000000000 ] - [ -0.0000572700000000, 0.0014069700000000, -0.0005499400000000 ] - [ -0.0000993600000000, -0.0009693300000000, -0.0005397100000000 ] - [ -0.0025948800000000, -0.0041753100000000, -0.0026652000000000 ] - [ 0.0027663900000000, -0.0041642500000000, 0.0037341800000000 ] - [ 0.0013489400000000, 0.0000197000000000, -0.0000120500000000 ] - [ -0.0006435000000000, 0.0000020300000000, 0.0006776900000000 ] - [ 0.0001511200000000, 0.0154677100000000, -0.0005678600000000 ] - [ -0.0003413300000000, -0.0039091800000000, -0.0003417400000000 ] - [ -0.0004714400000000, 0.0004370700000000, -0.0001539500000000 ] - [ -0.0004804700000000, -0.0005243200000000, -0.0001526000000000 ] - [ 0.0001314100000000, -0.0036949400000000, -0.0022930600000000 ] - [ 0.0008262000000000, -0.0036796300000000, 0.0025882600000000 ] - [ 0.0025948800000000, -0.0041753100000000, 0.0026652000000000 ] - [ -0.0027663900000000, -0.0041642500000000, -0.0037341800000000 ] - [ 0.0000572700000000, 0.0014069700000000, 0.0005499400000000 ] - [ 0.0000993600000000, -0.0009693300000000, 0.0005397100000000 ]- atom: 9 displacement: [ -0.0011848924261905, 0.0000000000000000, 0.0099295533604667 ] forces: - [ 0.0068397500000000, 0.0007636700000000, -0.0017457100000000 ] - [ 0.0068397500000000, -0.0007636700000000, -0.0017457100000000 ] - [ -0.0053802500000000, 0.0000000000000000, 0.0027700200000000 ] - [ -0.0024165000000000, 0.0000000000000000, 0.0006156600000000 ] - [ -0.0010436900000000, -0.0004978300000000, 0.0001862100000000 ] - [ -0.0010436900000000, 0.0004978300000000, 0.0001862100000000 ] - [ -0.0281662200000000, 0.0000000000000000, 0.0101987700000000 ] - [ -0.0003576300000000, 0.0000000000000000, -0.0007503800000000 ] - [ 0.1402742000000000, 0.0000000000000000, -0.0985492900000000 ] - [ 0.0041207200000000, 0.0000000000000000, -0.0019229900000000 ] - [ 0.0003891200000000, -0.0016230300000000, -0.0002705000000000 ] - [ -0.0036359800000000, 0.0198685500000000, 0.0199516300000000 ] - [ -0.0009620300000000, 0.0006473800000000, -0.0009612200000000 ] - [ -0.0007785200000000, 0.0006636000000000, -0.0008501500000000 ] - [ -0.0007785200000000, -0.0006636000000000, -0.0008501500000000 ] - [ -0.0009620300000000, -0.0006473800000000, -0.0009612200000000 ] - [ -0.0036359800000000, -0.0198685500000000, 0.0199516300000000 ] - [ 0.0003891200000000, 0.0016230300000000, -0.0002705000000000 ] - [ -0.0007972200000000, 0.0000140900000000, -0.0003851000000000 ] - [ -0.0020653300000000, 0.0026278900000000, -0.0021112100000000 ] - [ 0.0016063400000000, 0.0002972900000000, 0.0058201000000000 ] - [ 0.0021268200000000, 0.0002939500000000, 0.0056431300000000 ] - [ 0.0021268200000000, -0.0002939500000000, 0.0056431300000000 ] - [ 0.0016063400000000, -0.0002972900000000, 0.0058201000000000 ] - [ -0.0014903100000000, 0.0000000000000000, -0.0005378700000000 ] - [ -0.0009461600000000, 0.0000000000000000, -0.0003161900000000 ] - [ -0.0005947100000000, -0.0021717600000000, 0.0021200700000000 ] - [ -0.0005947100000000, 0.0021717600000000, 0.0021200700000000 ] - [ 0.0000216500000000, -0.0003599100000000, -0.0003661600000000 ] - [ 0.0001140300000000, 0.0002168800000000, -0.0004225800000000 ] - [ -0.0010551200000000, -0.0014339600000000, 0.0003346100000000 ] - [ -0.0013305300000000, 0.0011183800000000, 0.0011175200000000 ] - [ -0.0013305300000000, -0.0011183800000000, 0.0011175200000000 ] - [ -0.0010551200000000, 0.0014339600000000, 0.0003346100000000 ] - [ 0.0001140300000000, -0.0002168800000000, -0.0004225800000000 ] - [ 0.0000216500000000, 0.0003599100000000, -0.0003661600000000 ] - [ -0.0020653300000000, -0.0026278900000000, -0.0021112100000000 ] - [ -0.0007972200000000, -0.0000140900000000, -0.0003851000000000 ] - [ 0.0005321000000000, -0.0006464800000000, -0.0002953300000000 ] - [ -0.0019898900000000, 0.0083143900000000, -0.0108051100000000 ] - [ -0.0019898900000000, -0.0083143900000000, -0.0108051100000000 ] - [ 0.0005321000000000, 0.0006464800000000, -0.0002953300000000 ] - [ -0.0055663400000000, 0.0000000000000000, 0.0029476000000000 ] - [ -0.0026153000000000, 0.0000000000000000, 0.0008017500000000 ] - [ 0.0069934100000000, -0.0007730000000000, -0.0019021100000000 ] - [ 0.0069934100000000, 0.0007730000000000, -0.0019021100000000 ] - [ -0.0273990000000000, 0.0000000000000000, 0.0109540300000000 ] - [ 0.0003906100000000, 0.0000000000000000, -0.0000519400000000 ] - [ -0.0017906500000000, 0.0004935900000000, -0.0005119000000000 ] - [ -0.0017906500000000, -0.0004935900000000, -0.0005119000000000 ] - [ -0.0035837600000000, -0.0000004800000000, 0.0009669900000000 ] - [ -0.0035837600000000, 0.0000004800000000, 0.0009669900000000 ] - [ -0.0013471800000000, -0.0010758000000000, -0.0009404700000000 ] - [ -0.0011620500000000, -0.0010885000000000, -0.0008279900000000 ] - [ 0.0007706200000000, 0.0012076100000000, -0.0003051800000000 ] - [ -0.0033217500000000, -0.0204835500000000, 0.0200791100000000 ] - [ -0.0033217500000000, 0.0204835500000000, 0.0200791100000000 ] - [ 0.0007706200000000, -0.0012076100000000, -0.0003051800000000 ] - [ -0.0011620500000000, 0.0010885000000000, -0.0008279900000000 ] - [ -0.0013471800000000, 0.0010758000000000, -0.0009404700000000 ] - [ -0.0020454900000000, 0.0079503500000000, -0.0103489700000000 ] - [ 0.0003881500000000, -0.0009656700000000, 0.0001494900000000 ] - [ -0.0009437800000000, 0.0002928900000000, -0.0000472100000000 ] - [ -0.0007585000000000, 0.0002934100000000, -0.0005117900000000 ] - [ -0.0007585000000000, -0.0002934100000000, -0.0005117900000000 ] - [ -0.0009437800000000, -0.0002928900000000, -0.0000472100000000 ] - [ -0.0007268000000000, 0.0021850800000000, 0.0017661400000000 ] - [ -0.0007268000000000, -0.0021850800000000, 0.0017661400000000 ] - [ -0.0013773300000000, 0.0000000000000000, -0.0001732200000000 ] - [ -0.0008335500000000, 0.0000000000000000, 0.0000481800000000 ] - [ -0.0008240400000000, 0.0009792900000000, 0.0002678200000000 ] - [ -0.0010991700000000, -0.0015699000000000, 0.0010482500000000 ] - [ -0.0002149800000000, -0.0000982600000000, -0.0002942700000000 ] - [ -0.0001228800000000, -0.0006729000000000, -0.0003530800000000 ] - [ -0.0001228800000000, 0.0006729000000000, -0.0003530800000000 ] - [ -0.0002149800000000, 0.0000982600000000, -0.0002942700000000 ] - [ -0.0010991700000000, 0.0015699000000000, 0.0010482500000000 ] - [ -0.0008240400000000, -0.0009792900000000, 0.0002678200000000 ] - [ 0.0003881500000000, 0.0009656700000000, 0.0001494900000000 ] - [ -0.0020454900000000, -0.0079503500000000, -0.0103489700000000 ] - [ -0.0019241300000000, 0.0029555400000000, -0.0025625700000000 ] - [ -0.0006578300000000, 0.0003457300000000, -0.0008391600000000 ] - [ -0.0006578300000000, -0.0003457300000000, -0.0008391600000000 ] - [ -0.0019241300000000, -0.0029555400000000, -0.0025625700000000 ] - [ 0.0028801400000000, 0.0035726200000000, -0.0008011200000000 ] - [ 0.0028801400000000, -0.0035726200000000, -0.0008011200000000 ] - [ 0.0008859500000000, 0.0000000000000000, 0.0020279300000000 ] - [ 0.0003352600000000, 0.0000000000000000, 0.0006190400000000 ] - [ 0.0019322500000000, 0.0000000000000000, 0.0013007600000000 ] - [ 0.0013871400000000, 0.0000000000000000, -0.0001021500000000 ] - [ 0.0018507800000000, -0.0035733000000000, -0.0000740900000000 ] - [ 0.0018507800000000, 0.0035733000000000, -0.0000740900000000 ] - [ 0.0009905200000000, 0.0002074200000000, -0.0005748200000000 ] - [ 0.0009905200000000, -0.0002074200000000, -0.0005748200000000 ] - [ -0.0002972100000000, 0.0000000000000000, -0.0040121700000000 ] - [ -0.0007633100000000, 0.0000000000000000, -0.0005456400000000 ] - [ -0.0008025700000000, 0.0000000000000000, -0.0044128800000000 ] - [ -0.0012741500000000, 0.0000000000000000, -0.0009437500000000 ] - [ 0.0015079800000000, -0.0002061000000000, -0.0001804500000000 ] - [ 0.0015079800000000, 0.0002061000000000, -0.0001804500000000 ] - [ -0.0299482200000000, 0.0000000000000000, 0.0274758400000000 ] - [ -0.0027861000000000, 0.0000000000000000, 0.0026141700000000 ] - [ 0.0043104700000000, 0.0014381100000000, 0.0016432800000000 ] - [ 0.0043104700000000, -0.0014381100000000, 0.0016432800000000 ] - [ -0.0108523300000000, 0.0126277500000000, -0.0128967500000000 ] - [ -0.0108523300000000, -0.0126277500000000, -0.0128967500000000 ] - [ 0.0056850600000000, 0.0000000000000000, 0.0001811800000000 ] - [ 0.0036401400000000, 0.0000000000000000, 0.0009450900000000 ] - [ 0.0134068700000000, 0.0000000000000000, -0.0017741800000000 ] - [ 0.0022494100000000, 0.0000000000000000, 0.0003780200000000 ] - [ -0.0025836500000000, 0.0049034800000000, 0.0062463600000000 ] - [ -0.0025836500000000, -0.0049034800000000, 0.0062463600000000 ] - [ 0.0050032700000000, -0.0014330100000000, 0.0023262100000000 ] - [ 0.0050032700000000, 0.0014330100000000, 0.0023262100000000 ] - [ -0.0326313100000000, 0.0000000000000000, 0.0269506200000000 ] - [ -0.0034730600000000, 0.0000000000000000, 0.0019584300000000 ] - [ 0.0047256000000000, 0.0000000000000000, -0.0001234100000000 ] - [ 0.0026743800000000, 0.0000000000000000, 0.0006397000000000 ] - [ -0.0099509200000000, -0.0126809800000000, -0.0126059400000000 ] - [ -0.0099509200000000, 0.0126809800000000, -0.0126059400000000 ] - [ -0.0027694300000000, -0.0048609200000000, 0.0051271000000000 ] - [ -0.0027694300000000, 0.0048609200000000, 0.0051271000000000 ] - [ 0.0135834300000000, 0.0000000000000000, -0.0006791800000000 ] - [ 0.0024478500000000, 0.0000000000000000, 0.0014622700000000 ]- atom: 11 displacement: [ 0.0099999983100469, 0.0000000000000000, 0.0000058136957938 ] forces: - [ -0.0059460600000000, -0.0003224100000000, 0.0025535500000000 ] - [ -0.0027288400000000, 0.0002102600000000, 0.0010473500000000 ] - [ 0.0019353600000000, -0.0001217600000000, -0.0004952900000000 ] - [ 0.0047033200000000, 0.0004195100000000, -0.0022227900000000 ] - [ 0.0004403300000000, -0.0004747800000000, 0.0005578300000000 ] - [ 0.0005545900000000, 0.0005567200000000, 0.0005508600000000 ] - [ -0.0028764500000000, -0.0001536400000000, 0.0001304500000000 ] - [ 0.0218441700000000, 0.0128355400000000, 0.0045230800000000 ] - [ -0.0018855100000000, 0.0005572000000000, 0.0003581800000000 ] - [ -0.0053098400000000, -0.0049371300000000, -0.0041393500000000 ] - [ -0.0661760600000000, -0.0536216900000000, -0.0419675100000000 ] - [ -0.0007989500000000, 0.0014525000000000, 0.0002187400000000 ] - [ 0.0008058200000000, -0.0009611800000000, 0.0006818500000000 ] - [ 0.0008048700000000, -0.0005624600000000, 0.0005903600000000 ] - [ 0.0008169500000000, 0.0005398700000000, 0.0005306400000000 ] - [ 0.0008282600000000, 0.0010426100000000, 0.0007554800000000 ] - [ -0.0074955000000000, 0.0085889300000000, -0.0068940700000000 ] - [ -0.0054031500000000, 0.0042384500000000, -0.0031486300000000 ] - [ 0.0016078100000000, -0.0020661700000000, 0.0023054000000000 ] - [ 0.0001190500000000, -0.0001571300000000, 0.0004843300000000 ] - [ -0.0015385600000000, -0.0006726000000000, 0.0113714600000000 ] - [ -0.0007182300000000, 0.0012381800000000, -0.0008295300000000 ] - [ 0.0015274000000000, 0.0069089000000000, 0.0162903300000000 ] - [ -0.0012053100000000, -0.0004814700000000, -0.0008276200000000 ] - [ 0.0003478800000000, -0.0000350000000000, -0.0002587000000000 ] - [ 0.0007520600000000, 0.0000417700000000, 0.0000346000000000 ] - [ 0.0010301200000000, -0.0110439800000000, -0.0093948200000000 ] - [ -0.0012290500000000, 0.0005300400000000, -0.0001194500000000 ] - [ -0.0002041900000000, -0.0006869800000000, -0.0000303900000000 ] - [ 0.0003237000000000, 0.0003575500000000, -0.0002661200000000 ] - [ 0.0007537600000000, -0.0008569000000000, -0.0011173500000000 ] - [ -0.0000092000000000, 0.0002811300000000, -0.0002150300000000 ] - [ 0.0013985600000000, -0.0023603900000000, -0.0008501500000000 ] - [ 0.0002137600000000, 0.0017656500000000, -0.0008602000000000 ] - [ 0.0003359900000000, -0.0001494300000000, 0.0003993000000000 ] - [ -0.0000467700000000, 0.0005752600000000, 0.0002458000000000 ] - [ 0.0004304000000000, -0.0002791400000000, 0.0006350800000000 ] - [ 0.0024664200000000, 0.0033524400000000, 0.0026229600000000 ] - [ 0.0012010700000000, -0.0042667300000000, 0.0108115400000000 ] - [ -0.0011531300000000, 0.0022559800000000, -0.0018142400000000 ] - [ -0.0016684400000000, -0.0025276600000000, -0.0022606500000000 ] - [ 0.0043866100000000, 0.0052968800000000, 0.0048529500000000 ] - [ 0.0016917700000000, 0.0000644200000000, -0.0004510700000000 ] - [ 0.0018967800000000, -0.0000622600000000, -0.0005437900000000 ] - [ 0.0174454400000000, 0.0092596200000000, 0.0002918800000000 ] - [ -0.0015594400000000, 0.0000470100000000, 0.0002979700000000 ] - [ 0.0016644700000000, 0.0004159400000000, 0.0002440600000000 ] - [ 0.0015179200000000, -0.0004071900000000, 0.0002417800000000 ] - [ 0.0037811000000000, -0.0000851600000000, -0.0007919500000000 ] - [ 0.0008814000000000, 0.0000429600000000, -0.0006347300000000 ] - [ 0.0026909000000000, -0.0001601800000000, -0.0008420200000000 ] - [ 0.0024100600000000, 0.0002381300000000, -0.0006900000000000 ] - [ 0.0007060200000000, 0.0002735600000000, 0.0004339600000000 ] - [ 0.0007072200000000, 0.0003473800000000, 0.0005030200000000 ] - [ 0.0009976100000000, -0.0021207800000000, 0.0016633000000000 ] - [ -0.0003382000000000, 0.0011006000000000, -0.0008156700000000 ] - [ 0.0014709700000000, 0.0024562500000000, 0.0026948300000000 ] - [ -0.0002417100000000, -0.0010936500000000, -0.0009724000000000 ] - [ 0.0009349600000000, -0.0006748800000000, 0.0007091100000000 ] - [ 0.0004962900000000, 0.0000383300000000, 0.0002448600000000 ] - [ 0.0002151500000000, 0.0016314000000000, -0.0012024600000000 ] - [ 0.0001274900000000, -0.0008960500000000, 0.0005511800000000 ] - [ 0.0006462600000000, 0.0002659400000000, 0.0003976100000000 ] - [ 0.0006516100000000, 0.0003769800000000, 0.0002095700000000 ] - [ 0.0007304000000000, -0.0004043000000000, 0.0002160900000000 ] - [ 0.0005638100000000, -0.0002389800000000, 0.0004134400000000 ] - [ 0.0010823600000000, -0.0001016100000000, 0.0009294400000000 ] - [ -0.0002472300000000, 0.0000138300000000, -0.0001144300000000 ] - [ 0.0014360500000000, 0.0002392200000000, 0.0005987500000000 ] - [ 0.0016867200000000, -0.0001792700000000, 0.0006093100000000 ] - [ 0.0008628600000000, -0.0007310300000000, 0.0001051900000000 ] - [ 0.0005418000000000, -0.0001413700000000, 0.0000514700000000 ] - [ 0.0019091500000000, 0.0012577800000000, 0.0000164800000000 ] - [ 0.0002209600000000, -0.0006110600000000, -0.0000195300000000 ] - [ 0.0015660100000000, -0.0008730400000000, 0.0000674800000000 ] - [ 0.0000719700000000, 0.0006833900000000, -0.0000397300000000 ] - [ 0.0008269800000000, 0.0006874600000000, 0.0000983500000000 ] - [ 0.0005599100000000, 0.0001858500000000, 0.0000479400000000 ] - [ 0.0006732000000000, -0.0017406800000000, -0.0015916900000000 ] - [ 0.0001668400000000, 0.0008918500000000, 0.0006647900000000 ] - [ 0.0007563000000000, 0.0000092000000000, 0.0000538100000000 ] - [ 0.0006796500000000, -0.0003611400000000, 0.0002487300000000 ] - [ 0.0007479400000000, -0.0001046600000000, -0.0000032100000000 ] - [ 0.0007101000000000, 0.0004663200000000, 0.0002981800000000 ] - [ -0.0053030100000000, 0.0063232500000000, 0.0009723300000000 ] - [ 0.0015879400000000, -0.0029974500000000, 0.0007621000000000 ] - [ -0.0004911100000000, 0.0000611200000000, 0.0003585200000000 ] - [ -0.0015611700000000, -0.0002016800000000, -0.0006365300000000 ] - [ -0.0010425100000000, -0.0012961600000000, -0.0004602600000000 ] - [ -0.0014122500000000, 0.0012018000000000, -0.0006552800000000 ] - [ -0.0021861100000000, 0.0000303400000000, -0.0000468700000000 ] - [ -0.0009299500000000, -0.0000328400000000, 0.0002603900000000 ] - [ -0.0013907100000000, 0.0002469200000000, 0.0003892100000000 ] - [ -0.0008815100000000, -0.0003431800000000, -0.0000102300000000 ] - [ 0.0032631300000000, -0.0000185500000000, 0.0004175200000000 ] - [ 0.0028814400000000, -0.0008810500000000, 0.0037143400000000 ] - [ -0.0014639300000000, -0.0017824900000000, -0.0006914200000000 ] - [ -0.0016692200000000, 0.0017559700000000, -0.0014742300000000 ] - [ -0.0010334800000000, 0.0000915700000000, -0.0000327800000000 ] - [ -0.0006144100000000, -0.0000833000000000, 0.0001145600000000 ] - [ 0.0064435400000000, -0.0047869000000000, 0.0051964500000000 ] - [ 0.0196139900000000, 0.0078038100000000, 0.0061791200000000 ] - [ -0.0033108000000000, 0.0015989000000000, -0.0022002200000000 ] - [ -0.0031158300000000, -0.0022257500000000, -0.0023932600000000 ] - [ 0.0328200900000000, 0.0174672200000000, 0.0083449700000000 ] - [ 0.0030456900000000, -0.0028051800000000, 0.0017382500000000 ] - [ -0.0016486000000000, -0.0000152500000000, -0.0006039200000000 ] - [ -0.0020695000000000, 0.0000224200000000, -0.0002579000000000 ] - [ -0.0004578000000000, 0.0015817200000000, -0.0018467200000000 ] - [ -0.0140567500000000, -0.0012724700000000, 0.0010693100000000 ] - [ 0.0036821300000000, 0.0065993200000000, -0.0031836800000000 ] - [ 0.0017223200000000, -0.0038707900000000, -0.0011180400000000 ] - [ -0.0040702700000000, 0.0002769000000000, 0.0005511100000000 ] - [ -0.0027474000000000, -0.0002958400000000, 0.0001564800000000 ] - [ -0.0000889300000000, -0.0036490100000000, -0.0004552100000000 ] - [ -0.0004145300000000, 0.0033952500000000, 0.0006912900000000 ] - [ -0.0032609400000000, -0.0001773900000000, -0.0005088700000000 ] - [ -0.0047880800000000, 0.0001817100000000, -0.0002051200000000 ] - [ 0.0015739600000000, 0.0019537200000000, -0.0086669500000000 ] - [ 0.0032715300000000, -0.0002327100000000, 0.0010323200000000 ] - [ -0.0126621600000000, -0.0000138000000000, 0.0048822700000000 ] - [ -0.0001039200000000, 0.0000698500000000, -0.0009736900000000 ] - [ -0.0023020100000000, -0.0006097500000000, 0.0002519900000000 ] - [ -0.0024037300000000, 0.0006168300000000, 0.0003085000000000 ]- atom: 11 displacement: [ -0.0099999983100469, 0.0000000000000000, -0.0000058136957938 ] forces: - [ 0.0057414700000000, 0.0003212400000000, -0.0023580300000000 ] - [ 0.0025450200000000, -0.0002123800000000, -0.0008590100000000 ] - [ -0.0017337000000000, 0.0001182700000000, 0.0002985500000000 ] - [ -0.0044839300000000, -0.0004102000000000, 0.0020148000000000 ] - [ 0.0002976500000000, 0.0004760200000000, 0.0001369600000000 ] - [ 0.0001699500000000, -0.0005583400000000, 0.0001434900000000 ] - [ 0.0020997100000000, 0.0001438800000000, -0.0008121600000000 ] - [ -0.0223614800000000, -0.0125891800000000, -0.0050985200000000 ] - [ 0.0018906500000000, -0.0005587700000000, -0.0003588800000000 ] - [ 0.0053997400000000, 0.0049386800000000, 0.0041222900000000 ] - [ 0.0657175500000000, 0.0536405300000000, 0.0423909500000000 ] - [ 0.0004131400000000, -0.0018926200000000, -0.0002049900000000 ] - [ -0.0004266400000000, 0.0005237800000000, -0.0006977000000000 ] - [ -0.0004277200000000, 0.0001287200000000, -0.0006082800000000 ] - [ -0.0004391000000000, -0.0001036300000000, -0.0005431800000000 ] - [ -0.0004514100000000, -0.0006084600000000, -0.0007705700000000 ] - [ 0.0071175000000000, -0.0081006800000000, 0.0069293700000000 ] - [ 0.0050267600000000, -0.0039180100000000, 0.0032020400000000 ] - [ -0.0017458400000000, 0.0017279400000000, -0.0018350300000000 ] - [ -0.0002668600000000, -0.0001811700000000, -0.0000252100000000 ] - [ 0.0015751600000000, 0.0012673800000000, -0.0113548900000000 ] - [ 0.0007170300000000, -0.0006485800000000, 0.0008318800000000 ] - [ -0.0015855800000000, -0.0074893800000000, -0.0162451200000000 ] - [ 0.0012043600000000, -0.0001088300000000, 0.0008364200000000 ] - [ -0.0004702300000000, 0.0000327400000000, -0.0001256500000000 ] - [ -0.0008759400000000, -0.0000405200000000, -0.0004195800000000 ] - [ -0.0009189600000000, 0.0109066700000000, 0.0096371600000000 ] - [ 0.0013322700000000, -0.0005315600000000, 0.0004982800000000 ] - [ 0.0004434700000000, 0.0002247400000000, -0.0000469700000000 ] - [ -0.0000844100000000, -0.0008146000000000, 0.0001816000000000 ] - [ -0.0010058100000000, 0.0004073100000000, 0.0011913300000000 ] - [ -0.0002389900000000, -0.0007497100000000, 0.0002905400000000 ] - [ -0.0016137800000000, 0.0027763500000000, 0.0008951400000000 ] - [ -0.0004601500000000, -0.0012877800000000, 0.0009275600000000 ] - [ -0.0000909500000000, 0.0006173300000000, -0.0004885700000000 ] - [ 0.0002811200000000, -0.0001276800000000, -0.0003335000000000 ] - [ -0.0005742500000000, 0.0006044700000000, -0.0001717400000000 ] - [ -0.0025968000000000, -0.0029942600000000, -0.0021436900000000 ] - [ -0.0011051100000000, 0.0046251100000000, -0.0112772300000000 ] - [ 0.0013007300000000, -0.0019428000000000, 0.0013722900000000 ] - [ 0.0018081800000000, 0.0021997200000000, 0.0018002100000000 ] - [ -0.0042875000000000, -0.0057754500000000, -0.0054456400000000 ] - [ -0.0018830200000000, -0.0000646400000000, 0.0006453800000000 ] - [ -0.0020858500000000, 0.0000627200000000, 0.0007375600000000 ] - [ -0.0174960900000000, -0.0094336900000000, -0.0005224900000000 ] - [ 0.0017664600000000, -0.0000487400000000, -0.0004965100000000 ] - [ -0.0009022300000000, -0.0004170000000000, 0.0004468500000000 ] - [ -0.0007449300000000, 0.0004083700000000, 0.0004456500000000 ] - [ -0.0045503700000000, 0.0000882600000000, 0.0001059000000000 ] - [ -0.0016277000000000, -0.0000434900000000, -0.0000547700000000 ] - [ -0.0026876000000000, 0.0001599400000000, 0.0008430800000000 ] - [ -0.0024056400000000, -0.0002366000000000, 0.0006907500000000 ] - [ -0.0010841900000000, -0.0007065700000000, -0.0004165500000000 ] - [ -0.0010828500000000, -0.0007765300000000, -0.0004829900000000 ] - [ -0.0006124100000000, 0.0016892100000000, -0.0016844000000000 ] - [ 0.0007226300000000, -0.0015410500000000, 0.0008017200000000 ] - [ -0.0010843700000000, -0.0020196300000000, -0.0027025800000000 ] - [ 0.0006265200000000, 0.0015208500000000, 0.0009480800000000 ] - [ -0.0013130600000000, 0.0011069700000000, -0.0006874000000000 ] - [ -0.0008731400000000, 0.0003920000000000, -0.0002225000000000 ] - [ -0.0003582500000000, -0.0019763900000000, 0.0016710300000000 ] - [ -0.0002663000000000, 0.0005583400000000, -0.0000915100000000 ] - [ -0.0006460300000000, 0.0003266600000000, -0.0004014600000000 ] - [ -0.0006516200000000, 0.0002165700000000, -0.0002147000000000 ] - [ -0.0007304700000000, -0.0001894200000000, -0.0002170500000000 ] - [ -0.0005647900000000, -0.0003519300000000, -0.0004134900000000 ] - [ -0.0011913300000000, 0.0001025900000000, -0.0013075800000000 ] - [ 0.0001362500000000, -0.0000151500000000, -0.0002638700000000 ] - [ -0.0013200600000000, -0.0002416600000000, -0.0002229300000000 ] - [ -0.0015666900000000, 0.0001810900000000, -0.0002334200000000 ] - [ -0.0006142100000000, 0.0002653500000000, -0.0001817100000000 ] - [ -0.0002936600000000, -0.0003255000000000, -0.0001257100000000 ] - [ -0.0021671200000000, -0.0017340900000000, 0.0000618900000000 ] - [ -0.0004636400000000, 0.0001497100000000, 0.0000992300000000 ] - [ -0.0018142700000000, 0.0013424900000000, 0.0000059100000000 ] - [ -0.0003136200000000, -0.0002229300000000, 0.0001161200000000 ] - [ -0.0005788200000000, -0.0002217200000000, -0.0001760400000000 ] - [ -0.0003116000000000, 0.0002798600000000, -0.0001256100000000 ] - [ -0.0007912000000000, 0.0021110800000000, 0.0020759700000000 ] - [ -0.0003123500000000, -0.0005641300000000, -0.0002082400000000 ] - [ -0.0006062300000000, 0.0003174800000000, -0.0005008900000000 ] - [ -0.0005287500000000, 0.0006890300000000, -0.0006966700000000 ] - [ -0.0005963200000000, -0.0002200600000000, -0.0004466700000000 ] - [ -0.0005591000000000, -0.0007951100000000, -0.0007510900000000 ] - [ 0.0062921100000000, -0.0062648500000000, -0.0016540000000000 ] - [ -0.0005035500000000, 0.0029820000000000, -0.0014829700000000 ] - [ -0.0005573300000000, -0.0000531200000000, 0.0003705900000000 ] - [ 0.0005173800000000, 0.0001947000000000, 0.0013749100000000 ] - [ 0.0021012700000000, 0.0013062800000000, -0.0002676400000000 ] - [ 0.0024700700000000, -0.0012086700000000, -0.0000745400000000 ] - [ 0.0011173200000000, -0.0000317200000000, 0.0007713500000000 ] - [ -0.0001391100000000, 0.0000344800000000, 0.0004650700000000 ] - [ 0.0008539800000000, -0.0002495900000000, -0.0007613700000000 ] - [ 0.0003529100000000, 0.0003424600000000, -0.0003663000000000 ] - [ -0.0027142100000000, 0.0000319100000000, -0.0000292300000000 ] - [ -0.0023172200000000, 0.0008798500000000, -0.0033455300000000 ] - [ 0.0009218200000000, 0.0017841000000000, 0.0003135400000000 ] - [ 0.0011340000000000, -0.0017604400000000, 0.0011025600000000 ] - [ 0.0015639300000000, -0.0000925000000000, 0.0004176800000000 ] - [ 0.0011425400000000, 0.0000840900000000, 0.0002682800000000 ] - [ -0.0056959300000000, 0.0047858100000000, -0.0045048600000000 ] - [ -0.0191181500000000, -0.0078423000000000, -0.0055419600000000 ] - [ 0.0025856700000000, -0.0015930300000000, 0.0014915300000000 ] - [ 0.0023998000000000, 0.0022129500000000, 0.0016838900000000 ] - [ -0.0333912000000000, -0.0177107200000000, -0.0089121200000000 ] - [ -0.0040083600000000, 0.0028438200000000, -0.0021065900000000 ] - [ 0.0026001400000000, 0.0000172800000000, 0.0009344200000000 ] - [ 0.0030218400000000, -0.0000240100000000, 0.0005883000000000 ] - [ 0.0002374300000000, -0.0015492000000000, 0.0007242700000000 ] - [ 0.0137555800000000, 0.0012442100000000, -0.0021709100000000 ] - [ -0.0034330700000000, -0.0066239800000000, 0.0043063800000000 ] - [ -0.0014686300000000, 0.0039296800000000, 0.0022678000000000 ] - [ 0.0047934200000000, -0.0002763000000000, 0.0001234400000000 ] - [ 0.0034615500000000, 0.0002952100000000, 0.0005218800000000 ] - [ -0.0006521200000000, 0.0036583400000000, -0.0002445100000000 ] - [ -0.0003997500000000, -0.0034072600000000, -0.0013618300000000 ] - [ 0.0023036500000000, 0.0001794000000000, 0.0001811200000000 ] - [ 0.0038226100000000, -0.0001849000000000, -0.0001180900000000 ] - [ -0.0006290700000000, -0.0019427300000000, 0.0089719300000000 ] - [ -0.0023326300000000, 0.0002412100000000, -0.0006978400000000 ] - [ 0.0125128000000000, -0.0000207100000000, -0.0060629800000000 ] - [ -0.0001361200000000, -0.0000631900000000, -0.0001326700000000 ] - [ 0.0025149200000000, 0.0006115300000000, 0.0008447100000000 ] - [ 0.0026113900000000, -0.0006189300000000, 0.0007892600000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0067258600000000, -0.0012383400000000, 0.0044550100000000 ] - [ -0.0030755400000000, 0.0008827800000000, 0.0016651000000000 ] - [ -0.0000124000000000, 0.0004825800000000, 0.0000202300000000 ] - [ 0.0036467900000000, -0.0002627000000000, -0.0021863700000000 ] - [ 0.0005667500000000, -0.0009844300000000, 0.0002999000000000 ] - [ 0.0037657500000000, 0.0011858800000000, 0.0004420900000000 ] - [ -0.0036021700000000, 0.0024757400000000, -0.0008420500000000 ] - [ 0.0263710300000000, 0.0035089900000000, -0.0008728900000000 ] - [ 0.0006689500000000, 0.0017097500000000, -0.0013373300000000 ] - [ -0.0261562800000000, 0.0016616300000000, 0.0172162700000000 ] - [ -0.0533762900000000, -0.1907556600000000, -0.1277073900000000 ] - [ 0.0014838200000000, 0.0121726900000000, 0.0041790300000000 ] - [ 0.0005357400000000, -0.0005526800000000, 0.0002129300000000 ] - [ 0.0009340800000000, -0.0005568900000000, 0.0004615800000000 ] - [ 0.0005117300000000, -0.0002442000000000, -0.0001155600000000 ] - [ 0.0010173900000000, 0.0014589200000000, 0.0008443800000000 ] - [ -0.0084878400000000, 0.0341042600000000, -0.0145053600000000 ] - [ -0.0042787900000000, 0.0421387100000000, -0.0121744000000000 ] - [ 0.0009844100000000, -0.0033907300000000, 0.0015633600000000 ] - [ -0.0003730200000000, 0.0020499800000000, -0.0010528500000000 ] - [ 0.0010276900000000, -0.0080413600000000, 0.0111108900000000 ] - [ -0.0001007400000000, 0.0048696900000000, -0.0025695000000000 ] - [ -0.0004502000000000, 0.0148047500000000, 0.0323869600000000 ] - [ -0.0014667100000000, 0.0003426200000000, -0.0035046000000000 ] - [ 0.0003184100000000, 0.0004019300000000, -0.0000006500000000 ] - [ 0.0010759800000000, -0.0003342000000000, 0.0006070200000000 ] - [ -0.0176634600000000, 0.0073311700000000, 0.0090908200000000 ] - [ 0.0011951400000000, 0.0022799100000000, -0.0010096500000000 ] - [ -0.0008633900000000, -0.0002476300000000, 0.0011055600000000 ] - [ 0.0014042200000000, -0.0004323200000000, 0.0007965100000000 ] - [ -0.0018262600000000, -0.0056559400000000, -0.0012675900000000 ] - [ 0.0005854800000000, 0.0022126800000000, -0.0003713400000000 ] - [ -0.0025870500000000, 0.0021153900000000, -0.0003519700000000 ] - [ 0.0007601600000000, 0.0011082600000000, -0.0008053900000000 ] - [ 0.0000580000000000, -0.0013743100000000, 0.0010285200000000 ] - [ 0.0009801200000000, 0.0035145800000000, 0.0019567600000000 ] - [ -0.0006722300000000, 0.0000736200000000, -0.0006562400000000 ] - [ 0.0022323000000000, 0.0020530500000000, 0.0016485200000000 ] - [ 0.0051291300000000, -0.0150236300000000, 0.0119981800000000 ] - [ -0.0021819300000000, 0.0076574400000000, -0.0051067100000000 ] - [ -0.0022535800000000, -0.0035085200000000, -0.0048241600000000 ] - [ 0.0126594200000000, 0.0282278100000000, 0.0229609900000000 ] - [ 0.0011524700000000, 0.0001814900000000, -0.0002808200000000 ] - [ 0.0010081200000000, -0.0001820600000000, -0.0001138300000000 ] - [ 0.0302516100000000, 0.0022459700000000, -0.0068952400000000 ] - [ -0.0043269800000000, 0.0012579300000000, 0.0008200100000000 ] - [ 0.0018424900000000, 0.0008229100000000, 0.0001721100000000 ] - [ -0.0020934300000000, -0.0007889600000000, 0.0013908100000000 ] - [ 0.0041441800000000, -0.0004420700000000, -0.0008186300000000 ] - [ -0.0007993400000000, 0.0003367100000000, -0.0006082400000000 ] - [ 0.0016979700000000, -0.0002670500000000, -0.0006617300000000 ] - [ 0.0019288500000000, 0.0003345600000000, -0.0006507300000000 ] - [ 0.0003671800000000, 0.0000466300000000, 0.0002107500000000 ] - [ 0.0002954100000000, 0.0000450400000000, 0.0002274300000000 ] - [ 0.0020952400000000, -0.0072857900000000, 0.0061692400000000 ] - [ -0.0011286000000000, 0.0035906000000000, -0.0023665700000000 ] - [ 0.0024301100000000, 0.0032207500000000, 0.0043514800000000 ] - [ -0.0011161800000000, 0.0012844000000000, 0.0017298700000000 ] - [ 0.0006956100000000, -0.0007901000000000, 0.0006836800000000 ] - [ -0.0000174300000000, 0.0006932800000000, -0.0002337500000000 ] - [ 0.0006074800000000, 0.0016652200000000, -0.0013869800000000 ] - [ -0.0017391900000000, 0.0009175200000000, -0.0006640600000000 ] - [ 0.0003346900000000, 0.0004533500000000, 0.0004567200000000 ] - [ 0.0005448300000000, 0.0002325400000000, 0.0002265400000000 ] - [ 0.0004503000000000, -0.0007184700000000, 0.0002276800000000 ] - [ 0.0004249200000000, 0.0000260100000000, 0.0004557700000000 ] - [ 0.0021396900000000, -0.0007551500000000, 0.0018848000000000 ] - [ -0.0012261300000000, 0.0007138000000000, -0.0001373800000000 ] - [ 0.0010610000000000, 0.0004295400000000, 0.0005273800000000 ] - [ 0.0011198400000000, -0.0003541100000000, 0.0003672300000000 ] - [ 0.0008474300000000, -0.0013269500000000, 0.0002384800000000 ] - [ 0.0002080700000000, 0.0004864500000000, 0.0001374500000000 ] - [ 0.0025041500000000, 0.0016132800000000, -0.0002861100000000 ] - [ -0.0005932000000000, -0.0008890000000000, -0.0001362300000000 ] - [ 0.0016330400000000, -0.0017308000000000, -0.0000303100000000 ] - [ -0.0004613400000000, 0.0015859500000000, -0.0002953900000000 ] - [ 0.0008282300000000, 0.0006708500000000, 0.0002225800000000 ] - [ 0.0001524200000000, 0.0001922800000000, 0.0001166100000000 ] - [ -0.0019392900000000, -0.0065411700000000, -0.0048757000000000 ] - [ 0.0004098900000000, 0.0025239700000000, 0.0016034300000000 ] - [ 0.0005894600000000, 0.0002281700000000, -0.0001304700000000 ] - [ 0.0002564400000000, -0.0000824300000000, -0.0000486500000000 ] - [ 0.0002932700000000, -0.0008981300000000, -0.0005448200000000 ] - [ 0.0005520100000000, 0.0007402400000000, 0.0003484900000000 ] - [ 0.0135091400000000, 0.0043926700000000, 0.0054039800000000 ] - [ -0.0025845700000000, -0.0049514800000000, 0.0009205800000000 ] - [ -0.0007396600000000, -0.0020520200000000, 0.0005276400000000 ] - [ -0.0031560000000000, 0.0019117400000000, -0.0019533400000000 ] - [ -0.0007576700000000, -0.0022002800000000, -0.0002798900000000 ] - [ -0.0001769700000000, 0.0019414400000000, -0.0001586600000000 ] - [ -0.0025118900000000, 0.0007746400000000, -0.0005180200000000 ] - [ 0.0002569700000000, -0.0008761700000000, 0.0003473300000000 ] - [ 0.0003457100000000, 0.0007057300000000, -0.0009627800000000 ] - [ -0.0011729400000000, -0.0006056900000000, -0.0003396700000000 ] - [ 0.0035662900000000, -0.0055188600000000, -0.0011215900000000 ] - [ 0.0000614600000000, 0.0050132700000000, 0.0043565500000000 ] - [ -0.0026546500000000, -0.0036097200000000, -0.0010207700000000 ] - [ -0.0004807800000000, 0.0028998800000000, -0.0003648300000000 ] - [ -0.0008051700000000, 0.0002945600000000, -0.0000563600000000 ] - [ -0.0001384700000000, -0.0002781100000000, 0.0001338400000000 ] - [ 0.0076566800000000, -0.0223108800000000, 0.0161092300000000 ] - [ 0.0037967600000000, 0.0372877500000000, 0.0228218700000000 ] - [ -0.0018222400000000, 0.0024360500000000, -0.0001207100000000 ] - [ -0.0041487300000000, -0.0029815700000000, -0.0007125000000000 ] - [ 0.0260983500000000, 0.0555478700000000, 0.0237062200000000 ] - [ 0.0061153700000000, -0.0230488200000000, 0.0119641000000000 ] - [ -0.0010099300000000, -0.0007356500000000, -0.0007118800000000 ] - [ -0.0015377600000000, 0.0007206100000000, -0.0001419200000000 ] - [ 0.0023127000000000, -0.0039516700000000, 0.0005845300000000 ] - [ -0.0140632500000000, 0.0037305100000000, 0.0034415200000000 ] - [ 0.0040632100000000, 0.0116310200000000, -0.0048652300000000 ] - [ -0.0027418300000000, -0.0138175600000000, -0.0071466500000000 ] - [ -0.0029393100000000, 0.0008212400000000, 0.0009606800000000 ] - [ -0.0011818100000000, -0.0008448200000000, 0.0004412000000000 ] - [ -0.0021922100000000, -0.0069439100000000, -0.0000665600000000 ] - [ 0.0180900900000000, 0.0067044000000000, -0.0078336900000000 ] - [ -0.0014617000000000, -0.0006332500000000, -0.0005538000000000 ] - [ -0.0034260400000000, 0.0006421300000000, -0.0003061600000000 ] - [ -0.0021785900000000, 0.0096475700000000, -0.0184747300000000 ] - [ 0.0043486900000000, -0.0044281800000000, 0.0008671700000000 ] - [ -0.0171962300000000, 0.0038330200000000, 0.0091895100000000 ] - [ 0.0036456500000000, -0.0028758800000000, -0.0007100200000000 ] - [ -0.0018815800000000, -0.0012620500000000, 0.0003737800000000 ] - [ -0.0000911300000000, 0.0012819900000000, 0.0000785100000000 ]- atom: 11 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0065600100000000, 0.0012470800000000, -0.0042837800000000 ] - [ 0.0028814300000000, -0.0008860900000000, -0.0014758400000000 ] - [ 0.0001979400000000, -0.0004800100000000, -0.0002068000000000 ] - [ -0.0034656700000000, 0.0002579800000000, 0.0020045000000000 ] - [ 0.0001753700000000, 0.0009908000000000, 0.0003982500000000 ] - [ -0.0029918700000000, -0.0011901000000000, 0.0002589500000000 ] - [ 0.0028890600000000, -0.0024679300000000, 0.0001345200000000 ] - [ -0.0270585200000000, -0.0035982100000000, 0.0001251300000000 ] - [ -0.0006877900000000, -0.0017063200000000, 0.0013516200000000 ] - [ 0.0260382200000000, -0.0017505900000000, -0.0171926000000000 ] - [ 0.0537810200000000, 0.1913057100000000, 0.1281881100000000 ] - [ -0.0018564500000000, -0.0126046100000000, -0.0041534600000000 ] - [ -0.0001561100000000, 0.0001315200000000, -0.0002406700000000 ] - [ -0.0005510600000000, 0.0001273300000000, -0.0004844500000000 ] - [ -0.0001325500000000, 0.0006663700000000, 0.0000915000000000 ] - [ -0.0006332600000000, -0.0010322000000000, -0.0008640600000000 ] - [ 0.0081852500000000, -0.0340605100000000, 0.0146664100000000 ] - [ 0.0038643400000000, -0.0411455100000000, 0.0120715300000000 ] - [ -0.0011371100000000, 0.0030593000000000, -0.0011243200000000 ] - [ 0.0002321500000000, -0.0023747200000000, 0.0014984300000000 ] - [ -0.0009741500000000, 0.0087576300000000, -0.0110063400000000 ] - [ 0.0001041000000000, -0.0042723600000000, 0.0025403700000000 ] - [ 0.0004643200000000, -0.0155976200000000, -0.0326517200000000 ] - [ 0.0014686500000000, -0.0009596900000000, 0.0034803000000000 ] - [ -0.0004318400000000, -0.0004000000000000, -0.0003602200000000 ] - [ -0.0011963400000000, 0.0003308400000000, -0.0009708900000000 ] - [ 0.0178392000000000, -0.0072177200000000, -0.0087808100000000 ] - [ -0.0010570900000000, -0.0022839200000000, 0.0013638600000000 ] - [ 0.0011000800000000, -0.0002023500000000, -0.0011686900000000 ] - [ -0.0011696600000000, -0.0000442200000000, -0.0008428200000000 ] - [ 0.0015812700000000, 0.0051851300000000, 0.0013320100000000 ] - [ -0.0008148100000000, -0.0026657400000000, 0.0004390700000000 ] - [ 0.0023294800000000, -0.0016209900000000, 0.0004263100000000 ] - [ -0.0009939700000000, -0.0006680100000000, 0.0008686700000000 ] - [ 0.0001652100000000, 0.0018306400000000, -0.0010986600000000 ] - [ -0.0007352300000000, -0.0030475200000000, -0.0020196400000000 ] - [ 0.0005251400000000, 0.0002658500000000, 0.0011076000000000 ] - [ -0.0023813400000000, -0.0017390500000000, -0.0012052400000000 ] - [ -0.0050442400000000, 0.0153083900000000, -0.0125943200000000 ] - [ 0.0023390200000000, -0.0073426100000000, 0.0046795900000000 ] - [ 0.0024150900000000, 0.0032470800000000, 0.0044074700000000 ] - [ -0.0124265000000000, -0.0283396100000000, -0.0233117300000000 ] - [ -0.0013571300000000, -0.0001812400000000, 0.0004706200000000 ] - [ -0.0012131300000000, 0.0001813000000000, 0.0003036600000000 ] - [ -0.0302716000000000, -0.0021538000000000, 0.0068046000000000 ] - [ 0.0044909700000000, -0.0012621200000000, -0.0009974300000000 ] - [ -0.0010987900000000, -0.0008223500000000, 0.0005297500000000 ] - [ 0.0028360500000000, 0.0007869900000000, -0.0006865100000000 ] - [ -0.0049232100000000, 0.0004458400000000, 0.0001222400000000 ] - [ 0.0000360300000000, -0.0003387100000000, -0.0000912000000000 ] - [ -0.0017140100000000, 0.0002673300000000, 0.0006669200000000 ] - [ -0.0019359300000000, -0.0003359100000000, 0.0006525500000000 ] - [ -0.0007557300000000, -0.0004749500000000, -0.0001920900000000 ] - [ -0.0006837200000000, -0.0004766600000000, -0.0002115800000000 ] - [ -0.0017084200000000, 0.0068585300000000, -0.0061915800000000 ] - [ 0.0015098400000000, -0.0040175700000000, 0.0023418100000000 ] - [ -0.0020409600000000, -0.0027788000000000, -0.0043712500000000 ] - [ 0.0014994500000000, -0.0008627900000000, -0.0017536300000000 ] - [ -0.0010848900000000, 0.0012200900000000, -0.0006644800000000 ] - [ -0.0003708600000000, -0.0002649000000000, 0.0002548700000000 ] - [ -0.0007503600000000, -0.0019951000000000, 0.0018378300000000 ] - [ 0.0015984600000000, -0.0012533500000000, 0.0011152800000000 ] - [ -0.0003385200000000, 0.0001337300000000, -0.0004607200000000 ] - [ -0.0005471500000000, 0.0003525500000000, -0.0002292000000000 ] - [ -0.0004541600000000, 0.0001306400000000, -0.0002267400000000 ] - [ -0.0004276800000000, -0.0006137700000000, -0.0004562100000000 ] - [ -0.0022511500000000, 0.0007604200000000, -0.0022486100000000 ] - [ 0.0011069300000000, -0.0007173200000000, -0.0002292900000000 ] - [ -0.0009541500000000, -0.0004304300000000, -0.0001671600000000 ] - [ -0.0010111900000000, 0.0003538300000000, -0.0000053400000000 ] - [ -0.0006151800000000, 0.0008713800000000, -0.0003015600000000 ] - [ 0.0000235000000000, -0.0009436300000000, -0.0002026800000000 ] - [ -0.0027452200000000, -0.0020744000000000, 0.0003537800000000 ] - [ 0.0003562400000000, 0.0004269900000000, 0.0002029100000000 ] - [ -0.0018683100000000, 0.0021931500000000, 0.0000932500000000 ] - [ 0.0002225800000000, -0.0011302100000000, 0.0003592600000000 ] - [ -0.0005942100000000, -0.0002131900000000, -0.0002915400000000 ] - [ 0.0000805600000000, 0.0002622200000000, -0.0001841600000000 ] - [ 0.0018113800000000, 0.0068869600000000, 0.0053404700000000 ] - [ -0.0005558900000000, -0.0021962600000000, -0.0011507500000000 ] - [ -0.0004507800000000, 0.0001030300000000, -0.0003204400000000 ] - [ -0.0001169200000000, 0.0004119600000000, -0.0004012800000000 ] - [ -0.0001536500000000, 0.0005670800000000, 0.0000907700000000 ] - [ -0.0004119100000000, -0.0010715800000000, -0.0008032100000000 ] - [ -0.0122927800000000, -0.0045089000000000, -0.0061329400000000 ] - [ 0.0035959400000000, 0.0049659100000000, -0.0016396100000000 ] - [ -0.0003170800000000, 0.0020378700000000, 0.0001910700000000 ] - [ 0.0021153200000000, -0.0018889900000000, 0.0026732300000000 ] - [ 0.0018158500000000, 0.0022011200000000, -0.0004388700000000 ] - [ 0.0012286900000000, -0.0019410100000000, -0.0005594400000000 ] - [ 0.0014624300000000, -0.0007768300000000, 0.0012367400000000 ] - [ -0.0013011300000000, 0.0008773400000000, 0.0003737000000000 ] - [ -0.0008507200000000, -0.0007090300000000, 0.0005595400000000 ] - [ 0.0006574400000000, 0.0006083300000000, -0.0000573700000000 ] - [ -0.0030794600000000, 0.0055049800000000, 0.0015219100000000 ] - [ 0.0005229500000000, -0.0049189800000000, -0.0040729700000000 ] - [ 0.0021517900000000, 0.0036103600000000, 0.0006299600000000 ] - [ -0.0000493400000000, -0.0028896100000000, -0.0000464500000000 ] - [ 0.0013262800000000, -0.0002969800000000, 0.0004539300000000 ] - [ 0.0006582000000000, 0.0002796100000000, 0.0002623700000000 ] - [ -0.0070313600000000, 0.0223553900000000, -0.0155732700000000 ] - [ -0.0021265200000000, -0.0348829000000000, -0.0189013800000000 ] - [ 0.0011496600000000, -0.0024443500000000, -0.0005494200000000 ] - [ 0.0034498100000000, 0.0029880900000000, 0.0000416800000000 ] - [ -0.0289880000000000, -0.0590330800000000, -0.0273998600000000 ] - [ -0.0070415900000000, 0.0229729400000000, -0.0121635400000000 ] - [ 0.0019816900000000, 0.0007299000000000, 0.0010197400000000 ] - [ 0.0025162500000000, -0.0007164300000000, 0.0004471900000000 ] - [ -0.0025158100000000, 0.0039152400000000, -0.0016454800000000 ] - [ 0.0139140000000000, -0.0037018200000000, -0.0045136900000000 ] - [ -0.0038706000000000, -0.0117345700000000, 0.0059860400000000 ] - [ 0.0028945700000000, 0.0138159900000000, 0.0081784500000000 ] - [ 0.0036582500000000, -0.0008230700000000, -0.0002834800000000 ] - [ 0.0018914100000000, 0.0008461500000000, 0.0002405700000000 ] - [ 0.0015143000000000, 0.0069364300000000, -0.0006227200000000 ] - [ -0.0187957900000000, -0.0066964500000000, 0.0071552500000000 ] - [ 0.0005117600000000, 0.0006310800000000, 0.0002508300000000 ] - [ 0.0024799700000000, -0.0006418500000000, 0.0000040500000000 ] - [ 0.0031130300000000, -0.0097362500000000, 0.0188112400000000 ] - [ -0.0033783300000000, 0.0044461300000000, -0.0005507600000000 ] - [ 0.0170510400000000, -0.0038642500000000, -0.0103131400000000 ] - [ -0.0038122700000000, 0.0028857200000000, -0.0003767600000000 ] - [ 0.0020873000000000, 0.0012589500000000, 0.0007046100000000 ] - [ 0.0002949500000000, -0.0012805900000000, 0.0009999700000000 ]- atom: 11 displacement: [ -0.0011848924261905, 0.0000000000000000, 0.0099295533604667 ] forces: - [ -0.0082463000000000, -0.0007159300000000, 0.0054804700000000 ] - [ -0.0033628500000000, 0.0005492500000000, 0.0020965700000000 ] - [ -0.0000040100000000, 0.0003246900000000, -0.0000728800000000 ] - [ 0.0016390900000000, -0.0002436900000000, -0.0011928700000000 ] - [ 0.0025283000000000, -0.0008546400000000, 0.0003551100000000 ] - [ 0.0034755900000000, 0.0007384300000000, 0.0004115100000000 ] - [ -0.0017791700000000, 0.0012787200000000, -0.0010897000000000 ] - [ 0.0138440700000000, 0.0013290500000000, -0.0066934500000000 ] - [ -0.0007135900000000, 0.0007662500000000, -0.0004477700000000 ] - [ -0.0261107200000000, 0.0076217200000000, 0.0174182800000000 ] - [ -0.0342182300000000, -0.1211934100000000, -0.1455892200000000 ] - [ 0.0000938000000000, 0.0037342200000000, 0.0007116900000000 ] - [ 0.0007129300000000, -0.0005991500000000, 0.0002220900000000 ] - [ 0.0008025700000000, -0.0004004000000000, 0.0002319700000000 ] - [ 0.0006490300000000, 0.0000745900000000, -0.0000012200000000 ] - [ 0.0008720400000000, 0.0009679100000000, 0.0004817700000000 ] - [ -0.0061760200000000, 0.0137828000000000, -0.0138289800000000 ] - [ -0.0027303400000000, 0.0117492400000000, -0.0133776000000000 ] - [ 0.0005077600000000, -0.0016253900000000, 0.0004209600000000 ] - [ -0.0002832200000000, 0.0012318800000000, -0.0007797700000000 ] - [ 0.0071764200000000, 0.0031133200000000, 0.0268423200000000 ] - [ -0.0000777300000000, 0.0022014600000000, -0.0006090000000000 ] - [ -0.0006366000000000, 0.0072412200000000, 0.0199666200000000 ] - [ -0.0001034400000000, -0.0018519900000000, -0.0009174500000000 ] - [ 0.0005406900000000, 0.0002309200000000, 0.0001643500000000 ] - [ 0.0010506700000000, -0.0001574100000000, 0.0008624700000000 ] - [ -0.0183927600000000, 0.0149108600000000, 0.0072866600000000 ] - [ 0.0002904200000000, 0.0005489000000000, -0.0008877700000000 ] - [ -0.0002877500000000, -0.0009469800000000, 0.0016025100000000 ] - [ 0.0000477200000000, -0.0009143200000000, 0.0026520700000000 ] - [ -0.0020051100000000, -0.0034266800000000, -0.0016608100000000 ] - [ 0.0000393500000000, 0.0008574700000000, -0.0002732200000000 ] - [ -0.0024573600000000, 0.0018435100000000, -0.0010275500000000 ] - [ -0.0000028800000000, 0.0005578400000000, -0.0009999300000000 ] - [ 0.0003813200000000, 0.0000851400000000, 0.0034339400000000 ] - [ 0.0008378400000000, 0.0026130000000000, 0.0019622500000000 ] - [ -0.0004276900000000, -0.0001057200000000, -0.0007062000000000 ] - [ 0.0010045100000000, 0.0007970500000000, 0.0004929000000000 ] - [ 0.0124997700000000, -0.0131487100000000, 0.0262780200000000 ] - [ -0.0014704600000000, 0.0052091300000000, -0.0037335900000000 ] - [ -0.0015622400000000, -0.0047815000000000, -0.0039157400000000 ] - [ 0.0120565200000000, 0.0242419600000000, 0.0241295500000000 ] - [ 0.0010593500000000, 0.0001230700000000, -0.0002374600000000 ] - [ 0.0008151800000000, -0.0001148200000000, -0.0000249000000000 ] - [ 0.0198171200000000, 0.0011230100000000, -0.0095523000000000 ] - [ -0.0013922000000000, 0.0005050500000000, -0.0000397600000000 ] - [ 0.0014681000000000, 0.0006107400000000, 0.0003432400000000 ] - [ -0.0021967800000000, -0.0005065800000000, 0.0015622200000000 ] - [ 0.0024455600000000, -0.0002966200000000, -0.0006966200000000 ] - [ -0.0005130500000000, 0.0002170500000000, -0.0005837300000000 ] - [ 0.0014969400000000, -0.0001623100000000, -0.0006359900000000 ] - [ 0.0014191300000000, 0.0001755400000000, -0.0005543400000000 ] - [ 0.0001937400000000, -0.0000574700000000, 0.0001330700000000 ] - [ 0.0001261500000000, -0.0000841400000000, 0.0001251600000000 ] - [ 0.0017540600000000, -0.0061383400000000, 0.0064244000000000 ] - [ -0.0005509900000000, 0.0019692200000000, -0.0011269700000000 ] - [ 0.0027123900000000, 0.0042765500000000, 0.0040503100000000 ] - [ -0.0007139400000000, 0.0021153700000000, 0.0029235800000000 ] - [ 0.0003700200000000, -0.0003465300000000, 0.0003830600000000 ] - [ -0.0000391500000000, 0.0004818200000000, -0.0001139600000000 ] - [ 0.0002279300000000, 0.0008815200000000, -0.0008442000000000 ] - [ -0.0016731000000000, 0.0013653900000000, -0.0010635900000000 ] - [ 0.0003145200000000, 0.0004051200000000, 0.0004062600000000 ] - [ 0.0004334100000000, 0.0002789100000000, 0.0003255300000000 ] - [ 0.0003875900000000, -0.0005594100000000, 0.0003308100000000 ] - [ 0.0003542100000000, -0.0001336200000000, 0.0004108100000000 ] - [ 0.0020805800000000, -0.0001708800000000, 0.0017595000000000 ] - [ -0.0007655400000000, 0.0004382600000000, 0.0002142000000000 ] - [ 0.0007816100000000, 0.0002720400000000, 0.0004211000000000 ] - [ 0.0008002100000000, -0.0002186800000000, 0.0003053500000000 ] - [ 0.0007738800000000, -0.0010667200000000, 0.0002820000000000 ] - [ 0.0002486600000000, 0.0002127800000000, 0.0001094100000000 ] - [ 0.0015975900000000, 0.0008477200000000, -0.0002556000000000 ] - [ -0.0001779600000000, -0.0006960300000000, -0.0003096200000000 ] - [ 0.0012092000000000, -0.0008757600000000, -0.0002844800000000 ] - [ -0.0002191200000000, 0.0010390700000000, -0.0002350600000000 ] - [ 0.0008048700000000, 0.0006661100000000, 0.0001905000000000 ] - [ 0.0002523300000000, 0.0002204700000000, 0.0002361700000000 ] - [ -0.0023341800000000, -0.0050529200000000, -0.0038820300000000 ] - [ 0.0002831000000000, 0.0016726200000000, 0.0010830400000000 ] - [ 0.0004963800000000, 0.0001531900000000, -0.0000715500000000 ] - [ 0.0002032300000000, 0.0000435500000000, -0.0001102900000000 ] - [ 0.0002461800000000, -0.0006721200000000, -0.0003866800000000 ] - [ 0.0004495500000000, 0.0004647100000000, 0.0001870200000000 ] - [ 0.0106981800000000, 0.0015868100000000, 0.0095754200000000 ] - [ -0.0003945600000000, -0.0022674200000000, 0.0012462100000000 ] - [ -0.0013903000000000, -0.0009329500000000, 0.0001043900000000 ] - [ -0.0035113500000000, -0.0000511400000000, -0.0030246400000000 ] - [ -0.0003518200000000, -0.0013328400000000, -0.0002686500000000 ] - [ -0.0000408600000000, 0.0011589300000000, 0.0000933000000000 ] - [ -0.0022442500000000, 0.0006764400000000, -0.0006566900000000 ] - [ -0.0000263200000000, -0.0006658200000000, 0.0001793100000000 ] - [ 0.0002068900000000, 0.0004021800000000, -0.0011716100000000 ] - [ -0.0007583600000000, -0.0002826500000000, -0.0005862400000000 ] - [ 0.0024120600000000, -0.0039326400000000, -0.0008154200000000 ] - [ 0.0058723800000000, 0.0066934500000000, -0.0021902600000000 ] - [ -0.0018781500000000, -0.0023249700000000, -0.0006615500000000 ] - [ -0.0025428500000000, 0.0027383500000000, -0.0013883600000000 ] - [ -0.0005610900000000, 0.0001526400000000, 0.0000584900000000 ] - [ -0.0001038200000000, -0.0001412700000000, 0.0001318500000000 ] - [ 0.0052776700000000, -0.0089753200000000, 0.0110897000000000 ] - [ 0.0020979500000000, 0.0274259600000000, 0.0413602900000000 ] - [ -0.0026795500000000, 0.0013798400000000, 0.0007402100000000 ] - [ -0.0033227600000000, -0.0015788000000000, 0.0002490100000000 ] - [ 0.0130869200000000, 0.0241835000000000, 0.0315528700000000 ] - [ 0.0020691500000000, -0.0073120000000000, 0.0058312600000000 ] - [ -0.0010516500000000, -0.0003341300000000, -0.0005476700000000 ] - [ -0.0013630600000000, 0.0003404000000000, -0.0002169700000000 ] - [ 0.0012106600000000, -0.0023834800000000, 0.0009212800000000 ] - [ -0.0071145400000000, 0.0023558500000000, 0.0028507000000000 ] - [ 0.0013987400000000, 0.0160758500000000, -0.0112097400000000 ] - [ -0.0023755100000000, -0.0113735600000000, -0.0074928900000000 ] - [ -0.0019507200000000, 0.0005403400000000, 0.0007908700000000 ] - [ -0.0007772600000000, -0.0005343100000000, 0.0004625700000000 ] - [ -0.0008357000000000, -0.0046456700000000, -0.0013645600000000 ] - [ 0.0185195200000000, 0.0044281400000000, -0.0091093700000000 ] - [ -0.0011989100000000, -0.0003779900000000, -0.0005610000000000 ] - [ -0.0021591500000000, 0.0003661900000000, -0.0005012100000000 ] - [ -0.0014970800000000, -0.0002392500000000, -0.0177529000000000 ] - [ 0.0029687000000000, -0.0026520500000000, -0.0022822400000000 ] - [ -0.0107619500000000, 0.0030109500000000, 0.0069692300000000 ] - [ 0.0014894500000000, -0.0022014000000000, 0.0003807300000000 ] - [ -0.0015580800000000, -0.0008930000000000, 0.0003510400000000 ] - [ 0.0000927100000000, 0.0008763200000000, -0.0000337100000000 ]- atom: 11 displacement: [ 0.0011848924261905, 0.0000000000000000, -0.0099295533604667 ] forces: - [ 0.0080424700000000, 0.0007100000000000, -0.0052804300000000 ] - [ 0.0031585500000000, -0.0005449500000000, -0.0018988500000000 ] - [ 0.0001906900000000, -0.0003232800000000, -0.0001168300000000 ] - [ -0.0014574300000000, 0.0002404800000000, 0.0010072900000000 ] - [ -0.0017460600000000, 0.0008475500000000, 0.0003328600000000 ] - [ -0.0027013200000000, -0.0007340200000000, 0.0002788200000000 ] - [ 0.0010203800000000, -0.0012695600000000, 0.0003866900000000 ] - [ -0.0146531800000000, -0.0014121800000000, 0.0059143800000000 ] - [ 0.0007221600000000, -0.0007611800000000, 0.0004367500000000 ] - [ 0.0258168000000000, -0.0075105200000000, -0.0172478900000000 ] - [ 0.0337663400000000, 0.1201714900000000, 0.1448502700000000 ] - [ -0.0004723700000000, -0.0041399000000000, -0.0006920800000000 ] - [ -0.0003286700000000, 0.0001679400000000, -0.0002443400000000 ] - [ -0.0004188300000000, -0.0000273700000000, -0.0002563600000000 ] - [ -0.0002658400000000, 0.0003525200000000, -0.0000203000000000 ] - [ -0.0004887600000000, -0.0005369000000000, -0.0005006400000000 ] - [ 0.0058000800000000, -0.0132111000000000, 0.0138656900000000 ] - [ 0.0023222300000000, -0.0113641500000000, 0.0132952600000000 ] - [ -0.0006587400000000, 0.0012974300000000, 0.0000174200000000 ] - [ 0.0001361300000000, -0.0015529900000000, 0.0012214700000000 ] - [ -0.0073027200000000, -0.0025914000000000, -0.0270978000000000 ] - [ 0.0000799000000000, -0.0016032600000000, 0.0006152400000000 ] - [ 0.0006518300000000, -0.0077834300000000, -0.0199148800000000 ] - [ 0.0001006300000000, 0.0012649100000000, 0.0009261400000000 ] - [ -0.0006533500000000, -0.0002305800000000, -0.0005337700000000 ] - [ -0.0011545800000000, 0.0001565600000000, -0.0012243800000000 ] - [ 0.0186354500000000, -0.0150319700000000, -0.0069493300000000 ] - [ -0.0001729400000000, -0.0005438400000000, 0.0012623800000000 ] - [ 0.0005316300000000, 0.0004736000000000, -0.0016627300000000 ] - [ 0.0002025000000000, 0.0004596700000000, -0.0027175900000000 ] - [ 0.0017565800000000, 0.0029499600000000, 0.0017427900000000 ] - [ -0.0002801800000000, -0.0013137400000000, 0.0003463000000000 ] - [ 0.0022052700000000, -0.0013606900000000, 0.0011124700000000 ] - [ -0.0002380100000000, -0.0000992100000000, 0.0010744100000000 ] - [ -0.0001268300000000, 0.0003779700000000, -0.0034818700000000 ] - [ -0.0005957200000000, -0.0021468000000000, -0.0020269600000000 ] - [ 0.0002760100000000, 0.0004350900000000, 0.0011504600000000 ] - [ -0.0011588400000000, -0.0004805500000000, -0.0000503200000000 ] - [ -0.0121687600000000, 0.0133346000000000, -0.0264018500000000 ] - [ 0.0016082900000000, -0.0048490700000000, 0.0032598000000000 ] - [ 0.0016894800000000, 0.0044099100000000, 0.0034054200000000 ] - [ -0.0118422700000000, -0.0244414100000000, -0.0243707200000000 ] - [ -0.0012547300000000, -0.0001227200000000, 0.0004287500000000 ] - [ -0.0010111400000000, 0.0001149700000000, 0.0002177000000000 ] - [ -0.0195762600000000, -0.0010372800000000, 0.0094392800000000 ] - [ 0.0015899000000000, -0.0005044500000000, -0.0001533500000000 ] - [ -0.0007128100000000, -0.0006098800000000, 0.0003500100000000 ] - [ 0.0029224600000000, 0.0005069100000000, -0.0008575500000000 ] - [ -0.0031938300000000, 0.0002960800000000, -0.0000009700000000 ] - [ -0.0002442100000000, -0.0002155000000000, -0.0001130400000000 ] - [ -0.0014954900000000, 0.0001620400000000, 0.0006328300000000 ] - [ -0.0014203200000000, -0.0001753400000000, 0.0005525900000000 ] - [ -0.0005754700000000, -0.0003732500000000, -0.0001164100000000 ] - [ -0.0005083700000000, -0.0003470900000000, -0.0001088600000000 ] - [ -0.0013693600000000, 0.0056882900000000, -0.0064322900000000 ] - [ 0.0009303600000000, -0.0023890400000000, 0.0011000100000000 ] - [ -0.0023371500000000, -0.0038586500000000, -0.0040639700000000 ] - [ 0.0010956700000000, -0.0016577100000000, -0.0029114400000000 ] - [ -0.0007520500000000, 0.0007770000000000, -0.0003631000000000 ] - [ -0.0003435100000000, -0.0000492200000000, 0.0001332000000000 ] - [ -0.0003697900000000, -0.0012077100000000, 0.0012903000000000 ] - [ 0.0015166200000000, -0.0016796500000000, 0.0014956100000000 ] - [ -0.0003142700000000, 0.0001845000000000, -0.0004070900000000 ] - [ -0.0004316100000000, 0.0003098200000000, -0.0003242300000000 ] - [ -0.0003865200000000, -0.0000312600000000, -0.0003260000000000 ] - [ -0.0003537700000000, -0.0004535300000000, -0.0004077000000000 ] - [ -0.0021995900000000, 0.0001657500000000, -0.0021267700000000 ] - [ 0.0006449800000000, -0.0004337300000000, -0.0005840700000000 ] - [ -0.0006639700000000, -0.0002709700000000, -0.0000490500000000 ] - [ -0.0006843400000000, 0.0002184300000000, 0.0000658500000000 ] - [ -0.0005330800000000, 0.0006026700000000, -0.0003510400000000 ] - [ -0.0000089300000000, -0.0006713600000000, -0.0001788000000000 ] - [ -0.0018300300000000, -0.0013036200000000, 0.0003269900000000 ] - [ -0.0000640800000000, 0.0002318000000000, 0.0003825100000000 ] - [ -0.0014443600000000, 0.0013331500000000, 0.0003526900000000 ] - [ -0.0000230300000000, -0.0005728300000000, 0.0003041700000000 ] - [ -0.0005647400000000, -0.0002058200000000, -0.0002639000000000 ] - [ -0.0000125300000000, 0.0002427600000000, -0.0003082900000000 ] - [ 0.0021851400000000, 0.0053522600000000, 0.0043051600000000 ] - [ -0.0004279600000000, -0.0013381200000000, -0.0006281300000000 ] - [ -0.0003513800000000, 0.0001776400000000, -0.0003803900000000 ] - [ -0.0000602000000000, 0.0002895500000000, -0.0003429100000000 ] - [ -0.0001026500000000, 0.0003377600000000, -0.0000718400000000 ] - [ -0.0003041800000000, -0.0007940300000000, -0.0006422700000000 ] - [ -0.0095186700000000, -0.0016408800000000, -0.0103322100000000 ] - [ 0.0014462100000000, 0.0022675500000000, -0.0019716000000000 ] - [ 0.0003274500000000, 0.0009348600000000, 0.0006175700000000 ] - [ 0.0024218300000000, 0.0000438200000000, 0.0037321700000000 ] - [ 0.0014055700000000, 0.0013269900000000, -0.0004537200000000 ] - [ 0.0010951500000000, -0.0011534200000000, -0.0008136500000000 ] - [ 0.0011892300000000, -0.0006728600000000, 0.0013791700000000 ] - [ -0.0010243500000000, 0.0006598200000000, 0.0005432600000000 ] - [ -0.0007293700000000, -0.0003978000000000, 0.0007712900000000 ] - [ 0.0002319700000000, 0.0002796600000000, 0.0001925700000000 ] - [ -0.0018790700000000, 0.0039160100000000, 0.0011906100000000 ] - [ -0.0052868000000000, -0.0066342900000000, 0.0024581700000000 ] - [ 0.0013463300000000, 0.0023168200000000, 0.0002672800000000 ] - [ 0.0020175100000000, -0.0027346300000000, 0.0009827100000000 ] - [ 0.0010843100000000, -0.0001520900000000, 0.0003286300000000 ] - [ 0.0006279100000000, 0.0001412400000000, 0.0002554800000000 ] - [ -0.0045384000000000, 0.0089087800000000, -0.0103050600000000 ] - [ -0.0005504700000000, -0.0248160800000000, -0.0390041600000000 ] - [ 0.0019587500000000, -0.0013773600000000, -0.0013975900000000 ] - [ 0.0026050400000000, 0.0015790800000000, -0.0009117900000000 ] - [ -0.0149835900000000, -0.0263214600000000, -0.0329233300000000 ] - [ -0.0030299800000000, 0.0072922900000000, -0.0061592800000000 ] - [ 0.0020061800000000, 0.0003333700000000, 0.0008625100000000 ] - [ 0.0023136300000000, -0.0003391200000000, 0.0005330500000000 ] - [ -0.0014042700000000, 0.0023626700000000, -0.0019971100000000 ] - [ 0.0069507000000000, -0.0023388800000000, -0.0039392000000000 ] - [ -0.0012089500000000, -0.0159393900000000, 0.0122638400000000 ] - [ 0.0025621000000000, 0.0113133600000000, 0.0085583100000000 ] - [ 0.0026609600000000, -0.0005365300000000, -0.0001037400000000 ] - [ 0.0014921300000000, 0.0005312300000000, 0.0002228900000000 ] - [ 0.0001182400000000, 0.0046339500000000, 0.0006939600000000 ] - [ -0.0191007900000000, -0.0044162000000000, 0.0083895800000000 ] - [ 0.0002450900000000, 0.0003766500000000, 0.0002408100000000 ] - [ 0.0012069800000000, -0.0003651800000000, 0.0001795600000000 ] - [ 0.0024599700000000, 0.0003142500000000, 0.0180166500000000 ] - [ -0.0020084100000000, 0.0026251700000000, 0.0025759100000000 ] - [ 0.0105019000000000, -0.0030009100000000, -0.0080241400000000 ] - [ -0.0016927400000000, 0.0021879900000000, -0.0014583200000000 ] - [ 0.0017656300000000, 0.0008910400000000, 0.0007401100000000 ] - [ 0.0001276400000000, -0.0008737900000000, 0.0011221800000000 ]- atom: 19 displacement: [ 0.0099999983100469, 0.0000000000000000, 0.0000058136957938 ] forces: - [ 0.0009260100000000, 0.0000953200000000, -0.0000799300000000 ] - [ 0.0006000900000000, -0.0001338100000000, -0.0000929000000000 ] - [ -0.0018344900000000, -0.0002024000000000, 0.0002880400000000 ] - [ -0.0053973600000000, 0.0049078300000000, -0.0034710400000000 ] - [ -0.0024854700000000, 0.0050219500000000, -0.0053084200000000 ] - [ -0.0009798100000000, -0.0005796300000000, 0.0001677300000000 ] - [ -0.0018112500000000, 0.0003771600000000, -0.0007210100000000 ] - [ 0.0147678100000000, -0.0087911400000000, 0.0046996700000000 ] - [ 0.0013985400000000, 0.0000201800000000, -0.0005674100000000 ] - [ 0.0036032000000000, -0.0000106500000000, -0.0015798900000000 ] - [ 0.0014856700000000, 0.0008507400000000, 0.0007999200000000 ] - [ 0.0000035000000000, -0.0005189100000000, -0.0001789200000000 ] - [ 0.0045378100000000, -0.0127264300000000, 0.0125150100000000 ] - [ -0.0015512900000000, 0.0021306400000000, -0.0018705900000000 ] - [ 0.0013316800000000, 0.0053187400000000, 0.0125895700000000 ] - [ -0.0010365800000000, -0.0020532000000000, -0.0017140400000000 ] - [ 0.0003097400000000, 0.0008090100000000, -0.0002801200000000 ] - [ 0.0023316800000000, -0.0020830800000000, 0.0013969800000000 ] - [ -0.0586858900000000, 0.0521993400000000, -0.0452806200000000 ] - [ -0.0005718100000000, -0.0013179600000000, -0.0000804100000000 ] - [ 0.0008566000000000, 0.0004181000000000, 0.0007039300000000 ] - [ 0.0005512100000000, 0.0000620100000000, 0.0007379100000000 ] - [ 0.0006850000000000, -0.0000283600000000, 0.0006958700000000 ] - [ 0.0006349200000000, -0.0005119600000000, 0.0006452500000000 ] - [ -0.0017716100000000, -0.0004225600000000, -0.0001665000000000 ] - [ -0.0024188100000000, 0.0005337500000000, -0.0005068300000000 ] - [ 0.0020331300000000, 0.0003233200000000, 0.0021031300000000 ] - [ 0.0008708200000000, -0.0006477400000000, 0.0004017900000000 ] - [ -0.0001676800000000, 0.0007801100000000, -0.0004207000000000 ] - [ -0.0002215300000000, -0.0004832000000000, -0.0000942800000000 ] - [ 0.0001464700000000, 0.0013403700000000, 0.0069217000000000 ] - [ -0.0012914000000000, -0.0017952100000000, -0.0000109000000000 ] - [ -0.0024014700000000, 0.0023635200000000, 0.0002552700000000 ] - [ 0.0027630100000000, -0.0047279400000000, 0.0033012700000000 ] - [ -0.0003831300000000, 0.0003165800000000, 0.0000746200000000 ] - [ -0.0004064400000000, -0.0002451300000000, -0.0000538400000000 ] - [ -0.0053389600000000, -0.0056601500000000, -0.0042874300000000 ] - [ -0.0054598300000000, -0.0060760300000000, -0.0056738200000000 ] - [ 0.0002616400000000, 0.0015018700000000, -0.0019363100000000 ] - [ 0.0000200700000000, -0.0000678100000000, -0.0003644100000000 ] - [ 0.0000933400000000, 0.0004081300000000, -0.0002867000000000 ] - [ 0.0000968300000000, -0.0017031500000000, -0.0017857300000000 ] - [ 0.0007391000000000, -0.0003550100000000, 0.0000314700000000 ] - [ 0.0007362300000000, 0.0004057800000000, 0.0001152800000000 ] - [ 0.0026125500000000, 0.0001030600000000, -0.0009847500000000 ] - [ 0.0021179400000000, -0.0001811600000000, -0.0006549500000000 ] - [ 0.0023331600000000, -0.0001561900000000, 0.0002214100000000 ] - [ 0.0024847300000000, 0.0001255500000000, 0.0001041200000000 ] - [ 0.0031652600000000, -0.0000431700000000, -0.0011562500000000 ] - [ 0.0006838400000000, -0.0000073300000000, -0.0004013300000000 ] - [ 0.0195764000000000, -0.0091340100000000, 0.0002907300000000 ] - [ -0.0016647900000000, -0.0000935500000000, 0.0002686800000000 ] - [ 0.0000029400000000, -0.0018926100000000, -0.0015821500000000 ] - [ 0.0000905100000000, 0.0004638900000000, 0.0003441300000000 ] - [ 0.0008643000000000, -0.0004369100000000, 0.0002431100000000 ] - [ 0.0008277800000000, -0.0006971600000000, 0.0004436700000000 ] - [ 0.0008729200000000, 0.0007329600000000, 0.0004966200000000 ] - [ 0.0007972100000000, 0.0004018600000000, 0.0001949400000000 ] - [ 0.0005268500000000, 0.0021100000000000, -0.0021924900000000 ] - [ 0.0000453900000000, -0.0002708200000000, 0.0003995900000000 ] - [ 0.0005514200000000, -0.0005234800000000, 0.0005741700000000 ] - [ 0.0005496500000000, -0.0005078800000000, 0.0005828100000000 ] - [ -0.0001278900000000, 0.0001386700000000, 0.0009218900000000 ] - [ -0.0002620900000000, 0.0011715100000000, 0.0002137300000000 ] - [ -0.0000903800000000, 0.0001420500000000, 0.0011346500000000 ] - [ -0.0003662400000000, -0.0012366100000000, 0.0013940800000000 ] - [ 0.0010225100000000, 0.0000398600000000, 0.0002322000000000 ] - [ 0.0008515000000000, -0.0000374700000000, 0.0001224700000000 ] - [ 0.0006056800000000, -0.0002401000000000, 0.0002920600000000 ] - [ 0.0005010800000000, 0.0003454200000000, 0.0002220500000000 ] - [ 0.0007290400000000, -0.0003413300000000, 0.0000970200000000 ] - [ 0.0006695800000000, -0.0006289600000000, 0.0001068800000000 ] - [ 0.0004479800000000, -0.0001809400000000, -0.0000228500000000 ] - [ 0.0004347000000000, 0.0000880000000000, 0.0000158000000000 ] - [ 0.0004661700000000, 0.0002149200000000, -0.0000411500000000 ] - [ 0.0004276000000000, -0.0001081400000000, 0.0000298100000000 ] - [ 0.0007462500000000, 0.0004034600000000, 0.0001162900000000 ] - [ 0.0006546900000000, 0.0005453200000000, 0.0000817500000000 ] - [ 0.0006884800000000, 0.0007644900000000, 0.0007509200000000 ] - [ 0.0003717300000000, 0.0002426100000000, 0.0003993800000000 ] - [ 0.0023204900000000, -0.0022956100000000, 0.0015493700000000 ] - [ 0.0002806800000000, 0.0005973600000000, -0.0003360600000000 ] - [ 0.0016292000000000, 0.0015105400000000, 0.0011289400000000 ] - [ 0.0001591400000000, -0.0007038200000000, -0.0004562800000000 ] - [ 0.0000168800000000, -0.0060720500000000, -0.0044476700000000 ] - [ 0.0003351100000000, 0.0042415300000000, -0.0001858500000000 ] - [ 0.0019125000000000, -0.0000883800000000, 0.0005564500000000 ] - [ 0.0019171300000000, 0.0000102800000000, 0.0024915400000000 ] - [ -0.0005201200000000, 0.0004208600000000, -0.0003719100000000 ] - [ -0.0007127200000000, -0.0004971800000000, -0.0003694000000000 ] - [ -0.0020570800000000, -0.0001032400000000, -0.0002053000000000 ] - [ -0.0016328000000000, 0.0000796200000000, 0.0001476400000000 ] - [ 0.0027576500000000, -0.0003602400000000, -0.0013753200000000 ] - [ 0.0014621300000000, 0.0003456900000000, -0.0007019700000000 ] - [ 0.0002153900000000, -0.0003452900000000, -0.0001104900000000 ] - [ -0.0006964700000000, 0.0004261600000000, -0.0013729300000000 ] - [ -0.0011338900000000, 0.0000214200000000, -0.0003192300000000 ] - [ -0.0012080100000000, -0.0000160300000000, -0.0003148500000000 ] - [ -0.0005432800000000, 0.0000530900000000, 0.0002234400000000 ] - [ -0.0002209200000000, 0.0000026700000000, 0.0000999500000000 ] - [ -0.0002361800000000, -0.0005226900000000, 0.0011054600000000 ] - [ -0.0101513900000000, 0.0007108500000000, 0.0047743500000000 ] - [ 0.0196671000000000, -0.0052113700000000, 0.0032420700000000 ] - [ 0.0041239000000000, 0.0032535400000000, 0.0044427200000000 ] - [ -0.0045063900000000, -0.0012352800000000, -0.0007381800000000 ] - [ -0.0031745000000000, 0.0018215400000000, -0.0015031300000000 ] - [ 0.0011552400000000, 0.0050936500000000, -0.0036162400000000 ] - [ 0.0008512600000000, -0.0070566500000000, -0.0039921200000000 ] - [ 0.0042937800000000, 0.0029636500000000, 0.0031489700000000 ] - [ 0.0254057600000000, -0.0172152400000000, 0.0163477300000000 ] - [ -0.0006894500000000, -0.0017579900000000, 0.0020322200000000 ] - [ 0.0007002000000000, 0.0016448000000000, 0.0016017000000000 ] - [ -0.0130526400000000, 0.0003250600000000, 0.0056749800000000 ] - [ 0.0005030600000000, -0.0001405500000000, 0.0000287100000000 ] - [ -0.0029214400000000, 0.0001483800000000, -0.0005182100000000 ] - [ -0.0041305100000000, -0.0001462900000000, 0.0000114000000000 ] - [ 0.0004407900000000, 0.0015542000000000, -0.0001227900000000 ] - [ -0.0004239800000000, -0.0022073600000000, 0.0011023100000000 ] - [ -0.0016997800000000, -0.0003103700000000, -0.0008245500000000 ] - [ -0.0012224800000000, 0.0002624300000000, -0.0007228000000000 ] - [ -0.0036738900000000, -0.0001802800000000, -0.0003525800000000 ] - [ -0.0023789200000000, 0.0001804300000000, -0.0006600500000000 ] - [ -0.0023530000000000, 0.0020337500000000, -0.0006178200000000 ] - [ -0.0025853400000000, -0.0015944200000000, -0.0003649300000000 ]- atom: 19 displacement: [ -0.0099999983100469, 0.0000000000000000, -0.0000058136957938 ] forces: - [ -0.0011268600000000, -0.0000946500000000, 0.0002732400000000 ] - [ -0.0007878400000000, 0.0001340100000000, 0.0002830600000000 ] - [ 0.0020191400000000, 0.0001978100000000, -0.0004767700000000 ] - [ 0.0055255900000000, -0.0048908500000000, 0.0032817000000000 ] - [ 0.0032154400000000, -0.0050701300000000, 0.0060784400000000 ] - [ 0.0017454300000000, 0.0005783800000000, 0.0005223000000000 ] - [ 0.0010682400000000, -0.0003891600000000, 0.0000234200000000 ] - [ -0.0156255000000000, 0.0089516900000000, -0.0054952100000000 ] - [ -0.0013933500000000, -0.0000217200000000, 0.0005653800000000 ] - [ -0.0036073500000000, 0.0000138300000000, 0.0015806900000000 ] - [ -0.0018663300000000, -0.0012759500000000, -0.0007803900000000 ] - [ -0.0003796400000000, 0.0000851300000000, 0.0001943000000000 ] - [ -0.0041290900000000, 0.0123819500000000, -0.0126103300000000 ] - [ 0.0019236500000000, -0.0025472500000000, 0.0018280800000000 ] - [ -0.0009752700000000, -0.0048663000000000, -0.0125538700000000 ] - [ 0.0014151000000000, 0.0024767700000000, 0.0016876000000000 ] - [ -0.0006922600000000, -0.0003866200000000, 0.0003048400000000 ] - [ -0.0027295100000000, 0.0025355000000000, -0.0013908800000000 ] - [ 0.0583600100000000, -0.0520238300000000, 0.0453300200000000 ] - [ 0.0004287400000000, 0.0009724400000000, 0.0005337900000000 ] - [ -0.0008570200000000, 0.0001740500000000, -0.0007074300000000 ] - [ -0.0005476100000000, 0.0005270700000000, -0.0007390400000000 ] - [ -0.0006858000000000, -0.0005632500000000, -0.0006944000000000 ] - [ -0.0006309900000000, -0.0000769700000000, -0.0006420700000000 ] - [ 0.0016662400000000, 0.0004256100000000, -0.0002093400000000 ] - [ 0.0023024500000000, -0.0005294900000000, 0.0001400200000000 ] - [ -0.0019329200000000, -0.0003151600000000, -0.0017638900000000 ] - [ -0.0007248800000000, 0.0006418800000000, -0.0000221400000000 ] - [ 0.0004058100000000, -0.0012559100000000, 0.0003600000000000 ] - [ 0.0004604400000000, 0.0000277400000000, 0.0000325300000000 ] - [ -0.0003231000000000, -0.0017711900000000, -0.0068396100000000 ] - [ 0.0010496800000000, 0.0013115000000000, 0.0000807200000000 ] - [ 0.0021815000000000, -0.0019105100000000, -0.0001917300000000 ] - [ -0.0029527700000000, 0.0050536800000000, -0.0031572600000000 ] - [ 0.0006276800000000, 0.0001512500000000, -0.0001479000000000 ] - [ 0.0006498600000000, 0.0007031800000000, -0.0000178600000000 ] - [ 0.0051878200000000, 0.0060334900000000, 0.0047363700000000 ] - [ 0.0052996000000000, 0.0062900700000000, 0.0060823200000000 ] - [ -0.0001197800000000, -0.0011638000000000, 0.0014793600000000 ] - [ 0.0001287700000000, 0.0003931100000000, -0.0000834300000000 ] - [ 0.0000516800000000, -0.0007452900000000, -0.0001710300000000 ] - [ 0.0000536000000000, 0.0013803800000000, 0.0013367900000000 ] - [ -0.0009593600000000, 0.0003547900000000, 0.0001680200000000 ] - [ -0.0009392400000000, -0.0004039500000000, 0.0000804200000000 ] - [ -0.0024175000000000, -0.0001032500000000, 0.0007928700000000 ] - [ -0.0019184100000000, 0.0001816000000000, 0.0004618000000000 ] - [ -0.0015740900000000, 0.0001537500000000, 0.0004737800000000 ] - [ -0.0017294400000000, -0.0001240400000000, 0.0005916800000000 ] - [ -0.0038979900000000, 0.0000421400000000, 0.0004539500000000 ] - [ -0.0014426300000000, 0.0000072700000000, -0.0002931600000000 ] - [ -0.0192517900000000, 0.0089460600000000, -0.0002652400000000 ] - [ 0.0016445200000000, 0.0000919700000000, -0.0002636100000000 ] - [ -0.0003895400000000, 0.0014430800000000, 0.0015796700000000 ] - [ -0.0004776700000000, -0.0008949700000000, -0.0003292200000000 ] - [ -0.0004824000000000, 0.0000072500000000, -0.0002641900000000 ] - [ -0.0004436700000000, 0.0002640800000000, -0.0004628000000000 ] - [ -0.0004916800000000, -0.0003046900000000, -0.0005156100000000 ] - [ -0.0004138000000000, 0.0000316200000000, -0.0002100300000000 ] - [ -0.0009349400000000, -0.0016436800000000, 0.0021847700000000 ] - [ -0.0004304900000000, 0.0006994600000000, -0.0003794900000000 ] - [ -0.0006938600000000, 0.0001897700000000, -0.0001218700000000 ] - [ -0.0006955600000000, 0.0001806900000000, -0.0001347500000000 ] - [ 0.0001238600000000, 0.0004465700000000, -0.0009338700000000 ] - [ 0.0002568600000000, -0.0005767200000000, -0.0002133400000000 ] - [ 0.0000890400000000, -0.0007280000000000, -0.0011277500000000 ] - [ 0.0003643600000000, 0.0006486100000000, -0.0014073700000000 ] - [ -0.0011379600000000, -0.0000400800000000, -0.0006038500000000 ] - [ -0.0009657400000000, 0.0000375200000000, -0.0004947800000000 ] - [ -0.0004927200000000, 0.0002376700000000, 0.0000768200000000 ] - [ -0.0003912800000000, -0.0003421400000000, 0.0001468700000000 ] - [ -0.0004880000000000, -0.0001195900000000, -0.0001661700000000 ] - [ -0.0004295300000000, 0.0001657000000000, -0.0001754100000000 ] - [ -0.0006896200000000, -0.0002833600000000, 0.0000954700000000 ] - [ -0.0006765900000000, -0.0005489400000000, 0.0000580100000000 ] - [ -0.0007072700000000, 0.0002495200000000, 0.0001096400000000 ] - [ -0.0006687500000000, 0.0005685600000000, 0.0000403900000000 ] - [ -0.0005054900000000, 0.0000568500000000, -0.0001879400000000 ] - [ -0.0004136200000000, -0.0000820900000000, -0.0001541300000000 ] - [ -0.0008328100000000, -0.0004320400000000, -0.0002949500000000 ] - [ -0.0005171800000000, 0.0000853600000000, 0.0000537100000000 ] - [ -0.0021552400000000, 0.0025942900000000, -0.0019760300000000 ] - [ -0.0001388100000000, -0.0002609100000000, -0.0001181500000000 ] - [ -0.0014754900000000, -0.0018257300000000, -0.0015726900000000 ] - [ -0.0000175000000000, 0.0003666000000000, -0.0000024100000000 ] - [ 0.0009941200000000, 0.0060514700000000, 0.0037910500000000 ] - [ 0.0006560600000000, -0.0041895000000000, -0.0005059000000000 ] - [ -0.0029830000000000, 0.0001016800000000, 0.0001640700000000 ] - [ -0.0029759200000000, -0.0000216700000000, -0.0017782600000000 ] - [ 0.0015766200000000, -0.0004157300000000, -0.0003490200000000 ] - [ 0.0017710600000000, 0.0004921000000000, -0.0003507400000000 ] - [ 0.0009985200000000, 0.0001025500000000, 0.0009249400000000 ] - [ 0.0005762400000000, -0.0000796000000000, 0.0005751100000000 ] - [ -0.0032831100000000, 0.0003606900000000, 0.0009822300000000 ] - [ -0.0019746900000000, -0.0003397100000000, 0.0002996500000000 ] - [ 0.0003038400000000, 0.0003552700000000, 0.0004976700000000 ] - [ 0.0012069000000000, -0.0004385900000000, 0.0017612600000000 ] - [ 0.0006086800000000, -0.0000198200000000, -0.0000699500000000 ] - [ 0.0006833000000000, 0.0000143600000000, -0.0000744700000000 ] - [ 0.0010702900000000, -0.0000531900000000, 0.0001684100000000 ] - [ 0.0007489700000000, -0.0000023800000000, 0.0002894200000000 ] - [ 0.0009358100000000, 0.0005394300000000, -0.0004206900000000 ] - [ 0.0108938000000000, -0.0007297300000000, -0.0040999100000000 ] - [ -0.0207432400000000, 0.0051603500000000, -0.0038806100000000 ] - [ -0.0048070800000000, -0.0032119200000000, -0.0050711900000000 ] - [ 0.0035575500000000, 0.0012357800000000, 0.0004172600000000 ] - [ 0.0021981900000000, -0.0018330800000000, 0.0011985900000000 ] - [ -0.0001703300000000, -0.0051149800000000, 0.0039631100000000 ] - [ 0.0001148000000000, 0.0070269200000000, 0.0043048400000000 ] - [ -0.0045075400000000, -0.0029430500000000, -0.0042514500000000 ] - [ -0.0252106500000000, 0.0168851900000000, -0.0171799900000000 ] - [ 0.0009286500000000, 0.0017590200000000, -0.0009524000000000 ] - [ -0.0005092000000000, -0.0016464100000000, -0.0005146500000000 ] - [ 0.0136493300000000, -0.0003321900000000, -0.0049256200000000 ] - [ 0.0002282300000000, 0.0001416000000000, 0.0006556600000000 ] - [ 0.0022041300000000, -0.0001428700000000, -0.0001630400000000 ] - [ 0.0034210900000000, 0.0001411400000000, -0.0006964100000000 ] - [ -0.0013813700000000, -0.0015363400000000, -0.0001759600000000 ] - [ -0.0004732000000000, 0.0021872300000000, -0.0014190800000000 ] - [ 0.0026612800000000, 0.0003106800000000, 0.0011420600000000 ] - [ 0.0021715800000000, -0.0002621700000000, 0.0010356000000000 ] - [ 0.0034565300000000, 0.0001800900000000, -0.0007345500000000 ] - [ 0.0021732100000000, -0.0001811300000000, -0.0004284700000000 ] - [ 0.0025685800000000, -0.0020099600000000, 0.0016867600000000 ] - [ 0.0027923900000000, 0.0015793800000000, 0.0014452400000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0023100500000000, -0.0004018200000000, -0.0012575200000000 ] - [ -0.0008962100000000, 0.0003248900000000, 0.0003743800000000 ] - [ -0.0004390600000000, 0.0011928500000000, 0.0008365200000000 ] - [ 0.0273890400000000, -0.0005459700000000, -0.0154451700000000 ] - [ 0.0211159100000000, 0.0044199800000000, -0.0140056200000000 ] - [ -0.0010636100000000, 0.0021301600000000, 0.0021999500000000 ] - [ 0.0030056600000000, 0.0024831900000000, 0.0003359800000000 ] - [ -0.0308033100000000, 0.0003377700000000, 0.0001457300000000 ] - [ -0.0000474900000000, 0.0003662400000000, 0.0001756500000000 ] - [ -0.0043942400000000, -0.0004958800000000, 0.0022854000000000 ] - [ -0.0020820400000000, -0.0034372300000000, -0.0016866500000000 ] - [ -0.0001836900000000, 0.0019974900000000, 0.0014121100000000 ] - [ -0.0053221500000000, 0.0279427700000000, -0.0250932700000000 ] - [ 0.0025578100000000, -0.0036227000000000, 0.0049148900000000 ] - [ -0.0042619200000000, -0.0148935100000000, -0.0139033100000000 ] - [ 0.0022891800000000, 0.0077152000000000, 0.0053142500000000 ] - [ 0.0002499200000000, 0.0001238000000000, 0.0003332100000000 ] - [ -0.0033583700000000, 0.0021013300000000, -0.0010062200000000 ] - [ 0.0522285100000000, -0.2018630900000000, 0.1404805600000000 ] - [ -0.0012131200000000, 0.0123071600000000, -0.0033438400000000 ] - [ -0.0002763600000000, -0.0004660900000000, -0.0004763300000000 ] - [ -0.0006695700000000, 0.0009869000000000, -0.0009703800000000 ] - [ -0.0000238400000000, -0.0004126100000000, -0.0005469200000000 ] - [ -0.0008665400000000, -0.0001002000000000, -0.0008453000000000 ] - [ 0.0016824600000000, 0.0021485200000000, -0.0011414500000000 ] - [ 0.0012126400000000, -0.0015899300000000, -0.0010823200000000 ] - [ 0.0010630300000000, -0.0011729200000000, 0.0021864800000000 ] - [ -0.0039450500000000, 0.0015941700000000, -0.0014607800000000 ] - [ 0.0019250600000000, 0.0015400500000000, -0.0014069500000000 ] - [ 0.0004699300000000, -0.0006813100000000, -0.0006599600000000 ] - [ -0.0031652300000000, -0.0116692200000000, -0.0031652600000000 ] - [ 0.0023111300000000, 0.0074137700000000, 0.0010511700000000 ] - [ 0.0013260700000000, -0.0015569200000000, 0.0019524700000000 ] - [ -0.0106551300000000, 0.0241940200000000, -0.0139883100000000 ] - [ 0.0006061100000000, -0.0026002200000000, -0.0008678800000000 ] - [ 0.0011095700000000, 0.0028475600000000, -0.0002942300000000 ] - [ 0.0057435700000000, 0.0367848800000000, 0.0118429000000000 ] - [ 0.0061264600000000, 0.0413324700000000, 0.0173976200000000 ] - [ 0.0014028600000000, -0.0061682900000000, 0.0050207400000000 ] - [ -0.0001603200000000, 0.0021416000000000, -0.0007364400000000 ] - [ 0.0016120200000000, 0.0015026800000000, 0.0012396100000000 ] - [ -0.0005057700000000, 0.0014894600000000, 0.0019665000000000 ] - [ -0.0031222400000000, 0.0008974300000000, 0.0007517200000000 ] - [ -0.0001976600000000, -0.0008528600000000, -0.0003416400000000 ] - [ -0.0008797200000000, -0.0002749100000000, 0.0002501500000000 ] - [ -0.0021189600000000, 0.0003339900000000, 0.0005351400000000 ] - [ -0.0013503300000000, 0.0003327500000000, 0.0004195500000000 ] - [ -0.0010999800000000, -0.0002943900000000, 0.0006364100000000 ] - [ -0.0037799600000000, -0.0004559300000000, 0.0008277400000000 ] - [ -0.0002046000000000, 0.0004462200000000, -0.0004135600000000 ] - [ -0.0277377600000000, 0.0035493900000000, 0.0048274000000000 ] - [ 0.0040924300000000, 0.0016010100000000, -0.0003292100000000 ] - [ -0.0009183800000000, 0.0008745400000000, 0.0014565400000000 ] - [ 0.0016053900000000, 0.0016075200000000, 0.0012710600000000 ] - [ 0.0001364400000000, -0.0009468400000000, 0.0004910900000000 ] - [ -0.0004361900000000, 0.0006912900000000, -0.0007197400000000 ] - [ 0.0000400100000000, 0.0002784800000000, -0.0000386400000000 ] - [ -0.0003317300000000, -0.0000343700000000, -0.0001965500000000 ] - [ 0.0017156700000000, -0.0064832600000000, 0.0054694100000000 ] - [ -0.0009164400000000, 0.0025690600000000, -0.0015886200000000 ] - [ -0.0004134400000000, -0.0000226900000000, 0.0001075400000000 ] - [ -0.0004262400000000, -0.0000242700000000, 0.0001723700000000 ] - [ -0.0005987100000000, 0.0007233300000000, -0.0018392000000000 ] - [ 0.0010209400000000, -0.0001548400000000, -0.0036359700000000 ] - [ 0.0000622900000000, -0.0024125200000000, -0.0036172200000000 ] - [ 0.0004752800000000, 0.0022819500000000, -0.0026626600000000 ] - [ -0.0004109100000000, -0.0001378100000000, -0.0004495500000000 ] - [ -0.0008390300000000, 0.0001383600000000, -0.0004641900000000 ] - [ -0.0008569400000000, 0.0004356000000000, -0.0000447500000000 ] - [ 0.0018875800000000, -0.0005764000000000, 0.0003379600000000 ] - [ -0.0001318500000000, -0.0005359400000000, -0.0001330700000000 ] - [ -0.0004962200000000, 0.0005108900000000, -0.0001937800000000 ] - [ -0.0005153100000000, -0.0002417600000000, 0.0000800400000000 ] - [ -0.0002426500000000, -0.0002488500000000, 0.0000567000000000 ] - [ -0.0001396600000000, -0.0003874700000000, 0.0001611200000000 ] - [ -0.0006130900000000, 0.0008614000000000, -0.0000024100000000 ] - [ -0.0004859300000000, 0.0000199500000000, -0.0001940200000000 ] - [ -0.0001081200000000, 0.0000629000000000, -0.0001506200000000 ] - [ -0.0006677200000000, -0.0007190200000000, -0.0002864300000000 ] - [ -0.0001490100000000, 0.0007722700000000, 0.0005662100000000 ] - [ -0.0023684900000000, 0.0025198200000000, -0.0017384700000000 ] - [ 0.0005001300000000, -0.0006101000000000, 0.0005224300000000 ] - [ -0.0015943300000000, -0.0027979800000000, -0.0017156400000000 ] - [ 0.0006069500000000, 0.0018110900000000, 0.0010765700000000 ] - [ -0.0026538100000000, 0.0075947100000000, -0.0088319500000000 ] - [ 0.0078003100000000, -0.0141410300000000, -0.0017144600000000 ] - [ -0.0036461800000000, -0.0053658500000000, 0.0010947900000000 ] - [ -0.0013517200000000, 0.0047825200000000, -0.0010893800000000 ] - [ 0.0015998300000000, -0.0007727300000000, -0.0002500300000000 ] - [ 0.0000850900000000, 0.0007908300000000, -0.0009293800000000 ] - [ 0.0004651200000000, 0.0004932100000000, 0.0007616100000000 ] - [ 0.0002116700000000, -0.0004807600000000, 0.0004356200000000 ] - [ -0.0015915400000000, 0.0023015400000000, 0.0028364900000000 ] - [ -0.0024406300000000, -0.0028252300000000, 0.0022669200000000 ] - [ -0.0001620700000000, -0.0017047200000000, 0.0007874100000000 ] - [ 0.0021893300000000, 0.0022273200000000, 0.0029709000000000 ] - [ 0.0003322000000000, -0.0003352900000000, -0.0000349500000000 ] - [ 0.0002547000000000, 0.0003343400000000, 0.0000254000000000 ] - [ 0.0008924400000000, 0.0008593800000000, 0.0005282500000000 ] - [ 0.0002509300000000, -0.0009592800000000, 0.0005373800000000 ] - [ -0.0016656500000000, -0.0037521800000000, -0.0012312600000000 ] - [ 0.0158058200000000, 0.0039499000000000, -0.0081495900000000 ] - [ -0.0091067500000000, 0.0168607500000000, -0.0002948200000000 ] - [ -0.0086569100000000, -0.0229961400000000, -0.0185305200000000 ] - [ -0.0004201200000000, 0.0024196200000000, 0.0014674200000000 ] - [ 0.0040507900000000, -0.0028347700000000, 0.0005644400000000 ] - [ 0.0029743000000000, -0.0131832300000000, 0.0076480300000000 ] - [ 0.0012587200000000, 0.0124880200000000, 0.0072335300000000 ] - [ -0.0062693600000000, -0.0243512500000000, -0.0128741200000000 ] - [ -0.0188741100000000, 0.0958518500000000, -0.0682933000000000 ] - [ -0.0145487400000000, 0.0045033500000000, 0.0006303500000000 ] - [ 0.0014312500000000, -0.0037325800000000, -0.0015108600000000 ] - [ 0.0168035100000000, 0.0038090400000000, -0.0088507100000000 ] - [ -0.0032938000000000, -0.0033981600000000, -0.0001191300000000 ] - [ 0.0008823700000000, -0.0010242000000000, -0.0004079800000000 ] - [ 0.0027914100000000, 0.0010221200000000, -0.0013149900000000 ] - [ 0.0012445900000000, -0.0028529700000000, 0.0007623400000000 ] - [ -0.0182125100000000, 0.0040648800000000, 0.0040267300000000 ] - [ -0.0003226200000000, 0.0006642200000000, 0.0007653100000000 ] - [ 0.0022560300000000, -0.0006271800000000, 0.0014731300000000 ] - [ 0.0021754300000000, 0.0008371900000000, -0.0008533700000000 ] - [ 0.0012935500000000, -0.0008184600000000, -0.0007677600000000 ] - [ 0.0036264300000000, -0.0030944300000000, 0.0007752500000000 ] - [ 0.0011452600000000, 0.0025476300000000, 0.0011140800000000 ]- atom: 19 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0025091400000000, 0.0004070600000000, 0.0014524300000000 ] - [ 0.0007040700000000, -0.0003280000000000, -0.0001821800000000 ] - [ 0.0006561100000000, -0.0011886400000000, -0.0010424500000000 ] - [ -0.0271611000000000, 0.0004303600000000, 0.0153132900000000 ] - [ -0.0205227800000000, -0.0043728400000000, 0.0147859000000000 ] - [ 0.0017876900000000, -0.0021411200000000, -0.0014910900000000 ] - [ -0.0038062300000000, -0.0024738700000000, -0.0010318200000000 ] - [ 0.0300003400000000, -0.0004604100000000, -0.0007620700000000 ] - [ 0.0000477500000000, -0.0003650400000000, -0.0001757400000000 ] - [ 0.0044056900000000, 0.0004931900000000, -0.0022876600000000 ] - [ 0.0017125900000000, 0.0030090300000000, 0.0017066700000000 ] - [ -0.0002033600000000, -0.0024303300000000, -0.0013967300000000 ] - [ 0.0057180600000000, -0.0286276800000000, 0.0252551000000000 ] - [ -0.0021662500000000, 0.0031292200000000, -0.0049027000000000 ] - [ 0.0046099500000000, 0.0154424400000000, 0.0138264600000000 ] - [ -0.0019060500000000, -0.0072815500000000, -0.0053140000000000 ] - [ -0.0006305000000000, 0.0003196300000000, -0.0003196700000000 ] - [ 0.0029893600000000, -0.0016871700000000, 0.0010363100000000 ] - [ -0.0518769200000000, 0.1986485300000000, -0.1372935300000000 ] - [ 0.0010698300000000, -0.0126514100000000, 0.0038114700000000 ] - [ 0.0002837000000000, 0.0010578300000000, 0.0004796600000000 ] - [ 0.0006702600000000, -0.0003981200000000, 0.0009701500000000 ] - [ 0.0000286000000000, -0.0001734200000000, 0.0005543900000000 ] - [ 0.0008699400000000, -0.0004947900000000, 0.0008485500000000 ] - [ -0.0018135600000000, -0.0021517000000000, 0.0007792400000000 ] - [ -0.0013442700000000, 0.0015861600000000, 0.0007065700000000 ] - [ -0.0009191700000000, 0.0011859500000000, -0.0018031300000000 ] - [ 0.0040432200000000, -0.0015977100000000, 0.0018197000000000 ] - [ -0.0016954800000000, -0.0019960400000000, 0.0013469500000000 ] - [ -0.0002205900000000, 0.0001966800000000, 0.0005836400000000 ] - [ 0.0030295000000000, 0.0111953400000000, 0.0034248100000000 ] - [ -0.0025630000000000, -0.0078900700000000, -0.0009855900000000 ] - [ -0.0015902200000000, 0.0020725400000000, -0.0018934900000000 ] - [ 0.0103547700000000, -0.0235664900000000, 0.0139390900000000 ] - [ -0.0003610700000000, 0.0030799400000000, 0.0007980400000000 ] - [ -0.0008764900000000, -0.0023935900000000, 0.0002231100000000 ] - [ -0.0059390300000000, -0.0369798200000000, -0.0114938300000000 ] - [ -0.0062235100000000, -0.0405695700000000, -0.0167971600000000 ] - [ -0.0012538400000000, 0.0065204300000000, -0.0054897000000000 ] - [ 0.0003030500000000, -0.0018170200000000, 0.0002895900000000 ] - [ -0.0014665000000000, -0.0018231700000000, -0.0016928100000000 ] - [ 0.0006533600000000, -0.0018364500000000, -0.0024295400000000 ] - [ 0.0029524700000000, -0.0008990900000000, -0.0005671700000000 ] - [ -0.0000072100000000, 0.0008517400000000, 0.0005345200000000 ] - [ 0.0010908000000000, 0.0002767800000000, -0.0004471300000000 ] - [ 0.0023183700000000, -0.0003359200000000, -0.0007273800000000 ] - [ 0.0021189100000000, -0.0003328100000000, 0.0002751400000000 ] - [ 0.0018587800000000, 0.0002943600000000, 0.0000582900000000 ] - [ 0.0030458200000000, 0.0004600800000000, -0.0015295500000000 ] - [ -0.0005424900000000, -0.0004487800000000, -0.0002837700000000 ] - [ 0.0279701500000000, -0.0034933600000000, -0.0049064500000000 ] - [ -0.0040635800000000, -0.0016080200000000, 0.0003214300000000 ] - [ 0.0005407200000000, -0.0012993500000000, -0.0014385800000000 ] - [ -0.0019975800000000, -0.0020561200000000, -0.0012654300000000 ] - [ 0.0002493400000000, 0.0005156200000000, -0.0005107200000000 ] - [ 0.0008216500000000, -0.0011240200000000, 0.0007006700000000 ] - [ 0.0003455300000000, 0.0001565400000000, 0.0000246300000000 ] - [ 0.0007156000000000, 0.0004637700000000, 0.0001782600000000 ] - [ -0.0021268500000000, 0.0069485800000000, -0.0054706000000000 ] - [ 0.0005407400000000, -0.0021476600000000, 0.0016150800000000 ] - [ 0.0002714700000000, -0.0003069500000000, 0.0003427200000000 ] - [ 0.0002838900000000, -0.0003081500000000, 0.0002789800000000 ] - [ 0.0005982500000000, -0.0001244800000000, 0.0018509000000000 ] - [ -0.0010278800000000, 0.0007400600000000, 0.0036513000000000 ] - [ -0.0000707100000000, 0.0018196700000000, 0.0036241300000000 ] - [ -0.0004753800000000, -0.0028823900000000, 0.0026804500000000 ] - [ 0.0002998200000000, 0.0001391000000000, 0.0000813900000000 ] - [ 0.0007266400000000, -0.0001392400000000, 0.0000943700000000 ] - [ 0.0009805600000000, -0.0004354500000000, 0.0004157000000000 ] - [ -0.0017745200000000, 0.0005760100000000, 0.0000308200000000 ] - [ 0.0003728000000000, 0.0000763300000000, 0.0000642500000000 ] - [ 0.0007414000000000, -0.0009765100000000, 0.0001257500000000 ] - [ 0.0002780400000000, -0.0002178200000000, -0.0000071900000000 ] - [ 0.0000023900000000, -0.0002142200000000, 0.0000166200000000 ] - [ -0.0000986000000000, 0.0008509600000000, -0.0000928700000000 ] - [ 0.0003757800000000, -0.0004021200000000, 0.0000718900000000 ] - [ 0.0007313800000000, 0.0004455300000000, 0.0001229200000000 ] - [ 0.0003491200000000, 0.0003974000000000, 0.0000784800000000 ] - [ 0.0005255400000000, 0.0010524400000000, 0.0007426000000000 ] - [ 0.0000051600000000, -0.0004436100000000, -0.0001127400000000 ] - [ 0.0025221300000000, -0.0021993500000000, 0.0012957300000000 ] - [ -0.0003537400000000, 0.0009343100000000, -0.0009695200000000 ] - [ 0.0017435800000000, 0.0024824800000000, 0.0012678000000000 ] - [ -0.0004588100000000, -0.0021456800000000, -0.0015333800000000 ] - [ 0.0036013800000000, -0.0077734500000000, 0.0080493600000000 ] - [ -0.0067040700000000, 0.0141671800000000, 0.0010083100000000 ] - [ 0.0026202600000000, 0.0053677900000000, -0.0003791700000000 ] - [ 0.0002756500000000, -0.0047599300000000, 0.0018724300000000 ] - [ -0.0005516300000000, 0.0007743000000000, -0.0004739100000000 ] - [ 0.0009743900000000, -0.0007906100000000, 0.0002076900000000 ] - [ -0.0015271400000000, -0.0004979500000000, -0.0000413600000000 ] - [ -0.0012717400000000, 0.0004857000000000, 0.0002861300000000 ] - [ 0.0010878300000000, -0.0023316600000000, -0.0032534800000000 ] - [ 0.0019187500000000, 0.0028434200000000, -0.0026531700000000 ] - [ 0.0006905100000000, 0.0016932500000000, -0.0003985200000000 ] - [ -0.0016828200000000, -0.0022076300000000, -0.0025899000000000 ] - [ -0.0008611100000000, 0.0003346100000000, -0.0003544800000000 ] - [ -0.0007824900000000, -0.0003331500000000, -0.0004151600000000 ] - [ -0.0003678600000000, -0.0008671500000000, -0.0001407800000000 ] - [ 0.0002712900000000, 0.0009672300000000, -0.0001497800000000 ] - [ 0.0023978200000000, 0.0037393400000000, 0.0019131300000000 ] - [ -0.0151527200000000, -0.0039318900000000, 0.0088469300000000 ] - [ 0.0094905800000000, -0.0186688100000000, 0.0017880900000000 ] - [ 0.0078930500000000, 0.0229834000000000, 0.0177046900000000 ] - [ -0.0005748800000000, -0.0024315800000000, -0.0017830100000000 ] - [ -0.0050062800000000, 0.0028514500000000, -0.0008899600000000 ] - [ -0.0020353300000000, 0.0132184000000000, -0.0073955400000000 ] - [ -0.0002819300000000, -0.0124483500000000, -0.0069283600000000 ] - [ 0.0061189900000000, 0.0244491300000000, 0.0119023900000000 ] - [ 0.0170918200000000, -0.0909390400000000, 0.0619324300000000 ] - [ 0.0147877200000000, -0.0045534300000000, 0.0004765800000000 ] - [ -0.0012091900000000, 0.0037688700000000, 0.0025932800000000 ] - [ -0.0161499800000000, -0.0038469400000000, 0.0095823300000000 ] - [ 0.0039863000000000, 0.0034245200000000, 0.0008157200000000 ] - [ -0.0016039000000000, 0.0010239000000000, -0.0002749900000000 ] - [ -0.0035166500000000, -0.0010205300000000, 0.0006340200000000 ] - [ -0.0022259600000000, 0.0028517000000000, -0.0010822100000000 ] - [ 0.0173502800000000, -0.0040574500000000, -0.0043702200000000 ] - [ 0.0012723800000000, -0.0006685600000000, -0.0004577900000000 ] - [ -0.0013040600000000, 0.0006320700000000, -0.0011576400000000 ] - [ -0.0023999300000000, -0.0008419200000000, -0.0002329400000000 ] - [ -0.0015076900000000, 0.0008233100000000, -0.0003208000000000 ] - [ -0.0034469900000000, 0.0031008500000000, 0.0003120600000000 ] - [ -0.0009329400000000, -0.0025493800000000, -0.0000309700000000 ]- atom: 19 displacement: [ -0.0011848924261905, 0.0000000000000000, 0.0099295533604667 ] forces: - [ -0.0031540700000000, 0.0002316400000000, 0.0019423500000000 ] - [ -0.0002179000000000, -0.0001141400000000, 0.0001204500000000 ] - [ -0.0013597200000000, -0.0003174700000000, 0.0000576300000000 ] - [ -0.0248314300000000, -0.0054755300000000, 0.0150451900000000 ] - [ -0.0221622000000000, -0.0106413400000000, 0.0151065200000000 ] - [ 0.0006116800000000, -0.0006975700000000, -0.0009563400000000 ] - [ -0.0014506800000000, -0.0005360200000000, -0.0014015400000000 ] - [ 0.0199189600000000, -0.0009746100000000, -0.0048157600000000 ] - [ 0.0004366600000000, -0.0001957300000000, -0.0004749700000000 ] - [ 0.0029712600000000, 0.0003015700000000, -0.0017488800000000 ] - [ 0.0016711000000000, 0.0009944000000000, 0.0003615900000000 ] - [ 0.0000418500000000, -0.0014498600000000, -0.0009423500000000 ] - [ 0.0047724200000000, -0.0217335300000000, 0.0234348700000000 ] - [ -0.0016291100000000, 0.0041094700000000, -0.0037159100000000 ] - [ 0.0111029000000000, 0.0118970300000000, 0.0263420200000000 ] - [ -0.0012472900000000, -0.0043811100000000, -0.0034971300000000 ] - [ 0.0001539200000000, 0.0010230100000000, -0.0008381100000000 ] - [ 0.0018849600000000, -0.0009321900000000, 0.0004005900000000 ] - [ -0.0378751300000000, 0.1306510200000000, -0.1558112900000000 ] - [ -0.0003203300000000, -0.0035896500000000, 0.0002305000000000 ] - [ 0.0007647900000000, 0.0007472600000000, 0.0009752400000000 ] - [ 0.0005587900000000, -0.0000605600000000, 0.0008079800000000 ] - [ 0.0005403600000000, -0.0001002000000000, 0.0010476700000000 ] - [ 0.0008312300000000, -0.0006645000000000, 0.0007528400000000 ] - [ -0.0015596800000000, -0.0016466300000000, 0.0008826900000000 ] - [ -0.0013287900000000, 0.0012715600000000, 0.0021586100000000 ] - [ 0.0029301600000000, 0.0013470600000000, 0.0013996700000000 ] - [ 0.0027942500000000, -0.0010778000000000, 0.0012501600000000 ] - [ -0.0020056100000000, -0.0023014700000000, 0.0020882000000000 ] - [ -0.0012496500000000, 0.0012549200000000, 0.0014320000000000 ] - [ 0.0124590700000000, 0.0058755000000000, 0.0181256500000000 ] - [ -0.0016294600000000, -0.0040901600000000, -0.0003881000000000 ] - [ -0.0019279300000000, 0.0038479400000000, -0.0005033200000000 ] - [ 0.0066683300000000, -0.0150107000000000, 0.0120876000000000 ] - [ -0.0012632800000000, 0.0013391000000000, 0.0023149600000000 ] - [ -0.0008921700000000, -0.0015510900000000, 0.0004019300000000 ] - [ -0.0039380800000000, -0.0107283500000000, -0.0106556400000000 ] - [ -0.0052486700000000, -0.0161437000000000, -0.0179457600000000 ] - [ -0.0016469000000000, 0.0052447600000000, -0.0052634400000000 ] - [ -0.0000599200000000, -0.0003185500000000, -0.0007507200000000 ] - [ -0.0014819200000000, -0.0024223700000000, -0.0026565400000000 ] - [ 0.0000153300000000, -0.0014419700000000, -0.0024749900000000 ] - [ 0.0028102300000000, -0.0006646300000000, -0.0005355200000000 ] - [ 0.0020512300000000, 0.0009098700000000, 0.0000537400000000 ] - [ 0.0019584000000000, 0.0001905000000000, -0.0007484300000000 ] - [ 0.0018338300000000, -0.0002087800000000, -0.0006097300000000 ] - [ 0.0018702500000000, -0.0001869600000000, 0.0002273900000000 ] - [ 0.0019252700000000, 0.0001764400000000, 0.0001006500000000 ] - [ 0.0020643500000000, 0.0003152900000000, -0.0012281200000000 ] - [ -0.0002498000000000, -0.0002992000000000, -0.0004221900000000 ] - [ 0.0174502700000000, -0.0020670000000000, -0.0083048700000000 ] - [ -0.0017062500000000, -0.0007304400000000, -0.0003311800000000 ] - [ 0.0001063100000000, -0.0009038300000000, -0.0010482800000000 ] - [ -0.0016480700000000, -0.0018947900000000, -0.0012643900000000 ] - [ 0.0003312000000000, 0.0001264200000000, -0.0001714000000000 ] - [ 0.0006368000000000, -0.0007324200000000, 0.0004146100000000 ] - [ 0.0003847400000000, 0.0002487400000000, 0.0001194900000000 ] - [ 0.0005887900000000, 0.0003699800000000, 0.0001407900000000 ] - [ -0.0021042300000000, 0.0050671300000000, -0.0040373900000000 ] - [ 0.0002149300000000, -0.0010946900000000, 0.0008715500000000 ] - [ 0.0002104100000000, -0.0001760900000000, 0.0002215100000000 ] - [ 0.0001996800000000, -0.0002403500000000, 0.0002195600000000 ] - [ 0.0004433000000000, 0.0000014300000000, 0.0024171600000000 ] - [ -0.0006957200000000, 0.0009957800000000, 0.0051575300000000 ] - [ 0.0002801100000000, 0.0013158100000000, 0.0057620700000000 ] - [ -0.0002863300000000, -0.0019421500000000, 0.0025958100000000 ] - [ 0.0003785100000000, 0.0000724100000000, 0.0001574400000000 ] - [ 0.0006132100000000, -0.0000736500000000, 0.0000996500000000 ] - [ 0.0006415600000000, -0.0002628800000000, 0.0004499700000000 ] - [ -0.0013081700000000, 0.0003415900000000, 0.0003103800000000 ] - [ 0.0005503900000000, -0.0001898900000000, 0.0000400400000000 ] - [ 0.0006480600000000, -0.0007122200000000, 0.0000722100000000 ] - [ 0.0002702800000000, -0.0001659300000000, 0.0000303600000000 ] - [ 0.0000088700000000, -0.0002575300000000, 0.0000345100000000 ] - [ 0.0000006000000000, 0.0005800800000000, -0.0000291000000000 ] - [ 0.0002660300000000, -0.0001512000000000, 0.0000653700000000 ] - [ 0.0006537500000000, 0.0003888600000000, 0.0000600400000000 ] - [ 0.0005248200000000, 0.0004866100000000, 0.0000601600000000 ] - [ 0.0003571100000000, 0.0006054600000000, 0.0004355200000000 ] - [ 0.0000462100000000, -0.0001825300000000, 0.0000174300000000 ] - [ 0.0015584100000000, -0.0010540600000000, 0.0005020400000000 ] - [ -0.0000597300000000, 0.0008564200000000, -0.0009459000000000 ] - [ 0.0012314500000000, 0.0011198400000000, 0.0003302800000000 ] - [ -0.0001620200000000, -0.0013982400000000, -0.0011264000000000 ] - [ -0.0061368500000000, -0.0121498300000000, 0.0027542400000000 ] - [ -0.0040576000000000, 0.0089429600000000, 0.0009932000000000 ] - [ 0.0019845000000000, 0.0047583000000000, -0.0002000700000000 ] - [ 0.0030640600000000, -0.0043573800000000, -0.0026580800000000 ] - [ -0.0002596100000000, 0.0004148800000000, -0.0004588000000000 ] - [ 0.0008603300000000, -0.0003817800000000, 0.0000418700000000 ] - [ -0.0014748600000000, -0.0002026300000000, 0.0000911300000000 ] - [ -0.0012506500000000, 0.0002023600000000, 0.0002785700000000 ] - [ 0.0027562900000000, -0.0019279400000000, -0.0061789500000000 ] - [ 0.0013755800000000, 0.0017631000000000, -0.0027043200000000 ] - [ 0.0004162800000000, 0.0002544100000000, -0.0010062600000000 ] - [ -0.0020701300000000, 0.0002091400000000, -0.0027800100000000 ] - [ -0.0008647800000000, 0.0001281300000000, -0.0003910100000000 ] - [ -0.0008452900000000, -0.0001313300000000, -0.0004632900000000 ] - [ -0.0004719400000000, -0.0004647000000000, -0.0004464400000000 ] - [ 0.0000940600000000, 0.0005706600000000, -0.0002357300000000 ] - [ 0.0008053600000000, 0.0018061400000000, 0.0037991100000000 ] - [ -0.0094789500000000, -0.0021359900000000, 0.0087321000000000 ] - [ 0.0069501800000000, -0.0067373700000000, 0.0152296800000000 ] - [ 0.0045286000000000, 0.0091623500000000, 0.0119983100000000 ] - [ -0.0041306200000000, -0.0015330800000000, -0.0007390100000000 ] - [ -0.0038073200000000, 0.0017367900000000, -0.0007032700000000 ] - [ -0.0024051400000000, 0.0105868800000000, -0.0069828300000000 ] - [ -0.0035634400000000, -0.0160637300000000, -0.0120136700000000 ] - [ 0.0042814700000000, 0.0071194900000000, 0.0062733400000000 ] - [ 0.0133452600000000, -0.0595445400000000, 0.0698695500000000 ] - [ 0.0166504800000000, -0.0023254500000000, 0.0008169900000000 ] - [ 0.0006375800000000, 0.0013453700000000, 0.0028278100000000 ] - [ -0.0099472400000000, -0.0025606400000000, 0.0075868900000000 ] - [ 0.0020259100000000, 0.0021789100000000, 0.0017142200000000 ] - [ -0.0016046900000000, 0.0005013700000000, -0.0000821700000000 ] - [ -0.0027369800000000, -0.0005188400000000, 0.0004482800000000 ] - [ -0.0003706300000000, 0.0016387600000000, -0.0019223600000000 ] - [ 0.0164814300000000, -0.0026454900000000, -0.0060745400000000 ] - [ 0.0011711600000000, -0.0004243400000000, -0.0015415200000000 ] - [ -0.0004941700000000, 0.0004238900000000, -0.0011680800000000 ] - [ -0.0022827300000000, -0.0005141100000000, -0.0000952400000000 ] - [ -0.0013419100000000, 0.0004969000000000, -0.0003064300000000 ] - [ -0.0029641000000000, 0.0018243400000000, 0.0007699200000000 ] - [ -0.0024060500000000, -0.0015646300000000, 0.0008364000000000 ]- atom: 19 displacement: [ 0.0011848924261905, 0.0000000000000000, -0.0099295533604667 ] forces: - [ 0.0029396200000000, -0.0002295500000000, -0.0017410000000000 ] - [ 0.0000232500000000, 0.0001136500000000, 0.0000706000000000 ] - [ 0.0015409600000000, 0.0003174200000000, -0.0002448600000000 ] - [ 0.0250733600000000, 0.0055359200000000, -0.0152692700000000 ] - [ 0.0226460800000000, 0.0104829200000000, -0.0142670200000000 ] - [ 0.0001415800000000, 0.0006934600000000, 0.0016441300000000 ] - [ 0.0006975000000000, 0.0005375200000000, 0.0007010800000000 ] - [ -0.0206056800000000, 0.0008971700000000, 0.0041909200000000 ] - [ -0.0004322400000000, 0.0001949300000000, 0.0004713700000000 ] - [ -0.0029559900000000, -0.0003008200000000, 0.0017405100000000 ] - [ -0.0020441900000000, -0.0014195800000000, -0.0003429300000000 ] - [ -0.0004216500000000, 0.0010143900000000, 0.0009554900000000 ] - [ -0.0043965200000000, 0.0212433200000000, -0.0233097500000000 ] - [ 0.0019889500000000, -0.0045014600000000, 0.0036465900000000 ] - [ -0.0105259500000000, -0.0113220400000000, -0.0259789700000000 ] - [ 0.0016240400000000, 0.0047980900000000, 0.0034690700000000 ] - [ -0.0005313700000000, -0.0005890500000000, 0.0008561600000000 ] - [ -0.0022496400000000, 0.0013519900000000, -0.0003759500000000 ] - [ 0.0380762000000000, -0.1327857000000000, 0.1571484400000000 ] - [ 0.0001725300000000, 0.0032426400000000, 0.0002152500000000 ] - [ -0.0007592900000000, -0.0001574000000000, -0.0009712100000000 ] - [ -0.0005547700000000, 0.0006482400000000, -0.0008043400000000 ] - [ -0.0005372700000000, -0.0004882400000000, -0.0010398600000000 ] - [ -0.0008280900000000, 0.0000754400000000, -0.0007462200000000 ] - [ 0.0014414300000000, 0.0016390500000000, -0.0012494300000000 ] - [ 0.0011974700000000, -0.0012627600000000, -0.0025234700000000 ] - [ -0.0027993800000000, -0.0013524900000000, -0.0010020300000000 ] - [ -0.0026658900000000, 0.0010721700000000, -0.0008737300000000 ] - [ 0.0022276600000000, 0.0018203800000000, -0.0021362500000000 ] - [ 0.0014819900000000, -0.0017075100000000, -0.0014974200000000 ] - [ -0.0128416200000000, -0.0063606500000000, -0.0183099100000000 ] - [ 0.0013834500000000, 0.0036098100000000, 0.0004617800000000 ] - [ 0.0016750500000000, -0.0033843400000000, 0.0005798900000000 ] - [ -0.0068957800000000, 0.0154361500000000, -0.0120852900000000 ] - [ 0.0014989200000000, -0.0008706400000000, -0.0023871600000000 ] - [ 0.0011262200000000, 0.0020020800000000, -0.0004729400000000 ] - [ 0.0037630500000000, 0.0110596300000000, 0.0110430500000000 ] - [ 0.0051307600000000, 0.0163482500000000, 0.0184883500000000 ] - [ 0.0017831200000000, -0.0048756400000000, 0.0047739600000000 ] - [ 0.0002044300000000, 0.0006464900000000, 0.0002967700000000 ] - [ 0.0016195400000000, 0.0020791500000000, 0.0021834300000000 ] - [ 0.0001307900000000, 0.0011042500000000, 0.0020088600000000 ] - [ -0.0029946800000000, 0.0006624100000000, 0.0007239900000000 ] - [ -0.0022169100000000, -0.0009031900000000, 0.0001253300000000 ] - [ -0.0017521700000000, -0.0001905800000000, 0.0005534000000000 ] - [ -0.0016262400000000, 0.0002074200000000, 0.0004148800000000 ] - [ -0.0011090500000000, 0.0001862900000000, 0.0004664700000000 ] - [ -0.0011609200000000, -0.0001760800000000, 0.0005929700000000 ] - [ -0.0028069900000000, -0.0003152800000000, 0.0005292800000000 ] - [ -0.0005005400000000, 0.0002997100000000, -0.0002733500000000 ] - [ -0.0173981100000000, 0.0021156200000000, 0.0082090500000000 ] - [ 0.0016946800000000, 0.0007274600000000, 0.0003294100000000 ] - [ -0.0004888400000000, 0.0004701600000000, 0.0010619800000000 ] - [ 0.0012690000000000, 0.0014709800000000, 0.0012919400000000 ] - [ 0.0000523900000000, -0.0005553700000000, 0.0001494800000000 ] - [ -0.0002520600000000, 0.0002998600000000, -0.0004338200000000 ] - [ -0.0000021600000000, 0.0001811000000000, -0.0001370400000000 ] - [ -0.0002043900000000, 0.0000614000000000, -0.0001577500000000 ] - [ 0.0017041400000000, -0.0046355600000000, 0.0040672700000000 ] - [ -0.0005966500000000, 0.0015230000000000, -0.0008491900000000 ] - [ -0.0003527900000000, -0.0001551300000000, 0.0002293800000000 ] - [ -0.0003423000000000, -0.0000892100000000, 0.0002301400000000 ] - [ -0.0004405000000000, 0.0005814600000000, -0.0024074800000000 ] - [ 0.0006939900000000, -0.0003919400000000, -0.0051409900000000 ] - [ -0.0002742600000000, -0.0019003200000000, -0.0057128100000000 ] - [ 0.0002859400000000, 0.0013517000000000, -0.0025941700000000 ] - [ -0.0004912800000000, -0.0000724200000000, -0.0005274400000000 ] - [ -0.0007246700000000, 0.0000736700000000, -0.0004704500000000 ] - [ -0.0005246000000000, 0.0002618700000000, -0.0000780500000000 ] - [ 0.0014256700000000, -0.0003407300000000, 0.0000631700000000 ] - [ -0.0003059400000000, -0.0002728800000000, -0.0001108000000000 ] - [ -0.0004051700000000, 0.0002495000000000, -0.0001422300000000 ] - [ -0.0005092500000000, -0.0002964300000000, 0.0000435300000000 ] - [ -0.0002477500000000, -0.0002035000000000, 0.0000400400000000 ] - [ -0.0002385100000000, -0.0001184400000000, 0.0000990800000000 ] - [ -0.0005045100000000, 0.0006118600000000, 0.0000053000000000 ] - [ -0.0004103200000000, 0.0000727700000000, -0.0001339900000000 ] - [ -0.0002797600000000, -0.0000223600000000, -0.0001341300000000 ] - [ -0.0004996300000000, -0.0002740200000000, 0.0000199400000000 ] - [ -0.0001901100000000, 0.0005110500000000, 0.0004359600000000 ] - [ -0.0014118500000000, 0.0013804200000000, -0.0009486900000000 ] - [ 0.0002038000000000, -0.0005227000000000, 0.0004917600000000 ] - [ -0.0010840400000000, -0.0014483700000000, -0.0007855600000000 ] - [ 0.0003073300000000, 0.0010658900000000, 0.0006699800000000 ] - [ 0.0071442500000000, 0.0121121400000000, -0.0035881500000000 ] - [ 0.0050911800000000, -0.0088995800000000, -0.0017023100000000 ] - [ -0.0030323800000000, -0.0047262700000000, 0.0009190700000000 ] - [ -0.0041063400000000, 0.0043410500000000, 0.0034028500000000 ] - [ 0.0013131700000000, -0.0004132500000000, -0.0002654900000000 ] - [ 0.0001934900000000, 0.0003812700000000, -0.0007665200000000 ] - [ 0.0004139000000000, 0.0002031600000000, 0.0006315600000000 ] - [ 0.0001902100000000, -0.0002031900000000, 0.0004443500000000 ] - [ -0.0032695200000000, 0.0019338100000000, 0.0057658800000000 ] - [ -0.0018882800000000, -0.0017620600000000, 0.0023057300000000 ] - [ 0.0001090300000000, -0.0002540900000000, 0.0013868900000000 ] - [ 0.0025960800000000, -0.0002154400000000, 0.0031536900000000 ] - [ 0.0003368800000000, -0.0001275700000000, 0.0000013500000000 ] - [ 0.0003170700000000, 0.0001307800000000, 0.0000731300000000 ] - [ 0.0009900100000000, 0.0004665500000000, 0.0008305600000000 ] - [ 0.0004266500000000, -0.0005720900000000, 0.0006224700000000 ] - [ -0.0000981600000000, -0.0017981700000000, -0.0030953300000000 ] - [ 0.0101246100000000, 0.0021245300000000, -0.0080037400000000 ] - [ -0.0068923700000000, 0.0051759700000000, -0.0151122300000000 ] - [ -0.0052053900000000, -0.0091245400000000, -0.0126032900000000 ] - [ 0.0031466300000000, 0.0015278300000000, 0.0004181400000000 ] - [ 0.0028291100000000, -0.0017258300000000, 0.0003786300000000 ] - [ 0.0033481000000000, -0.0105474500000000, 0.0072819600000000 ] - [ 0.0044920500000000, 0.0159149000000000, 0.0122637400000000 ] - [ -0.0044726600000000, -0.0070973200000000, -0.0073516900000000 ] - [ -0.0145700100000000, 0.0631926800000000, -0.0728820800000000 ] - [ -0.0163428200000000, 0.0022932400000000, 0.0002984000000000 ] - [ -0.0004283800000000, -0.0013357600000000, -0.0017239100000000 ] - [ 0.0106425300000000, 0.0025569400000000, -0.0068903800000000 ] - [ -0.0013067300000000, -0.0021801900000000, -0.0010344700000000 ] - [ 0.0008866900000000, -0.0004988500000000, -0.0005986600000000 ] - [ 0.0020116600000000, 0.0005162500000000, -0.0011259800000000 ] - [ -0.0005792400000000, -0.0016305100000000, 0.0015970400000000 ] - [ -0.0174216100000000, 0.0026465500000000, 0.0057096300000000 ] - [ -0.0002074900000000, 0.0004221700000000, 0.0018481900000000 ] - [ 0.0014460000000000, -0.0004230700000000, 0.0014785900000000 ] - [ 0.0020634400000000, 0.0005133700000000, -0.0009938400000000 ] - [ 0.0011251900000000, -0.0004968900000000, -0.0007822200000000 ] - [ 0.0031605300000000, -0.0018201200000000, 0.0003216900000000 ] - [ 0.0025902700000000, 0.0015613400000000, 0.0002642400000000 ]- atom: 21 displacement: [ 0.0099999983100469, 0.0000000000000000, 0.0000058136957938 ] forces: - [ -0.0036297900000000, -0.0054100600000000, -0.0060677900000000 ] - [ -0.0019637400000000, 0.0001621800000000, 0.0005344500000000 ] - [ 0.0020663700000000, -0.0002074800000000, -0.0006257200000000 ] - [ 0.0023512900000000, 0.0000991300000000, -0.0007444100000000 ] - [ 0.0016191500000000, -0.0003120300000000, 0.0000713200000000 ] - [ 0.0009213800000000, 0.0002594100000000, 0.0001182800000000 ] - [ -0.0004059200000000, -0.0006252600000000, 0.0001682800000000 ] - [ -0.0002346300000000, 0.0004256300000000, 0.0007378300000000 ] - [ -0.0027510800000000, 0.0000031200000000, 0.0012929400000000 ] - [ -0.0038181600000000, -0.0000014100000000, 0.0016897900000000 ] - [ -0.0017820800000000, 0.0007649800000000, 0.0070976700000000 ] - [ -0.0009077400000000, -0.0003071400000000, -0.0001515200000000 ] - [ 0.0008403400000000, -0.0007639300000000, 0.0005040400000000 ] - [ 0.0008348600000000, -0.0005522200000000, 0.0003828100000000 ] - [ 0.0009186300000000, 0.0006678700000000, 0.0004683500000000 ] - [ 0.0007528300000000, 0.0006438000000000, 0.0004155900000000 ] - [ 0.0013173300000000, 0.0007582000000000, -0.0005093800000000 ] - [ -0.0013985300000000, 0.0016856600000000, -0.0002332300000000 ] - [ 0.0007841100000000, -0.0004464200000000, 0.0010985200000000 ] - [ 0.0004742200000000, -0.0008346200000000, 0.0008520600000000 ] - [ -0.0595665700000000, -0.0002525600000000, -0.0175774300000000 ] - [ -0.0006960400000000, 0.0003052400000000, -0.0007892500000000 ] - [ -0.0104555300000000, -0.0001736300000000, -0.0007795700000000 ] - [ -0.0029648100000000, -0.0002960400000000, -0.0007737400000000 ] - [ 0.0006339600000000, -0.0000834600000000, -0.0001256200000000 ] - [ 0.0011383400000000, 0.0000811200000000, -0.0000355700000000 ] - [ 0.0104989400000000, -0.0066654200000000, 0.0092003000000000 ] - [ -0.0008316400000000, 0.0011330800000000, 0.0005791300000000 ] - [ 0.0004122800000000, -0.0006486000000000, -0.0002232800000000 ] - [ 0.0008900900000000, 0.0006502200000000, -0.0014551700000000 ] - [ 0.0012729000000000, 0.0004683600000000, 0.0005986400000000 ] - [ 0.0001091700000000, 0.0000267700000000, -0.0000019800000000 ] - [ 0.0021097600000000, -0.0017431100000000, 0.0005212600000000 ] - [ 0.0009489400000000, 0.0012642400000000, 0.0012355000000000 ] - [ 0.0011094400000000, -0.0000762400000000, -0.0011968300000000 ] - [ 0.0001385700000000, 0.0002174800000000, -0.0000909800000000 ] - [ 0.0006105900000000, 0.0001895400000000, 0.0008525800000000 ] - [ 0.0005586900000000, 0.0010356800000000, 0.0011417700000000 ] - [ -0.0000196800000000, 0.0002301000000000, 0.0000409900000000 ] - [ -0.0002987200000000, 0.0006533200000000, -0.0005676500000000 ] - [ -0.0001903600000000, -0.0011973000000000, -0.0009672200000000 ] - [ -0.0000549500000000, 0.0004323600000000, 0.0001998300000000 ] - [ 0.0018728100000000, 0.0002062800000000, -0.0004319200000000 ] - [ 0.0021559000000000, -0.0000992500000000, -0.0005491500000000 ] - [ -0.0034379600000000, 0.0053599300000000, -0.0061860800000000 ] - [ -0.0017662900000000, -0.0001579100000000, 0.0003400300000000 ] - [ 0.0003845600000000, 0.0006297100000000, 0.0008542800000000 ] - [ 0.0005373300000000, -0.0004284600000000, 0.0014148800000000 ] - [ 0.0008690800000000, 0.0003069200000000, -0.0006162200000000 ] - [ 0.0001722100000000, -0.0002550500000000, -0.0005695600000000 ] - [ 0.0021819200000000, -0.0000006800000000, -0.0006900200000000 ] - [ 0.0017955000000000, 0.0000006700000000, -0.0005502000000000 ] - [ 0.0004624500000000, 0.0003287600000000, 0.0005213200000000 ] - [ 0.0004572800000000, 0.0001217500000000, 0.0004032500000000 ] - [ -0.0013273000000000, -0.0012501700000000, 0.0071409700000000 ] - [ -0.0005285900000000, -0.0000991300000000, -0.0001809500000000 ] - [ 0.0018138900000000, -0.0001181600000000, -0.0003898200000000 ] - [ -0.0010127200000000, -0.0012541800000000, -0.0002592600000000 ] - [ 0.0005409000000000, -0.0002366400000000, 0.0004879800000000 ] - [ 0.0003753100000000, -0.0002094700000000, 0.0004339300000000 ] - [ -0.0003272800000000, 0.0008469300000000, -0.0004900800000000 ] - [ -0.0001959700000000, -0.0007662600000000, 0.0006603200000000 ] - [ 0.0006070700000000, 0.0002960000000000, 0.0002149200000000 ] - [ 0.0006071800000000, 0.0002960900000000, 0.0002883900000000 ] - [ 0.0006955100000000, -0.0002970900000000, 0.0002916400000000 ] - [ 0.0005152300000000, -0.0002942600000000, 0.0002371700000000 ] - [ 0.0102500800000000, 0.0065381000000000, 0.0087059800000000 ] - [ -0.0009391600000000, -0.0011128400000000, 0.0001926500000000 ] - [ 0.0007550200000000, 0.0000836100000000, 0.0002557900000000 ] - [ 0.0012531000000000, -0.0000810700000000, 0.0003440100000000 ] - [ 0.0015169100000000, -0.0009369500000000, 0.0005151400000000 ] - [ 0.0003561400000000, -0.0004848000000000, -0.0000780600000000 ] - [ 0.0001730500000000, 0.0001835700000000, -0.0001466600000000 ] - [ 0.0006387900000000, -0.0011031300000000, -0.0013579400000000 ] - [ 0.0008607600000000, 0.0005320100000000, -0.0011057100000000 ] - [ -0.0001027200000000, 0.0002488300000000, -0.0000143400000000 ] - [ 0.0023357400000000, 0.0021890700000000, 0.0004422600000000 ] - [ 0.0011827800000000, -0.0007845300000000, 0.0011396900000000 ] - [ -0.0001595200000000, 0.0001014000000000, 0.0005048400000000 ] - [ -0.0004301000000000, -0.0002947000000000, -0.0000909400000000 ] - [ 0.0007601300000000, 0.0001366000000000, 0.0003994900000000 ] - [ 0.0007065400000000, -0.0007018200000000, 0.0006835200000000 ] - [ 0.0009298800000000, 0.0001144200000000, 0.0006399100000000 ] - [ 0.0006250000000000, 0.0005066800000000, 0.0003996800000000 ] - [ -0.0030730500000000, -0.0005984000000000, -0.0035872900000000 ] - [ 0.0007432800000000, -0.0010873200000000, -0.0010239000000000 ] - [ -0.0010992200000000, 0.0003676100000000, 0.0002632700000000 ] - [ -0.0020718700000000, -0.0003570500000000, 0.0008173700000000 ] - [ -0.0000461000000000, -0.0003678000000000, -0.0004662600000000 ] - [ -0.0010056700000000, 0.0003582900000000, 0.0000801100000000 ] - [ -0.0041514300000000, 0.0005939900000000, -0.0028559300000000 ] - [ -0.0003252700000000, 0.0010676500000000, -0.0002847100000000 ] - [ -0.0016039300000000, 0.0002109200000000, 0.0002213200000000 ] - [ -0.0011371000000000, -0.0002766500000000, -0.0000396500000000 ] - [ 0.0011073500000000, 0.0011618800000000, 0.0006721900000000 ] - [ 0.0059814800000000, -0.0000056100000000, 0.0011443200000000 ] - [ 0.0005453800000000, -0.0011702500000000, 0.0002895400000000 ] - [ 0.0050911400000000, 0.0002648300000000, 0.0007045200000000 ] - [ -0.0010705200000000, -0.0002071800000000, 0.0006006600000000 ] - [ -0.0006041800000000, 0.0002718100000000, 0.0003399700000000 ] - [ 0.0031116700000000, 0.0013326300000000, -0.0005638400000000 ] - [ 0.0032289200000000, -0.0028933100000000, -0.0029198600000000 ] - [ -0.0032933200000000, 0.0002552800000000, -0.0012056600000000 ] - [ -0.0026206100000000, -0.0002492000000000, -0.0010987800000000 ] - [ 0.0225961500000000, -0.0021706600000000, 0.0024310100000000 ] - [ 0.0029934400000000, -0.0008401200000000, 0.0008870800000000 ] - [ -0.0018633200000000, 0.0000845400000000, -0.0001454700000000 ] - [ -0.0024431300000000, -0.0000750000000000, -0.0001104200000000 ] - [ -0.0020482700000000, 0.0015414300000000, -0.0017237500000000 ] - [ -0.0028095800000000, -0.0009684500000000, -0.0020541900000000 ] - [ -0.0012387200000000, 0.0013524800000000, 0.0017991900000000 ] - [ 0.0011075200000000, -0.0012095300000000, 0.0008552600000000 ] - [ -0.0025716200000000, -0.0002478700000000, -0.0005193000000000 ] - [ -0.0019000400000000, 0.0002416700000000, -0.0004149600000000 ] - [ 0.0023363800000000, -0.0013997900000000, -0.0013103400000000 ] - [ 0.0024713600000000, 0.0029358000000000, -0.0036280700000000 ] - [ -0.0028166500000000, -0.0000846800000000, -0.0004748400000000 ] - [ -0.0033945400000000, 0.0000748700000000, -0.0004408900000000 ] - [ 0.0234645400000000, 0.0023694400000000, 0.0029901300000000 ] - [ 0.0039377200000000, 0.0008110500000000, 0.0012267600000000 ] - [ -0.0014699100000000, -0.0013305400000000, 0.0006715300000000 ] - [ 0.0008717700000000, 0.0011872800000000, -0.0002642400000000 ] - [ -0.0018447300000000, -0.0015339700000000, -0.0006132200000000 ] - [ -0.0025879400000000, 0.0009686300000000, -0.0009393400000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0096228700000000, -0.0018998000000000, 0.0049095500000000 ] - [ 0.0010318600000000, 0.0008638500000000, -0.0007469400000000 ] - [ -0.0002165100000000, 0.0001379900000000, 0.0000797400000000 ] - [ 0.0003323900000000, -0.0001420900000000, -0.0001537800000000 ] - [ -0.0008241300000000, -0.0005145000000000, 0.0002474500000000 ] - [ 0.0006650400000000, 0.0005224600000000, 0.0001818200000000 ] - [ -0.0024468600000000, 0.0008386500000000, -0.0003743400000000 ] - [ 0.0001480000000000, -0.0004472600000000, 0.0005437200000000 ] - [ 0.0000000000000000, 0.0009334600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0002641000000000, 0.0000000000000000 ] - [ -0.0011640500000000, -0.0086221300000000, 0.0027291400000000 ] - [ 0.0007577200000000, 0.0043625600000000, 0.0020441300000000 ] - [ 0.0001086600000000, -0.0002764600000000, -0.0000018400000000 ] - [ 0.0002201200000000, -0.0000575000000000, -0.0001137200000000 ] - [ 0.0000815000000000, -0.0002091700000000, -0.0002858000000000 ] - [ 0.0002460400000000, 0.0005374300000000, 0.0001603000000000 ] - [ -0.0073899300000000, 0.0154021400000000, -0.0084482600000000 ] - [ 0.0000018800000000, 0.0008544200000000, 0.0016113700000000 ] - [ 0.0000480300000000, -0.0009288700000000, 0.0006962900000000 ] - [ -0.0003049600000000, 0.0005312500000000, -0.0001606700000000 ] - [ 0.0000000000000000, -0.1645510600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0055183300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0439806400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0123361900000000, 0.0000000000000000 ] - [ -0.0003374600000000, 0.0001377300000000, -0.0003282400000000 ] - [ 0.0003317400000000, -0.0001304600000000, -0.0001696700000000 ] - [ -0.0059876000000000, -0.0019527400000000, -0.0019851400000000 ] - [ 0.0003862700000000, 0.0018377100000000, 0.0009787300000000 ] - [ -0.0006818000000000, -0.0000787800000000, 0.0001817200000000 ] - [ 0.0012464400000000, 0.0005527900000000, -0.0017698000000000 ] - [ -0.0002455700000000, -0.0018641800000000, 0.0008170100000000 ] - [ -0.0000211100000000, 0.0008976200000000, -0.0000820900000000 ] - [ -0.0006495400000000, 0.0001920200000000, -0.0001384100000000 ] - [ 0.0009286400000000, 0.0013034600000000, 0.0014839200000000 ] - [ 0.0005111000000000, -0.0013879000000000, -0.0013782500000000 ] - [ 0.0000150100000000, 0.0009509700000000, 0.0002250600000000 ] - [ -0.0003409000000000, 0.0000457800000000, -0.0000022200000000 ] - [ 0.0001445700000000, 0.0003593500000000, 0.0006235300000000 ] - [ 0.0005052800000000, -0.0019555300000000, 0.0014447200000000 ] - [ -0.0008689500000000, 0.0027521300000000, -0.0020016000000000 ] - [ -0.0008004500000000, -0.0006063000000000, -0.0010239600000000 ] - [ 0.0002262500000000, 0.0002568700000000, 0.0000830700000000 ] - [ 0.0002165100000000, 0.0001379900000000, -0.0000797400000000 ] - [ -0.0003323900000000, -0.0001420900000000, 0.0001537800000000 ] - [ 0.0096228700000000, -0.0018998000000000, -0.0049095500000000 ] - [ -0.0010318600000000, 0.0008638500000000, 0.0007469400000000 ] - [ 0.0024468600000000, 0.0008386500000000, 0.0003743400000000 ] - [ -0.0001480000000000, -0.0004472600000000, -0.0005437200000000 ] - [ 0.0008241300000000, -0.0005145000000000, -0.0002474500000000 ] - [ -0.0006650400000000, 0.0005224600000000, -0.0001818200000000 ] - [ 0.0000000000000000, -0.0001339100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001438700000000, 0.0000000000000000 ] - [ -0.0001086600000000, -0.0002764600000000, 0.0000018400000000 ] - [ -0.0002201200000000, -0.0000575000000000, 0.0001137200000000 ] - [ 0.0011640500000000, -0.0086221300000000, -0.0027291400000000 ] - [ -0.0007577200000000, 0.0043625600000000, -0.0020441300000000 ] - [ 0.0073899300000000, 0.0154021400000000, 0.0084482600000000 ] - [ -0.0000018800000000, 0.0008544200000000, -0.0016113700000000 ] - [ -0.0000815000000000, -0.0002091700000000, 0.0002858000000000 ] - [ -0.0002460400000000, 0.0005374300000000, -0.0001603000000000 ] - [ 0.0008004500000000, -0.0006063000000000, 0.0010239600000000 ] - [ -0.0002262500000000, 0.0002568700000000, -0.0000830700000000 ] - [ 0.0000000000000000, 0.0002751800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002732000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004577600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000887200000000, 0.0000000000000000 ] - [ 0.0059876000000000, -0.0019527400000000, 0.0019851400000000 ] - [ -0.0003862700000000, 0.0018377100000000, -0.0009787300000000 ] - [ 0.0003374600000000, 0.0001377300000000, 0.0003282400000000 ] - [ -0.0003317400000000, -0.0001304600000000, 0.0001696700000000 ] - [ 0.0002455700000000, -0.0018641800000000, -0.0008170100000000 ] - [ 0.0000211100000000, 0.0008976200000000, 0.0000820900000000 ] - [ 0.0006818000000000, -0.0000787800000000, -0.0001817200000000 ] - [ -0.0012464400000000, 0.0005527900000000, 0.0017698000000000 ] - [ -0.0005111000000000, -0.0013879000000000, 0.0013782500000000 ] - [ -0.0000150100000000, 0.0009509700000000, -0.0002250600000000 ] - [ 0.0006495400000000, 0.0001920200000000, 0.0001384100000000 ] - [ -0.0009286400000000, 0.0013034600000000, -0.0014839200000000 ] - [ -0.0005052800000000, -0.0019555300000000, -0.0014447200000000 ] - [ 0.0008689500000000, 0.0027521300000000, 0.0020016000000000 ] - [ 0.0003409000000000, 0.0000457800000000, 0.0000022200000000 ] - [ -0.0001445700000000, 0.0003593500000000, -0.0006235300000000 ] - [ -0.0000480300000000, -0.0009288700000000, -0.0006962900000000 ] - [ 0.0003049600000000, 0.0005312500000000, 0.0001606700000000 ] - [ 0.0025809600000000, 0.0021847200000000, 0.0000461000000000 ] - [ 0.0001322700000000, -0.0019541300000000, -0.0013458300000000 ] - [ 0.0000913500000000, -0.0006637100000000, 0.0003925000000000 ] - [ -0.0015845400000000, 0.0006631100000000, 0.0011043600000000 ] - [ -0.0000913500000000, -0.0006637100000000, -0.0003925000000000 ] - [ 0.0015845400000000, 0.0006631100000000, -0.0011043600000000 ] - [ -0.0025809600000000, 0.0021847200000000, -0.0000461000000000 ] - [ -0.0001322700000000, -0.0019541300000000, 0.0013458300000000 ] - [ -0.0001674300000000, 0.0004944300000000, -0.0002047500000000 ] - [ -0.0005893200000000, -0.0005373700000000, -0.0000632100000000 ] - [ 0.0036467900000000, -0.0029268000000000, 0.0003942300000000 ] - [ -0.0039131900000000, 0.0006976300000000, -0.0007774300000000 ] - [ -0.0036467900000000, -0.0029268000000000, -0.0003942300000000 ] - [ 0.0039131900000000, 0.0006976300000000, 0.0007774300000000 ] - [ 0.0001674300000000, 0.0004944300000000, 0.0002047500000000 ] - [ 0.0005893200000000, -0.0005373700000000, 0.0000632100000000 ] - [ 0.0033671800000000, -0.0074742500000000, 0.0046102900000000 ] - [ -0.0005909200000000, 0.0013800700000000, -0.0028193800000000 ] - [ 0.0001433700000000, 0.0008377300000000, -0.0003445400000000 ] - [ -0.0005368000000000, -0.0008858500000000, -0.0003097300000000 ] - [ 0.0012836700000000, 0.0551326200000000, -0.0368958200000000 ] - [ -0.0012939000000000, -0.0088377500000000, -0.0051699000000000 ] - [ 0.0004745800000000, -0.0002385600000000, 0.0001441000000000 ] - [ 0.0004169300000000, 0.0002429400000000, 0.0003762000000000 ] - [ 0.0013859500000000, -0.0009497100000000, -0.0006427800000000 ] - [ -0.0012706200000000, 0.0011687500000000, -0.0013773800000000 ] - [ 0.0053805900000000, 0.0033215600000000, -0.0008705200000000 ] - [ -0.0006364500000000, -0.0029015800000000, 0.0019184300000000 ] - [ -0.0001433700000000, 0.0008377300000000, 0.0003445400000000 ] - [ 0.0005368000000000, -0.0008858500000000, 0.0003097300000000 ] - [ -0.0033671800000000, -0.0074742500000000, -0.0046102900000000 ] - [ 0.0005909200000000, 0.0013800700000000, 0.0028193800000000 ] - [ -0.0004745800000000, -0.0002385600000000, -0.0001441000000000 ] - [ -0.0004169300000000, 0.0002429400000000, -0.0003762000000000 ] - [ -0.0012836700000000, 0.0551326200000000, 0.0368958200000000 ] - [ 0.0012939000000000, -0.0088377500000000, 0.0051699000000000 ] - [ -0.0053805900000000, 0.0033215600000000, 0.0008705200000000 ] - [ 0.0006364500000000, -0.0029015800000000, -0.0019184300000000 ] - [ -0.0013859500000000, -0.0009497100000000, 0.0006427800000000 ] - [ 0.0012706200000000, 0.0011687500000000, 0.0013773800000000 ]- atom: 21 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0094216000000000, 0.0019508600000000, -0.0046712200000000 ] - [ -0.0012099100000000, -0.0008624500000000, 0.0009276400000000 ] - [ 0.0004092600000000, -0.0001358700000000, -0.0002703100000000 ] - [ -0.0001381400000000, 0.0001397100000000, -0.0000365600000000 ] - [ 0.0015690900000000, 0.0005147700000000, 0.0004458600000000 ] - [ 0.0000944500000000, -0.0005219200000000, 0.0005108700000000 ] - [ 0.0016921600000000, -0.0008312700000000, -0.0003177000000000 ] - [ -0.0009050500000000, 0.0004391100000000, -0.0012336300000000 ] - [ 0.0000000000000000, -0.0009294700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002559000000000, 0.0000000000000000 ] - [ 0.0007743800000000, 0.0081809300000000, -0.0027781800000000 ] - [ -0.0011309600000000, -0.0047760300000000, -0.0020060300000000 ] - [ 0.0002719000000000, -0.0001524100000000, -0.0000189800000000 ] - [ 0.0001617200000000, -0.0003734200000000, 0.0000943000000000 ] - [ 0.0002989200000000, 0.0006365800000000, 0.0002645000000000 ] - [ 0.0001361700000000, -0.0001056300000000, -0.0001789500000000 ] - [ 0.0069943900000000, -0.0150026800000000, 0.0084065900000000 ] - [ -0.0003733500000000, -0.0004515000000000, -0.0015656200000000 ] - [ -0.0001944800000000, 0.0005939300000000, -0.0002426800000000 ] - [ 0.0001590200000000, -0.0008565000000000, 0.0006114000000000 ] - [ 0.0000000000000000, 0.1683315500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0049319300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0456197200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0128008600000000, 0.0000000000000000 ] - [ 0.0002225800000000, -0.0001360600000000, -0.0000435600000000 ] - [ -0.0004456300000000, 0.0001284700000000, -0.0002020100000000 ] - [ 0.0060542800000000, 0.0019926200000000, 0.0023166400000000 ] - [ -0.0002644500000000, -0.0018373600000000, -0.0005997500000000 ] - [ 0.0009208200000000, -0.0003764900000000, -0.0002568900000000 ] - [ -0.0009993000000000, -0.0010135600000000, 0.0016880100000000 ] - [ 0.0000003900000000, 0.0013895900000000, -0.0007400400000000 ] - [ -0.0002148200000000, -0.0013550700000000, 0.0001583400000000 ] - [ 0.0003955200000000, 0.0002816900000000, 0.0002085700000000 ] - [ -0.0011622100000000, -0.0008399900000000, -0.0014024100000000 ] - [ -0.0002733300000000, 0.0018383700000000, 0.0013003500000000 ] - [ 0.0002305700000000, -0.0004879400000000, -0.0003018600000000 ] - [ 0.0001938500000000, 0.0002869000000000, 0.0004541800000000 ] - [ -0.0002897200000000, -0.0000327600000000, -0.0001711500000000 ] - [ -0.0003630500000000, 0.0022793800000000, -0.0019003200000000 ] - [ 0.0010110700000000, -0.0024118800000000, 0.0015400300000000 ] - [ 0.0009453000000000, 0.0002873400000000, 0.0005806500000000 ] - [ -0.0000814200000000, -0.0005941900000000, -0.0005404600000000 ] - [ -0.0004092600000000, -0.0001358700000000, 0.0002703100000000 ] - [ 0.0001381400000000, 0.0001397100000000, 0.0000365600000000 ] - [ -0.0094216000000000, 0.0019508600000000, 0.0046712200000000 ] - [ 0.0012099100000000, -0.0008624500000000, -0.0009276400000000 ] - [ -0.0016921600000000, -0.0008312700000000, 0.0003177000000000 ] - [ 0.0009050500000000, 0.0004391100000000, 0.0012336300000000 ] - [ -0.0015690900000000, 0.0005147700000000, -0.0004458600000000 ] - [ -0.0000944500000000, -0.0005219200000000, -0.0005108700000000 ] - [ 0.0000000000000000, 0.0001332800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001436600000000, 0.0000000000000000 ] - [ -0.0002719000000000, -0.0001524100000000, 0.0000189800000000 ] - [ -0.0001617200000000, -0.0003734200000000, -0.0000943000000000 ] - [ -0.0007743800000000, 0.0081809300000000, 0.0027781800000000 ] - [ 0.0011309600000000, -0.0047760300000000, 0.0020060300000000 ] - [ -0.0069943900000000, -0.0150026800000000, -0.0084065900000000 ] - [ 0.0003733500000000, -0.0004515000000000, 0.0015656200000000 ] - [ -0.0002989200000000, 0.0006365800000000, -0.0002645000000000 ] - [ -0.0001361700000000, -0.0001056300000000, 0.0001789500000000 ] - [ -0.0009453000000000, 0.0002873400000000, -0.0005806500000000 ] - [ 0.0000814200000000, -0.0005941900000000, 0.0005404600000000 ] - [ 0.0000000000000000, 0.0003139300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0003135700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001328600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004974800000000, 0.0000000000000000 ] - [ -0.0060542800000000, 0.0019926200000000, -0.0023166400000000 ] - [ 0.0002644500000000, -0.0018373600000000, 0.0005997500000000 ] - [ -0.0002225800000000, -0.0001360600000000, 0.0000435600000000 ] - [ 0.0004456300000000, 0.0001284700000000, 0.0002020100000000 ] - [ -0.0000003900000000, 0.0013895900000000, 0.0007400400000000 ] - [ 0.0002148200000000, -0.0013550700000000, -0.0001583400000000 ] - [ -0.0009208200000000, -0.0003764900000000, 0.0002568900000000 ] - [ 0.0009993000000000, -0.0010135600000000, -0.0016880100000000 ] - [ 0.0002733300000000, 0.0018383700000000, -0.0013003500000000 ] - [ -0.0002305700000000, -0.0004879400000000, 0.0003018600000000 ] - [ -0.0003955200000000, 0.0002816900000000, -0.0002085700000000 ] - [ 0.0011622100000000, -0.0008399900000000, 0.0014024100000000 ] - [ 0.0003630500000000, 0.0022793800000000, 0.0019003200000000 ] - [ -0.0010110700000000, -0.0024118800000000, -0.0015400300000000 ] - [ -0.0001938500000000, 0.0002869000000000, -0.0004541800000000 ] - [ 0.0002897200000000, -0.0000327600000000, 0.0001711500000000 ] - [ 0.0001944800000000, 0.0005939300000000, 0.0002426800000000 ] - [ -0.0001590200000000, -0.0008565000000000, -0.0006114000000000 ] - [ -0.0014921300000000, -0.0021734600000000, -0.0007503300000000 ] - [ 0.0009166800000000, 0.0019498000000000, 0.0006132600000000 ] - [ -0.0011492200000000, 0.0006566900000000, 0.0003331500000000 ] - [ 0.0005246600000000, -0.0006535700000000, -0.0003755200000000 ] - [ 0.0011492200000000, 0.0006566900000000, -0.0003331500000000 ] - [ -0.0005246600000000, -0.0006535700000000, 0.0003755200000000 ] - [ 0.0014921300000000, -0.0021734600000000, 0.0007503300000000 ] - [ -0.0009166800000000, 0.0019498000000000, -0.0006132600000000 ] - [ -0.0003540800000000, -0.0004935500000000, -0.0001866900000000 ] - [ 0.0000621900000000, 0.0005361100000000, -0.0003249800000000 ] - [ -0.0031650400000000, 0.0029268100000000, -0.0000126700000000 ] - [ 0.0045953800000000, -0.0005709300000000, 0.0011826600000000 ] - [ 0.0031650400000000, 0.0029268100000000, 0.0000126700000000 ] - [ -0.0045953800000000, -0.0005709300000000, -0.0011826600000000 ] - [ 0.0003540800000000, -0.0004935500000000, 0.0001866900000000 ] - [ -0.0000621900000000, 0.0005361100000000, 0.0003249800000000 ] - [ -0.0026598600000000, 0.0074401000000000, -0.0039371500000000 ] - [ 0.0013104700000000, -0.0013129300000000, 0.0035150200000000 ] - [ -0.0008493800000000, -0.0008357000000000, -0.0003353800000000 ] - [ -0.0001766800000000, 0.0008833900000000, -0.0003713200000000 ] - [ -0.0019294300000000, -0.0564474900000000, 0.0392094200000000 ] - [ 0.0003249400000000, 0.0088178600000000, 0.0047899900000000 ] - [ 0.0004810800000000, 0.0002348400000000, 0.0001739000000000 ] - [ 0.0005398000000000, -0.0002398700000000, -0.0000585400000000 ] - [ -0.0015916200000000, 0.0009325900000000, -0.0004446600000000 ] - [ 0.0010627300000000, -0.0011539400000000, 0.0002830600000000 ] - [ -0.0051329900000000, -0.0033249700000000, 0.0019513700000000 ] - [ 0.0008285400000000, 0.0028968300000000, -0.0008159100000000 ] - [ 0.0008493800000000, -0.0008357000000000, 0.0003353800000000 ] - [ 0.0001766800000000, 0.0008833900000000, 0.0003713200000000 ] - [ 0.0026598600000000, 0.0074401000000000, 0.0039371500000000 ] - [ -0.0013104700000000, -0.0013129300000000, -0.0035150200000000 ] - [ -0.0004810800000000, 0.0002348400000000, -0.0001739000000000 ] - [ -0.0005398000000000, -0.0002398700000000, 0.0000585400000000 ] - [ 0.0019294300000000, -0.0564474900000000, -0.0392094200000000 ] - [ -0.0003249400000000, 0.0088178600000000, -0.0047899900000000 ] - [ 0.0051329900000000, -0.0033249700000000, -0.0019513700000000 ] - [ -0.0008285400000000, 0.0028968300000000, 0.0008159100000000 ] - [ 0.0015916200000000, 0.0009325900000000, 0.0004446600000000 ] - [ -0.0010627300000000, -0.0011539400000000, -0.0002830600000000 ]- atom: 21 displacement: [ -0.0011848924261905, 0.0000000000000000, 0.0099295533604667 ] forces: - [ -0.0236730000000000, 0.0067698900000000, 0.0145901200000000 ] - [ -0.0020225500000000, -0.0001079100000000, 0.0007242800000000 ] - [ 0.0016284900000000, -0.0002062700000000, -0.0006345900000000 ] - [ 0.0014439900000000, 0.0001624400000000, -0.0005832900000000 ] - [ -0.0025273900000000, 0.0001718100000000, 0.0007712900000000 ] - [ 0.0009584900000000, -0.0000407200000000, 0.0004855200000000 ] - [ 0.0022646900000000, -0.0011408200000000, 0.0004963400000000 ] - [ 0.0018107800000000, 0.0009959100000000, 0.0001736300000000 ] - [ -0.0068429900000000, -0.0000039300000000, 0.0048123800000000 ] - [ -0.0063814400000000, 0.0000052300000000, 0.0046281500000000 ] - [ 0.0113711100000000, 0.0107339700000000, 0.0277023000000000 ] - [ -0.0009319700000000, -0.0027577500000000, -0.0006981900000000 ] - [ 0.0003247400000000, -0.0003791700000000, 0.0002790700000000 ] - [ 0.0005102500000000, -0.0006330000000000, 0.0003969400000000 ] - [ 0.0003189900000000, 0.0003902700000000, 0.0002897900000000 ] - [ 0.0005337500000000, 0.0006185100000000, 0.0003985600000000 ] - [ 0.0158497700000000, -0.0322654100000000, 0.0220699200000000 ] - [ -0.0008769900000000, 0.0035347300000000, -0.0010054500000000 ] - [ 0.0005239700000000, -0.0006053700000000, 0.0011747700000000 ] - [ 0.0005940800000000, -0.0010497300000000, 0.0010439900000000 ] - [ -0.0103113500000000, 0.0029713800000000, -0.1664409900000000 ] - [ -0.0006989800000000, 0.0002970700000000, -0.0018521500000000 ] - [ 0.0004767100000000, -0.0001493500000000, -0.0225015100000000 ] - [ -0.0004161900000000, -0.0003428600000000, -0.0030747400000000 ] - [ 0.0000461000000000, 0.0001350200000000, -0.0003024700000000 ] - [ -0.0000921400000000, -0.0001966300000000, -0.0003137100000000 ] - [ 0.0090901700000000, -0.0023208100000000, 0.0005056300000000 ] - [ -0.0000682900000000, -0.0000758800000000, -0.0001873600000000 ] - [ -0.0009846100000000, 0.0007605300000000, -0.0000921300000000 ] - [ 0.0004450500000000, -0.0007534500000000, -0.0000135300000000 ] - [ 0.0010683700000000, 0.0009704700000000, -0.0002526300000000 ] - [ 0.0001221300000000, -0.0003857200000000, -0.0001247300000000 ] - [ 0.0015620600000000, -0.0010504300000000, -0.0000032300000000 ] - [ 0.0000196700000000, 0.0002013900000000, -0.0002495400000000 ] - [ -0.0014663200000000, -0.0010686100000000, 0.0002110500000000 ] - [ 0.0004316400000000, 0.0006124100000000, 0.0000383700000000 ] - [ 0.0005341100000000, 0.0007090300000000, 0.0012767600000000 ] - [ 0.0004892600000000, 0.0009017700000000, 0.0009420600000000 ] - [ 0.0012136800000000, -0.0034417700000000, 0.0056272600000000 ] - [ 0.0015158900000000, -0.0025589200000000, 0.0025863900000000 ] - [ 0.0003182600000000, 0.0035665000000000, 0.0050270400000000 ] - [ 0.0010171700000000, 0.0016069900000000, 0.0022560300000000 ] - [ 0.0014369900000000, 0.0002067400000000, -0.0004378000000000 ] - [ 0.0012527900000000, -0.0001621700000000, -0.0003863800000000 ] - [ -0.0237214300000000, -0.0068515900000000, 0.0145140200000000 ] - [ -0.0018151600000000, 0.0001037600000000, 0.0005155000000000 ] - [ 0.0029897400000000, 0.0011350800000000, 0.0011995800000000 ] - [ 0.0025331800000000, -0.0009888600000000, 0.0008823800000000 ] - [ -0.0033180400000000, -0.0001722500000000, 0.0000815200000000 ] - [ 0.0001965100000000, 0.0000375400000000, -0.0002065400000000 ] - [ 0.0003722700000000, -0.0000000100000000, 0.0001100200000000 ] - [ 0.0012505400000000, -0.0000002200000000, -0.0002723700000000 ] - [ -0.0000577100000000, -0.0000555300000000, 0.0002969800000000 ] - [ 0.0001299300000000, 0.0001985200000000, 0.0004149600000000 ] - [ 0.0115345000000000, -0.0109943900000000, 0.0272417700000000 ] - [ -0.0005465700000000, 0.0022920000000000, -0.0006862700000000 ] - [ 0.0160648300000000, 0.0324241600000000, 0.0217773200000000 ] - [ -0.0004890300000000, -0.0030536800000000, -0.0009762100000000 ] - [ -0.0000628600000000, 0.0000463800000000, 0.0003064200000000 ] - [ 0.0001532600000000, -0.0001862100000000, 0.0004178100000000 ] - [ 0.0001615900000000, -0.0039134800000000, 0.0054920800000000 ] - [ 0.0008530500000000, -0.0019149700000000, 0.0026827200000000 ] - [ 0.0002154600000000, 0.0002977200000000, -0.0001105300000000 ] - [ 0.0001428200000000, 0.0002967900000000, -0.0001190600000000 ] - [ 0.0002061900000000, -0.0002975500000000, -0.0000828400000000 ] - [ 0.0001733700000000, -0.0002960400000000, -0.0001228300000000 ] - [ 0.0090220600000000, 0.0023637800000000, 0.0002428200000000 ] - [ -0.0001878600000000, 0.0000605400000000, -0.0005511400000000 ] - [ 0.0001590700000000, -0.0001363900000000, 0.0000723900000000 ] - [ 0.0000253800000000, 0.0001976700000000, 0.0000603400000000 ] - [ 0.0013252300000000, -0.0014363400000000, -0.0003192100000000 ] - [ 0.0003702600000000, -0.0000846800000000, -0.0001962200000000 ] - [ -0.0012379400000000, -0.0012344300000000, -0.0000278600000000 ] - [ 0.0002093300000000, 0.0002807400000000, 0.0000394400000000 ] - [ -0.0017115500000000, 0.0015544700000000, 0.0002596600000000 ] - [ 0.0001865700000000, -0.0001485000000000, 0.0001079900000000 ] - [ 0.0018221000000000, 0.0015282100000000, -0.0000696000000000 ] - [ 0.0002776500000000, 0.0002533700000000, -0.0003066200000000 ] - [ 0.0010467900000000, 0.0037652200000000, 0.0060527000000000 ] - [ 0.0013494200000000, 0.0028585900000000, 0.0030143400000000 ] - [ 0.0006828600000000, -0.0003780600000000, 0.0008281000000000 ] - [ 0.0006377800000000, -0.0005745000000000, 0.0004947500000000 ] - [ 0.0006743300000000, 0.0002774700000000, 0.0007292900000000 ] - [ 0.0007414700000000, 0.0007190200000000, 0.0005921700000000 ] - [ -0.0052828200000000, -0.0006861100000000, -0.0022602800000000 ] - [ 0.0000503200000000, 0.0001239300000000, 0.0000878100000000 ] - [ -0.0006268900000000, -0.0010318500000000, 0.0000206300000000 ] - [ -0.0005707400000000, 0.0012143700000000, -0.0001601800000000 ] - [ 0.0004434600000000, 0.0010403300000000, -0.0007003200000000 ] - [ 0.0004896600000000, -0.0012230700000000, -0.0008717400000000 ] - [ -0.0063466300000000, 0.0006897600000000, -0.0015724100000000 ] - [ -0.0010086500000000, -0.0001122100000000, 0.0007968100000000 ] - [ -0.0007625400000000, -0.0000634600000000, 0.0006327300000000 ] - [ -0.0006247300000000, 0.0000342100000000, 0.0000079600000000 ] - [ 0.0003212300000000, 0.0007341300000000, 0.0026752000000000 ] - [ 0.0000806600000000, -0.0007250800000000, 0.0054270200000000 ] - [ -0.0002286100000000, -0.0007464300000000, 0.0022903700000000 ] - [ -0.0005455400000000, 0.0007948500000000, 0.0050204900000000 ] - [ -0.0002336600000000, 0.0000602100000000, 0.0010211500000000 ] - [ -0.0000964700000000, -0.0000304900000000, 0.0003925900000000 ] - [ -0.0008026000000000, 0.0092402400000000, -0.0141364000000000 ] - [ -0.0011786000000000, -0.0111455300000000, -0.0155929000000000 ] - [ -0.0004772700000000, -0.0000325100000000, -0.0022893700000000 ] - [ -0.0019977200000000, 0.0000938300000000, -0.0014636700000000 ] - [ -0.0106984100000000, -0.0001735900000000, 0.0471265600000000 ] - [ 0.0023167100000000, -0.0005789200000000, 0.0035978500000000 ] - [ -0.0007955100000000, -0.0001544900000000, 0.0002994300000000 ] - [ -0.0006100600000000, 0.0001431700000000, 0.0002389000000000 ] - [ -0.0031495700000000, 0.0011087900000000, -0.0014172000000000 ] - [ -0.0027508500000000, -0.0009949000000000, -0.0012280900000000 ] - [ 0.0150953800000000, 0.0002766000000000, -0.0101141800000000 ] - [ 0.0004351200000000, 0.0002095800000000, -0.0019176000000000 ] - [ 0.0002607900000000, 0.0000291100000000, -0.0016166400000000 ] - [ -0.0012697400000000, -0.0000907200000000, -0.0007839700000000 ] - [ -0.0014824400000000, -0.0091593800000000, -0.0148186500000000 ] - [ -0.0018412200000000, 0.0110017500000000, -0.0162035200000000 ] - [ -0.0017407900000000, 0.0001552500000000, -0.0000301100000000 ] - [ -0.0015577200000000, -0.0001443000000000, -0.0000883200000000 ] - [ -0.0100757400000000, -0.0024734200000000, 0.0447481800000000 ] - [ 0.0032595800000000, 0.0006056300000000, 0.0038418000000000 ] - [ 0.0149874800000000, -0.0002679800000000, -0.0112268000000000 ] - [ 0.0002199500000000, -0.0002011100000000, -0.0029835100000000 ] - [ -0.0029180400000000, -0.0011149900000000, -0.0003320100000000 ] - [ -0.0025251600000000, 0.0009961000000000, -0.0001505800000000 ]- atom: 25 displacement: [ 0.0099999983100469, 0.0000000000000000, 0.0000058136957938 ] forces: - [ 0.0053823600000000, -0.0017771000000000, -0.0006042200000000 ] - [ 0.0053823600000000, 0.0017771000000000, -0.0006042200000000 ] - [ -0.0059123900000000, 0.0000000000000000, 0.0031918700000000 ] - [ -0.0021352300000000, 0.0000000000000000, 0.0005402100000000 ] - [ -0.0074659400000000, -0.0017100000000000, 0.0026550300000000 ] - [ -0.0074659400000000, 0.0017100000000000, 0.0026550300000000 ] - [ -0.0030652000000000, 0.0000000000000000, 0.0001660000000000 ] - [ -0.0023911300000000, 0.0000000000000000, 0.0000196400000000 ] - [ 0.0038130900000000, 0.0000000000000000, -0.0009969800000000 ] - [ 0.0023776400000000, 0.0000000000000000, -0.0006172200000000 ] - [ 0.0002198100000000, 0.0001631000000000, 0.0006642400000000 ] - [ 0.0006258100000000, 0.0009277900000000, 0.0012253500000000 ] - [ 0.0011229800000000, 0.0176337500000000, -0.0186351000000000 ] - [ -0.0010946800000000, -0.0013416100000000, 0.0000715500000000 ] - [ -0.0010946800000000, 0.0013416100000000, 0.0000715500000000 ] - [ 0.0011229800000000, -0.0176337500000000, -0.0186351000000000 ] - [ 0.0006258100000000, -0.0009277900000000, 0.0012253500000000 ] - [ 0.0002198100000000, -0.0001631000000000, 0.0006642400000000 ] - [ -0.0017953600000000, 0.0015889000000000, -0.0014963700000000 ] - [ -0.0024399500000000, 0.0011176100000000, -0.0013290900000000 ] - [ 0.0006983200000000, 0.0000137300000000, 0.0001886400000000 ] - [ 0.0012006900000000, 0.0006835100000000, 0.0001120300000000 ] - [ 0.0012006900000000, -0.0006835100000000, 0.0001120300000000 ] - [ 0.0006983200000000, -0.0000137300000000, 0.0001886400000000 ] - [ -0.1916251900000000, 0.0000000000000000, -0.0749376800000000 ] - [ -0.0022019300000000, 0.0000000000000000, -0.0007522500000000 ] - [ 0.0002161100000000, -0.0005500700000000, -0.0005643400000000 ] - [ 0.0002161100000000, 0.0005500700000000, -0.0005643400000000 ] - [ 0.0163995400000000, -0.0166081900000000, 0.0117230700000000 ] - [ -0.0009287600000000, 0.0012223800000000, -0.0002121400000000 ] - [ -0.0011465700000000, -0.0009903400000000, -0.0001365600000000 ] - [ -0.0009431400000000, 0.0003751900000000, -0.0021540900000000 ] - [ -0.0009431400000000, -0.0003751900000000, -0.0021540900000000 ] - [ -0.0011465700000000, 0.0009903400000000, -0.0001365600000000 ] - [ -0.0009287600000000, -0.0012223800000000, -0.0002121400000000 ] - [ 0.0163995400000000, 0.0166081900000000, 0.0117230700000000 ] - [ -0.0024399500000000, -0.0011176100000000, -0.0013290900000000 ] - [ -0.0017953600000000, -0.0015889000000000, -0.0014963700000000 ] - [ 0.0008689100000000, -0.0038311000000000, 0.0026225600000000 ] - [ 0.0020637600000000, 0.0011690600000000, 0.0028980700000000 ] - [ 0.0020637600000000, -0.0011690600000000, 0.0028980700000000 ] - [ 0.0008689100000000, 0.0038311000000000, 0.0026225600000000 ] - [ 0.0333954700000000, 0.0000000000000000, -0.0121328500000000 ] - [ -0.0006008100000000, 0.0000000000000000, 0.0002288800000000 ] - [ 0.0028446700000000, 0.0000098600000000, -0.0010279700000000 ] - [ 0.0028446700000000, -0.0000098600000000, -0.0010279700000000 ] - [ 0.0068848600000000, 0.0000000000000000, 0.0002214700000000 ] - [ 0.0025877200000000, 0.0000000000000000, 0.0000387600000000 ] - [ 0.0018351300000000, 0.0004316500000000, -0.0005482600000000 ] - [ 0.0018351300000000, -0.0004316500000000, -0.0005482600000000 ] - [ -0.0006215100000000, 0.0009423600000000, -0.0007353200000000 ] - [ -0.0006215100000000, -0.0009423600000000, -0.0007353200000000 ] - [ 0.0009473500000000, 0.0019939800000000, 0.0023167500000000 ] - [ -0.0003868300000000, -0.0013878100000000, -0.0007268500000000 ] - [ 0.0015739800000000, -0.0012230500000000, 0.0008830400000000 ] - [ 0.0018244800000000, -0.0012825400000000, 0.0009330700000000 ] - [ 0.0018244800000000, 0.0012825400000000, 0.0009330700000000 ] - [ 0.0015739800000000, 0.0012230500000000, 0.0008830400000000 ] - [ -0.0003868300000000, 0.0013878100000000, -0.0007268500000000 ] - [ 0.0009473500000000, -0.0019939800000000, 0.0023167500000000 ] - [ 0.0010127900000000, -0.0005217600000000, 0.0007952900000000 ] - [ 0.0008400800000000, -0.0009512000000000, 0.0010114600000000 ] - [ 0.0104804500000000, 0.0064040100000000, 0.0104725200000000 ] - [ -0.0008935600000000, -0.0000299300000000, -0.0002374700000000 ] - [ -0.0008935600000000, 0.0000299300000000, -0.0002374700000000 ] - [ 0.0104804500000000, -0.0064040100000000, 0.0104725200000000 ] - [ 0.0020535700000000, 0.0001604100000000, 0.0003905200000000 ] - [ 0.0020535700000000, -0.0001604100000000, 0.0003905200000000 ] - [ 0.0022968200000000, 0.0000000000000000, 0.0018562200000000 ] - [ 0.0003168800000000, 0.0000000000000000, 0.0003945800000000 ] - [ 0.0007107500000000, 0.0000233200000000, -0.0001232900000000 ] - [ 0.0020958100000000, -0.0016826200000000, 0.0000187300000000 ] - [ 0.0010092000000000, 0.0004256600000000, 0.0001927200000000 ] - [ 0.0006417200000000, -0.0002097700000000, 0.0001464600000000 ] - [ 0.0006417200000000, 0.0002097700000000, 0.0001464600000000 ] - [ 0.0010092000000000, -0.0004256600000000, 0.0001927200000000 ] - [ 0.0020958100000000, 0.0016826200000000, 0.0000187300000000 ] - [ 0.0007107500000000, -0.0000233200000000, -0.0001232900000000 ] - [ 0.0008400800000000, 0.0009512000000000, 0.0010114600000000 ] - [ 0.0010127900000000, 0.0005217600000000, 0.0007952900000000 ] - [ 0.0005184200000000, 0.0020103900000000, -0.0015602100000000 ] - [ 0.0006216700000000, -0.0007571400000000, 0.0004286600000000 ] - [ 0.0006216700000000, 0.0007571400000000, 0.0004286600000000 ] - [ 0.0005184200000000, -0.0020103900000000, -0.0015602100000000 ] - [ 0.0017000600000000, 0.0010713200000000, 0.0001222100000000 ] - [ 0.0017000600000000, -0.0010713200000000, 0.0001222100000000 ] - [ 0.0816536000000000, 0.0000000000000000, 0.0749635700000000 ] - [ 0.0027660500000000, 0.0000000000000000, 0.0008873900000000 ] - [ -0.0019534800000000, 0.0000000000000000, -0.0011001700000000 ] - [ -0.0004839500000000, 0.0000000000000000, -0.0006271900000000 ] - [ -0.0029339000000000, -0.0012573300000000, -0.0000145200000000 ] - [ -0.0029339000000000, 0.0012573300000000, -0.0000145200000000 ] - [ 0.0068032500000000, -0.0002372900000000, 0.0004133800000000 ] - [ 0.0068032500000000, 0.0002372900000000, 0.0004133800000000 ] - [ -0.0046710400000000, 0.0000000000000000, 0.0045692300000000 ] - [ 0.0001328700000000, 0.0000000000000000, 0.0006232700000000 ] - [ -0.0021821100000000, 0.0000000000000000, -0.0004083200000000 ] - [ -0.0015932700000000, 0.0000000000000000, -0.0002007500000000 ] - [ -0.0013429900000000, -0.0018687300000000, -0.0002984600000000 ] - [ -0.0013429900000000, 0.0018687300000000, -0.0002984600000000 ] - [ -0.0030801000000000, 0.0000000000000000, -0.0049809700000000 ] - [ -0.0010230100000000, 0.0000000000000000, -0.0025278000000000 ] - [ 0.0104614100000000, -0.0083118200000000, 0.0072990500000000 ] - [ 0.0104614100000000, 0.0083118200000000, 0.0072990500000000 ] - [ -0.0033351500000000, 0.0009712000000000, -0.0004947700000000 ] - [ -0.0033351500000000, -0.0009712000000000, -0.0004947700000000 ] - [ 0.0147167300000000, 0.0000000000000000, 0.0031368400000000 ] - [ 0.0028018500000000, 0.0000000000000000, -0.0003194600000000 ] - [ 0.0082216800000000, 0.0000000000000000, 0.0002776500000000 ] - [ 0.0038110400000000, 0.0000000000000000, 0.0008396200000000 ] - [ -0.0000332000000000, 0.0130754900000000, -0.0078033600000000 ] - [ -0.0000332000000000, -0.0130754900000000, -0.0078033600000000 ] - [ -0.0011748700000000, -0.0034948300000000, 0.0006471000000000 ] - [ -0.0011748700000000, 0.0034948300000000, 0.0006471000000000 ] - [ -0.0071784200000000, 0.0000000000000000, -0.0004603100000000 ] - [ -0.0045053700000000, 0.0000000000000000, -0.0014035900000000 ] - [ 0.0000271300000000, 0.0000000000000000, -0.0121716800000000 ] - [ 0.0014697000000000, 0.0000000000000000, 0.0005932300000000 ] - [ -0.0057045600000000, 0.0002836600000000, 0.0001126100000000 ] - [ -0.0057045600000000, -0.0002836600000000, 0.0001126100000000 ] - [ -0.0039281000000000, -0.0006051800000000, -0.0010273400000000 ] - [ -0.0039281000000000, 0.0006051800000000, -0.0010273400000000 ] - [ -0.0125086300000000, 0.0000000000000000, 0.0038596000000000 ] - [ -0.0013699200000000, 0.0000000000000000, 0.0000004400000000 ]- atom: 25 displacement: [ -0.0099999983100469, 0.0000000000000000, -0.0000058136957938 ] forces: - [ -0.0055599700000000, 0.0017767500000000, 0.0007823300000000 ] - [ -0.0055599700000000, -0.0017767500000000, 0.0007823300000000 ] - [ 0.0060290200000000, 0.0000000000000000, -0.0033619600000000 ] - [ 0.0023111900000000, 0.0000000000000000, -0.0007233000000000 ] - [ 0.0081903400000000, 0.0016993200000000, -0.0019403100000000 ] - [ 0.0081903400000000, -0.0016993200000000, -0.0019403100000000 ] - [ 0.0023074700000000, 0.0000000000000000, -0.0008640000000000 ] - [ 0.0016360700000000, 0.0000000000000000, -0.0007214400000000 ] - [ -0.0037768900000000, 0.0000000000000000, 0.0009864300000000 ] - [ -0.0023561000000000, 0.0000000000000000, 0.0006104600000000 ] - [ -0.0005977900000000, -0.0005875500000000, -0.0006384600000000 ] - [ -0.0010014200000000, -0.0013457400000000, -0.0011929200000000 ] - [ -0.0008358700000000, -0.0178620200000000, 0.0184172700000000 ] - [ 0.0014669600000000, 0.0009089700000000, -0.0000860800000000 ] - [ 0.0014669600000000, -0.0009089700000000, -0.0000860800000000 ] - [ -0.0008358700000000, 0.0178620200000000, 0.0184172700000000 ] - [ -0.0010014200000000, 0.0013457400000000, -0.0011929200000000 ] - [ -0.0005977900000000, 0.0005875500000000, -0.0006384600000000 ] - [ 0.0016416800000000, -0.0019039200000000, 0.0019324400000000 ] - [ 0.0022808300000000, -0.0014364700000000, 0.0017734700000000 ] - [ -0.0006910600000000, 0.0005723200000000, -0.0001834500000000 ] - [ -0.0011916300000000, -0.0000956100000000, -0.0001062900000000 ] - [ -0.0011916300000000, 0.0000956100000000, -0.0001062900000000 ] - [ -0.0006910600000000, -0.0005723200000000, -0.0001834500000000 ] - [ 0.1910994200000000, 0.0000000000000000, 0.0800148600000000 ] - [ 0.0020751400000000, 0.0000000000000000, 0.0004009200000000 ] - [ -0.0000924600000000, 0.0005474600000000, 0.0009293500000000 ] - [ -0.0000924600000000, -0.0005474600000000, 0.0009293500000000 ] - [ -0.0163866200000000, 0.0163327800000000, -0.0119800100000000 ] - [ 0.0011672900000000, -0.0016736900000000, 0.0001477300000000 ] - [ 0.0009132100000000, 0.0005247600000000, 0.0001921800000000 ] - [ 0.0007145800000000, -0.0008302600000000, 0.0022020200000000 ] - [ 0.0007145800000000, 0.0008302600000000, 0.0022020200000000 ] - [ 0.0009132100000000, -0.0005247600000000, 0.0001921800000000 ] - [ 0.0011672900000000, 0.0016736900000000, 0.0001477300000000 ] - [ -0.0163866200000000, -0.0163327800000000, -0.0119800100000000 ] - [ 0.0022808300000000, 0.0014364700000000, 0.0017734700000000 ] - [ 0.0016416800000000, 0.0019039200000000, 0.0019324400000000 ] - [ -0.0007262500000000, 0.0041572300000000, -0.0030657000000000 ] - [ -0.0019033100000000, -0.0008172700000000, -0.0033445400000000 ] - [ -0.0019033100000000, 0.0008172700000000, -0.0033445400000000 ] - [ -0.0007262500000000, -0.0041572300000000, -0.0030657000000000 ] - [ -0.0330143100000000, 0.0000000000000000, 0.0121447400000000 ] - [ 0.0003864300000000, 0.0000000000000000, -0.0000362900000000 ] - [ -0.0026262300000000, -0.0000093500000000, 0.0008346600000000 ] - [ -0.0026262300000000, 0.0000093500000000, 0.0008346600000000 ] - [ -0.0060708000000000, 0.0000000000000000, 0.0004797600000000 ] - [ -0.0018240400000000, 0.0000000000000000, 0.0006587100000000 ] - [ -0.0025744900000000, -0.0004268300000000, -0.0001528000000000 ] - [ -0.0025744900000000, 0.0004268300000000, -0.0001528000000000 ] - [ 0.0006020400000000, -0.0009371600000000, 0.0007390100000000 ] - [ 0.0006020400000000, 0.0009371600000000, 0.0007390100000000 ] - [ -0.0013254600000000, -0.0023997500000000, -0.0022700300000000 ] - [ -0.0000045400000000, 0.0009453000000000, 0.0007365900000000 ] - [ -0.0011814500000000, 0.0007923300000000, -0.0009000600000000 ] - [ -0.0014282700000000, 0.0008485800000000, -0.0009485100000000 ] - [ -0.0014282700000000, -0.0008485800000000, -0.0009485100000000 ] - [ -0.0011814500000000, -0.0007923300000000, -0.0009000600000000 ] - [ -0.0000045400000000, -0.0009453000000000, 0.0007365900000000 ] - [ -0.0013254600000000, 0.0023997500000000, -0.0022700300000000 ] - [ -0.0011460800000000, 0.0001913300000000, -0.0003411900000000 ] - [ -0.0009753500000000, 0.0006166900000000, -0.0005553300000000 ] - [ -0.0102689200000000, -0.0056445300000000, -0.0102480700000000 ] - [ 0.0008755500000000, 0.0006195300000000, 0.0002318200000000 ] - [ 0.0008755500000000, -0.0006195300000000, 0.0002318200000000 ] - [ -0.0102689200000000, 0.0056445300000000, -0.0102480700000000 ] - [ -0.0021517700000000, -0.0001580500000000, -0.0007507800000000 ] - [ -0.0021517700000000, 0.0001580500000000, -0.0007507800000000 ] - [ -0.0021659400000000, 0.0000000000000000, -0.0014783900000000 ] - [ -0.0002075800000000, 0.0000000000000000, -0.0000306400000000 ] - [ -0.0004730300000000, -0.0004759300000000, 0.0000551800000000 ] - [ -0.0018431700000000, 0.0012114600000000, -0.0000849200000000 ] - [ -0.0012351500000000, -0.0008768300000000, -0.0001248200000000 ] - [ -0.0008725300000000, -0.0002490600000000, -0.0000777200000000 ] - [ -0.0008725300000000, 0.0002490600000000, -0.0000777200000000 ] - [ -0.0012351500000000, 0.0008768300000000, -0.0001248200000000 ] - [ -0.0018431700000000, -0.0012114600000000, -0.0000849200000000 ] - [ -0.0004730300000000, 0.0004759300000000, 0.0000551800000000 ] - [ -0.0009753500000000, -0.0006166900000000, -0.0005553300000000 ] - [ -0.0011460800000000, -0.0001913300000000, -0.0003411900000000 ] - [ -0.0003777800000000, -0.0016542700000000, 0.0010885800000000 ] - [ -0.0004783200000000, 0.0010787300000000, -0.0008750800000000 ] - [ -0.0004783200000000, -0.0010787300000000, -0.0008750800000000 ] - [ -0.0003777800000000, 0.0016542700000000, 0.0010885800000000 ] - [ -0.0006553900000000, -0.0010623300000000, -0.0008383800000000 ] - [ -0.0006553900000000, 0.0010623300000000, -0.0008383800000000 ] - [ -0.0854054000000000, 0.0000000000000000, -0.0784971800000000 ] - [ -0.0038109900000000, 0.0000000000000000, -0.0001759300000000 ] - [ 0.0029851900000000, 0.0000000000000000, 0.0003734600000000 ] - [ 0.0015323600000000, 0.0000000000000000, -0.0000938700000000 ] - [ 0.0018663200000000, 0.0012439500000000, 0.0007326700000000 ] - [ 0.0018663200000000, -0.0012439500000000, 0.0007326700000000 ] - [ -0.0072748000000000, 0.0002655200000000, -0.0007998300000000 ] - [ -0.0072748000000000, -0.0002655200000000, -0.0007998300000000 ] - [ 0.0051721300000000, 0.0000000000000000, -0.0041665100000000 ] - [ 0.0003755500000000, 0.0000000000000000, -0.0002253000000000 ] - [ 0.0016511100000000, 0.0000000000000000, 0.0000104200000000 ] - [ 0.0010676100000000, 0.0000000000000000, -0.0001956100000000 ] - [ 0.0018495000000000, 0.0018466700000000, 0.0006916100000000 ] - [ 0.0018495000000000, -0.0018466700000000, 0.0006916100000000 ] - [ 0.0037337900000000, 0.0000000000000000, 0.0056254900000000 ] - [ 0.0016959600000000, 0.0000000000000000, 0.0031985400000000 ] - [ -0.0110821800000000, 0.0082687700000000, -0.0079451600000000 ] - [ -0.0110821800000000, -0.0082687700000000, -0.0079451600000000 ] - [ 0.0023411700000000, -0.0009666500000000, 0.0001815400000000 ] - [ 0.0023411700000000, 0.0009666500000000, 0.0001815400000000 ] - [ -0.0110701200000000, 0.0000000000000000, -0.0035620100000000 ] - [ -0.0017984100000000, 0.0000000000000000, 0.0006161300000000 ] - [ -0.0083622000000000, 0.0000000000000000, -0.0013432200000000 ] - [ -0.0039803900000000, 0.0000000000000000, -0.0019002100000000 ] - [ 0.0002173500000000, -0.0130453000000000, 0.0088852300000000 ] - [ 0.0002173500000000, 0.0130453000000000, 0.0088852300000000 ] - [ 0.0018784100000000, 0.0034554600000000, 0.0000379200000000 ] - [ 0.0018784100000000, -0.0034554600000000, 0.0000379200000000 ] - [ 0.0064247600000000, 0.0000000000000000, -0.0002137800000000 ] - [ 0.0037798800000000, 0.0000000000000000, 0.0007211500000000 ] - [ -0.0009346300000000, 0.0000000000000000, 0.0117475600000000 ] - [ -0.0024016600000000, 0.0000000000000000, -0.0008759100000000 ] - [ 0.0066335200000000, -0.0002852400000000, 0.0001878900000000 ] - [ 0.0066335200000000, 0.0002852400000000, 0.0001878900000000 ] - [ 0.0037079700000000, 0.0005987300000000, -0.0000552900000000 ] - [ 0.0037079700000000, -0.0005987300000000, -0.0000552900000000 ] - [ 0.0125805700000000, 0.0000000000000000, -0.0027451000000000 ] - [ 0.0015649600000000, 0.0000000000000000, 0.0010744900000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0020397200000000, 0.0008262800000000, 0.0003566700000000 ] - [ 0.0018433800000000, 0.0008283600000000, -0.0001717200000000 ] - [ 0.0001000100000000, -0.0009723500000000, -0.0000898700000000 ] - [ 0.0000996200000000, 0.0005867300000000, -0.0000892500000000 ] - [ -0.0005071300000000, 0.0002329600000000, -0.0006839700000000 ] - [ 0.0012493100000000, 0.0002422200000000, 0.0013729000000000 ] - [ -0.0003813700000000, -0.0008280300000000, -0.0003448600000000 ] - [ -0.0003836200000000, 0.0007712900000000, -0.0003468600000000 ] - [ 0.0000013500000000, -0.0001657000000000, 0.0000005900000000 ] - [ -0.0000012400000000, 0.0001909900000000, 0.0000008600000000 ] - [ -0.0002279900000000, 0.0001881600000000, 0.0002393200000000 ] - [ -0.0001512900000000, -0.0005426300000000, -0.0001395900000000 ] - [ 0.0112238300000000, 0.0070444200000000, -0.0138200500000000 ] - [ -0.0003357600000000, 0.0020755400000000, -0.0006332600000000 ] - [ 0.0007251400000000, 0.0024894900000000, 0.0005955800000000 ] - [ -0.0107423800000000, 0.0075055300000000, 0.0137151200000000 ] - [ -0.0002338300000000, -0.0001221100000000, 0.0001692000000000 ] - [ -0.0001603500000000, 0.0006154700000000, -0.0002165000000000 ] - [ -0.0004913000000000, 0.0019832000000000, -0.0014790400000000 ] - [ 0.0004595800000000, -0.0017501400000000, 0.0015683600000000 ] - [ -0.0000841700000000, 0.0004297200000000, 0.0001248500000000 ] - [ 0.0000813500000000, 0.0001646300000000, -0.0001897800000000 ] - [ -0.0000818100000000, -0.0004229200000000, 0.0001888700000000 ] - [ 0.0000825700000000, -0.0001544900000000, -0.0001261900000000 ] - [ -0.0002344100000000, -0.0514888000000000, -0.0006106600000000 ] - [ -0.0000576800000000, 0.0030653300000000, -0.0001972700000000 ] - [ -0.0004952200000000, 0.0000390300000000, 0.0000993800000000 ] - [ 0.0006022500000000, 0.0000414000000000, 0.0002640200000000 ] - [ -0.0111779800000000, 0.0005238700000000, -0.0092077100000000 ] - [ 0.0002244200000000, 0.0010293300000000, 0.0004543500000000 ] - [ -0.0009363000000000, 0.0006833200000000, 0.0012442000000000 ] - [ 0.0009380900000000, -0.0006482700000000, -0.0016917400000000 ] - [ -0.0011828800000000, -0.0002010000000000, 0.0017709200000000 ] - [ 0.0006833600000000, 0.0011409000000000, -0.0011585200000000 ] - [ -0.0000004800000000, 0.0014799100000000, -0.0005325400000000 ] - [ 0.0112619200000000, 0.0010011500000000, 0.0091118100000000 ] - [ -0.0006028600000000, -0.0014253800000000, -0.0011089300000000 ] - [ 0.0003549100000000, 0.0023182700000000, 0.0019333700000000 ] - [ -0.0005763300000000, 0.0017552100000000, -0.0013810400000000 ] - [ 0.0003949500000000, -0.0010033600000000, 0.0011751500000000 ] - [ -0.0002418400000000, -0.0013547900000000, -0.0016220600000000 ] - [ 0.0007122200000000, 0.0014380400000000, 0.0009357300000000 ] - [ -0.0001574300000000, 0.0006008300000000, 0.0001187000000000 ] - [ -0.0000902900000000, 0.0003409600000000, 0.0000888800000000 ] - [ -0.0000981300000000, 0.0000004600000000, -0.0000144300000000 ] - [ 0.0002936100000000, 0.0000011700000000, -0.0001702800000000 ] - [ 0.0003693800000000, -0.0000967900000000, 0.0003498500000000 ] - [ 0.0003779300000000, 0.0001616300000000, 0.0003504600000000 ] - [ 0.0000324800000000, 0.0000023100000000, -0.0004732300000000 ] - [ -0.0007828100000000, 0.0000045300000000, -0.0002266600000000 ] - [ 0.0025855900000000, 0.0006415500000000, -0.0018875300000000 ] - [ -0.0025746700000000, 0.0006438200000000, 0.0018846700000000 ] - [ -0.0002949000000000, -0.0009729800000000, -0.0001734100000000 ] - [ -0.0001753000000000, 0.0005074800000000, 0.0004550700000000 ] - [ -0.0000469200000000, 0.0002161800000000, -0.0003133400000000 ] - [ 0.0003725500000000, -0.0005654600000000, 0.0002288200000000 ] - [ 0.0000121500000000, -0.0001415000000000, -0.0002524400000000 ] - [ 0.0004332200000000, 0.0006441300000000, 0.0002922900000000 ] - [ -0.0002038700000000, 0.0009245900000000, -0.0004249900000000 ] - [ -0.0000909400000000, -0.0005416600000000, 0.0001914600000000 ] - [ -0.0000293600000000, -0.0003040000000000, 0.0003037100000000 ] - [ -0.0001072400000000, -0.0000245200000000, 0.0001458700000000 ] - [ 0.0066081300000000, -0.0016904400000000, 0.0031397200000000 ] - [ -0.0011136100000000, 0.0021282200000000, -0.0000653000000000 ] - [ 0.0011320700000000, 0.0015482600000000, 0.0000671500000000 ] - [ -0.0065919600000000, -0.0022550000000000, -0.0031523300000000 ] - [ -0.0002164200000000, 0.0000260700000000, -0.0001878600000000 ] - [ 0.0001018600000000, 0.0000271800000000, -0.0001788400000000 ] - [ 0.0000564300000000, -0.0005017700000000, 0.0001808900000000 ] - [ 0.0000603900000000, 0.0003112500000000, 0.0001838100000000 ] - [ 0.0001418100000000, -0.0000898700000000, -0.0000985100000000 ] - [ 0.0000040700000000, -0.0003137700000000, 0.0000214500000000 ] - [ -0.0001638900000000, -0.0003681600000000, 0.0000391800000000 ] - [ -0.0001175100000000, -0.0000887200000000, 0.0000065400000000 ] - [ -0.0001175400000000, 0.0003672400000000, 0.0000628700000000 ] - [ -0.0000721900000000, 0.0000904500000000, 0.0000287700000000 ] - [ 0.0002283600000000, 0.0001392400000000, -0.0000910400000000 ] - [ 0.0000965000000000, 0.0003708800000000, 0.0000297200000000 ] - [ -0.0000325200000000, 0.0003030100000000, 0.0003054000000000 ] - [ -0.0001096600000000, 0.0000277900000000, 0.0001501300000000 ] - [ 0.0004145900000000, -0.0004168600000000, 0.0001649300000000 ] - [ -0.0001681800000000, 0.0006014700000000, -0.0005170000000000 ] - [ 0.0003096500000000, 0.0002708900000000, 0.0000664200000000 ] - [ -0.0002720900000000, -0.0007345400000000, -0.0006062300000000 ] - [ 0.0015214100000000, -0.0002749800000000, -0.0007179000000000 ] - [ -0.0004563200000000, -0.0002847500000000, -0.0000098400000000 ] - [ -0.0002428300000000, 0.0244138300000000, 0.0007598500000000 ] - [ -0.0005158800000000, -0.0023050000000000, 0.0003721600000000 ] - [ 0.0005264200000000, 0.0001794100000000, -0.0003603600000000 ] - [ 0.0005231200000000, -0.0002802000000000, -0.0003614200000000 ] - [ -0.0005317900000000, -0.0000349100000000, 0.0004164900000000 ] - [ -0.0005190700000000, -0.0000407100000000, 0.0003048900000000 ] - [ -0.0003237400000000, 0.0001873300000000, -0.0007742400000000 ] - [ -0.0001960200000000, -0.0001930600000000, 0.0004727500000000 ] - [ 0.0002571500000000, 0.0017460800000000, 0.0002018400000000 ] - [ 0.0002636400000000, -0.0007837200000000, 0.0001981400000000 ] - [ -0.0002583000000000, 0.0002068700000000, -0.0001967300000000 ] - [ -0.0002587700000000, -0.0001969600000000, -0.0001973100000000 ] - [ -0.0003543700000000, -0.0002286200000000, 0.0000513100000000 ] - [ 0.0008691200000000, -0.0002366000000000, 0.0003466400000000 ] - [ 0.0003450500000000, 0.0017472700000000, 0.0003247500000000 ] - [ 0.0003533500000000, -0.0018052400000000, 0.0003358200000000 ] - [ 0.0008062700000000, -0.0061412600000000, 0.0066973200000000 ] - [ -0.0015195500000000, -0.0061779900000000, -0.0073748200000000 ] - [ 0.0000096800000000, -0.0000322700000000, -0.0005415400000000 ] - [ -0.0009682400000000, -0.0000381300000000, 0.0002332800000000 ] - [ 0.0004670100000000, 0.0168166000000000, 0.0001784700000000 ] - [ 0.0004697100000000, -0.0042953400000000, 0.0001660300000000 ] - [ -0.0000941900000000, 0.0042047600000000, -0.0005519900000000 ] - [ -0.0000920400000000, -0.0036637800000000, -0.0005495800000000 ] - [ 0.0023865900000000, -0.0035102900000000, 0.0041487900000000 ] - [ -0.0021651000000000, -0.0035534500000000, -0.0030613000000000 ] - [ -0.0018932500000000, -0.0000418400000000, 0.0011358900000000 ] - [ 0.0025781100000000, -0.0000585100000000, -0.0004632600000000 ] - [ -0.0003472400000000, 0.0006111700000000, -0.0003411800000000 ] - [ -0.0003482000000000, -0.0006721200000000, -0.0003407500000000 ] - [ -0.0004871300000000, 0.0055068900000000, -0.0001418000000000 ] - [ -0.0004935200000000, -0.0024331000000000, -0.0001635600000000 ] - [ 0.0019048000000000, -0.0000615500000000, -0.0000604800000000 ] - [ -0.0009413300000000, -0.0000647400000000, 0.0003702300000000 ] - [ -0.0001865200000000, 0.0000151900000000, -0.0005587500000000 ] - [ -0.0000081400000000, 0.0000108200000000, -0.0005232900000000 ] - [ 0.0001162600000000, 0.0011683200000000, 0.0005312300000000 ] - [ 0.0000902100000000, -0.0008118000000000, 0.0005410200000000 ]- atom: 25 displacement: [ -0.0011848924261905, 0.0000000000000000, 0.0099295533604667 ] forces: - [ 0.0012213700000000, -0.0003989100000000, -0.0003594800000000 ] - [ 0.0012213700000000, 0.0003989100000000, -0.0003594800000000 ] - [ 0.0001528000000000, 0.0000000000000000, 0.0047707900000000 ] - [ -0.0002508500000000, 0.0000000000000000, 0.0003564800000000 ] - [ 0.0001026000000000, -0.0013676300000000, 0.0002378800000000 ] - [ 0.0001026000000000, 0.0013676300000000, 0.0002378800000000 ] - [ -0.0022854000000000, 0.0000000000000000, 0.0011461100000000 ] - [ -0.0008972700000000, 0.0000000000000000, 0.0001754700000000 ] - [ 0.0008987200000000, 0.0000000000000000, -0.0000734900000000 ] - [ 0.0003534100000000, 0.0000000000000000, 0.0000161000000000 ] - [ -0.0003069300000000, -0.0000819000000000, 0.0002772700000000 ] - [ -0.0000649600000000, 0.0004300700000000, 0.0009374800000000 ] - [ -0.0093034500000000, -0.0111226800000000, 0.0081640100000000 ] - [ 0.0000375100000000, 0.0010953400000000, -0.0011330500000000 ] - [ 0.0000375100000000, -0.0010953400000000, -0.0011330500000000 ] - [ -0.0093034500000000, 0.0111226800000000, 0.0081640100000000 ] - [ -0.0000649600000000, -0.0004300700000000, 0.0009374800000000 ] - [ -0.0003069300000000, 0.0000819000000000, 0.0002772700000000 ] - [ 0.0001502400000000, -0.0013332000000000, 0.0015054500000000 ] - [ -0.0001147300000000, -0.0012143700000000, 0.0027220900000000 ] - [ -0.0000180900000000, 0.0001966300000000, -0.0001297100000000 ] - [ 0.0000100000000000, 0.0002733500000000, -0.0001216400000000 ] - [ 0.0000100000000000, -0.0002733500000000, -0.0001216400000000 ] - [ -0.0000180900000000, -0.0001966300000000, -0.0001297100000000 ] - [ -0.0524659500000000, 0.0000000000000000, -0.1603728600000000 ] - [ -0.0003727500000000, 0.0000000000000000, -0.0017658500000000 ] - [ -0.0007039900000000, -0.0000159400000000, -0.0002395400000000 ] - [ -0.0007039900000000, 0.0000159400000000, -0.0002395400000000 ] - [ -0.0017119600000000, -0.0021268800000000, -0.0088360700000000 ] - [ -0.0004713900000000, 0.0003468200000000, -0.0007394500000000 ] - [ -0.0004895700000000, 0.0004062100000000, 0.0007480800000000 ] - [ -0.0022278100000000, -0.0017101400000000, 0.0028108800000000 ] - [ -0.0022278100000000, 0.0017101400000000, 0.0028108800000000 ] - [ -0.0004895700000000, -0.0004062100000000, 0.0007480800000000 ] - [ -0.0004713900000000, -0.0003468200000000, -0.0007394500000000 ] - [ -0.0017119600000000, 0.0021268800000000, -0.0088360700000000 ] - [ -0.0001147300000000, 0.0012143700000000, 0.0027220900000000 ] - [ 0.0001502400000000, 0.0013332000000000, 0.0015054500000000 ] - [ 0.0001914400000000, -0.0009813500000000, 0.0005170000000000 ] - [ 0.0017512200000000, 0.0020236700000000, 0.0008221100000000 ] - [ 0.0017512200000000, -0.0020236700000000, 0.0008221100000000 ] - [ 0.0001914400000000, 0.0009813500000000, 0.0005170000000000 ] - [ -0.0020377800000000, 0.0000000000000000, 0.0019425800000000 ] - [ 0.0000462300000000, 0.0000000000000000, -0.0001338500000000 ] - [ 0.0004371400000000, -0.0000009800000000, -0.0001763900000000 ] - [ 0.0004371400000000, 0.0000009800000000, -0.0001763900000000 ] - [ 0.0003404200000000, 0.0000000000000000, 0.0003014600000000 ] - [ 0.0007195200000000, 0.0000000000000000, 0.0003084400000000 ] - [ -0.0000960500000000, 0.0001178000000000, -0.0001252600000000 ] - [ -0.0000960500000000, -0.0001178000000000, -0.0001252600000000 ] - [ -0.0021737700000000, -0.0004133400000000, 0.0017610300000000 ] - [ -0.0021737700000000, 0.0004133400000000, 0.0017610300000000 ] - [ 0.0007835900000000, 0.0015738100000000, 0.0018158900000000 ] - [ -0.0000938400000000, -0.0000310000000000, 0.0005087500000000 ] - [ 0.0004339100000000, -0.0004408200000000, 0.0001634300000000 ] - [ 0.0004140500000000, -0.0002735900000000, 0.0000437200000000 ] - [ 0.0004140500000000, 0.0002735900000000, 0.0000437200000000 ] - [ 0.0004339100000000, 0.0004408200000000, 0.0001634300000000 ] - [ -0.0000938400000000, 0.0000310000000000, 0.0005087500000000 ] - [ 0.0007835900000000, -0.0015738100000000, 0.0018158900000000 ] - [ 0.0002089000000000, -0.0003928300000000, 0.0005558000000000 ] - [ 0.0001213500000000, -0.0003551300000000, 0.0004594000000000 ] - [ 0.0076754700000000, 0.0017392000000000, 0.0001921500000000 ] - [ 0.0004884600000000, -0.0004397600000000, -0.0002945700000000 ] - [ 0.0004884600000000, 0.0004397600000000, -0.0002945700000000 ] - [ 0.0076754700000000, -0.0017392000000000, 0.0001921500000000 ] - [ 0.0002572800000000, -0.0000147700000000, -0.0001770800000000 ] - [ 0.0002572800000000, 0.0000147700000000, -0.0001770800000000 ] - [ 0.0014450000000000, 0.0000000000000000, 0.0008689600000000 ] - [ 0.0002366800000000, 0.0000000000000000, 0.0003901500000000 ] - [ 0.0002881600000000, -0.0002459500000000, -0.0001640000000000 ] - [ 0.0002839100000000, -0.0002355100000000, -0.0002019200000000 ] - [ 0.0002612800000000, 0.0000255600000000, 0.0001190500000000 ] - [ 0.0000750000000000, -0.0002154100000000, 0.0001305000000000 ] - [ 0.0000750000000000, 0.0002154100000000, 0.0001305000000000 ] - [ 0.0002612800000000, -0.0000255600000000, 0.0001190500000000 ] - [ 0.0002839100000000, 0.0002355100000000, -0.0002019200000000 ] - [ 0.0002881600000000, 0.0002459500000000, -0.0001640000000000 ] - [ 0.0001213500000000, 0.0003551300000000, 0.0004594000000000 ] - [ 0.0002089000000000, 0.0003928300000000, 0.0005558000000000 ] - [ 0.0000604500000000, 0.0001005800000000, 0.0000580400000000 ] - [ 0.0001178300000000, 0.0000527300000000, -0.0000330600000000 ] - [ 0.0001178300000000, -0.0000527300000000, -0.0000330600000000 ] - [ 0.0000604500000000, -0.0001005800000000, 0.0000580400000000 ] - [ 0.0019624800000000, -0.0009349600000000, -0.0008655700000000 ] - [ 0.0019624800000000, 0.0009349600000000, -0.0008655700000000 ] - [ 0.0842052100000000, 0.0000000000000000, 0.1374278800000000 ] - [ 0.0005800200000000, 0.0000000000000000, 0.0017912400000000 ] - [ -0.0004531700000000, 0.0000000000000000, -0.0008908100000000 ] - [ 0.0002763500000000, 0.0000000000000000, -0.0005375300000000 ] - [ -0.0008552000000000, 0.0000489300000000, 0.0003738300000000 ] - [ -0.0008552000000000, -0.0000489300000000, 0.0003738300000000 ] - [ 0.0000782800000000, -0.0050184100000000, 0.0016920700000000 ] - [ 0.0000782800000000, 0.0050184100000000, 0.0016920700000000 ] - [ 0.0023547100000000, 0.0000000000000000, 0.0012068000000000 ] - [ 0.0006038500000000, 0.0000000000000000, 0.0004568800000000 ] - [ -0.0005776400000000, 0.0000000000000000, -0.0000423600000000 ] - [ -0.0004830000000000, 0.0000000000000000, -0.0001132900000000 ] - [ -0.0005089700000000, -0.0005604700000000, 0.0003687900000000 ] - [ -0.0005089700000000, 0.0005604700000000, 0.0003687900000000 ] - [ -0.0007092300000000, 0.0000000000000000, -0.0038186000000000 ] - [ 0.0003164700000000, 0.0000000000000000, -0.0012068300000000 ] - [ -0.0004432200000000, 0.0053503200000000, -0.0057806100000000 ] - [ -0.0004432200000000, -0.0053503200000000, -0.0057806100000000 ] - [ -0.0003328400000000, 0.0004378500000000, -0.0005205600000000 ] - [ -0.0003328400000000, -0.0004378500000000, -0.0005205600000000 ] - [ -0.0215047000000000, 0.0000000000000000, 0.0228778100000000 ] - [ 0.0004768600000000, 0.0000000000000000, 0.0026456300000000 ] - [ 0.0038289900000000, 0.0000000000000000, -0.0083945300000000 ] - [ -0.0000685000000000, 0.0000000000000000, -0.0026265100000000 ] - [ -0.0002882800000000, 0.0045138100000000, 0.0004983800000000 ] - [ -0.0002882800000000, -0.0045138100000000, 0.0004983800000000 ] - [ 0.0012987700000000, -0.0008916600000000, -0.0019647600000000 ] - [ 0.0012987700000000, 0.0008916600000000, -0.0019647600000000 ] - [ -0.0014948300000000, 0.0000000000000000, -0.0006101800000000 ] - [ -0.0010729400000000, 0.0000000000000000, -0.0007079800000000 ] - [ -0.0055859500000000, 0.0000000000000000, -0.0062187600000000 ] - [ -0.0008186900000000, 0.0000000000000000, -0.0011469100000000 ] - [ -0.0007281800000000, 0.0001634400000000, 0.0006442300000000 ] - [ -0.0007281800000000, -0.0001634400000000, 0.0006442300000000 ] - [ -0.0008397700000000, -0.0000965700000000, -0.0009592700000000 ] - [ -0.0008397700000000, 0.0000965700000000, -0.0009592700000000 ] - [ 0.0005192800000000, 0.0000000000000000, 0.0007702500000000 ] - [ -0.0001512800000000, 0.0000000000000000, 0.0005967400000000 ]- atom: 25 displacement: [ 0.0011848924261905, 0.0000000000000000, -0.0099295533604667 ] forces: - [ -0.0014297000000000, 0.0003983200000000, 0.0005505200000000 ] - [ -0.0014297000000000, -0.0003983200000000, 0.0005505200000000 ] - [ 0.0000771900000000, 0.0000000000000000, -0.0049206200000000 ] - [ 0.0004589800000000, 0.0000000000000000, -0.0005481700000000 ] - [ 0.0006752300000000, 0.0013682700000000, 0.0004589400000000 ] - [ 0.0006752300000000, -0.0013682700000000, 0.0004589400000000 ] - [ 0.0015333300000000, 0.0000000000000000, -0.0018474300000000 ] - [ 0.0001460700000000, 0.0000000000000000, -0.0008715900000000 ] - [ -0.0009160800000000, 0.0000000000000000, 0.0000788200000000 ] - [ -0.0003603500000000, 0.0000000000000000, -0.0000138700000000 ] - [ -0.0000786900000000, -0.0003463400000000, -0.0002574500000000 ] - [ -0.0003230200000000, -0.0008644100000000, -0.0009229500000000 ] - [ 0.0098364400000000, 0.0108349000000000, -0.0081993200000000 ] - [ 0.0003470000000000, -0.0015248800000000, 0.0011150400000000 ] - [ 0.0003470000000000, 0.0015248800000000, 0.0011150400000000 ] - [ 0.0098364400000000, -0.0108349000000000, -0.0081993200000000 ] - [ -0.0003230200000000, 0.0008644100000000, -0.0009229500000000 ] - [ -0.0000786900000000, 0.0003463400000000, -0.0002574500000000 ] - [ -0.0002875900000000, 0.0009997100000000, -0.0010478000000000 ] - [ -0.0000192200000000, 0.0008765700000000, -0.0022602900000000 ] - [ 0.0000156400000000, 0.0003982900000000, 0.0001268600000000 ] - [ -0.0000139800000000, 0.0003195300000000, 0.0001189100000000 ] - [ -0.0000139800000000, -0.0003195300000000, 0.0001189100000000 ] - [ 0.0000156400000000, -0.0003982900000000, 0.0001268600000000 ] - [ 0.0558929000000000, 0.0000000000000000, 0.1634298000000000 ] - [ 0.0002633000000000, 0.0000000000000000, 0.0014039800000000 ] - [ 0.0008154900000000, 0.0000174800000000, 0.0006035500000000 ] - [ 0.0008154900000000, -0.0000174800000000, 0.0006035500000000 ] - [ 0.0019792300000000, 0.0017412300000000, 0.0088807100000000 ] - [ 0.0007159500000000, -0.0008139200000000, 0.0006653000000000 ] - [ 0.0002551000000000, -0.0008673200000000, -0.0006783100000000 ] - [ 0.0019812500000000, 0.0012343300000000, -0.0027225900000000 ] - [ 0.0019812500000000, -0.0012343300000000, -0.0027225900000000 ] - [ 0.0002551000000000, 0.0008673200000000, -0.0006783100000000 ] - [ 0.0007159500000000, 0.0008139200000000, 0.0006653000000000 ] - [ 0.0019792300000000, -0.0017412300000000, 0.0088807100000000 ] - [ -0.0000192200000000, -0.0008765700000000, -0.0022602900000000 ] - [ -0.0002875900000000, -0.0009997100000000, -0.0010478000000000 ] - [ -0.0000487800000000, 0.0013182400000000, -0.0009729200000000 ] - [ -0.0016271500000000, -0.0017153100000000, -0.0012867100000000 ] - [ -0.0016271500000000, 0.0017153100000000, -0.0012867100000000 ] - [ -0.0000487800000000, -0.0013182400000000, -0.0009729200000000 ] - [ 0.0016553700000000, 0.0000000000000000, -0.0016926500000000 ] - [ -0.0002442500000000, 0.0000000000000000, 0.0003217000000000 ] - [ -0.0002449100000000, 0.0000010300000000, -0.0000102800000000 ] - [ -0.0002449100000000, -0.0000010300000000, -0.0000102800000000 ] - [ 0.0003864000000000, 0.0000000000000000, 0.0003933200000000 ] - [ 0.0000305900000000, 0.0000000000000000, 0.0003879200000000 ] - [ -0.0006645700000000, -0.0001192700000000, -0.0005695800000000 ] - [ -0.0006645700000000, 0.0001192700000000, -0.0005695800000000 ] - [ 0.0021809500000000, 0.0004101600000000, -0.0017641500000000 ] - [ 0.0021809500000000, -0.0004101600000000, -0.0017641500000000 ] - [ -0.0011683600000000, -0.0020066500000000, -0.0017981500000000 ] - [ -0.0002889700000000, -0.0003950700000000, -0.0004866200000000 ] - [ -0.0000533400000000, 0.0000136200000000, -0.0001860700000000 ] - [ -0.0000355600000000, -0.0001524600000000, -0.0000669300000000 ] - [ -0.0000355600000000, 0.0001524600000000, -0.0000669300000000 ] - [ -0.0000533400000000, -0.0000136200000000, -0.0001860700000000 ] - [ -0.0002889700000000, 0.0003950700000000, -0.0004866200000000 ] - [ -0.0011683600000000, 0.0020066500000000, -0.0017981500000000 ] - [ -0.0003552400000000, 0.0000612300000000, -0.0001024400000000 ] - [ -0.0002668100000000, 0.0000249700000000, -0.0000070600000000 ] - [ -0.0076450800000000, -0.0011204100000000, -0.0002246100000000 ] - [ -0.0004882400000000, 0.0010369200000000, 0.0002959300000000 ] - [ -0.0004882400000000, -0.0010369200000000, 0.0002959300000000 ] - [ -0.0076450800000000, 0.0011204100000000, -0.0002246100000000 ] - [ -0.0003780000000000, 0.0000136100000000, -0.0001896400000000 ] - [ -0.0003780000000000, -0.0000136100000000, -0.0001896400000000 ] - [ -0.0013355700000000, 0.0000000000000000, -0.0005102400000000 ] - [ -0.0001233000000000, 0.0000000000000000, -0.0000270100000000 ] - [ -0.0000470900000000, -0.0002195000000000, 0.0000887600000000 ] - [ -0.0000503500000000, -0.0002209600000000, 0.0001258900000000 ] - [ -0.0005049900000000, -0.0004904900000000, -0.0000458800000000 ] - [ -0.0003184900000000, -0.0002485000000000, -0.0000558000000000 ] - [ -0.0003184900000000, 0.0002485000000000, -0.0000558000000000 ] - [ -0.0005049900000000, 0.0004904900000000, -0.0000458800000000 ] - [ -0.0000503500000000, 0.0002209600000000, 0.0001258900000000 ] - [ -0.0000470900000000, 0.0002195000000000, 0.0000887600000000 ] - [ -0.0002668100000000, -0.0000249700000000, -0.0000070600000000 ] - [ -0.0003552400000000, -0.0000612300000000, -0.0001024400000000 ] - [ 0.0000833200000000, 0.0002192700000000, -0.0005024700000000 ] - [ 0.0000248200000000, 0.0002814800000000, -0.0004222000000000 ] - [ 0.0000248200000000, -0.0002814800000000, -0.0004222000000000 ] - [ 0.0000833200000000, -0.0002192700000000, -0.0005024700000000 ] - [ -0.0009098600000000, 0.0009289200000000, 0.0001447400000000 ] - [ -0.0009098600000000, -0.0009289200000000, 0.0001447400000000 ] - [ -0.0895826900000000, 0.0000000000000000, -0.1404653100000000 ] - [ -0.0016441200000000, 0.0000000000000000, -0.0010679700000000 ] - [ 0.0015165700000000, 0.0000000000000000, 0.0001667300000000 ] - [ 0.0007835000000000, 0.0000000000000000, -0.0001875300000000 ] - [ -0.0001950900000000, -0.0000425500000000, 0.0003518600000000 ] - [ -0.0001950900000000, 0.0000425500000000, 0.0003518600000000 ] - [ -0.0006151300000000, 0.0050546400000000, -0.0020547700000000 ] - [ -0.0006151300000000, -0.0050546400000000, -0.0020547700000000 ] - [ -0.0018207600000000, 0.0000000000000000, -0.0008271400000000 ] - [ -0.0000828700000000, 0.0000000000000000, -0.0000737200000000 ] - [ 0.0000634800000000, 0.0000000000000000, -0.0003389900000000 ] - [ -0.0000331100000000, 0.0000000000000000, -0.0002695200000000 ] - [ 0.0010312300000000, 0.0005653100000000, 0.0000167200000000 ] - [ 0.0010312300000000, -0.0005653100000000, 0.0000167200000000 ] - [ 0.0014509900000000, 0.0000000000000000, 0.0045247400000000 ] - [ 0.0004045600000000, 0.0000000000000000, 0.0018913500000000 ] - [ -0.0002945400000000, -0.0053433600000000, 0.0050896300000000 ] - [ -0.0002945400000000, 0.0053433600000000, 0.0050896300000000 ] - [ -0.0006138800000000, -0.0004417800000000, 0.0002063100000000 ] - [ -0.0006138800000000, 0.0004417800000000, 0.0002063100000000 ] - [ 0.0230107000000000, 0.0000000000000000, -0.0224802700000000 ] - [ 0.0004731100000000, 0.0000000000000000, -0.0023327200000000 ] - [ -0.0040637800000000, 0.0000000000000000, 0.0072889300000000 ] - [ -0.0001509700000000, 0.0000000000000000, 0.0015292200000000 ] - [ 0.0004963300000000, -0.0045489400000000, 0.0005938700000000 ] - [ 0.0004963300000000, 0.0045489400000000, 0.0005938700000000 ] - [ -0.0005852500000000, 0.0009035900000000, 0.0026407900000000 ] - [ -0.0005852500000000, -0.0009035900000000, 0.0026407900000000 ] - [ 0.0008053100000000, 0.0000000000000000, -0.0000773300000000 ] - [ 0.0003681100000000, 0.0000000000000000, 0.0000262500000000 ] - [ 0.0046163000000000, 0.0000000000000000, 0.0059201500000000 ] - [ -0.0001447100000000, 0.0000000000000000, 0.0008310400000000 ] - [ 0.0016998500000000, -0.0001635200000000, -0.0003243500000000 ] - [ 0.0016998500000000, 0.0001635200000000, -0.0003243500000000 ] - [ 0.0006416600000000, 0.0000983200000000, -0.0001355100000000 ] - [ 0.0006416600000000, -0.0000983200000000, -0.0001355100000000 ] - [ -0.0002502900000000, 0.0000000000000000, 0.0003012200000000 ] - [ 0.0003608900000000, 0.0000000000000000, 0.0004979500000000 ]- atom: 29 displacement: [ 0.0099999983100469, 0.0000000000000000, 0.0000058136957938 ] forces: - [ 0.0164464300000000, -0.0107497000000000, 0.0015003600000000 ] - [ -0.0022532300000000, -0.0001412300000000, 0.0007496300000000 ] - [ -0.0007108900000000, 0.0000101900000000, 0.0007388200000000 ] - [ -0.0001882900000000, 0.0000531300000000, 0.0000298000000000 ] - [ 0.0007912700000000, 0.0107379700000000, -0.0111100300000000 ] - [ -0.0016092200000000, -0.0024641700000000, -0.0000408100000000 ] - [ -0.0038303600000000, 0.0005086900000000, -0.0005509000000000 ] - [ -0.0028601000000000, -0.0002902500000000, 0.0000364200000000 ] - [ 0.0009567400000000, 0.0005048500000000, 0.0000147700000000 ] - [ 0.0004414300000000, -0.0004238700000000, 0.0000452600000000 ] - [ -0.0005111400000000, -0.0011933600000000, -0.0004377200000000 ] - [ 0.0000133400000000, 0.0010718700000000, -0.0000416900000000 ] - [ 0.0010606700000000, 0.0015007400000000, -0.0018105900000000 ] - [ 0.0003034300000000, -0.0009170000000000, 0.0001658600000000 ] - [ 0.0005215200000000, 0.0010887300000000, 0.0001482400000000 ] - [ 0.0016992400000000, -0.0022494000000000, -0.0021836100000000 ] - [ 0.0000243300000000, 0.0002690900000000, 0.0002943000000000 ] - [ -0.0003530300000000, -0.0006502400000000, 0.0007188700000000 ] - [ -0.0003600200000000, 0.0016428400000000, -0.0019362100000000 ] - [ -0.0004118700000000, 0.0001836400000000, -0.0011924800000000 ] - [ 0.0002951500000000, -0.0005066100000000, -0.0010809600000000 ] - [ 0.0007627700000000, 0.0014136100000000, 0.0004215200000000 ] - [ 0.0009863200000000, -0.0006830400000000, -0.0014795100000000 ] - [ 0.0000185300000000, -0.0001870200000000, 0.0003156700000000 ] - [ 0.0164932800000000, -0.0113737800000000, -0.0000789900000000 ] - [ -0.0011104700000000, 0.0001118700000000, -0.0009193100000000 ] - [ -0.0007686800000000, -0.0010560000000000, -0.0020177700000000 ] - [ -0.0009707200000000, 0.0008050700000000, -0.0003026400000000 ] - [ -0.1091644200000000, 0.0776950900000000, 0.0398370400000000 ] - [ -0.0006183900000000, -0.0011660900000000, 0.0001726700000000 ] - [ -0.0014969900000000, -0.0006548200000000, 0.0003158500000000 ] - [ -0.0014944100000000, -0.0002672500000000, 0.0001119800000000 ] - [ -0.0021804300000000, 0.0007546100000000, 0.0004217100000000 ] - [ -0.0009684600000000, 0.0003892000000000, 0.0001256700000000 ] - [ -0.0032227200000000, -0.0029447800000000, -0.0001144000000000 ] - [ -0.0085014500000000, 0.0006139800000000, 0.0025504500000000 ] - [ -0.0005771300000000, -0.0003168700000000, -0.0012191300000000 ] - [ -0.0006007300000000, -0.0008333900000000, -0.0008544500000000 ] - [ 0.0029132400000000, -0.0103990800000000, 0.0069958400000000 ] - [ -0.0022198100000000, 0.0016214600000000, -0.0023144000000000 ] - [ 0.0003280200000000, 0.0029360500000000, 0.0125554100000000 ] - [ -0.0010979300000000, -0.0026049000000000, -0.0018838800000000 ] - [ 0.0046168500000000, -0.0000643400000000, -0.0015141700000000 ] - [ 0.0011934800000000, -0.0000053000000000, -0.0003680300000000 ] - [ 0.0018541900000000, -0.0000864500000000, -0.0008967500000000 ] - [ 0.0010473000000000, 0.0000528600000000, -0.0004074600000000 ] - [ 0.0026497400000000, 0.0001931100000000, 0.0002421900000000 ] - [ 0.0021120100000000, -0.0002593400000000, 0.0002531300000000 ] - [ 0.0013609200000000, 0.0000720900000000, -0.0005099100000000 ] - [ 0.0011302500000000, -0.0000650400000000, -0.0004838200000000 ] - [ 0.0017070100000000, 0.0003246900000000, -0.0010152300000000 ] - [ 0.0014259500000000, -0.0002413000000000, -0.0007760000000000 ] - [ 0.0005490800000000, 0.0005175900000000, 0.0007542200000000 ] - [ 0.0002275500000000, -0.0001241100000000, 0.0001857000000000 ] - [ 0.0022251600000000, -0.0028350500000000, 0.0019561000000000 ] - [ 0.0005318300000000, 0.0002582600000000, -0.0000249400000000 ] - [ 0.0018782900000000, 0.0019650400000000, 0.0015287300000000 ] - [ 0.0003822400000000, -0.0001273200000000, -0.0000825600000000 ] - [ 0.0002451200000000, 0.0001801000000000, 0.0001940800000000 ] - [ 0.0005128100000000, -0.0004964900000000, 0.0007831500000000 ] - [ 0.0005374200000000, -0.0004142400000000, 0.0007269100000000 ] - [ 0.0004786200000000, -0.0007810800000000, 0.0008193400000000 ] - [ 0.0013957800000000, 0.0004182600000000, 0.0013709600000000 ] - [ 0.0002321400000000, 0.0001962100000000, 0.0002736500000000 ] - [ 0.0010679800000000, 0.0007534500000000, 0.0002763100000000 ] - [ 0.0022308700000000, -0.0008181200000000, 0.0019754600000000 ] - [ 0.0019089800000000, -0.0001110300000000, 0.0002092000000000 ] - [ 0.0005319700000000, 0.0000224600000000, 0.0000459600000000 ] - [ 0.0011816100000000, 0.0000459400000000, 0.0007125000000000 ] - [ 0.0008155100000000, -0.0000000600000000, 0.0004802200000000 ] - [ 0.0008177100000000, -0.0005512500000000, -0.0000288000000000 ] - [ 0.0008183900000000, -0.0004962800000000, -0.0000369100000000 ] - [ 0.0005476800000000, 0.0000818600000000, 0.0000620900000000 ] - [ 0.0003734600000000, -0.0001326700000000, 0.0000806600000000 ] - [ 0.0004577600000000, 0.0000087900000000, 0.0000648300000000 ] - [ 0.0004445200000000, 0.0000431200000000, 0.0000647600000000 ] - [ 0.0009871100000000, 0.0007574900000000, -0.0000206900000000 ] - [ 0.0006001300000000, 0.0002648900000000, -0.0000684900000000 ] - [ 0.0004626700000000, 0.0003915600000000, 0.0006949400000000 ] - [ 0.0005540100000000, 0.0007703100000000, 0.0008356900000000 ] - [ 0.0006575300000000, 0.0001432100000000, -0.0000345000000000 ] - [ 0.0006187600000000, -0.0003331200000000, 0.0002305000000000 ] - [ 0.0006395500000000, 0.0002347600000000, 0.0002347600000000 ] - [ 0.0006269800000000, -0.0000401800000000, -0.0000305500000000 ] - [ 0.0038441200000000, 0.0002699400000000, 0.0006729800000000 ] - [ 0.0024794400000000, -0.0002157700000000, 0.0004021000000000 ] - [ 0.0744567500000000, -0.0643959400000000, -0.0427100300000000 ] - [ 0.0023878800000000, 0.0011313100000000, 0.0002992400000000 ] - [ -0.0008082700000000, -0.0000903500000000, -0.0007009900000000 ] - [ -0.0005164000000000, 0.0001052000000000, -0.0006165400000000 ] - [ -0.0024296300000000, -0.0001959500000000, -0.0001385000000000 ] - [ -0.0015407300000000, 0.0001641400000000, 0.0002530200000000 ] - [ 0.0022656900000000, -0.0024824000000000, -0.0006972900000000 ] - [ 0.0004131700000000, 0.0026882600000000, -0.0011854700000000 ] - [ 0.0039911300000000, -0.0002456700000000, -0.0004155600000000 ] - [ 0.0011982400000000, 0.0009453200000000, 0.0004641700000000 ] - [ -0.0014411700000000, -0.0004357600000000, -0.0001452200000000 ] - [ -0.0010808500000000, 0.0004114200000000, -0.0000782100000000 ] - [ -0.0008368500000000, -0.0002576900000000, 0.0001206600000000 ] - [ -0.0007124500000000, 0.0003537500000000, 0.0000695000000000 ] - [ 0.0011910600000000, -0.0069784500000000, -0.0023334400000000 ] - [ 0.0017425200000000, 0.0044695100000000, -0.0014682100000000 ] - [ -0.0037602800000000, -0.0020602000000000, 0.0038474800000000 ] - [ -0.0008643700000000, 0.0029814100000000, 0.0028699800000000 ] - [ -0.0013794100000000, 0.0015890700000000, 0.0016243500000000 ] - [ -0.0008718000000000, -0.0011017100000000, -0.0004713800000000 ] - [ -0.0109416900000000, -0.0009520500000000, 0.0029134300000000 ] - [ -0.0001984700000000, -0.0005487100000000, -0.0000575200000000 ] - [ 0.0038498200000000, -0.0003094200000000, 0.0010753200000000 ] - [ 0.0024688500000000, -0.0003476800000000, 0.0008686900000000 ] - [ 0.0150444900000000, 0.0114237500000000, -0.0059613500000000 ] - [ 0.0051353600000000, 0.0024717200000000, 0.0028672700000000 ] - [ -0.0022316200000000, -0.0005985600000000, 0.0001699300000000 ] - [ -0.0019542500000000, 0.0006042000000000, 0.0001025900000000 ] - [ -0.0034272900000000, -0.0016325400000000, -0.0015498000000000 ] - [ -0.0025572900000000, 0.0019214300000000, -0.0017999300000000 ] - [ -0.0023036800000000, -0.0002980900000000, -0.0033619200000000 ] - [ -0.0012794700000000, -0.0003720400000000, -0.0010995200000000 ] - [ -0.0102397300000000, 0.0011445100000000, 0.0020064100000000 ] - [ 0.0009402700000000, -0.0007151300000000, -0.0005879200000000 ] - [ -0.0027465500000000, -0.0000258500000000, -0.0008224600000000 ] - [ -0.0020183000000000, 0.0000236400000000, -0.0010134400000000 ] - [ -0.0037227000000000, -0.0002182800000000, 0.0008532400000000 ] - [ -0.0021573400000000, 0.0002265500000000, 0.0002805200000000 ]- atom: 29 displacement: [ -0.0099999983100469, 0.0000000000000000, -0.0000058136957938 ] forces: - [ -0.0168111500000000, 0.0109158700000000, -0.0013376700000000 ] - [ 0.0020612400000000, 0.0001372600000000, -0.0005569000000000 ] - [ 0.0008971500000000, -0.0000090100000000, -0.0009299100000000 ] - [ 0.0003759600000000, -0.0000535800000000, -0.0002216600000000 ] - [ -0.0001239700000000, -0.0106610200000000, 0.0117584700000000 ] - [ 0.0023612100000000, 0.0024552900000000, 0.0007323600000000 ] - [ 0.0030772100000000, -0.0005050500000000, -0.0001324200000000 ] - [ 0.0020967400000000, 0.0002858900000000, -0.0007198300000000 ] - [ -0.0009502700000000, -0.0005021600000000, -0.0000174100000000 ] - [ -0.0004276000000000, 0.0004222200000000, -0.0000495900000000 ] - [ 0.0001365400000000, 0.0007672800000000, 0.0004652100000000 ] - [ -0.0003942500000000, -0.0015043300000000, 0.0000655200000000 ] - [ -0.0006993400000000, -0.0019101700000000, 0.0017648900000000 ] - [ 0.0000741000000000, 0.0004810600000000, -0.0001863500000000 ] - [ -0.0001512100000000, -0.0006627900000000, -0.0001719600000000 ] - [ -0.0013141700000000, 0.0026699400000000, 0.0021511800000000 ] - [ -0.0004022900000000, 0.0001648100000000, -0.0002668500000000 ] - [ -0.0000244300000000, 0.0010686500000000, -0.0006850500000000 ] - [ 0.0002073400000000, -0.0019803000000000, 0.0023949900000000 ] - [ 0.0002633300000000, -0.0005115800000000, 0.0016411900000000 ] - [ -0.0002932800000000, 0.0011009700000000, 0.0010854900000000 ] - [ -0.0007655100000000, -0.0008246000000000, -0.0004208500000000 ] - [ -0.0009833700000000, 0.0000939600000000, 0.0014873500000000 ] - [ -0.0000182300000000, -0.0004076400000000, -0.0003120400000000 ] - [ -0.0163059400000000, 0.0110783300000000, -0.0002603500000000 ] - [ 0.0009860300000000, -0.0001137700000000, 0.0005343600000000 ] - [ 0.0008885400000000, 0.0010630300000000, 0.0024080100000000 ] - [ 0.0010880600000000, -0.0008131100000000, 0.0006853800000000 ] - [ 0.1081052600000000, -0.0755365200000000, -0.0386781100000000 ] - [ 0.0008635300000000, 0.0006953900000000, -0.0002473100000000 ] - [ 0.0012475600000000, 0.0001891900000000, -0.0002339900000000 ] - [ 0.0012495900000000, -0.0001982800000000, -0.0000300600000000 ] - [ 0.0019366700000000, -0.0002917600000000, -0.0003599600000000 ] - [ 0.0007212800000000, 0.0000720400000000, -0.0000469300000000 ] - [ 0.0034715000000000, 0.0033755000000000, 0.0000277500000000 ] - [ 0.0086764600000000, -0.0001417800000000, -0.0025640700000000 ] - [ 0.0004248100000000, 0.0006567000000000, 0.0016853200000000 ] - [ 0.0004493000000000, 0.0011573900000000, 0.0013066200000000 ] - [ -0.0027926300000000, 0.0106319600000000, -0.0073641700000000 ] - [ 0.0023636700000000, -0.0012928700000000, 0.0018584100000000 ] - [ -0.0001289400000000, -0.0032696100000000, -0.0130042600000000 ] - [ 0.0012459200000000, 0.0022647400000000, 0.0014262600000000 ] - [ -0.0047954400000000, 0.0000613100000000, 0.0017066100000000 ] - [ -0.0013916100000000, 0.0000051300000000, 0.0005647400000000 ] - [ -0.0016595300000000, 0.0000868200000000, 0.0007014200000000 ] - [ -0.0008523200000000, -0.0000538900000000, 0.0002118000000000 ] - [ -0.0018939700000000, -0.0001936300000000, 0.0004476600000000 ] - [ -0.0013574800000000, 0.0002597300000000, 0.0004363700000000 ] - [ -0.0021176600000000, -0.0000716600000000, -0.0001794100000000 ] - [ -0.0018851800000000, 0.0000648000000000, -0.0002061300000000 ] - [ -0.0017218000000000, -0.0003239400000000, 0.0010213600000000 ] - [ -0.0014274600000000, 0.0002401800000000, 0.0007756600000000 ] - [ -0.0009266800000000, -0.0009469900000000, -0.0007340800000000 ] - [ -0.0006073400000000, -0.0003104900000000, -0.0001697100000000 ] - [ -0.0018495300000000, 0.0024121500000000, -0.0019862300000000 ] - [ -0.0001532500000000, -0.0006931500000000, 0.0000042500000000 ] - [ -0.0015009800000000, -0.0015347600000000, -0.0015503900000000 ] - [ -0.0000036700000000, 0.0005590100000000, 0.0000643000000000 ] - [ -0.0006256600000000, 0.0002538300000000, -0.0001734700000000 ] - [ -0.0008914700000000, 0.0009281300000000, -0.0007605900000000 ] - [ -0.0006856400000000, 0.0000842300000000, -0.0002766600000000 ] - [ -0.0006260500000000, 0.0004508700000000, -0.0003688200000000 ] - [ -0.0013934200000000, 0.0001778600000000, -0.0013718700000000 ] - [ -0.0002330800000000, 0.0003940200000000, -0.0002773800000000 ] - [ -0.0010649400000000, -0.0013435700000000, -0.0002773800000000 ] - [ -0.0022122300000000, 0.0002235000000000, -0.0019616300000000 ] - [ -0.0020279900000000, 0.0001127600000000, -0.0005893300000000 ] - [ -0.0006501900000000, -0.0000231900000000, -0.0004249300000000 ] - [ -0.0010631100000000, -0.0000453700000000, -0.0003341100000000 ] - [ -0.0006992200000000, 0.0000000700000000, -0.0001038000000000 ] - [ -0.0005729500000000, 0.0000865600000000, -0.0000472300000000 ] - [ -0.0005723100000000, 0.0000303200000000, -0.0000383300000000 ] - [ -0.0007939500000000, -0.0005473500000000, 0.0000178800000000 ] - [ -0.0006201900000000, -0.0003336700000000, -0.0000005900000000 ] - [ -0.0007030300000000, 0.0004560100000000, 0.0000095300000000 ] - [ -0.0006912100000000, 0.0004227500000000, 0.0000127400000000 ] - [ -0.0007417000000000, -0.0002921400000000, -0.0000573500000000 ] - [ -0.0003548100000000, 0.0001994300000000, -0.0000100100000000 ] - [ -0.0006108400000000, -0.0000603900000000, -0.0002394300000000 ] - [ -0.0007027200000000, -0.0004418300000000, -0.0003819800000000 ] - [ -0.0005110100000000, 0.0001895400000000, -0.0004188800000000 ] - [ -0.0004711300000000, 0.0006624400000000, -0.0006809400000000 ] - [ -0.0004921300000000, -0.0005647400000000, -0.0006902100000000 ] - [ -0.0004787400000000, -0.0002910400000000, -0.0004254500000000 ] - [ -0.0027887700000000, -0.0002688700000000, -0.0014061300000000 ] - [ -0.0014212400000000, 0.0002225600000000, -0.0011334500000000 ] - [ -0.0743419700000000, 0.0618382800000000, 0.0419601200000000 ] - [ -0.0034341200000000, -0.0011112200000000, 0.0004302100000000 ] - [ 0.0018684000000000, 0.0000902100000000, -0.0000261400000000 ] - [ 0.0015772600000000, -0.0001048700000000, -0.0001097500000000 ] - [ 0.0013699400000000, 0.0001954000000000, 0.0008648700000000 ] - [ 0.0004795100000000, -0.0001631200000000, 0.0004735300000000 ] - [ -0.0026603500000000, 0.0025588100000000, 0.0004018000000000 ] - [ -0.0009408100000000, -0.0026701300000000, 0.0008013600000000 ] - [ -0.0035309500000000, 0.0001394400000000, 0.0009356700000000 ] - [ -0.0006700200000000, -0.0009444700000000, -0.0000802800000000 ] - [ 0.0009096500000000, 0.0004361100000000, -0.0002374500000000 ] - [ 0.0005481800000000, -0.0004118900000000, -0.0003045700000000 ] - [ 0.0013686400000000, 0.0002560400000000, 0.0002616400000000 ] - [ 0.0012428900000000, -0.0003510900000000, 0.0003124000000000 ] - [ -0.0004764800000000, 0.0069443800000000, 0.0029952200000000 ] - [ -0.0010401700000000, -0.0044341400000000, 0.0021151900000000 ] - [ 0.0030978500000000, 0.0020527400000000, -0.0045402100000000 ] - [ 0.0001472600000000, -0.0029688100000000, -0.0035443800000000 ] - [ 0.0004212200000000, -0.0015962500000000, -0.0019710900000000 ] - [ -0.0000801300000000, 0.0011133200000000, 0.0001329200000000 ] - [ 0.0118244600000000, 0.0009439200000000, -0.0025509800000000 ] - [ 0.0011582000000000, 0.0005539900000000, 0.0003945200000000 ] - [ -0.0040700300000000, 0.0002912500000000, -0.0021821700000000 ] - [ -0.0026791600000000, 0.0003581400000000, -0.0019781000000000 ] - [ -0.0147093300000000, -0.0112919800000000, 0.0070093700000000 ] - [ -0.0049219400000000, -0.0024505400000000, -0.0017672200000000 ] - [ 0.0029638300000000, 0.0005961700000000, 0.0005098500000000 ] - [ 0.0026792600000000, -0.0006019400000000, 0.0005799600000000 ] - [ 0.0027004900000000, 0.0016344600000000, 0.0008740700000000 ] - [ 0.0018228000000000, -0.0019249200000000, 0.0011256000000000 ] - [ 0.0013506600000000, 0.0002902000000000, 0.0030167300000000 ] - [ 0.0003319100000000, 0.0003715700000000, 0.0007689000000000 ] - [ 0.0112024000000000, -0.0011535900000000, -0.0016738500000000 ] - [ 0.0000105500000000, 0.0007210000000000, 0.0009188200000000 ] - [ 0.0025245400000000, 0.0000238100000000, -0.0002784100000000 ] - [ 0.0017959300000000, -0.0000223800000000, -0.0000865600000000 ] - [ 0.0039400700000000, 0.0002174500000000, 0.0002497200000000 ] - [ 0.0023807700000000, -0.0002262000000000, 0.0008192100000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0178028400000000, 0.0045514900000000, 0.0013111700000000 ] - [ 0.0034072000000000, 0.0013709900000000, -0.0005327700000000 ] - [ 0.0001411900000000, -0.0003697600000000, -0.0007022400000000 ] - [ 0.0007344100000000, 0.0003653200000000, -0.0003415400000000 ] - [ 0.0204932300000000, 0.0063538000000000, -0.0148677000000000 ] - [ -0.0010476600000000, 0.0046210300000000, 0.0026953700000000 ] - [ 0.0007054400000000, -0.0010949400000000, -0.0007502700000000 ] - [ 0.0009477200000000, 0.0011792500000000, -0.0011052000000000 ] - [ 0.0001253500000000, -0.0006722200000000, -0.0001186400000000 ] - [ -0.0015657200000000, 0.0007864600000000, 0.0002621200000000 ] - [ -0.0006490200000000, -0.0002426300000000, -0.0007659700000000 ] - [ 0.0003970200000000, -0.0004043700000000, -0.0006105600000000 ] - [ 0.0008257800000000, -0.0056456100000000, 0.0032815500000000 ] - [ -0.0003223200000000, 0.0022304800000000, -0.0011703900000000 ] - [ 0.0017209000000000, 0.0011016400000000, 0.0005025500000000 ] - [ -0.0023801500000000, 0.0020867100000000, 0.0013003500000000 ] - [ 0.0001951600000000, -0.0013938900000000, 0.0002137400000000 ] - [ -0.0005430400000000, 0.0035035400000000, -0.0024318400000000 ] - [ 0.0009491000000000, 0.0016066900000000, -0.0017349100000000 ] - [ -0.0003302400000000, -0.0006016600000000, 0.0016868000000000 ] - [ -0.0004177800000000, 0.0004423000000000, 0.0009556900000000 ] - [ 0.0008804400000000, 0.0010819100000000, -0.0004156700000000 ] - [ 0.0003077000000000, -0.0019151600000000, 0.0013638900000000 ] - [ 0.0000149100000000, 0.0004269100000000, -0.0003797800000000 ] - [ -0.0164949000000000, 0.0007718900000000, -0.0040863700000000 ] - [ 0.0013993200000000, 0.0012542300000000, 0.0005835600000000 ] - [ -0.0005454300000000, -0.0004292100000000, 0.0015935600000000 ] - [ 0.0008145400000000, 0.0009165600000000, -0.0003716700000000 ] - [ 0.0750906100000000, -0.1670687200000000, -0.0122911600000000 ] - [ -0.0008121400000000, 0.0058363000000000, 0.0002981700000000 ] - [ -0.0000838500000000, 0.0001671600000000, 0.0007632100000000 ] - [ 0.0003048600000000, 0.0001753700000000, -0.0014506800000000 ] - [ 0.0004061200000000, -0.0021035600000000, 0.0004050000000000 ] - [ 0.0000408700000000, 0.0015876500000000, -0.0004448100000000 ] - [ 0.0032931900000000, 0.0134989300000000, -0.0011249700000000 ] - [ -0.0002224500000000, 0.0299850100000000, 0.0070868500000000 ] - [ -0.0001581400000000, -0.0026805100000000, -0.0008989500000000 ] - [ 0.0004022200000000, 0.0027904800000000, 0.0020753800000000 ] - [ -0.0048101900000000, 0.0241639400000000, -0.0161774700000000 ] - [ 0.0022079700000000, -0.0016317400000000, 0.0036620400000000 ] - [ -0.0014626800000000, -0.0116526000000000, -0.0065335100000000 ] - [ 0.0016241200000000, 0.0074846900000000, 0.0038327900000000 ] - [ -0.0042786500000000, -0.0002983600000000, 0.0016117000000000 ] - [ 0.0002119300000000, 0.0002717100000000, -0.0000155700000000 ] - [ -0.0008523400000000, -0.0001259200000000, 0.0003205900000000 ] - [ 0.0003070900000000, 0.0001586500000000, -0.0002622000000000 ] - [ -0.0006609700000000, -0.0002742300000000, 0.0003489000000000 ] - [ -0.0004205400000000, 0.0003212200000000, 0.0004604800000000 ] - [ -0.0007145500000000, -0.0001440800000000, -0.0004261100000000 ] - [ -0.0010723300000000, 0.0001545100000000, -0.0002335300000000 ] - [ 0.0022254500000000, -0.0002027800000000, -0.0010941000000000 ] - [ -0.0018245900000000, 0.0004262600000000, 0.0009989100000000 ] - [ -0.0006910600000000, -0.0013158700000000, -0.0008903800000000 ] - [ -0.0001002100000000, 0.0005018500000000, 0.0004680400000000 ] - [ -0.0013061300000000, 0.0016341100000000, -0.0012783200000000 ] - [ 0.0005724200000000, -0.0008712100000000, 0.0004991500000000 ] - [ -0.0009166600000000, -0.0017533400000000, -0.0012585800000000 ] - [ 0.0006447400000000, 0.0015740700000000, 0.0008552800000000 ] - [ -0.0001450200000000, 0.0001787800000000, 0.0000288700000000 ] - [ -0.0006476400000000, 0.0006576300000000, -0.0004815900000000 ] - [ -0.0001833000000000, -0.0004741400000000, 0.0002552600000000 ] - [ -0.0004708300000000, 0.0005794200000000, -0.0003076000000000 ] - [ -0.0007032000000000, -0.0013327900000000, -0.0012986600000000 ] - [ -0.0002546100000000, 0.0014219600000000, 0.0001211200000000 ] - [ 0.0010231000000000, 0.0007748300000000, 0.0000973500000000 ] - [ -0.0019663300000000, -0.0003401600000000, -0.0015334800000000 ] - [ -0.0015072400000000, -0.0000882400000000, -0.0003602700000000 ] - [ 0.0001927200000000, 0.0001401100000000, -0.0001635600000000 ] - [ -0.0005959400000000, -0.0001393800000000, -0.0001591300000000 ] - [ 0.0000367000000000, 0.0001389700000000, 0.0001601900000000 ] - [ -0.0001464000000000, -0.0001009300000000, -0.0000392500000000 ] - [ -0.0002019200000000, -0.0001008300000000, -0.0000051200000000 ] - [ -0.0004328900000000, -0.0005527700000000, -0.0000137100000000 ] - [ -0.0002187700000000, -0.0000662100000000, 0.0000126800000000 ] - [ -0.0003416600000000, 0.0003228800000000, 0.0000093900000000 ] - [ -0.0003075700000000, 0.0003026500000000, -0.0000174600000000 ] - [ -0.0004078500000000, -0.0003001900000000, -0.0000511100000000 ] - [ 0.0000851700000000, 0.0005047700000000, 0.0000200200000000 ] - [ -0.0003870900000000, -0.0000028100000000, -0.0000672600000000 ] - [ -0.0002457900000000, -0.0000461400000000, 0.0000482100000000 ] - [ 0.0000551000000000, -0.0004544700000000, 0.0001244200000000 ] - [ -0.0002659100000000, 0.0008001900000000, -0.0006519700000000 ] - [ 0.0000218400000000, -0.0001789500000000, -0.0003003500000000 ] - [ -0.0002458700000000, -0.0001837900000000, -0.0002387600000000 ] - [ -0.0003613500000000, 0.0014562800000000, -0.0006607600000000 ] - [ -0.0001070300000000, -0.0017803900000000, 0.0000581300000000 ] - [ -0.0565765300000000, 0.0952993700000000, 0.0478478800000000 ] - [ -0.0040153500000000, -0.0079961100000000, 0.0003410300000000 ] - [ 0.0011497000000000, 0.0002267200000000, -0.0001637700000000 ] - [ 0.0007690900000000, -0.0002329200000000, -0.0002867400000000 ] - [ 0.0005266500000000, 0.0003698200000000, 0.0006916200000000 ] - [ -0.0003950800000000, -0.0003272200000000, 0.0002587500000000 ] - [ -0.0038691400000000, 0.0032679000000000, -0.0018495800000000 ] - [ 0.0016905400000000, -0.0043385300000000, 0.0015787400000000 ] - [ -0.0001213800000000, 0.0061114600000000, -0.0002883200000000 ] - [ 0.0006521300000000, -0.0019028400000000, -0.0006116600000000 ] - [ -0.0000966900000000, 0.0005293700000000, -0.0002440700000000 ] - [ 0.0000849100000000, -0.0005154100000000, -0.0002700900000000 ] - [ 0.0005295500000000, 0.0004719400000000, 0.0002219400000000 ] - [ 0.0007686600000000, -0.0004869400000000, 0.0003298700000000 ] - [ -0.0007006500000000, 0.0074598500000000, 0.0015309100000000 ] - [ 0.0019813200000000, -0.0101510000000000, 0.0056881200000000 ] - [ -0.0122701400000000, 0.0044777700000000, 0.0026685800000000 ] - [ 0.0028608000000000, -0.0050701500000000, -0.0040273400000000 ] - [ 0.0004594600000000, 0.0016721000000000, -0.0010165700000000 ] - [ -0.0012511700000000, -0.0021882800000000, 0.0013386400000000 ] - [ 0.0115321900000000, 0.0040450300000000, -0.0028404000000000 ] - [ -0.0007511600000000, -0.0028662600000000, 0.0006096300000000 ] - [ -0.0008612500000000, 0.0036645500000000, -0.0010539600000000 ] - [ -0.0014518100000000, -0.0038605900000000, -0.0000046300000000 ] - [ 0.0003439200000000, 0.0049247200000000, 0.0002037900000000 ] - [ -0.0063475400000000, -0.0157339600000000, -0.0106030900000000 ] - [ -0.0001968700000000, 0.0010233400000000, 0.0009234600000000 ] - [ 0.0020639800000000, -0.0010462600000000, 0.0000223200000000 ] - [ 0.0002088100000000, 0.0018825800000000, 0.0000791000000000 ] - [ 0.0016343100000000, -0.0021906400000000, -0.0000100800000000 ] - [ 0.0012149700000000, 0.0011695000000000, 0.0023041000000000 ] - [ -0.0010833300000000, -0.0011368300000000, -0.0005904200000000 ] - [ 0.0095239800000000, 0.0009622800000000, -0.0023409000000000 ] - [ -0.0025363500000000, -0.0011375600000000, 0.0001161000000000 ] - [ 0.0010100800000000, 0.0004570200000000, -0.0003903600000000 ] - [ 0.0003378500000000, -0.0004723000000000, -0.0001684000000000 ] - [ 0.0024672500000000, 0.0006595500000000, -0.0000006800000000 ] - [ 0.0005394100000000, -0.0006481000000000, 0.0007499500000000 ]- atom: 29 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0174058200000000, -0.0045262000000000, -0.0011189300000000 ] - [ -0.0036126800000000, -0.0013662300000000, 0.0007250300000000 ] - [ 0.0000470700000000, 0.0003698300000000, 0.0005105300000000 ] - [ -0.0005350600000000, -0.0003662000000000, 0.0001487200000000 ] - [ -0.0195144100000000, -0.0063711900000000, 0.0154303600000000 ] - [ 0.0018310500000000, -0.0046043900000000, -0.0020129300000000 ] - [ -0.0014584400000000, 0.0010970300000000, 0.0000526300000000 ] - [ -0.0016942100000000, -0.0011786400000000, 0.0004045500000000 ] - [ -0.0001161200000000, 0.0006721900000000, 0.0001156100000000 ] - [ 0.0015556300000000, -0.0007842400000000, -0.0002611900000000 ] - [ 0.0002642900000000, -0.0001997300000000, 0.0007701500000000 ] - [ -0.0007731400000000, -0.0000181900000000, 0.0006296800000000 ] - [ -0.0004379200000000, 0.0051940500000000, -0.0032863900000000 ] - [ 0.0007048400000000, -0.0026506900000000, 0.0011435700000000 ] - [ -0.0013346700000000, -0.0006724200000000, -0.0005185500000000 ] - [ 0.0027549100000000, -0.0016476500000000, -0.0013106300000000 ] - [ -0.0005688700000000, 0.0018133700000000, -0.0001791100000000 ] - [ 0.0001596500000000, -0.0030564800000000, 0.0024421200000000 ] - [ -0.0010904200000000, -0.0019280700000000, 0.0021725900000000 ] - [ 0.0001820200000000, 0.0002797500000000, -0.0012372600000000 ] - [ 0.0004174300000000, 0.0001444100000000, -0.0009516800000000 ] - [ -0.0008727600000000, -0.0004834200000000, 0.0004170100000000 ] - [ -0.0002998400000000, 0.0013115600000000, -0.0013514300000000 ] - [ -0.0000158300000000, -0.0010124300000000, 0.0003837000000000 ] - [ 0.0164373400000000, -0.0007517500000000, 0.0037266300000000 ] - [ -0.0014980200000000, -0.0012543200000000, -0.0009436700000000 ] - [ 0.0006642200000000, 0.0004211500000000, -0.0012139300000000 ] - [ -0.0006987400000000, -0.0009066800000000, 0.0007420800000000 ] - [ -0.0781809900000000, 0.1697058400000000, 0.0161600400000000 ] - [ 0.0010544100000000, -0.0062778600000000, -0.0003704700000000 ] - [ -0.0001579200000000, -0.0006376500000000, -0.0006890500000000 ] - [ -0.0005452500000000, -0.0006286200000000, 0.0015205300000000 ] - [ -0.0006437800000000, 0.0025508600000000, -0.0003688400000000 ] - [ -0.0002821300000000, -0.0011206700000000, 0.0005150600000000 ] - [ -0.0030227500000000, -0.0128335900000000, 0.0010418400000000 ] - [ 0.0005460100000000, -0.0300800100000000, -0.0072507600000000 ] - [ 0.0000077800000000, 0.0029952000000000, 0.0013431500000000 ] - [ -0.0005445200000000, -0.0024542500000000, -0.0016178200000000 ] - [ 0.0049522100000000, -0.0236007600000000, 0.0156531700000000 ] - [ -0.0020605800000000, 0.0019958200000000, -0.0041302900000000 ] - [ 0.0016411400000000, 0.0112171300000000, 0.0061632600000000 ] - [ -0.0014781400000000, -0.0078159800000000, -0.0042902000000000 ] - [ 0.0040729300000000, 0.0002963000000000, -0.0014145400000000 ] - [ -0.0004044000000000, -0.0002710900000000, 0.0002059900000000 ] - [ 0.0010482600000000, 0.0001238000000000, -0.0005118800000000 ] - [ -0.0001100400000000, -0.0001580400000000, 0.0000703900000000 ] - [ 0.0014129200000000, 0.0002729600000000, 0.0003456400000000 ] - [ 0.0011695100000000, -0.0003203900000000, 0.0002355200000000 ] - [ -0.0000399400000000, 0.0001428700000000, -0.0002698900000000 ] - [ 0.0003160000000000, -0.0001537400000000, -0.0004615400000000 ] - [ -0.0022117000000000, 0.0002026900000000, 0.0010838700000000 ] - [ 0.0018199000000000, -0.0004244000000000, -0.0009970200000000 ] - [ 0.0003067900000000, 0.0008804000000000, 0.0009041200000000 ] - [ -0.0002812400000000, -0.0009301700000000, -0.0004486300000000 ] - [ 0.0016819000000000, -0.0020550800000000, 0.0012501200000000 ] - [ -0.0001902600000000, 0.0004428000000000, -0.0005212600000000 ] - [ 0.0012952300000000, 0.0021728000000000, 0.0012347100000000 ] - [ -0.0002631700000000, -0.0011402600000000, -0.0008707600000000 ] - [ -0.0002370500000000, 0.0002510600000000, -0.0000083300000000 ] - [ 0.0002631300000000, -0.0002244000000000, 0.0005003100000000 ] - [ 0.0000392000000000, 0.0001421200000000, 0.0001955000000000 ] - [ 0.0003237000000000, -0.0009041600000000, 0.0007534000000000 ] - [ 0.0007003900000000, 0.0019218200000000, 0.0012924800000000 ] - [ 0.0002569000000000, -0.0008311000000000, -0.0001213700000000 ] - [ -0.0010256800000000, -0.0013696900000000, -0.0000946400000000 ] - [ 0.0019630500000000, -0.0002493000000000, 0.0015314100000000 ] - [ 0.0013837600000000, 0.0000874300000000, -0.0000131600000000 ] - [ -0.0003091400000000, -0.0001394000000000, -0.0002087000000000 ] - [ 0.0007083400000000, 0.0001387400000000, 0.0005283400000000 ] - [ 0.0000782100000000, -0.0001388100000000, 0.0002097300000000 ] - [ 0.0003855900000000, -0.0003603600000000, -0.0000308100000000 ] - [ 0.0004409400000000, -0.0003598200000000, -0.0000645900000000 ] - [ 0.0001910700000000, 0.0000893200000000, 0.0000868600000000 ] - [ -0.0000230300000000, -0.0003954100000000, 0.0000616900000000 ] - [ 0.0001009900000000, 0.0001376200000000, 0.0000597600000000 ] - [ 0.0000663200000000, 0.0001590800000000, 0.0000871700000000 ] - [ 0.0006464700000000, 0.0007586200000000, -0.0000222000000000 ] - [ 0.0001555600000000, -0.0000425200000000, -0.0000933100000000 ] - [ 0.0002398000000000, 0.0003289000000000, 0.0005186000000000 ] - [ 0.0001008300000000, 0.0003754800000000, 0.0004056900000000 ] - [ 0.0000896500000000, 0.0007807500000000, -0.0005730600000000 ] - [ 0.0004090000000000, -0.0004681000000000, 0.0002001100000000 ] - [ 0.0001232400000000, -0.0001507400000000, -0.0001541600000000 ] - [ 0.0003901500000000, -0.0001455900000000, -0.0002152200000000 ] - [ 0.0014084900000000, -0.0014334400000000, -0.0000557400000000 ] - [ 0.0011619100000000, 0.0017670600000000, -0.0007809900000000 ] - [ 0.0591285500000000, -0.0989987900000000, -0.0499101700000000 ] - [ 0.0029110700000000, 0.0079727600000000, 0.0003832800000000 ] - [ -0.0000910700000000, -0.0002261500000000, -0.0005592800000000 ] - [ 0.0002880800000000, 0.0002319000000000, -0.0004364100000000 ] - [ -0.0015785700000000, -0.0003678800000000, 0.0000338300000000 ] - [ -0.0006598700000000, 0.0003247400000000, 0.0004651000000000 ] - [ 0.0034180900000000, -0.0031895400000000, 0.0014965800000000 ] - [ -0.0022278900000000, 0.0043275700000000, -0.0019725000000000 ] - [ 0.0005382200000000, -0.0061598000000000, 0.0008032000000000 ] - [ -0.0001216100000000, 0.0018990300000000, 0.0009896100000000 ] - [ -0.0004283500000000, -0.0005283100000000, -0.0001448800000000 ] - [ -0.0006073700000000, 0.0005135500000000, -0.0001194600000000 ] - [ -0.0000035400000000, -0.0004707000000000, 0.0001671200000000 ] - [ -0.0002435100000000, 0.0004848700000000, 0.0000589900000000 ] - [ 0.0013918800000000, -0.0074845600000000, -0.0008636700000000 ] - [ -0.0012598900000000, 0.0101158900000000, -0.0049586000000000 ] - [ 0.0115165600000000, -0.0044565000000000, -0.0033303000000000 ] - [ -0.0035709300000000, 0.0050409500000000, 0.0033410600000000 ] - [ -0.0014253400000000, -0.0016504400000000, 0.0006943500000000 ] - [ 0.0002891000000000, 0.0021697300000000, -0.0016538500000000 ] - [ -0.0105375500000000, -0.0040262800000000, 0.0031489900000000 ] - [ 0.0016961800000000, 0.0028620700000000, -0.0002922800000000 ] - [ 0.0006639800000000, -0.0036684800000000, -0.0000275400000000 ] - [ 0.0012402100000000, 0.0038536900000000, -0.0010760700000000 ] - [ -0.0006082600000000, -0.0041299300000000, -0.0002456700000000 ] - [ 0.0065509500000000, 0.0157433300000000, 0.0117605800000000 ] - [ 0.0009027600000000, -0.0010178300000000, -0.0002370200000000 ] - [ -0.0013482600000000, 0.0010402000000000, 0.0006598200000000 ] - [ -0.0009249600000000, -0.0018785300000000, -0.0007552400000000 ] - [ -0.0023322000000000, 0.0021823200000000, -0.0006672400000000 ] - [ -0.0021610200000000, -0.0011683600000000, -0.0026141200000000 ] - [ 0.0001231200000000, 0.0011366700000000, 0.0002744000000000 ] - [ -0.0085287400000000, -0.0009519900000000, 0.0026438300000000 ] - [ 0.0034979700000000, 0.0011270400000000, 0.0001935600000000 ] - [ -0.0012146700000000, -0.0004538200000000, -0.0006985600000000 ] - [ -0.0005430000000000, 0.0004673200000000, -0.0009196300000000 ] - [ -0.0022520500000000, -0.0006576800000000, 0.0010888600000000 ] - [ -0.0003311400000000, 0.0006454200000000, 0.0003408200000000 ]- atom: 29 displacement: [ -0.0011848924261905, 0.0000000000000000, 0.0099295533604667 ] forces: - [ 0.0010882800000000, 0.0013662900000000, -0.0046318200000000 ] - [ 0.0010161200000000, -0.0000927000000000, -0.0005765600000000 ] - [ 0.0004203000000000, -0.0002274800000000, 0.0001475800000000 ] - [ -0.0002421900000000, 0.0001297400000000, 0.0003341600000000 ] - [ -0.0136182200000000, -0.0112090300000000, 0.0094618300000000 ] - [ 0.0008055000000000, 0.0019066000000000, 0.0003761700000000 ] - [ -0.0012216400000000, 0.0000312000000000, 0.0020605400000000 ] - [ -0.0010999200000000, -0.0000393600000000, 0.0006623600000000 ] - [ 0.0013759500000000, 0.0003317500000000, -0.0001488000000000 ] - [ 0.0012537200000000, -0.0001710200000000, -0.0002369200000000 ] - [ -0.0001431200000000, 0.0010336200000000, 0.0017005000000000 ] - [ -0.0004412400000000, 0.0004364800000000, 0.0026736200000000 ] - [ -0.0010618200000000, 0.0008605500000000, -0.0016292300000000 ] - [ -0.0000757400000000, 0.0002707800000000, -0.0003729400000000 ] - [ -0.0007342000000000, -0.0007174200000000, -0.0011697300000000 ] - [ -0.0008552200000000, 0.0001282300000000, -0.0009181800000000 ] - [ 0.0002189800000000, -0.0008399800000000, 0.0034793400000000 ] - [ 0.0001175800000000, -0.0016598100000000, 0.0019598800000000 ] - [ -0.0004274300000000, -0.0017479400000000, 0.0025468900000000 ] - [ -0.0000970100000000, -0.0008304400000000, 0.0018577100000000 ] - [ -0.0002207800000000, 0.0006127900000000, 0.0000407000000000 ] - [ -0.0014952300000000, -0.0015584200000000, -0.0002110500000000 ] - [ -0.0012608400000000, 0.0010814300000000, 0.0002736700000000 ] - [ -0.0000547100000000, -0.0005750900000000, 0.0000287300000000 ] - [ 0.0097367100000000, -0.0077176800000000, -0.0076345900000000 ] - [ -0.0001122300000000, 0.0004762500000000, -0.0008226000000000 ] - [ -0.0020123600000000, 0.0018519100000000, 0.0029602600000000 ] - [ 0.0000190800000000, -0.0012933100000000, 0.0009393500000000 ] - [ 0.0517054000000000, -0.0231237600000000, -0.1244841600000000 ] - [ 0.0004184200000000, 0.0002147400000000, -0.0006772200000000 ] - [ 0.0001122600000000, 0.0012941600000000, 0.0012040600000000 ] - [ 0.0003162800000000, -0.0009546100000000, 0.0012277000000000 ] - [ 0.0005146100000000, 0.0005574600000000, 0.0066407500000000 ] - [ 0.0000650000000000, -0.0002600000000000, 0.0003652800000000 ] - [ 0.0004556700000000, 0.0016832900000000, -0.0035348500000000 ] - [ 0.0036587000000000, -0.0068854300000000, -0.0076491800000000 ] - [ 0.0000926700000000, 0.0010546600000000, 0.0027737200000000 ] - [ -0.0000301300000000, 0.0005461400000000, 0.0007965600000000 ] - [ 0.0029490900000000, -0.0124447500000000, 0.0113532100000000 ] - [ 0.0005775400000000, 0.0018928900000000, -0.0004794300000000 ] - [ 0.0067799600000000, 0.0027187500000000, 0.0171174200000000 ] - [ 0.0001725800000000, -0.0008848300000000, -0.0004570000000000 ] - [ 0.0002157900000000, -0.0001337000000000, -0.0001503100000000 ] - [ -0.0002985900000000, -0.0000061300000000, 0.0000265000000000 ] - [ -0.0006173600000000, 0.0000605600000000, 0.0003604800000000 ] - [ -0.0002017500000000, -0.0000857800000000, 0.0001228400000000 ] - [ 0.0003800400000000, -0.0000153100000000, 0.0002726000000000 ] - [ 0.0003287200000000, 0.0000215100000000, 0.0002699500000000 ] - [ -0.0006955200000000, 0.0000024200000000, -0.0002266000000000 ] - [ -0.0004816600000000, -0.0000075600000000, -0.0002833300000000 ] - [ -0.0018731700000000, -0.0001442600000000, 0.0010045800000000 ] - [ -0.0006616600000000, 0.0000306400000000, 0.0003376800000000 ] - [ -0.0001358800000000, -0.0000382300000000, 0.0002540000000000 ] - [ -0.0001513200000000, -0.0000583900000000, 0.0001442400000000 ] - [ -0.0000756200000000, 0.0004136800000000, -0.0005420900000000 ] - [ 0.0000901100000000, -0.0001057700000000, -0.0003637100000000 ] - [ 0.0000188600000000, -0.0000524600000000, -0.0005083000000000 ] - [ 0.0000890800000000, -0.0000674900000000, -0.0002820600000000 ] - [ -0.0001556200000000, 0.0000724400000000, 0.0002722200000000 ] - [ -0.0001376800000000, 0.0000480000000000, 0.0001617800000000 ] - [ -0.0000195100000000, -0.0002368500000000, 0.0002590600000000 ] - [ -0.0000021000000000, -0.0002529400000000, 0.0002803700000000 ] - [ 0.0003842000000000, -0.0004895200000000, -0.0003877100000000 ] - [ -0.0000688600000000, 0.0004309300000000, -0.0001996700000000 ] - [ 0.0010538100000000, 0.0010099300000000, -0.0001683300000000 ] - [ 0.0002080600000000, -0.0004060800000000, -0.0002157900000000 ] - [ -0.0002418900000000, 0.0000681000000000, -0.0003917000000000 ] - [ -0.0002181500000000, -0.0000677200000000, -0.0003512200000000 ] - [ 0.0000800500000000, -0.0000098800000000, 0.0002224900000000 ] - [ 0.0000784400000000, 0.0000291800000000, 0.0002557900000000 ] - [ 0.0000404800000000, -0.0001675200000000, -0.0000817600000000 ] - [ 0.0000480400000000, -0.0002075800000000, -0.0000802600000000 ] - [ -0.0001821400000000, -0.0002238200000000, 0.0001069200000000 ] - [ -0.0001427300000000, -0.0002230700000000, 0.0000774100000000 ] - [ -0.0001648700000000, 0.0002362300000000, 0.0000760500000000 ] - [ -0.0001660800000000, 0.0002071800000000, 0.0000972600000000 ] - [ 0.0000368800000000, 0.0001856300000000, -0.0000934400000000 ] - [ 0.0000363600000000, 0.0001742800000000, -0.0000736200000000 ] - [ -0.0000231700000000, 0.0002548200000000, 0.0002851400000000 ] - [ -0.0000008000000000, 0.0002517800000000, 0.0002710500000000 ] - [ -0.0000689200000000, 0.0002956200000000, -0.0003229700000000 ] - [ 0.0000063200000000, 0.0001918300000000, -0.0002537600000000 ] - [ -0.0000494400000000, -0.0002591100000000, -0.0002988500000000 ] - [ -0.0000106700000000, -0.0002025200000000, -0.0002585900000000 ] - [ 0.0013373500000000, -0.0024737000000000, -0.0048089200000000 ] - [ 0.0002381400000000, 0.0009357900000000, -0.0015723400000000 ] - [ -0.0614482100000000, 0.0713020900000000, 0.0743408600000000 ] - [ -0.0008352700000000, 0.0005424000000000, 0.0024230600000000 ] - [ 0.0005765000000000, 0.0000016100000000, -0.0004368500000000 ] - [ 0.0005597600000000, 0.0000107000000000, -0.0004154000000000 ] - [ -0.0003322000000000, 0.0000070600000000, 0.0004726900000000 ] - [ -0.0003869800000000, 0.0000078500000000, 0.0004519900000000 ] - [ -0.0055602100000000, -0.0034396000000000, 0.0007563600000000 ] - [ -0.0004581400000000, 0.0002632200000000, 0.0002547600000000 ] - [ 0.0014029200000000, 0.0006503700000000, 0.0016631500000000 ] - [ 0.0004407900000000, -0.0007186300000000, 0.0002668800000000 ] - [ 0.0002013900000000, 0.0000306400000000, -0.0001350100000000 ] - [ -0.0001459100000000, -0.0000382600000000, -0.0001936600000000 ] - [ 0.0001638600000000, 0.0000282400000000, 0.0001946700000000 ] - [ 0.0003189200000000, 0.0000130700000000, 0.0002266900000000 ] - [ -0.0026491800000000, -0.0070351500000000, -0.0088220400000000 ] - [ -0.0014355400000000, 0.0034735400000000, -0.0045488900000000 ] - [ 0.0080181100000000, -0.0001214700000000, -0.0037076600000000 ] - [ 0.0012059200000000, -0.0009006500000000, -0.0015192700000000 ] - [ 0.0014100800000000, -0.0006128000000000, -0.0032789400000000 ] - [ 0.0000422500000000, 0.0016649300000000, -0.0020082500000000 ] - [ 0.0000791100000000, 0.0004132600000000, 0.0029218000000000 ] - [ 0.0009082300000000, -0.0001901900000000, 0.0018131000000000 ] - [ -0.0011224100000000, 0.0019919700000000, -0.0056945000000000 ] - [ -0.0000885100000000, 0.0000129800000000, -0.0031955500000000 ] - [ 0.0030101200000000, -0.0130286100000000, 0.0325938400000000 ] - [ -0.0017267900000000, -0.0001280200000000, 0.0028013200000000 ] - [ 0.0013466100000000, -0.0000191200000000, -0.0002944400000000 ] - [ 0.0008130500000000, 0.0000222500000000, 0.0000095300000000 ] - [ -0.0011320900000000, 0.0000650400000000, 0.0005091400000000 ] - [ -0.0010994800000000, -0.0001494500000000, 0.0003599300000000 ] - [ -0.0009005400000000, 0.0002243000000000, -0.0004583400000000 ] - [ -0.0005103600000000, -0.0005234300000000, -0.0008470600000000 ] - [ 0.0014084100000000, -0.0010168000000000, 0.0015977700000000 ] - [ 0.0004161900000000, 0.0009628300000000, 0.0015802500000000 ] - [ 0.0001942900000000, -0.0000274500000000, -0.0008232900000000 ] - [ 0.0000467400000000, 0.0000277500000000, -0.0007836200000000 ] - [ 0.0003920900000000, -0.0000300400000000, 0.0006574300000000 ] - [ 0.0003845400000000, 0.0000317600000000, 0.0006767200000000 ]- atom: 29 displacement: [ 0.0011848924261905, 0.0000000000000000, -0.0099295533604667 ] forces: - [ -0.0012866700000000, -0.0013896800000000, 0.0048148200000000 ] - [ -0.0011913100000000, 0.0000958900000000, 0.0007613200000000 ] - [ -0.0002149000000000, 0.0002258900000000, -0.0003458300000000 ] - [ 0.0004427700000000, -0.0001293800000000, -0.0005273900000000 ] - [ 0.0145757600000000, 0.0114078800000000, -0.0088209100000000 ] - [ -0.0000559000000000, -0.0018998300000000, 0.0003279200000000 ] - [ 0.0004832400000000, -0.0000363400000000, -0.0027506400000000 ] - [ 0.0003510900000000, 0.0000434700000000, -0.0013566400000000 ] - [ -0.0013904300000000, -0.0003361100000000, 0.0001572100000000 ] - [ -0.0012533200000000, 0.0001718200000000, 0.0002384700000000 ] - [ -0.0002369600000000, -0.0014522900000000, -0.0016741200000000 ] - [ 0.0000521700000000, -0.0008830500000000, -0.0026577100000000 ] - [ 0.0014392600000000, -0.0013126900000000, 0.0016286200000000 ] - [ 0.0004550600000000, -0.0006953400000000, 0.0003503100000000 ] - [ 0.0011221100000000, 0.0011486300000000, 0.0011579200000000 ] - [ 0.0012354500000000, 0.0003136300000000, 0.0009157500000000 ] - [ -0.0006112300000000, 0.0012813500000000, -0.0034802900000000 ] - [ -0.0004964500000000, 0.0020818000000000, -0.0019330100000000 ] - [ 0.0002876600000000, 0.0014197700000000, -0.0021016400000000 ] - [ -0.0000434000000000, 0.0004913500000000, -0.0013962800000000 ] - [ 0.0002199700000000, -0.0000194800000000, -0.0000490600000000 ] - [ 0.0014826600000000, 0.0021327000000000, 0.0001994200000000 ] - [ 0.0012551700000000, -0.0016622400000000, -0.0002816700000000 ] - [ 0.0000544800000000, -0.0000177600000000, -0.0000317600000000 ] - [ -0.0099210200000000, 0.0078163800000000, 0.0072978900000000 ] - [ -0.0000035300000000, -0.0004758400000000, 0.0004530700000000 ] - [ 0.0021189700000000, -0.0018389400000000, -0.0025819100000000 ] - [ 0.0001015600000000, 0.0012825700000000, -0.0005654400000000 ] - [ -0.0521436900000000, 0.0232597100000000, 0.1256433200000000 ] - [ -0.0001795700000000, -0.0006635600000000, 0.0006096300000000 ] - [ -0.0003468400000000, -0.0017483800000000, -0.0011325100000000 ] - [ -0.0005481300000000, 0.0004888100000000, -0.0011557400000000 ] - [ -0.0007382300000000, -0.0000919100000000, -0.0065145300000000 ] - [ -0.0003006500000000, 0.0007212800000000, -0.0002986600000000 ] - [ -0.0002076000000000, -0.0012290900000000, 0.0034627800000000 ] - [ -0.0034667200000000, 0.0074359400000000, 0.0076097300000000 ] - [ -0.0002348100000000, -0.0007233700000000, -0.0023066300000000 ] - [ -0.0001125000000000, -0.0002071600000000, -0.0003333100000000 ] - [ -0.0027822300000000, 0.0127896200000000, -0.0118777300000000 ] - [ -0.0004148500000000, -0.0015844800000000, 0.0000601700000000 ] - [ -0.0068200200000000, -0.0030859600000000, -0.0179164000000000 ] - [ -0.0000217100000000, 0.0005661200000000, 0.0000165000000000 ] - [ -0.0004367700000000, 0.0001333700000000, 0.0003507500000000 ] - [ 0.0001011200000000, 0.0000070500000000, 0.0001655100000000 ] - [ 0.0008011800000000, -0.0000595800000000, -0.0005481600000000 ] - [ 0.0003895300000000, 0.0000844400000000, -0.0003116900000000 ] - [ 0.0003652500000000, 0.0000147300000000, 0.0004229100000000 ] - [ 0.0004210100000000, -0.0000212100000000, 0.0004254200000000 ] - [ -0.0000642200000000, -0.0000028100000000, -0.0004682300000000 ] - [ -0.0002781500000000, 0.0000082200000000, -0.0004112100000000 ] - [ 0.0018756800000000, 0.0001452700000000, -0.0010051400000000 ] - [ 0.0006551600000000, -0.0000290600000000, -0.0003334400000000 ] - [ -0.0002486900000000, -0.0003964300000000, -0.0002402100000000 ] - [ -0.0002309400000000, -0.0003699900000000, -0.0001258500000000 ] - [ 0.0004556200000000, -0.0008391200000000, 0.0005171400000000 ] - [ 0.0002916500000000, -0.0003253700000000, 0.0003420800000000 ] - [ 0.0003610200000000, 0.0004808700000000, 0.0004891000000000 ] - [ 0.0002917900000000, 0.0004968300000000, 0.0002628000000000 ] - [ -0.0002272800000000, 0.0003578100000000, -0.0002517700000000 ] - [ -0.0002469200000000, 0.0003851500000000, -0.0001443200000000 ] - [ -0.0001274200000000, -0.0000932400000000, 0.0001903000000000 ] - [ -0.0001438400000000, -0.0000761100000000, 0.0001683500000000 ] - [ -0.0003905700000000, 0.0010764300000000, 0.0003773100000000 ] - [ 0.0000669600000000, 0.0001626700000000, 0.0001968300000000 ] - [ -0.0010536400000000, -0.0015997100000000, 0.0001700300000000 ] - [ -0.0002254900000000, -0.0001813400000000, 0.0002041600000000 ] - [ 0.0001218600000000, -0.0000679400000000, 0.0000181700000000 ] - [ 0.0000996200000000, 0.0000673200000000, -0.0000222600000000 ] - [ 0.0000309900000000, 0.0000092900000000, 0.0001440000000000 ] - [ 0.0000351900000000, -0.0000285100000000, 0.0001122600000000 ] - [ 0.0001980600000000, -0.0002934300000000, 0.0000117000000000 ] - [ 0.0001892400000000, -0.0002525000000000, 0.0000103700000000 ] - [ -0.0000615000000000, -0.0002395300000000, -0.0000337800000000 ] - [ -0.0001000600000000, -0.0002389400000000, -0.0000039500000000 ] - [ -0.0000774300000000, 0.0002259700000000, -0.0000068600000000 ] - [ -0.0000769400000000, 0.0002552500000000, -0.0000274000000000 ] - [ 0.0002007500000000, 0.0002738800000000, 0.0000197700000000 ] - [ 0.0002027400000000, 0.0002873600000000, 0.0000003700000000 ] - [ -0.0001232300000000, 0.0000756200000000, 0.0001690000000000 ] - [ -0.0001471100000000, 0.0000759300000000, 0.0001810800000000 ] - [ 0.0002123600000000, 0.0000325100000000, -0.0001262300000000 ] - [ 0.0001365900000000, 0.0001403900000000, -0.0001978900000000 ] - [ 0.0001937500000000, -0.0000712100000000, -0.0001559500000000 ] - [ 0.0001543600000000, -0.0001268300000000, -0.0001955300000000 ] - [ -0.0002843200000000, 0.0024565500000000, 0.0040793100000000 ] - [ 0.0008076300000000, -0.0009295100000000, 0.0008422600000000 ] - [ 0.0618349900000000, -0.0734092500000000, -0.0739894800000000 ] - [ -0.0002135300000000, -0.0005507700000000, -0.0017106000000000 ] - [ 0.0004848200000000, -0.0000009400000000, -0.0002851400000000 ] - [ 0.0004990400000000, -0.0000112100000000, -0.0003070500000000 ] - [ -0.0007186900000000, -0.0000061000000000, 0.0002511400000000 ] - [ -0.0006646600000000, -0.0000089700000000, 0.0002713900000000 ] - [ 0.0050695400000000, 0.0034825100000000, -0.0011003800000000 ] - [ -0.0000633600000000, -0.0002833300000000, -0.0006340400000000 ] - [ -0.0010784800000000, -0.0008217000000000, -0.0010448200000000 ] - [ 0.0000809200000000, 0.0007145400000000, 0.0001265900000000 ] - [ -0.0007194900000000, -0.0000301800000000, -0.0002523700000000 ] - [ -0.0003750700000000, 0.0000375700000000, -0.0001951000000000 ] - [ 0.0003639200000000, -0.0000265700000000, 0.0001954300000000 ] - [ 0.0002091700000000, -0.0000150200000000, 0.0001631400000000 ] - [ 0.0033804900000000, 0.0071282100000000, 0.0095379100000000 ] - [ 0.0021399900000000, -0.0034813500000000, 0.0052058100000000 ] - [ -0.0087677400000000, 0.0001423800000000, 0.0030183700000000 ] - [ -0.0019098000000000, 0.0008898800000000, 0.0008144900000000 ] - [ -0.0023529000000000, 0.0005874300000000, 0.0029669000000000 ] - [ -0.0009911900000000, -0.0016427000000000, 0.0016906700000000 ] - [ 0.0009522100000000, -0.0004049400000000, -0.0026314900000000 ] - [ 0.0000531600000000, 0.0001826000000000, -0.0014977700000000 ] - [ 0.0008874800000000, -0.0019780200000000, 0.0045847200000000 ] - [ -0.0001275600000000, -0.0000240400000000, 0.0021014500000000 ] - [ -0.0033558100000000, 0.0142936700000000, -0.0322602300000000 ] - [ 0.0019039100000000, 0.0000966500000000, -0.0017544200000000 ] - [ -0.0006323900000000, 0.0000241800000000, 0.0009769400000000 ] - [ -0.0000936600000000, -0.0000270100000000, 0.0006715500000000 ] - [ 0.0004358300000000, -0.0000626300000000, -0.0011961600000000 ] - [ 0.0003921900000000, 0.0001460600000000, -0.0010400800000000 ] - [ -0.0000527100000000, -0.0002185000000000, 0.0001620300000000 ] - [ -0.0004484000000000, 0.0005212600000000, 0.0005336900000000 ] - [ -0.0004524100000000, 0.0010132900000000, -0.0012683200000000 ] - [ 0.0005338700000000, -0.0009562300000000, -0.0012475800000000 ] - [ -0.0003880800000000, 0.0000263100000000, -0.0002675400000000 ] - [ -0.0002433900000000, -0.0000275500000000, -0.0003058600000000 ] - [ -0.0001683500000000, 0.0000308400000000, 0.0004274800000000 ] - [ -0.0001732200000000, -0.0000326800000000, 0.0004125800000000 ]- atom: 85 displacement: [ 0.0099999983100469, 0.0000000000000000, 0.0000058136957938 ] forces: - [ 0.0029570600000000, 0.0000000000000000, -0.0028030000000000 ] - [ 0.0017121300000000, 0.0000000000000000, -0.0004713100000000 ] - [ -0.0041429000000000, 0.0015651200000000, 0.0013041900000000 ] - [ -0.0041429000000000, -0.0015651200000000, 0.0013041900000000 ] - [ 0.0086909900000000, 0.0000000000000000, -0.0011096700000000 ] - [ 0.0047055500000000, 0.0000000000000000, -0.0005372500000000 ] - [ 0.0165015400000000, -0.0007876000000000, -0.0040308000000000 ] - [ 0.0165015400000000, 0.0007876000000000, -0.0040308000000000 ] - [ -0.0024007200000000, -0.0011459000000000, 0.0020877800000000 ] - [ -0.0024007200000000, 0.0011459000000000, 0.0020877800000000 ] - [ -0.0059731400000000, 0.0126552700000000, 0.0094759200000000 ] - [ 0.0008478600000000, -0.0032880600000000, -0.0007899200000000 ] - [ -0.0008440900000000, 0.0024221100000000, -0.0031175900000000 ] - [ 0.0002270200000000, -0.0000048500000000, -0.0008662200000000 ] - [ -0.0008440900000000, -0.0024221100000000, -0.0031175900000000 ] - [ 0.0002270200000000, 0.0000048500000000, -0.0008662200000000 ] - [ -0.0059731400000000, -0.0126552700000000, 0.0094759200000000 ] - [ 0.0008478600000000, 0.0032880600000000, -0.0007899200000000 ] - [ -0.0005002400000000, -0.0032983900000000, -0.0064984300000000 ] - [ -0.0002230500000000, 0.0070743000000000, -0.0043895600000000 ] - [ -0.0036249700000000, 0.0023274700000000, -0.0062706200000000 ] - [ 0.0002057600000000, -0.0001028900000000, -0.0004554100000000 ] - [ -0.0036249700000000, -0.0023274700000000, -0.0062706200000000 ] - [ 0.0002057600000000, 0.0001028900000000, -0.0004554100000000 ] - [ 0.0011229700000000, 0.0009895100000000, 0.0013978200000000 ] - [ 0.0011229700000000, -0.0009895100000000, 0.0013978200000000 ] - [ 0.0822624600000000, 0.0000000000000000, 0.0956079500000000 ] - [ 0.0033343300000000, 0.0000000000000000, 0.0016982600000000 ] - [ 0.0034327600000000, -0.0011092000000000, 0.0011651400000000 ] - [ 0.0020661400000000, -0.0008584500000000, -0.0000934900000000 ] - [ 0.0749397800000000, 0.0589552100000000, -0.0539767000000000 ] - [ 0.0027904100000000, 0.0032266900000000, 0.0000744300000000 ] - [ 0.0749397800000000, -0.0589552100000000, -0.0539767000000000 ] - [ 0.0027904100000000, -0.0032266900000000, 0.0000744300000000 ] - [ 0.0034327600000000, 0.0011092000000000, 0.0011651400000000 ] - [ 0.0020661400000000, 0.0008584500000000, -0.0000934900000000 ] - [ -0.0005002400000000, 0.0032983900000000, -0.0064984300000000 ] - [ -0.0002230500000000, -0.0070743000000000, -0.0043895600000000 ] - [ 0.0025032500000000, -0.0006474300000000, 0.0036605000000000 ] - [ 0.0025053800000000, -0.0029610400000000, 0.0025867000000000 ] - [ 0.0025032500000000, 0.0006474300000000, 0.0036605000000000 ] - [ 0.0025053800000000, 0.0029610400000000, 0.0025867000000000 ] - [ -0.0032600500000000, 0.0001097800000000, 0.0011699600000000 ] - [ -0.0032600500000000, -0.0001097800000000, 0.0011699600000000 ] - [ -0.0139997100000000, 0.0000000000000000, 0.0043661000000000 ] - [ -0.0010106000000000, 0.0000000000000000, 0.0002271700000000 ] - [ -0.0030179800000000, -0.0002811600000000, 0.0006994100000000 ] - [ -0.0030179800000000, 0.0002811600000000, 0.0006994100000000 ] - [ -0.0061386100000000, 0.0000000000000000, 0.0001157400000000 ] - [ -0.0034714400000000, 0.0000000000000000, -0.0000299300000000 ] - [ -0.0054337200000000, 0.0000000000000000, 0.0007650800000000 ] - [ -0.0024453200000000, 0.0000000000000000, 0.0005718000000000 ] - [ -0.0021319800000000, -0.0009118700000000, -0.0007943500000000 ] - [ -0.0017616600000000, -0.0014985000000000, -0.0010642700000000 ] - [ -0.0014581900000000, 0.0017732300000000, -0.0019346300000000 ] - [ -0.0002044500000000, -0.0009887200000000, 0.0004443500000000 ] - [ -0.0014581900000000, -0.0017732300000000, -0.0019346300000000 ] - [ -0.0002044500000000, 0.0009887200000000, 0.0004443500000000 ] - [ -0.0021319800000000, 0.0009118700000000, -0.0007943500000000 ] - [ -0.0017616600000000, 0.0014985000000000, -0.0010642700000000 ] - [ -0.0013084900000000, -0.0006049500000000, 0.0004088500000000 ] - [ -0.0011148200000000, 0.0009112000000000, -0.0006930700000000 ] - [ -0.0015378800000000, 0.0013474900000000, -0.0002222400000000 ] - [ -0.0005702700000000, -0.0003296600000000, -0.0001596100000000 ] - [ -0.0015378800000000, -0.0013474900000000, -0.0002222400000000 ] - [ -0.0005702700000000, 0.0003296600000000, -0.0001596100000000 ] - [ -0.0025241300000000, 0.0000000000000000, -0.0014704500000000 ] - [ -0.0010647700000000, 0.0000000000000000, -0.0005609800000000 ] - [ -0.0023389800000000, 0.0000068300000000, -0.0004321400000000 ] - [ -0.0023389800000000, -0.0000068300000000, -0.0004321400000000 ] - [ -0.0012193400000000, 0.0003941400000000, -0.0001494000000000 ] - [ -0.0009277300000000, 0.0000148300000000, -0.0001300000000000 ] - [ -0.0020134300000000, -0.0012754100000000, 0.0000042800000000 ] - [ -0.0011269200000000, -0.0003585800000000, 0.0000558400000000 ] - [ -0.0020134300000000, 0.0012754100000000, 0.0000042800000000 ] - [ -0.0011269200000000, 0.0003585800000000, 0.0000558400000000 ] - [ -0.0012193400000000, -0.0003941400000000, -0.0001494000000000 ] - [ -0.0009277300000000, -0.0000148300000000, -0.0001300000000000 ] - [ -0.0013084900000000, 0.0006049500000000, 0.0004088500000000 ] - [ -0.0011148200000000, -0.0009112000000000, -0.0006930700000000 ] - [ -0.0014571700000000, 0.0011579900000000, -0.0013566700000000 ] - [ -0.0010337300000000, 0.0009021400000000, -0.0010798300000000 ] - [ -0.0014571700000000, -0.0011579900000000, -0.0013566700000000 ] - [ -0.0010337300000000, -0.0009021400000000, -0.0010798300000000 ] - [ -0.2745441000000000, 0.0000000000000000, 0.0014739300000000 ] - [ -0.0063416600000000, 0.0000000000000000, -0.0007886800000000 ] - [ -0.0047391100000000, -0.0004488900000000, -0.0008104800000000 ] - [ -0.0047391100000000, 0.0004488900000000, -0.0008104800000000 ] - [ 0.0034388500000000, 0.0006266100000000, 0.0001635000000000 ] - [ 0.0034388500000000, -0.0006266100000000, 0.0001635000000000 ] - [ 0.0024606200000000, 0.0000000000000000, 0.0011436400000000 ] - [ 0.0012895700000000, 0.0000000000000000, 0.0007326200000000 ] - [ 0.0078813300000000, 0.0000000000000000, -0.0142979100000000 ] - [ -0.0008433400000000, 0.0000000000000000, -0.0009854300000000 ] - [ -0.0068349600000000, 0.0085963900000000, 0.0029994300000000 ] - [ -0.0068349600000000, -0.0085963900000000, 0.0029994300000000 ] - [ 0.0018082800000000, 0.0012444800000000, 0.0002723600000000 ] - [ 0.0018082800000000, -0.0012444800000000, 0.0002723600000000 ] - [ 0.0025559000000000, 0.0000000000000000, 0.0002541300000000 ] - [ 0.0018877900000000, 0.0000000000000000, 0.0002040800000000 ] - [ -0.0088613900000000, 0.0175043900000000, -0.0124204100000000 ] - [ -0.0088613900000000, -0.0175043900000000, -0.0124204100000000 ] - [ 0.0040057600000000, 0.0000000000000000, 0.0165803400000000 ] - [ -0.0001552900000000, 0.0000000000000000, 0.0045860300000000 ] - [ 0.0511698900000000, 0.0000000000000000, 0.0089487400000000 ] - [ -0.0011699600000000, 0.0000000000000000, 0.0020073200000000 ] - [ 0.0029686300000000, -0.0025030000000000, 0.0011785000000000 ] - [ 0.0029686300000000, 0.0025030000000000, 0.0011785000000000 ] - [ -0.0025210300000000, -0.0371928900000000, 0.0127726000000000 ] - [ -0.0025210300000000, 0.0371928900000000, 0.0127726000000000 ] - [ -0.0116749600000000, 0.0000000000000000, -0.0043279800000000 ] - [ -0.0055553400000000, 0.0000000000000000, -0.0018074400000000 ] - [ 0.0093047100000000, 0.0000000000000000, 0.0007564700000000 ] - [ 0.0053081600000000, 0.0000000000000000, 0.0015253700000000 ] - [ 0.0046126100000000, 0.0025424700000000, -0.0007738600000000 ] - [ 0.0046126100000000, -0.0025424700000000, -0.0007738600000000 ] - [ 0.0061726800000000, -0.0014757700000000, -0.0002242500000000 ] - [ 0.0061726800000000, 0.0014757700000000, -0.0002242500000000 ] - [ 0.0045310300000000, 0.0000000000000000, 0.0086449500000000 ] - [ 0.0000825000000000, 0.0000000000000000, 0.0002827300000000 ] - [ 0.0106770800000000, 0.0000000000000000, -0.0024596600000000 ] - [ 0.0033521300000000, 0.0000000000000000, 0.0002365700000000 ] - [ 0.0051067000000000, 0.0000170600000000, 0.0012727100000000 ] - [ 0.0051067000000000, -0.0000170600000000, 0.0012727100000000 ]- atom: 85 displacement: [ -0.0099999983100469, 0.0000000000000000, -0.0000058136957938 ] forces: - [ -0.0031693300000000, 0.0000000000000000, 0.0029906100000000 ] - [ -0.0019186700000000, 0.0000000000000000, 0.0006649200000000 ] - [ 0.0043758000000000, -0.0015557300000000, -0.0015007500000000 ] - [ 0.0043758000000000, 0.0015557300000000, -0.0015007500000000 ] - [ -0.0079446900000000, 0.0000000000000000, 0.0018068600000000 ] - [ -0.0039606800000000, 0.0000000000000000, 0.0012339500000000 ] - [ -0.0173279700000000, 0.0007584500000000, 0.0033611000000000 ] - [ -0.0173279700000000, -0.0007584500000000, 0.0033611000000000 ] - [ 0.0024066900000000, 0.0011568700000000, -0.0021036700000000 ] - [ 0.0024066900000000, -0.0011568700000000, -0.0021036700000000 ] - [ 0.0056336600000000, -0.0131616100000000, -0.0095092900000000 ] - [ -0.0012432300000000, 0.0028862500000000, 0.0008161400000000 ] - [ 0.0012290100000000, -0.0028562400000000, 0.0031064200000000 ] - [ 0.0001581100000000, -0.0004309000000000, 0.0008527400000000 ] - [ 0.0012290100000000, 0.0028562400000000, 0.0031064200000000 ] - [ 0.0001581100000000, 0.0004309000000000, 0.0008527400000000 ] - [ 0.0056336600000000, 0.0131616100000000, -0.0095092900000000 ] - [ -0.0012432300000000, -0.0028862500000000, 0.0008161400000000 ] - [ 0.0004658600000000, 0.0029612000000000, 0.0069960400000000 ] - [ 0.0000837100000000, -0.0074345300000000, 0.0048655500000000 ] - [ 0.0035949800000000, -0.0017383700000000, 0.0063054600000000 ] - [ -0.0002134400000000, 0.0006898200000000, 0.0004588100000000 ] - [ 0.0035949800000000, 0.0017383700000000, 0.0063054600000000 ] - [ -0.0002134400000000, -0.0006898200000000, 0.0004588100000000 ] - [ -0.0012320100000000, -0.0009888600000000, -0.0017762600000000 ] - [ -0.0012320100000000, 0.0009888600000000, -0.0017762600000000 ] - [ -0.0847763300000000, 0.0000000000000000, -0.0994957700000000 ] - [ -0.0032397700000000, 0.0000000000000000, -0.0013287500000000 ] - [ -0.0031956700000000, 0.0006516900000000, -0.0012542200000000 ] - [ -0.0018306200000000, 0.0004015700000000, 0.0000172200000000 ] - [ -0.0738753000000000, -0.0566738600000000, 0.0523427300000000 ] - [ -0.0030366300000000, -0.0037090400000000, 0.0000036800000000 ] - [ -0.0738753000000000, 0.0566738600000000, 0.0523427300000000 ] - [ -0.0030366300000000, 0.0037090400000000, 0.0000036800000000 ] - [ -0.0031956700000000, -0.0006516900000000, -0.0012542200000000 ] - [ -0.0018306200000000, -0.0004015700000000, 0.0000172200000000 ] - [ 0.0004658600000000, -0.0029612000000000, 0.0069960400000000 ] - [ 0.0000837100000000, 0.0074345300000000, 0.0048655500000000 ] - [ -0.0023800200000000, 0.0009872700000000, -0.0041459600000000 ] - [ -0.0023788600000000, 0.0033098000000000, -0.0030534700000000 ] - [ -0.0023800200000000, -0.0009872700000000, -0.0041459600000000 ] - [ -0.0023788600000000, -0.0033098000000000, -0.0030534700000000 ] - [ 0.0030768700000000, -0.0001093200000000, -0.0009824100000000 ] - [ 0.0030768700000000, 0.0001093200000000, -0.0009824100000000 ] - [ 0.0142401300000000, 0.0000000000000000, -0.0045630200000000 ] - [ 0.0012024200000000, 0.0000000000000000, -0.0004164300000000 ] - [ 0.0037816300000000, 0.0002824900000000, -0.0000067300000000 ] - [ 0.0037816300000000, -0.0002824900000000, -0.0000067300000000 ] - [ 0.0054022100000000, 0.0000000000000000, -0.0008129200000000 ] - [ 0.0027269900000000, 0.0000000000000000, -0.0006667000000000 ] - [ 0.0054486400000000, 0.0000000000000000, -0.0007773600000000 ] - [ 0.0024610700000000, 0.0000000000000000, -0.0005766500000000 ] - [ 0.0017537500000000, 0.0004883400000000, 0.0008168600000000 ] - [ 0.0013848900000000, 0.0010702400000000, 0.0010856100000000 ] - [ 0.0018412900000000, -0.0022046200000000, 0.0019150400000000 ] - [ 0.0005851800000000, 0.0005650600000000, -0.0004702300000000 ] - [ 0.0018412900000000, 0.0022046200000000, 0.0019150400000000 ] - [ 0.0005851800000000, -0.0005650600000000, -0.0004702300000000 ] - [ 0.0017537500000000, -0.0004883400000000, 0.0008168600000000 ] - [ 0.0013848900000000, -0.0010702400000000, 0.0010856100000000 ] - [ 0.0011691000000000, 0.0002796200000000, 0.0000381000000000 ] - [ 0.0009726800000000, -0.0012446400000000, 0.0011470700000000 ] - [ 0.0015388100000000, -0.0007514100000000, 0.0002262800000000 ] - [ 0.0005744500000000, 0.0009180200000000, 0.0001623800000000 ] - [ 0.0015388100000000, 0.0007514100000000, 0.0002262800000000 ] - [ 0.0005744500000000, -0.0009180200000000, 0.0001623800000000 ] - [ 0.0024116800000000, 0.0000000000000000, 0.0011023700000000 ] - [ 0.0009492600000000, 0.0000000000000000, 0.0001883900000000 ] - [ 0.0024617600000000, -0.0000055700000000, 0.0008048200000000 ] - [ 0.0024617600000000, 0.0000055700000000, 0.0008048200000000 ] - [ 0.0014631600000000, -0.0008568600000000, 0.0000778300000000 ] - [ 0.0011710400000000, -0.0004759100000000, 0.0000585100000000 ] - [ 0.0017813000000000, 0.0008200200000000, 0.0000680600000000 ] - [ 0.0008879100000000, -0.0001041300000000, 0.0000171800000000 ] - [ 0.0017813000000000, -0.0008200200000000, 0.0000680600000000 ] - [ 0.0008879100000000, 0.0001041300000000, 0.0000171800000000 ] - [ 0.0014631600000000, 0.0008568600000000, 0.0000778300000000 ] - [ 0.0011710400000000, 0.0004759100000000, 0.0000585100000000 ] - [ 0.0011691000000000, -0.0002796200000000, 0.0000381000000000 ] - [ 0.0009726800000000, 0.0012446400000000, 0.0011470700000000 ] - [ 0.0016051900000000, -0.0008282400000000, 0.0009047400000000 ] - [ 0.0011827600000000, -0.0005757200000000, 0.0006304900000000 ] - [ 0.0016051900000000, 0.0008282400000000, 0.0009047400000000 ] - [ 0.0011827600000000, 0.0005757200000000, 0.0006304900000000 ] - [ 0.2756547200000000, 0.0000000000000000, 0.0059271300000000 ] - [ 0.0074293100000000, 0.0000000000000000, 0.0000701500000000 ] - [ 0.0036886600000000, 0.0004499600000000, 0.0015406000000000 ] - [ 0.0036886600000000, -0.0004499600000000, 0.0015406000000000 ] - [ -0.0023918300000000, -0.0006321700000000, -0.0008876300000000 ] - [ -0.0023918300000000, 0.0006321700000000, -0.0008876300000000 ] - [ -0.0035228900000000, 0.0000000000000000, -0.0004218900000000 ] - [ -0.0023491000000000, 0.0000000000000000, -0.0000099500000000 ] - [ -0.0083903900000000, 0.0000000000000000, 0.0138041300000000 ] - [ 0.0003110300000000, 0.0000000000000000, 0.0006028700000000 ] - [ 0.0074276500000000, -0.0085634600000000, -0.0026043000000000 ] - [ 0.0074276500000000, 0.0085634600000000, -0.0026043000000000 ] - [ -0.0023370400000000, -0.0012494400000000, -0.0006658600000000 ] - [ -0.0023370400000000, 0.0012494400000000, -0.0006658600000000 ] - [ -0.0020365900000000, 0.0000000000000000, 0.0001333300000000 ] - [ -0.0013693700000000, 0.0000000000000000, 0.0001842900000000 ] - [ 0.0096969000000000, -0.0176742900000000, 0.0132247600000000 ] - [ 0.0096969000000000, 0.0176742900000000, 0.0132247600000000 ] - [ -0.0047233400000000, 0.0000000000000000, -0.0172439400000000 ] - [ -0.0005676800000000, 0.0000000000000000, -0.0052916900000000 ] - [ -0.0524494800000000, 0.0000000000000000, -0.0096947100000000 ] - [ 0.0002282100000000, 0.0000000000000000, -0.0023518200000000 ] - [ -0.0020282500000000, 0.0024993100000000, -0.0008677500000000 ] - [ -0.0020282500000000, -0.0024993100000000, -0.0008677500000000 ] - [ 0.0022103300000000, 0.0371656400000000, -0.0139884000000000 ] - [ 0.0022103300000000, -0.0371656400000000, -0.0139884000000000 ] - [ 0.0119190300000000, 0.0000000000000000, 0.0054642500000000 ] - [ 0.0057841000000000, 0.0000000000000000, 0.0029116600000000 ] - [ -0.0086091800000000, 0.0000000000000000, -0.0000694000000000 ] - [ -0.0046181400000000, 0.0000000000000000, -0.0008428600000000 ] - [ -0.0053418300000000, -0.0025538500000000, 0.0001077400000000 ] - [ -0.0053418300000000, 0.0025538500000000, 0.0001077400000000 ] - [ -0.0071493500000000, 0.0014661100000000, -0.0000951400000000 ] - [ -0.0071493500000000, -0.0014661100000000, -0.0000951400000000 ] - [ -0.0035571700000000, 0.0000000000000000, -0.0083347100000000 ] - [ 0.0008873600000000, 0.0000000000000000, 0.0000422500000000 ] - [ -0.0109405200000000, 0.0000000000000000, 0.0013868200000000 ] - [ -0.0035661900000000, 0.0000000000000000, -0.0013289300000000 ] - [ -0.0049143700000000, -0.0000207000000000, -0.0001831300000000 ] - [ -0.0049143700000000, 0.0000207000000000, -0.0001831300000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000926900000000, 0.0007943600000000, 0.0000794500000000 ] - [ -0.0000904300000000, -0.0007806200000000, 0.0000892000000000 ] - [ 0.0114744900000000, -0.0033262700000000, -0.0036019700000000 ] - [ -0.0112793700000000, -0.0033035400000000, 0.0034506600000000 ] - [ 0.0003788200000000, 0.0028384000000000, 0.0003468900000000 ] - [ 0.0003749800000000, -0.0021668600000000, 0.0003436500000000 ] - [ -0.0074743800000000, -0.0122653500000000, 0.0085046700000000 ] - [ 0.0067159400000000, -0.0122779000000000, -0.0093056100000000 ] - [ -0.0056001400000000, -0.0003806900000000, 0.0029224300000000 ] - [ 0.0056343700000000, -0.0003753800000000, -0.0029358200000000 ] - [ 0.0061016100000000, 0.0042998000000000, 0.0024207200000000 ] - [ -0.0031677500000000, -0.0051695200000000, -0.0026271600000000 ] - [ 0.0003918900000000, 0.0016836500000000, 0.0000586200000000 ] - [ 0.0001310000000000, -0.0022506000000000, 0.0009142200000000 ] - [ -0.0000047500000000, 0.0021168800000000, -0.0000830500000000 ] - [ 0.0002470600000000, -0.0018377700000000, -0.0009507700000000 ] - [ -0.0064853200000000, 0.0046039000000000, -0.0023277900000000 ] - [ 0.0028075800000000, -0.0047488400000000, 0.0026547400000000 ] - [ -0.0061196700000000, 0.0075460300000000, -0.0127259900000000 ] - [ 0.0041271300000000, -0.0143122600000000, 0.0097010800000000 ] - [ -0.0006133000000000, 0.0024823800000000, -0.0007777200000000 ] - [ -0.0010733000000000, -0.0016607200000000, -0.0000062200000000 ] - [ 0.0005786900000000, 0.0018743900000000, 0.0007520100000000 ] - [ 0.0010804100000000, -0.0022438100000000, 0.0000137600000000 ] - [ 0.0010111000000000, -0.0002847300000000, -0.0009973300000000 ] - [ -0.0011249800000000, -0.0002745800000000, 0.0006251700000000 ] - [ 0.0002764600000000, 0.0244127800000000, 0.0004450700000000 ] - [ 0.0000607200000000, -0.0023051900000000, 0.0001858300000000 ] - [ 0.0003914600000000, 0.0012091600000000, -0.0024896200000000 ] - [ -0.0001045400000000, -0.0019973400000000, 0.0008794600000000 ] - [ 0.0649508800000000, 0.0988070200000000, -0.0667590900000000 ] - [ -0.0012448900000000, -0.0082103400000000, -0.0006430000000000 ] - [ -0.0613913400000000, 0.0954944100000000, 0.0639373400000000 ] - [ 0.0009970700000000, -0.0077605000000000, 0.0007228100000000 ] - [ -0.0001514200000000, 0.0016821500000000, 0.0024111100000000 ] - [ 0.0003352500000000, -0.0015482500000000, -0.0009498700000000 ] - [ 0.0059883700000000, 0.0078240600000000, 0.0131579500000000 ] - [ -0.0042931800000000, -0.0139971100000000, -0.0092702500000000 ] - [ 0.0000905900000000, 0.0049539200000000, -0.0046154500000000 ] - [ -0.0000200000000000, -0.0051962500000000, 0.0045290200000000 ] - [ 0.0000543100000000, 0.0045889500000000, 0.0041377400000000 ] - [ 0.0001757500000000, -0.0055374800000000, -0.0050039500000000 ] - [ 0.0008132200000000, -0.0000314900000000, -0.0003327700000000 ] - [ -0.0010107100000000, -0.0000297600000000, 0.0005180500000000 ] - [ 0.0000546400000000, 0.0015661200000000, -0.0000748800000000 ] - [ 0.0001064000000000, -0.0006706600000000, -0.0000948300000000 ] - [ -0.0002675700000000, -0.0000127100000000, 0.0006297600000000 ] - [ 0.0010212500000000, -0.0000101300000000, 0.0000690900000000 ] - [ -0.0003819300000000, 0.0004635200000000, -0.0003500900000000 ] - [ -0.0003755200000000, -0.0004890800000000, -0.0003493200000000 ] - [ -0.0000041600000000, 0.0017900600000000, -0.0000000500000000 ] - [ -0.0000127400000000, -0.0012532800000000, 0.0000024100000000 ] - [ 0.0010120600000000, 0.0017273700000000, 0.0013194400000000 ] - [ -0.0014920400000000, -0.0024127400000000, -0.0014819400000000 ] - [ 0.0001579300000000, 0.0005697200000000, -0.0007008700000000 ] - [ 0.0002280400000000, -0.0010927500000000, 0.0006625400000000 ] - [ 0.0002206200000000, 0.0009816500000000, 0.0006653700000000 ] - [ 0.0001615400000000, -0.0006592900000000, -0.0006802600000000 ] - [ -0.0013982700000000, 0.0021558600000000, -0.0012972700000000 ] - [ 0.0011077300000000, -0.0019925600000000, 0.0015090100000000 ] - [ -0.0005642000000000, 0.0006213300000000, -0.0002160600000000 ] - [ 0.0003470500000000, -0.0009380600000000, 0.0006903000000000 ] - [ 0.0003596600000000, 0.0009480300000000, -0.0011875400000000 ] - [ -0.0003694000000000, -0.0003642500000000, 0.0009971600000000 ] - [ -0.0003561600000000, 0.0003698200000000, 0.0011844300000000 ] - [ 0.0003671700000000, -0.0009563900000000, -0.0009988400000000 ] - [ -0.0000611300000000, 0.0001801400000000, -0.0001844500000000 ] - [ -0.0000550400000000, -0.0002807100000000, -0.0001817200000000 ] - [ 0.0013066200000000, -0.0000381000000000, 0.0002849100000000 ] - [ -0.0011943200000000, -0.0000360000000000, 0.0000780300000000 ] - [ 0.0000262900000000, -0.0000012800000000, -0.0000423100000000 ] - [ 0.0002232400000000, -0.0004597100000000, -0.0000092400000000 ] - [ 0.0000765100000000, 0.0001374000000000, 0.0000511100000000 ] - [ -0.0002802400000000, -0.0005544000000000, 0.0000071900000000 ] - [ -0.0003158100000000, 0.0005993900000000, 0.0000161800000000 ] - [ 0.0000464900000000, -0.0000995400000000, 0.0000602200000000 ] - [ 0.0002073100000000, 0.0004542700000000, -0.0000256700000000 ] - [ 0.0000123900000000, 0.0000000900000000, -0.0000587100000000 ] - [ 0.0004244000000000, 0.0009594100000000, 0.0006729900000000 ] - [ -0.0004876000000000, -0.0006111400000000, -0.0002409800000000 ] - [ -0.0000328000000000, 0.0006592600000000, -0.0004401800000000 ] - [ 0.0001492100000000, -0.0003162700000000, -0.0000114800000000 ] - [ 0.0001739600000000, 0.0003314500000000, -0.0000095800000000 ] - [ -0.0000095400000000, -0.0006490500000000, -0.0004408800000000 ] - [ -0.0037941600000000, -0.2705288900000000, 0.0024312100000000 ] - [ 0.0005192500000000, 0.0136935900000000, -0.0003667800000000 ] - [ -0.0009726600000000, 0.0007909200000000, 0.0000618500000000 ] - [ -0.0000741100000000, 0.0007701300000000, 0.0006769300000000 ] - [ -0.0001028600000000, -0.0000212900000000, -0.0006199500000000 ] - [ 0.0011553000000000, -0.0000262800000000, -0.0001008500000000 ] - [ -0.0005223400000000, -0.0004878100000000, 0.0003616700000000 ] - [ -0.0005264200000000, 0.0004597800000000, 0.0003602500000000 ] - [ -0.0002921600000000, -0.0104446500000000, -0.0001652400000000 ] - [ -0.0002536300000000, 0.0027265500000000, -0.0001999500000000 ] - [ 0.0088451900000000, 0.0091685100000000, 0.0100280800000000 ] - [ -0.0083851300000000, 0.0091793700000000, -0.0097326200000000 ] - [ -0.0000665700000000, -0.0000758400000000, -0.0000696300000000 ] - [ -0.0004463300000000, -0.0000848100000000, -0.0003244800000000 ] - [ 0.0002580200000000, -0.0008113900000000, 0.0001981900000000 ] - [ 0.0002580900000000, 0.0007784900000000, 0.0001979800000000 ] - [ 0.0191738900000000, 0.0061241300000000, -0.0115157200000000 ] - [ -0.0187074700000000, 0.0060836300000000, 0.0122644300000000 ] - [ -0.0003507100000000, -0.0218058500000000, -0.0003322800000000 ] - [ -0.0003273900000000, 0.0133727800000000, -0.0003131500000000 ] - [ -0.0003043600000000, -0.0159594100000000, -0.0002099500000000 ] - [ -0.0004951100000000, 0.0076121400000000, -0.0001638600000000 ] - [ -0.0009900900000000, 0.0004776600000000, 0.0016497500000000 ] - [ 0.0019555500000000, 0.0004579100000000, -0.0013318800000000 ] - [ -0.0309463300000000, 0.0474030900000000, -0.0220355200000000 ] - [ 0.0312101200000000, 0.0476112400000000, 0.0209017100000000 ] - [ 0.0000892000000000, -0.0107533500000000, 0.0005546000000000 ] - [ 0.0000947000000000, 0.0086830000000000, 0.0005577700000000 ] - [ 0.0003525800000000, -0.0030790400000000, 0.0003370200000000 ] - [ 0.0003572200000000, 0.0031610600000000, 0.0003351800000000 ] - [ 0.0030759700000000, 0.0000367900000000, -0.0018470900000000 ] - [ -0.0037876000000000, 0.0000171500000000, 0.0011754200000000 ] - [ -0.0090280000000000, 0.0003369300000000, 0.0015593600000000 ] - [ 0.0080660900000000, 0.0003264000000000, -0.0018692400000000 ] - [ 0.0004989400000000, -0.0010428600000000, 0.0001801900000000 ] - [ 0.0004733500000000, 0.0023576500000000, 0.0001495000000000 ] - [ -0.0000823900000000, -0.0014825900000000, -0.0005457300000000 ] - [ -0.0001021900000000, 0.0014103400000000, -0.0005385500000000 ] - [ -0.0003080200000000, 0.0000066800000000, 0.0006977800000000 ] - [ 0.0005034800000000, 0.0000022100000000, 0.0003824200000000 ]- atom: 85 displacement: [ -0.0011848924261905, 0.0000000000000000, 0.0099295533604667 ] forces: - [ 0.0030012700000000, 0.0000000000000000, -0.0028215100000000 ] - [ 0.0005144900000000, 0.0000000000000000, -0.0004522800000000 ] - [ 0.0005212200000000, -0.0013959100000000, 0.0012716400000000 ] - [ 0.0005212200000000, 0.0013959100000000, 0.0012716400000000 ] - [ 0.0002904000000000, 0.0000000000000000, -0.0041682400000000 ] - [ 0.0003615500000000, 0.0000000000000000, -0.0001221000000000 ] - [ -0.0033866900000000, 0.0054479700000000, 0.0035085800000000 ] - [ -0.0033866900000000, -0.0054479700000000, 0.0035085800000000 ] - [ 0.0020378300000000, 0.0000542200000000, -0.0004723100000000 ] - [ 0.0020378300000000, -0.0000542200000000, -0.0004723100000000 ] - [ 0.0017831800000000, 0.0039981200000000, 0.0090127800000000 ] - [ 0.0008016000000000, 0.0014219700000000, 0.0018514600000000 ] - [ -0.0006908300000000, 0.0017762600000000, -0.0031487700000000 ] - [ 0.0001787700000000, -0.0004123300000000, -0.0001649800000000 ] - [ -0.0006908300000000, -0.0017762600000000, -0.0031487700000000 ] - [ 0.0001787700000000, 0.0004123300000000, -0.0001649800000000 ] - [ 0.0017831800000000, -0.0039981200000000, 0.0090127800000000 ] - [ 0.0008016000000000, -0.0014219700000000, 0.0018514600000000 ] - [ -0.0041218600000000, -0.0082231500000000, 0.0037572600000000 ] - [ 0.0001065400000000, -0.0023876000000000, 0.0021504600000000 ] - [ -0.0027829700000000, 0.0004609500000000, -0.0015696800000000 ] - [ -0.0006742400000000, -0.0006285600000000, 0.0004193500000000 ] - [ -0.0027829700000000, -0.0004609500000000, -0.0015696800000000 ] - [ -0.0006742400000000, 0.0006285600000000, 0.0004193500000000 ] - [ 0.0002753700000000, -0.0004670400000000, -0.0008283800000000 ] - [ 0.0002753700000000, 0.0004670400000000, -0.0008283800000000 ] - [ 0.0640377700000000, 0.0000000000000000, 0.1344572100000000 ] - [ 0.0001943100000000, 0.0000000000000000, 0.0014974800000000 ] - [ 0.0007587800000000, -0.0004133700000000, -0.0044921400000000 ] - [ 0.0006573700000000, 0.0002523100000000, -0.0011473500000000 ] - [ -0.0501803500000000, -0.0544741600000000, 0.0750689700000000 ] - [ -0.0005385300000000, -0.0006305600000000, 0.0020961400000000 ] - [ -0.0501803500000000, 0.0544741600000000, 0.0750689700000000 ] - [ -0.0005385300000000, 0.0006305600000000, 0.0020961400000000 ] - [ 0.0007587800000000, 0.0004133700000000, -0.0044921400000000 ] - [ 0.0006573700000000, -0.0002523100000000, -0.0011473500000000 ] - [ -0.0041218600000000, 0.0082231500000000, 0.0037572600000000 ] - [ 0.0001065400000000, 0.0023876000000000, 0.0021504600000000 ] - [ 0.0019210700000000, -0.0012246400000000, -0.0034618200000000 ] - [ -0.0000176300000000, 0.0012689000000000, -0.0010922300000000 ] - [ 0.0019210700000000, 0.0012246400000000, -0.0034618200000000 ] - [ -0.0000176300000000, -0.0012689000000000, -0.0010922300000000 ] - [ -0.0003579600000000, 0.0000471800000000, 0.0000096100000000 ] - [ -0.0003579600000000, -0.0000471800000000, 0.0000096100000000 ] - [ -0.0078888800000000, 0.0000000000000000, 0.0031627900000000 ] - [ 0.0003871500000000, 0.0000000000000000, 0.0000330700000000 ] - [ 0.0002534000000000, -0.0000558900000000, 0.0002556700000000 ] - [ 0.0002534000000000, 0.0000558900000000, 0.0002556700000000 ] - [ -0.0018120600000000, 0.0000000000000000, -0.0002012700000000 ] - [ -0.0003859600000000, 0.0000000000000000, -0.0002661600000000 ] - [ -0.0038647500000000, 0.0000000000000000, 0.0010453100000000 ] - [ -0.0005066400000000, 0.0000000000000000, 0.0000970800000000 ] - [ -0.0002478700000000, 0.0000681700000000, 0.0005288400000000 ] - [ -0.0000979400000000, 0.0000172600000000, 0.0002196700000000 ] - [ -0.0000197000000000, 0.0004197800000000, -0.0008506100000000 ] - [ 0.0001357400000000, -0.0001118800000000, -0.0002586400000000 ] - [ -0.0000197000000000, -0.0004197800000000, -0.0008506100000000 ] - [ 0.0001357400000000, 0.0001118800000000, -0.0002586400000000 ] - [ -0.0002478700000000, -0.0000681700000000, 0.0005288400000000 ] - [ -0.0000979400000000, -0.0000172600000000, 0.0002196700000000 ] - [ 0.0000621800000000, -0.0006815500000000, 0.0006108700000000 ] - [ 0.0000372900000000, -0.0001834500000000, 0.0002390100000000 ] - [ 0.0006253000000000, -0.0005580100000000, -0.0004432400000000 ] - [ -0.0000338400000000, 0.0003397300000000, -0.0003378000000000 ] - [ 0.0006253000000000, 0.0005580100000000, -0.0004432400000000 ] - [ -0.0000338400000000, -0.0003397300000000, -0.0003378000000000 ] - [ -0.0004969800000000, 0.0000000000000000, -0.0006520600000000 ] - [ -0.0002030300000000, 0.0000000000000000, -0.0003474500000000 ] - [ -0.0000280100000000, -0.0000559400000000, 0.0002248500000000 ] - [ -0.0000280100000000, 0.0000559400000000, 0.0002248500000000 ] - [ -0.0000536600000000, -0.0001118200000000, -0.0001394300000000 ] - [ -0.0000044700000000, -0.0001886800000000, -0.0001095900000000 ] - [ -0.0003978600000000, -0.0004374000000000, 0.0000905400000000 ] - [ -0.0001128700000000, -0.0001162500000000, 0.0001130200000000 ] - [ -0.0003978600000000, 0.0004374000000000, 0.0000905400000000 ] - [ -0.0001128700000000, 0.0001162500000000, 0.0001130200000000 ] - [ -0.0000536600000000, 0.0001118200000000, -0.0001394300000000 ] - [ -0.0000044700000000, 0.0001886800000000, -0.0001095900000000 ] - [ 0.0000621800000000, 0.0006815500000000, 0.0006108700000000 ] - [ 0.0000372900000000, 0.0001834500000000, 0.0002390100000000 ] - [ -0.0003054400000000, 0.0004486400000000, -0.0004320900000000 ] - [ -0.0000059700000000, 0.0001520800000000, -0.0002342400000000 ] - [ -0.0003054400000000, -0.0004486400000000, -0.0004320900000000 ] - [ -0.0000059700000000, -0.0001520800000000, -0.0002342400000000 ] - [ 0.0316767800000000, 0.0000000000000000, -0.2898026000000000 ] - [ 0.0009254600000000, 0.0000000000000000, -0.0029309100000000 ] - [ -0.0011889500000000, -0.0002708300000000, 0.0029903900000000 ] - [ -0.0011889500000000, 0.0002708300000000, 0.0029903900000000 ] - [ 0.0007055200000000, 0.0001838200000000, -0.0004440100000000 ] - [ 0.0007055200000000, -0.0001838200000000, -0.0004440100000000 ] - [ -0.0001052700000000, 0.0000000000000000, 0.0006210900000000 ] - [ -0.0003750400000000, 0.0000000000000000, 0.0004845400000000 ] - [ -0.0130254200000000, 0.0000000000000000, 0.0114385100000000 ] - [ -0.0003955000000000, 0.0000000000000000, -0.0002125100000000 ] - [ 0.0047327200000000, 0.0115491000000000, 0.0038949700000000 ] - [ 0.0047327200000000, -0.0115491000000000, 0.0038949700000000 ] - [ 0.0001583900000000, 0.0003534800000000, -0.0001338600000000 ] - [ 0.0001583900000000, -0.0003534800000000, -0.0001338600000000 ] - [ 0.0002742300000000, 0.0000000000000000, 0.0002446200000000 ] - [ 0.0003589300000000, 0.0000000000000000, 0.0002350500000000 ] - [ -0.0077141500000000, -0.0056942500000000, -0.0010578700000000 ] - [ -0.0077141500000000, 0.0056942500000000, -0.0010578700000000 ] - [ 0.0093444000000000, 0.0000000000000000, 0.0110417900000000 ] - [ 0.0004744500000000, 0.0000000000000000, 0.0005630600000000 ] - [ 0.0233102300000000, 0.0000000000000000, -0.0168452300000000 ] - [ -0.0010273300000000, 0.0000000000000000, -0.0031582100000000 ] - [ 0.0007206300000000, -0.0007357300000000, 0.0023429000000000 ] - [ 0.0007206300000000, 0.0007357300000000, 0.0023429000000000 ] - [ 0.0039073600000000, 0.0007091400000000, -0.0227590200000000 ] - [ 0.0039073600000000, -0.0007091400000000, -0.0227590200000000 ] - [ -0.0034511700000000, 0.0000000000000000, 0.0159803000000000 ] - [ 0.0002253300000000, 0.0000000000000000, 0.0029794600000000 ] - [ 0.0033734000000000, 0.0000000000000000, -0.0012662000000000 ] - [ 0.0007678400000000, 0.0000000000000000, -0.0000680100000000 ] - [ -0.0014486900000000, 0.0005340200000000, 0.0004264000000000 ] - [ -0.0014486900000000, -0.0005340200000000, 0.0004264000000000 ] - [ -0.0009471100000000, 0.0004730300000000, -0.0006901200000000 ] - [ -0.0009471100000000, -0.0004730300000000, -0.0006901200000000 ] - [ 0.0006371000000000, 0.0000000000000000, 0.0049770600000000 ] - [ 0.0004963200000000, 0.0000000000000000, 0.0011914600000000 ] - [ 0.0019132700000000, 0.0000000000000000, -0.0013402300000000 ] - [ -0.0003780100000000, 0.0000000000000000, -0.0006827600000000 ] - [ 0.0006530200000000, -0.0001506400000000, 0.0008287100000000 ] - [ 0.0006530200000000, 0.0001506400000000, 0.0008287100000000 ]- atom: 85 displacement: [ 0.0011848924261905, 0.0000000000000000, -0.0099295533604667 ] forces: - [ -0.0031395800000000, 0.0000000000000000, 0.0029921400000000 ] - [ -0.0006999000000000, 0.0000000000000000, 0.0006460300000000 ] - [ -0.0002745600000000, 0.0013717500000000, -0.0014583700000000 ] - [ -0.0002745600000000, -0.0013717500000000, -0.0014583700000000 ] - [ 0.0004450100000000, 0.0000000000000000, 0.0048360400000000 ] - [ 0.0003919300000000, 0.0000000000000000, 0.0008167000000000 ] - [ 0.0026062500000000, -0.0054640800000000, -0.0041371200000000 ] - [ 0.0026062500000000, 0.0054640800000000, -0.0041371200000000 ] - [ -0.0020350200000000, -0.0000537100000000, 0.0004800600000000 ] - [ -0.0020350200000000, 0.0000537100000000, 0.0004800600000000 ] - [ -0.0021864600000000, -0.0043981500000000, -0.0089616500000000 ] - [ -0.0011775500000000, -0.0018518800000000, -0.0018250900000000 ] - [ 0.0010566500000000, -0.0021921600000000, 0.0031121600000000 ] - [ 0.0001980300000000, -0.0000271000000000, 0.0001491200000000 ] - [ 0.0010566500000000, 0.0021921600000000, 0.0031121600000000 ] - [ 0.0001980300000000, 0.0000271000000000, 0.0001491200000000 ] - [ -0.0021864600000000, 0.0043981500000000, -0.0089616500000000 ] - [ -0.0011775500000000, 0.0018518800000000, -0.0018250900000000 ] - [ 0.0039505000000000, 0.0078049500000000, -0.0032110900000000 ] - [ -0.0002443200000000, 0.0020392600000000, -0.0016831400000000 ] - [ 0.0027563000000000, 0.0001485100000000, 0.0015366300000000 ] - [ 0.0006748600000000, 0.0012203600000000, -0.0004194700000000 ] - [ 0.0027563000000000, -0.0001485100000000, 0.0015366300000000 ] - [ 0.0006748600000000, -0.0012203600000000, -0.0004194700000000 ] - [ -0.0004010900000000, 0.0004709500000000, 0.0004367100000000 ] - [ -0.0004010900000000, -0.0004709500000000, 0.0004367100000000 ] - [ -0.0684047700000000, 0.0000000000000000, -0.1384968700000000 ] - [ -0.0000813000000000, 0.0000000000000000, -0.0011221900000000 ] - [ -0.0005255600000000, -0.0000174700000000, 0.0044326200000000 ] - [ -0.0004078400000000, -0.0007277100000000, 0.0010689800000000 ] - [ 0.0516091000000000, 0.0562803900000000, -0.0758237500000000 ] - [ 0.0002846200000000, 0.0001526200000000, -0.0020085300000000 ] - [ 0.0516091000000000, -0.0562803900000000, -0.0758237500000000 ] - [ 0.0002846200000000, -0.0001526200000000, -0.0020085300000000 ] - [ -0.0005255600000000, 0.0000174700000000, 0.0044326200000000 ] - [ -0.0004078400000000, 0.0007277100000000, 0.0010689800000000 ] - [ 0.0039505000000000, -0.0078049500000000, -0.0032110900000000 ] - [ -0.0002443200000000, -0.0020392600000000, -0.0016831400000000 ] - [ -0.0017458000000000, 0.0015195600000000, 0.0030224700000000 ] - [ 0.0001683800000000, -0.0009422400000000, 0.0006520300000000 ] - [ -0.0017458000000000, -0.0015195600000000, 0.0030224700000000 ] - [ 0.0001683800000000, 0.0009422400000000, 0.0006520300000000 ] - [ 0.0001553800000000, -0.0000461000000000, 0.0001874800000000 ] - [ 0.0001553800000000, 0.0000461000000000, 0.0001874800000000 ] - [ 0.0080399200000000, 0.0000000000000000, -0.0033557400000000 ] - [ -0.0001921100000000, 0.0000000000000000, -0.0002286900000000 ] - [ 0.0004999600000000, 0.0000557400000000, 0.0004342600000000 ] - [ 0.0004999600000000, -0.0000557400000000, 0.0004342600000000 ] - [ 0.0010473400000000, 0.0000000000000000, -0.0004863000000000 ] - [ -0.0003677500000000, 0.0000000000000000, -0.0004225000000000 ] - [ 0.0038286200000000, 0.0000000000000000, -0.0010292800000000 ] - [ 0.0005024700000000, 0.0000000000000000, -0.0000928100000000 ] - [ -0.0001297100000000, -0.0004961500000000, -0.0005048700000000 ] - [ -0.0002776700000000, -0.0004450600000000, -0.0001970800000000 ] - [ 0.0004006100000000, -0.0008526000000000, 0.0008295100000000 ] - [ 0.0002442200000000, -0.0003229600000000, 0.0002413900000000 ] - [ 0.0004006100000000, 0.0008526000000000, 0.0008295100000000 ] - [ 0.0002442200000000, 0.0003229600000000, 0.0002413900000000 ] - [ -0.0001297100000000, 0.0004961500000000, -0.0005048700000000 ] - [ -0.0002776700000000, 0.0004450600000000, -0.0001970800000000 ] - [ -0.0002103300000000, 0.0003465400000000, -0.0001529800000000 ] - [ -0.0001844500000000, -0.0001468900000000, 0.0002148500000000 ] - [ -0.0006314600000000, 0.0011579100000000, 0.0004288400000000 ] - [ 0.0000318300000000, 0.0002500200000000, 0.0003272900000000 ] - [ -0.0006314600000000, -0.0011579100000000, 0.0004288400000000 ] - [ 0.0000318300000000, -0.0002500200000000, 0.0003272900000000 ] - [ 0.0003796400000000, 0.0000000000000000, 0.0002701600000000 ] - [ 0.0000856300000000, 0.0000000000000000, -0.0000317800000000 ] - [ 0.0001461500000000, 0.0000555100000000, 0.0001509800000000 ] - [ 0.0001461500000000, -0.0000555100000000, 0.0001509800000000 ] - [ 0.0002979800000000, -0.0003526100000000, 0.0000624400000000 ] - [ 0.0002488500000000, -0.0002756000000000, 0.0000332900000000 ] - [ 0.0001495500000000, -0.0000293200000000, -0.0000140900000000 ] - [ -0.0001332700000000, -0.0003483600000000, -0.0000348500000000 ] - [ 0.0001495500000000, 0.0000293200000000, -0.0000140900000000 ] - [ -0.0001332700000000, 0.0003483600000000, -0.0000348500000000 ] - [ 0.0002979800000000, 0.0003526100000000, 0.0000624400000000 ] - [ 0.0002488500000000, 0.0002756000000000, 0.0000332900000000 ] - [ -0.0002103300000000, -0.0003465400000000, -0.0001529800000000 ] - [ -0.0001844500000000, 0.0001468900000000, 0.0002148500000000 ] - [ 0.0004507700000000, -0.0001173500000000, -0.0000211800000000 ] - [ 0.0001545300000000, 0.0001757800000000, -0.0002164400000000 ] - [ 0.0004507700000000, 0.0001173500000000, -0.0000211800000000 ] - [ 0.0001545300000000, -0.0001757800000000, -0.0002164400000000 ] - [ -0.0294127800000000, 0.0000000000000000, 0.2953008300000000 ] - [ 0.0001470000000000, 0.0000000000000000, 0.0022049400000000 ] - [ 0.0001462700000000, 0.0002328100000000, -0.0022530800000000 ] - [ 0.0001462700000000, -0.0002328100000000, -0.0022530800000000 ] - [ 0.0003563800000000, -0.0001824700000000, -0.0002836000000000 ] - [ 0.0003563800000000, 0.0001824700000000, -0.0002836000000000 ] - [ -0.0009542300000000, 0.0000000000000000, 0.0001060200000000 ] - [ -0.0006854100000000, 0.0000000000000000, 0.0002425100000000 ] - [ 0.0126405400000000, 0.0000000000000000, -0.0118568000000000 ] - [ -0.0001355900000000, 0.0000000000000000, -0.0001606700000000 ] - [ -0.0042258900000000, -0.0115903400000000, -0.0034784700000000 ] - [ -0.0042258900000000, 0.0115903400000000, -0.0034784700000000 ] - [ -0.0006875000000000, -0.0003504200000000, -0.0002457100000000 ] - [ -0.0006875000000000, 0.0003504200000000, -0.0002457100000000 ] - [ 0.0002599300000000, 0.0000000000000000, 0.0001398200000000 ] - [ 0.0001734700000000, 0.0000000000000000, 0.0001487700000000 ] - [ 0.0084145500000000, 0.0056810700000000, 0.0016393700000000 ] - [ 0.0084145500000000, -0.0056810700000000, 0.0016393700000000 ] - [ -0.0099626900000000, 0.0000000000000000, -0.0116858900000000 ] - [ -0.0011926900000000, 0.0000000000000000, -0.0012667500000000 ] - [ -0.0240752400000000, 0.0000000000000000, 0.0165210800000000 ] - [ 0.0000771000000000, 0.0000000000000000, 0.0028246700000000 ] - [ 0.0002485500000000, 0.0007190800000000, -0.0019941800000000 ] - [ 0.0002485500000000, -0.0007190800000000, -0.0019941800000000 ] - [ -0.0042450200000000, -0.0005235100000000, 0.0213796900000000 ] - [ -0.0042450200000000, 0.0005235100000000, 0.0213796900000000 ] - [ 0.0036101900000000, 0.0000000000000000, -0.0148019200000000 ] - [ -0.0000142200000000, 0.0000000000000000, -0.0018894800000000 ] - [ -0.0026246300000000, 0.0000000000000000, 0.0019295900000000 ] - [ -0.0000426200000000, 0.0000000000000000, 0.0007404200000000 ] - [ 0.0007196900000000, -0.0005315500000000, -0.0011136400000000 ] - [ 0.0007196900000000, 0.0005315500000000, -0.0011136400000000 ] - [ -0.0000297700000000, -0.0004747900000000, 0.0003764600000000 ] - [ -0.0000297700000000, 0.0004747900000000, 0.0003764600000000 ] - [ 0.0002830300000000, 0.0000000000000000, -0.0045992100000000 ] - [ 0.0004483700000000, 0.0000000000000000, -0.0008591800000000 ] - [ -0.0021137000000000, 0.0000000000000000, 0.0002285400000000 ] - [ 0.0001550000000000, 0.0000000000000000, -0.0004193000000000 ] - [ -0.0004247200000000, 0.0001483000000000, 0.0002703100000000 ] - [ -0.0004247200000000, -0.0001483000000000, 0.0002703100000000 ]- atom: 93 displacement: [ 0.0099999983100469, 0.0000000000000000, 0.0000058136957938 ] forces: - [ -0.0037869700000000, 0.0000000000000000, 0.0004258000000000 ] - [ -0.0014945300000000, 0.0000000000000000, 0.0003813800000000 ] - [ 0.0071207600000000, 0.0009326700000000, -0.0033320000000000 ] - [ 0.0071207600000000, -0.0009326700000000, -0.0033320000000000 ] - [ 0.0082274300000000, 0.0000000000000000, -0.0029087000000000 ] - [ 0.0033353400000000, 0.0000000000000000, -0.0002621900000000 ] - [ 0.0004727600000000, -0.0015708300000000, 0.0007177600000000 ] - [ 0.0004727600000000, 0.0015708300000000, 0.0007177600000000 ] - [ -0.0026842800000000, -0.0002046100000000, 0.0009395400000000 ] - [ -0.0026842800000000, 0.0002046100000000, 0.0009395400000000 ] - [ -0.0013120700000000, 0.0003763000000000, 0.0003454900000000 ] - [ -0.0008079900000000, -0.0011333000000000, -0.0005609300000000 ] - [ 0.0028139400000000, 0.0000005100000000, 0.0059182800000000 ] - [ 0.0031852800000000, -0.0035427500000000, 0.0025042700000000 ] - [ 0.0028139400000000, -0.0000005100000000, 0.0059182800000000 ] - [ 0.0031852800000000, 0.0035427500000000, 0.0025042700000000 ] - [ -0.0013120700000000, -0.0003763000000000, 0.0003454900000000 ] - [ -0.0008079900000000, 0.0011333000000000, -0.0005609300000000 ] - [ 0.0029415700000000, -0.0015070400000000, 0.0036220200000000 ] - [ 0.0016402500000000, -0.0023500700000000, 0.0020796100000000 ] - [ -0.0013360900000000, 0.0003934900000000, -0.0006602700000000 ] - [ -0.0008706000000000, -0.0000241200000000, -0.0004672100000000 ] - [ -0.0013360900000000, -0.0003934900000000, -0.0006602700000000 ] - [ -0.0008706000000000, 0.0000241200000000, -0.0004672100000000 ] - [ 0.0069868800000000, -0.0000808200000000, 0.0009873800000000 ] - [ 0.0069868800000000, 0.0000808200000000, 0.0009873800000000 ] - [ -0.0048503500000000, 0.0000000000000000, 0.0016828300000000 ] - [ -0.0000650600000000, 0.0000000000000000, 0.0005184500000000 ] - [ 0.0025077400000000, -0.0039120600000000, -0.0051238300000000 ] - [ 0.0007939900000000, 0.0017251600000000, -0.0001505000000000 ] - [ 0.0035836300000000, 0.0001459300000000, 0.0018086400000000 ] - [ 0.0008105200000000, -0.0006233400000000, 0.0003275500000000 ] - [ 0.0035836300000000, -0.0001459300000000, 0.0018086400000000 ] - [ 0.0008105200000000, 0.0006233400000000, 0.0003275500000000 ] - [ 0.0025077400000000, 0.0039120600000000, -0.0051238300000000 ] - [ 0.0007939900000000, -0.0017251600000000, -0.0001505000000000 ] - [ 0.0029415700000000, 0.0015070400000000, 0.0036220200000000 ] - [ 0.0016402500000000, 0.0023500700000000, 0.0020796100000000 ] - [ -0.0008762400000000, 0.0021086200000000, -0.0026967900000000 ] - [ 0.0000321400000000, -0.0002566100000000, -0.0000825300000000 ] - [ -0.0008762400000000, -0.0021086200000000, -0.0026967900000000 ] - [ 0.0000321400000000, 0.0002566100000000, -0.0000825300000000 ] - [ -0.0021471400000000, 0.0007756100000000, 0.0014352600000000 ] - [ -0.0021471400000000, -0.0007756100000000, 0.0014352600000000 ] - [ -0.0039266700000000, 0.0000000000000000, 0.0013126200000000 ] - [ -0.0023060600000000, 0.0000000000000000, 0.0006761000000000 ] - [ -0.0021825700000000, 0.0000470700000000, 0.0006575300000000 ] - [ -0.0021825700000000, -0.0000470700000000, 0.0006575300000000 ] - [ -0.0030169700000000, 0.0000000000000000, -0.0004993000000000 ] - [ -0.0022300100000000, 0.0000000000000000, -0.0003928400000000 ] - [ 0.0017921200000000, 0.0000000000000000, -0.0003484900000000 ] - [ 0.0021381600000000, 0.0000000000000000, -0.0007746300000000 ] - [ -0.0015924000000000, -0.0004316000000000, -0.0024597600000000 ] - [ -0.0013828400000000, -0.0026261700000000, -0.0017560000000000 ] - [ -0.0011097400000000, 0.0008488600000000, -0.0009966300000000 ] - [ -0.0006899700000000, 0.0001823000000000, -0.0004872800000000 ] - [ -0.0011097400000000, -0.0008488600000000, -0.0009966300000000 ] - [ -0.0006899700000000, -0.0001823000000000, -0.0004872800000000 ] - [ -0.0015924000000000, 0.0004316000000000, -0.0024597600000000 ] - [ -0.0013828400000000, 0.0026261700000000, -0.0017560000000000 ] - [ -0.0010243100000000, 0.0003505900000000, -0.0004693400000000 ] - [ -0.0009498600000000, 0.0004281500000000, -0.0004799200000000 ] - [ 0.0057389200000000, 0.0044289800000000, 0.0004542000000000 ] - [ 0.0008278200000000, -0.0031137500000000, 0.0001509200000000 ] - [ 0.0057389200000000, -0.0044289800000000, 0.0004542000000000 ] - [ 0.0008278200000000, 0.0031137500000000, 0.0001509200000000 ] - [ -0.0019768200000000, 0.0000000000000000, -0.0007394300000000 ] - [ -0.0013903700000000, 0.0000000000000000, -0.0005732800000000 ] - [ -0.0015371500000000, 0.0006140700000000, -0.0007794100000000 ] - [ -0.0015371500000000, -0.0006140700000000, -0.0007794100000000 ] - [ -0.0010550400000000, -0.0000719200000000, 0.0002906800000000 ] - [ -0.0006925700000000, 0.0001100800000000, -0.0000160600000000 ] - [ -0.0012266900000000, -0.0005020800000000, -0.0001987700000000 ] - [ -0.0011016500000000, -0.0007438200000000, -0.0000261400000000 ] - [ -0.0012266900000000, 0.0005020800000000, -0.0001987700000000 ] - [ -0.0011016500000000, 0.0007438200000000, -0.0000261400000000 ] - [ -0.0010550400000000, 0.0000719200000000, 0.0002906800000000 ] - [ -0.0006925700000000, -0.0001100800000000, -0.0000160600000000 ] - [ -0.0010243100000000, -0.0003505900000000, -0.0004693400000000 ] - [ -0.0009498600000000, -0.0004281500000000, -0.0004799200000000 ] - [ -0.0007285100000000, 0.0008004500000000, -0.0010641500000000 ] - [ -0.0004065900000000, 0.0001585800000000, -0.0004552600000000 ] - [ -0.0007285100000000, -0.0008004500000000, -0.0010641500000000 ] - [ -0.0004065900000000, -0.0001585800000000, -0.0004552600000000 ] - [ 0.0086587600000000, 0.0000000000000000, -0.0122482000000000 ] - [ -0.0000498700000000, 0.0000000000000000, -0.0005618400000000 ] - [ -0.0076255400000000, 0.0086258600000000, 0.0040399300000000 ] - [ -0.0076255400000000, -0.0086258600000000, 0.0040399300000000 ] - [ 0.0026003100000000, -0.0001915900000000, 0.0003107500000000 ] - [ 0.0026003100000000, 0.0001915900000000, 0.0003107500000000 ] - [ 0.0017714600000000, 0.0000000000000000, 0.0006440500000000 ] - [ 0.0011047100000000, 0.0000000000000000, 0.0006510800000000 ] - [ -0.0479242300000000, 0.0000000000000000, 0.0054565200000000 ] - [ -0.0031776000000000, 0.0000000000000000, -0.0004201200000000 ] - [ 0.0032421500000000, 0.0031968000000000, -0.0004613400000000 ] - [ 0.0032421500000000, -0.0031968000000000, -0.0004613400000000 ] - [ 0.0012386300000000, 0.0001065500000000, -0.0001897700000000 ] - [ 0.0012386300000000, -0.0001065500000000, -0.0001897700000000 ] - [ 0.0068634200000000, 0.0000000000000000, 0.0010697400000000 ] - [ 0.0013658300000000, 0.0000000000000000, 0.0001219100000000 ] - [ 0.0029135500000000, 0.0024989000000000, 0.0005969500000000 ] - [ 0.0029135500000000, -0.0024989000000000, 0.0005969500000000 ] - [ -0.0132057800000000, 0.0000000000000000, -0.0120936800000000 ] - [ -0.0062039800000000, 0.0000000000000000, -0.0034579100000000 ] - [ 0.0063151700000000, 0.0000000000000000, -0.0008355900000000 ] - [ 0.0020519800000000, 0.0000000000000000, 0.0003314900000000 ] - [ -0.0019488500000000, -0.0158839000000000, -0.0092268000000000 ] - [ -0.0019488500000000, 0.0158839000000000, -0.0092268000000000 ] - [ -0.0089794800000000, 0.0053429100000000, -0.0047990000000000 ] - [ -0.0089794800000000, -0.0053429100000000, -0.0047990000000000 ] - [ 0.0053192300000000, 0.0000000000000000, 0.0123402000000000 ] - [ -0.0002165600000000, 0.0000000000000000, 0.0014592100000000 ] - [ 0.0027094100000000, 0.0000000000000000, 0.0040025600000000 ] - [ 0.0009026200000000, 0.0000000000000000, 0.0025790500000000 ] - [ 0.0038646200000000, 0.0004287700000000, 0.0003185600000000 ] - [ 0.0038646200000000, -0.0004287700000000, 0.0003185600000000 ] - [ 0.0003714300000000, -0.0103734000000000, 0.0093009900000000 ] - [ 0.0003714300000000, 0.0103734000000000, 0.0093009900000000 ] - [ 0.0058909000000000, 0.0000000000000000, 0.0013340700000000 ] - [ 0.0032121200000000, 0.0000000000000000, 0.0010064900000000 ] - [ 0.0044940100000000, 0.0000000000000000, -0.0001206800000000 ] - [ 0.0032322800000000, 0.0000000000000000, 0.0000993900000000 ] - [ 0.0037996900000000, -0.0007212800000000, 0.0002053300000000 ] - [ 0.0037996900000000, 0.0007212800000000, 0.0002053300000000 ]- atom: 93 displacement: [ -0.0099999983100469, 0.0000000000000000, -0.0000058136957938 ] forces: - [ 0.0035793900000000, 0.0000000000000000, -0.0002233700000000 ] - [ 0.0012908100000000, 0.0000000000000000, -0.0001872800000000 ] - [ -0.0068992500000000, -0.0009368600000000, 0.0031380000000000 ] - [ -0.0068992500000000, 0.0009368600000000, 0.0031380000000000 ] - [ -0.0075150600000000, 0.0000000000000000, 0.0035576100000000 ] - [ -0.0025771400000000, 0.0000000000000000, 0.0009560000000000 ] - [ -0.0012402700000000, 0.0015636100000000, -0.0014077400000000 ] - [ -0.0012402700000000, -0.0015636100000000, -0.0014077400000000 ] - [ 0.0026756200000000, 0.0002047400000000, -0.0009371000000000 ] - [ 0.0026756200000000, -0.0002047400000000, -0.0009371000000000 ] - [ 0.0009295700000000, -0.0008148900000000, -0.0003342900000000 ] - [ 0.0004228400000000, 0.0007017700000000, 0.0005774900000000 ] - [ -0.0023794900000000, -0.0004507100000000, -0.0059323900000000 ] - [ -0.0027872700000000, 0.0031066900000000, -0.0025232600000000 ] - [ -0.0023794900000000, 0.0004507100000000, -0.0059323900000000 ] - [ -0.0027872700000000, -0.0031066900000000, -0.0025232600000000 ] - [ 0.0009295700000000, 0.0008148900000000, -0.0003342900000000 ] - [ 0.0004228400000000, -0.0007017700000000, 0.0005774900000000 ] - [ -0.0030831100000000, 0.0011777900000000, -0.0031678500000000 ] - [ -0.0017827200000000, 0.0020150400000000, -0.0016222100000000 ] - [ 0.0013366500000000, 0.0001964000000000, 0.0006604300000000 ] - [ 0.0008696400000000, 0.0006157000000000, 0.0004666500000000 ] - [ 0.0013366500000000, -0.0001964000000000, 0.0006604300000000 ] - [ 0.0008696400000000, -0.0006157000000000, 0.0004666500000000 ] - [ -0.0070887200000000, 0.0000478300000000, -0.0013888400000000 ] - [ -0.0070887200000000, -0.0000478300000000, -0.0013888400000000 ] - [ 0.0049887100000000, 0.0000000000000000, -0.0013526000000000 ] - [ 0.0001765700000000, 0.0000000000000000, -0.0001474300000000 ] - [ -0.0024284800000000, 0.0033877900000000, 0.0049877000000000 ] - [ -0.0005631200000000, -0.0021843900000000, 0.0000805700000000 ] - [ -0.0039324400000000, -0.0005025600000000, -0.0015855400000000 ] - [ -0.0010537700000000, 0.0001611300000000, -0.0002543600000000 ] - [ -0.0039324400000000, 0.0005025600000000, -0.0015855400000000 ] - [ -0.0010537700000000, -0.0001611300000000, -0.0002543600000000 ] - [ -0.0024284800000000, -0.0033877900000000, 0.0049877000000000 ] - [ -0.0005631200000000, 0.0021843900000000, 0.0000805700000000 ] - [ -0.0030831100000000, -0.0011777900000000, -0.0031678500000000 ] - [ -0.0017827200000000, -0.0020150400000000, -0.0016222100000000 ] - [ 0.0010138600000000, -0.0017757300000000, 0.0022405900000000 ] - [ 0.0001088300000000, 0.0005864900000000, -0.0003722500000000 ] - [ 0.0010138600000000, 0.0017757300000000, 0.0022405900000000 ] - [ 0.0001088300000000, -0.0005864900000000, -0.0003722500000000 ] - [ 0.0019600400000000, -0.0007707900000000, -0.0012443400000000 ] - [ 0.0019600400000000, 0.0007707900000000, -0.0012443400000000 ] - [ 0.0041227600000000, 0.0000000000000000, -0.0015052000000000 ] - [ 0.0024959400000000, 0.0000000000000000, -0.0008658400000000 ] - [ 0.0029335400000000, -0.0000458600000000, 0.0000389200000000 ] - [ 0.0029335400000000, 0.0000458600000000, 0.0000389200000000 ] - [ 0.0022605200000000, 0.0000000000000000, -0.0001989400000000 ] - [ 0.0014754600000000, 0.0000000000000000, -0.0003028000000000 ] - [ -0.0017661300000000, 0.0000000000000000, 0.0003397400000000 ] - [ -0.0021270600000000, 0.0000000000000000, 0.0007701500000000 ] - [ 0.0012071900000000, 0.0000054300000000, 0.0024631600000000 ] - [ 0.0009993600000000, 0.0021860300000000, 0.0017706100000000 ] - [ 0.0014902300000000, -0.0012793400000000, 0.0009771100000000 ] - [ 0.0010696400000000, -0.0006100100000000, 0.0004657600000000 ] - [ 0.0014902300000000, 0.0012793400000000, 0.0009771100000000 ] - [ 0.0010696400000000, 0.0006100100000000, 0.0004657600000000 ] - [ 0.0012071900000000, -0.0000054300000000, 0.0024631600000000 ] - [ 0.0009993600000000, -0.0021860300000000, 0.0017706100000000 ] - [ 0.0008779200000000, -0.0006779400000000, 0.0009194500000000 ] - [ 0.0008038600000000, -0.0007570100000000, 0.0009311200000000 ] - [ -0.0053345900000000, -0.0040878300000000, -0.0004048900000000 ] - [ -0.0008257200000000, 0.0036890800000000, -0.0001426600000000 ] - [ -0.0053345900000000, 0.0040878300000000, -0.0004048900000000 ] - [ -0.0008257200000000, -0.0036890800000000, -0.0001426600000000 ] - [ 0.0018578600000000, 0.0000000000000000, 0.0003665200000000 ] - [ 0.0012719300000000, 0.0000000000000000, 0.0001997500000000 ] - [ 0.0016541600000000, -0.0006098800000000, 0.0011498800000000 ] - [ 0.0016541600000000, 0.0006098800000000, 0.0011498800000000 ] - [ 0.0012922700000000, -0.0003917500000000, -0.0003597900000000 ] - [ 0.0009327500000000, -0.0005707100000000, -0.0000563100000000 ] - [ 0.0009833300000000, 0.0000426000000000, 0.0002690100000000 ] - [ 0.0008589600000000, 0.0002805900000000, 0.0000992200000000 ] - [ 0.0009833300000000, -0.0000426000000000, 0.0002690100000000 ] - [ 0.0008589600000000, -0.0002805900000000, 0.0000992200000000 ] - [ 0.0012922700000000, 0.0003917500000000, -0.0003597900000000 ] - [ 0.0009327500000000, 0.0005707100000000, -0.0000563100000000 ] - [ 0.0008779200000000, 0.0006779400000000, 0.0009194500000000 ] - [ 0.0008038600000000, 0.0007570100000000, 0.0009311200000000 ] - [ 0.0008724100000000, -0.0004688700000000, 0.0006090300000000 ] - [ 0.0005513800000000, 0.0001695200000000, 0.0000039000000000 ] - [ 0.0008724100000000, 0.0004688700000000, 0.0006090300000000 ] - [ 0.0005513800000000, -0.0001695200000000, 0.0000039000000000 ] - [ -0.0076078300000000, 0.0000000000000000, 0.0116480100000000 ] - [ 0.0011101900000000, 0.0000000000000000, -0.0001599300000000 ] - [ 0.0066348600000000, -0.0086165400000000, -0.0032884600000000 ] - [ 0.0066348600000000, 0.0086165400000000, -0.0032884600000000 ] - [ -0.0015413200000000, 0.0001877800000000, -0.0010318000000000 ] - [ -0.0015413200000000, -0.0001877800000000, -0.0010318000000000 ] - [ -0.0028221500000000, 0.0000000000000000, 0.0000775500000000 ] - [ -0.0021583400000000, 0.0000000000000000, 0.0000726900000000 ] - [ 0.0469838300000000, 0.0000000000000000, -0.0060460700000000 ] - [ 0.0026474200000000, 0.0000000000000000, 0.0000278400000000 ] - [ -0.0027261100000000, -0.0032180000000000, 0.0008539300000000 ] - [ -0.0027261100000000, 0.0032180000000000, 0.0008539300000000 ] - [ -0.0017608800000000, -0.0001081600000000, -0.0001992800000000 ] - [ -0.0017608800000000, 0.0001081600000000, -0.0001992800000000 ] - [ -0.0062666800000000, 0.0000000000000000, -0.0006662700000000 ] - [ -0.0008419100000000, 0.0000000000000000, 0.0002668800000000 ] - [ -0.0021846700000000, -0.0025013300000000, 0.0000938300000000 ] - [ -0.0021846700000000, 0.0025013300000000, 0.0000938300000000 ] - [ 0.0124236500000000, 0.0000000000000000, 0.0114237500000000 ] - [ 0.0054806800000000, 0.0000000000000000, 0.0027747800000000 ] - [ -0.0072871900000000, 0.0000000000000000, 0.0005279000000000 ] - [ -0.0030015000000000, 0.0000000000000000, -0.0006451200000000 ] - [ 0.0028476600000000, 0.0157931500000000, 0.0094817500000000 ] - [ 0.0028476600000000, -0.0157931500000000, 0.0094817500000000 ] - [ 0.0087729500000000, -0.0053266200000000, 0.0036952000000000 ] - [ 0.0087729500000000, 0.0053266200000000, 0.0036952000000000 ] - [ -0.0050955700000000, 0.0000000000000000, -0.0113373700000000 ] - [ 0.0004279500000000, 0.0000000000000000, -0.0003653200000000 ] - [ -0.0020107200000000, 0.0000000000000000, -0.0032972100000000 ] - [ -0.0001998800000000, 0.0000000000000000, -0.0018922200000000 ] - [ -0.0045657700000000, -0.0004315600000000, -0.0010004000000000 ] - [ -0.0045657700000000, 0.0004315600000000, -0.0010004000000000 ] - [ -0.0013378400000000, 0.0103044500000000, -0.0095764800000000 ] - [ -0.0013378400000000, -0.0103044500000000, -0.0095764800000000 ] - [ -0.0049280400000000, 0.0000000000000000, -0.0010218000000000 ] - [ -0.0022450800000000, 0.0000000000000000, -0.0006900700000000 ] - [ -0.0046951300000000, 0.0000000000000000, -0.0009662000000000 ] - [ -0.0034342300000000, 0.0000000000000000, -0.0011882800000000 ] - [ -0.0035910300000000, 0.0007150000000000, 0.0008820100000000 ] - [ -0.0035910300000000, -0.0007150000000000, 0.0008820100000000 ]- atom: 93 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001001100000000, 0.0013804300000000, 0.0000950100000000 ] - [ -0.0000928000000000, -0.0008456300000000, 0.0000929400000000 ] - [ -0.0003931200000000, -0.0024394900000000, 0.0034349200000000 ] - [ 0.0005862500000000, -0.0024486500000000, -0.0036563700000000 ] - [ 0.0003663300000000, 0.0045589900000000, 0.0003309600000000 ] - [ 0.0003750200000000, -0.0023581200000000, 0.0003525700000000 ] - [ -0.0025887300000000, -0.0004075000000000, 0.0003173400000000 ] - [ 0.0018271200000000, -0.0003907900000000, -0.0010061100000000 ] - [ -0.0004789300000000, -0.0000087200000000, 0.0001521700000000 ] - [ 0.0004766200000000, -0.0000071100000000, -0.0001503700000000 ] - [ 0.0000548800000000, 0.0004972300000000, 0.0004448900000000 ] - [ -0.0005349500000000, -0.0008219900000000, -0.0003150600000000 ] - [ 0.0010846400000000, 0.0047200900000000, -0.0066165500000000 ] - [ 0.0002118400000000, -0.0057252800000000, 0.0039451300000000 ] - [ -0.0006839000000000, 0.0052131900000000, 0.0065966500000000 ] - [ 0.0001656900000000, -0.0052984900000000, -0.0039632000000000 ] - [ -0.0004414500000000, 0.0009185600000000, -0.0004185100000000 ] - [ 0.0001500100000000, -0.0003917700000000, 0.0003348400000000 ] - [ -0.0004298700000000, 0.0021594300000000, -0.0017656100000000 ] - [ 0.0002717200000000, -0.0030049200000000, 0.0020444300000000 ] - [ 0.0002080700000000, 0.0007888500000000, -0.0000399400000000 ] - [ -0.0002735200000000, -0.0002436000000000, -0.0000009700000000 ] - [ -0.0002102100000000, 0.0001997700000000, 0.0000370400000000 ] - [ 0.0002743500000000, -0.0008295800000000, 0.0000006100000000 ] - [ -0.0002976400000000, -0.0002003000000000, -0.0053120400000000 ] - [ 0.0001998400000000, 0.0001944400000000, 0.0048905100000000 ] - [ 0.0000458900000000, 0.0017457900000000, 0.0001823200000000 ] - [ 0.0000589200000000, -0.0007834700000000, 0.0001816000000000 ] - [ -0.0024191200000000, 0.0029579300000000, -0.0038355500000000 ] - [ 0.0028027600000000, -0.0045661300000000, 0.0005661400000000 ] - [ 0.0000184600000000, 0.0059530300000000, -0.0006154000000000 ] - [ -0.0010603900000000, -0.0021299700000000, 0.0006388200000000 ] - [ -0.0003683800000000, 0.0063201200000000, 0.0008222200000000 ] - [ 0.0008307500000000, -0.0016717400000000, -0.0005819400000000 ] - [ 0.0026175900000000, 0.0034995300000000, 0.0037364500000000 ] - [ -0.0025546400000000, -0.0040996700000000, -0.0006261100000000 ] - [ 0.0002884400000000, 0.0024742900000000, 0.0022113800000000 ] - [ -0.0004120500000000, -0.0026629900000000, -0.0015853200000000 ] - [ 0.0005024400000000, 0.0023882400000000, 0.0000397200000000 ] - [ -0.0002765300000000, -0.0015378200000000, -0.0000040600000000 ] - [ -0.0003617000000000, 0.0020478100000000, -0.0004932100000000 ] - [ 0.0004242400000000, -0.0018600000000000, -0.0004348700000000 ] - [ 0.0049419300000000, -0.0004913700000000, -0.0021531600000000 ] - [ -0.0051518500000000, -0.0004884200000000, 0.0023450900000000 ] - [ 0.0000946500000000, 0.0001943000000000, -0.0000921600000000 ] - [ 0.0000984800000000, -0.0001978500000000, -0.0000936500000000 ] - [ 0.0012075900000000, -0.0000092600000000, 0.0003673400000000 ] - [ -0.0004566400000000, -0.0000085500000000, 0.0003327000000000 ] - [ -0.0003762200000000, 0.0006470700000000, -0.0003502300000000 ] - [ -0.0003770200000000, -0.0006373500000000, -0.0003497800000000 ] - [ 0.0000060100000000, 0.0014346100000000, -0.0000006800000000 ] - [ -0.0000016600000000, -0.0009869200000000, 0.0000011900000000 ] - [ 0.0015644700000000, 0.0026773100000000, 0.0029741000000000 ] - [ -0.0019749100000000, -0.0038231100000000, -0.0025410700000000 ] - [ 0.0001000100000000, 0.0000829400000000, -0.0001763500000000 ] - [ 0.0002764200000000, -0.0004930800000000, 0.0001413900000000 ] - [ 0.0002833600000000, 0.0005085100000000, 0.0001540400000000 ] - [ 0.0001089700000000, -0.0000643800000000, -0.0001613200000000 ] - [ -0.0019485100000000, 0.0031130000000000, -0.0029562700000000 ] - [ 0.0015887900000000, -0.0033969400000000, 0.0025612100000000 ] - [ -0.0000859800000000, 0.0001682900000000, 0.0000913100000000 ] - [ -0.0000504500000000, -0.0004990300000000, 0.0003553900000000 ] - [ 0.0002191300000000, 0.0008524600000000, 0.0007835000000000 ] - [ -0.0011727600000000, -0.0026282300000000, -0.0008851500000000 ] - [ -0.0000529500000000, 0.0004167100000000, -0.0007771300000000 ] - [ 0.0011579400000000, -0.0032253500000000, 0.0008853800000000 ] - [ -0.0000577200000000, 0.0002065200000000, -0.0001816800000000 ] - [ -0.0000568600000000, -0.0001971700000000, -0.0001820000000000 ] - [ 0.0019138000000000, -0.0002339200000000, 0.0009697700000000 ] - [ -0.0018008000000000, -0.0002317000000000, -0.0006071400000000 ] - [ -0.0003188000000000, 0.0003009800000000, -0.0000535600000000 ] - [ 0.0005287800000000, -0.0007431500000000, -0.0000210700000000 ] - [ 0.0001388700000000, 0.0002421500000000, 0.0000367600000000 ] - [ -0.0004700700000000, -0.0007142200000000, -0.0000218900000000 ] - [ -0.0003749800000000, 0.0007006500000000, 0.0000293900000000 ] - [ 0.0002352900000000, -0.0002578100000000, 0.0000878300000000 ] - [ 0.0005535500000000, 0.0007574700000000, -0.0000130900000000 ] - [ -0.0002939800000000, -0.0002849000000000, -0.0000454400000000 ] - [ -0.0000558300000000, 0.0004989600000000, 0.0003607400000000 ] - [ -0.0000918700000000, -0.0001702200000000, 0.0000952000000000 ] - [ 0.0001250800000000, 0.0010265500000000, -0.0006855800000000 ] - [ 0.0000725900000000, -0.0007973200000000, 0.0003508400000000 ] - [ 0.0000186000000000, 0.0007002500000000, 0.0002373800000000 ] - [ 0.0000685200000000, -0.0011283300000000, -0.0008024700000000 ] - [ 0.0005558200000000, -0.0104466700000000, -0.0003912800000000 ] - [ 0.0005222900000000, 0.0027275800000000, -0.0003583000000000 ] - [ 0.0079998600000000, 0.0091447200000000, 0.0129664400000000 ] - [ -0.0091463600000000, 0.0092046400000000, -0.0123840600000000 ] - [ -0.0007205800000000, -0.0000798600000000, -0.0008630200000000 ] - [ 0.0017720100000000, -0.0000810900000000, 0.0001441400000000 ] - [ -0.0005248100000000, -0.0008108600000000, 0.0003600200000000 ] - [ -0.0005249500000000, 0.0007780900000000, 0.0003598000000000 ] - [ -0.0003642600000000, -0.0483936000000000, -0.0000231800000000 ] - [ -0.0002559800000000, 0.0066655600000000, -0.0001981300000000 ] - [ 0.0034599700000000, 0.0011409400000000, -0.0009431900000000 ] - [ -0.0029556900000000, 0.0011309900000000, 0.0013473800000000 ] - [ -0.0003652100000000, -0.0000033500000000, -0.0001667000000000 ] - [ -0.0001505700000000, -0.0000044800000000, -0.0002288400000000 ] - [ 0.0002514800000000, -0.0030774200000000, 0.0001975300000000 ] - [ 0.0002593300000000, 0.0017380400000000, 0.0001984100000000 ] - [ 0.0021938300000000, 0.0000999100000000, 0.0006961700000000 ] - [ -0.0014906300000000, 0.0000844400000000, -0.0000267700000000 ] - [ -0.0003686000000000, -0.0149977800000000, -0.0003175900000000 ] - [ -0.0003463700000000, 0.0089288600000000, -0.0003477500000000 ] - [ -0.0004734000000000, -0.0011830500000000, -0.0001540900000000 ] - [ -0.0004833900000000, 0.0012677600000000, -0.0001513600000000 ] - [ -0.0127540700000000, 0.0124783700000000, 0.0105327000000000 ] - [ 0.0138618700000000, 0.0125247600000000, -0.0103052700000000 ] - [ 0.0040747300000000, 0.0036848300000000, -0.0062644000000000 ] - [ -0.0042999400000000, 0.0036339700000000, 0.0051928600000000 ] - [ 0.0001288400000000, -0.0125891100000000, 0.0005523100000000 ] - [ 0.0000900700000000, 0.0072390600000000, 0.0005296300000000 ] - [ 0.0003417400000000, -0.0051562200000000, 0.0003390100000000 ] - [ 0.0003505500000000, 0.0046977200000000, 0.0003408500000000 ] - [ -0.0003650800000000, -0.0000027200000000, -0.0003855900000000 ] - [ -0.0003296400000000, -0.0000053800000000, -0.0002958700000000 ] - [ -0.0090207900000000, 0.0066527400000000, -0.0087171000000000 ] - [ 0.0081110900000000, 0.0066454900000000, 0.0084237900000000 ] - [ 0.0004853300000000, -0.0007941600000000, 0.0001540700000000 ] - [ 0.0004787100000000, 0.0007947500000000, 0.0001534200000000 ] - [ -0.0000943800000000, -0.0009391100000000, -0.0005399300000000 ] - [ -0.0000956100000000, 0.0009957900000000, -0.0005392500000000 ] - [ -0.0030939200000000, 0.0001023800000000, 0.0017581500000000 ] - [ 0.0032899500000000, 0.0000993400000000, -0.0006821400000000 ]- atom: 93 displacement: [ -0.0011848924261905, 0.0000000000000000, 0.0099295533604667 ] forces: - [ -0.0034892400000000, 0.0000000000000000, 0.0017199800000000 ] - [ -0.0009009600000000, 0.0000000000000000, 0.0002733200000000 ] - [ -0.0025949600000000, 0.0028695500000000, -0.0007836400000000 ] - [ -0.0025949600000000, -0.0028695500000000, -0.0007836400000000 ] - [ -0.0039575900000000, 0.0000000000000000, -0.0052850500000000 ] - [ 0.0005387900000000, 0.0000000000000000, -0.0004390800000000 ] - [ 0.0019268600000000, 0.0016579500000000, -0.0025143600000000 ] - [ 0.0019268600000000, -0.0016579500000000, -0.0025143600000000 ] - [ 0.0003176400000000, -0.0000294100000000, -0.0004901800000000 ] - [ 0.0003176400000000, 0.0000294100000000, -0.0004901800000000 ] - [ 0.0005144000000000, -0.0010412200000000, -0.0009370600000000 ] - [ 0.0000586600000000, -0.0002438600000000, -0.0002935500000000 ] - [ 0.0033925400000000, -0.0044094400000000, -0.0026685700000000 ] - [ 0.0000602400000000, 0.0014983600000000, -0.0012901400000000 ] - [ 0.0033925400000000, 0.0044094400000000, -0.0026685700000000 ] - [ 0.0000602400000000, -0.0014983600000000, -0.0012901400000000 ] - [ 0.0005144000000000, 0.0010412200000000, -0.0009370600000000 ] - [ 0.0000586600000000, 0.0002438600000000, -0.0002935500000000 ] - [ -0.0015891900000000, 0.0030105700000000, -0.0062908400000000 ] - [ -0.0007692600000000, 0.0025483300000000, -0.0025667000000000 ] - [ 0.0005676500000000, 0.0002689500000000, 0.0009551600000000 ] - [ 0.0002531200000000, 0.0004580100000000, 0.0002747200000000 ] - [ 0.0005676500000000, -0.0002689500000000, 0.0009551600000000 ] - [ 0.0002531200000000, -0.0004580100000000, 0.0002747200000000 ] - [ -0.0002904200000000, -0.0006297500000000, 0.0015971900000000 ] - [ -0.0002904200000000, 0.0006297500000000, 0.0015971900000000 ] - [ 0.0049865600000000, 0.0000000000000000, 0.0015502500000000 ] - [ 0.0004933000000000, 0.0000000000000000, 0.0004662000000000 ] - [ -0.0007348900000000, -0.0014544800000000, 0.0014055100000000 ] - [ -0.0009534100000000, 0.0013092700000000, 0.0003002300000000 ] - [ -0.0013395700000000, 0.0003664400000000, 0.0012290300000000 ] - [ 0.0000422200000000, 0.0006198800000000, 0.0001074900000000 ] - [ -0.0013395700000000, -0.0003664400000000, 0.0012290300000000 ] - [ 0.0000422200000000, -0.0006198800000000, 0.0001074900000000 ] - [ -0.0007348900000000, 0.0014544800000000, 0.0014055100000000 ] - [ -0.0009534100000000, -0.0013092700000000, 0.0003002300000000 ] - [ -0.0015891900000000, -0.0030105700000000, -0.0062908400000000 ] - [ -0.0007692600000000, -0.0025483300000000, -0.0025667000000000 ] - [ -0.0013721000000000, 0.0026881500000000, -0.0030839200000000 ] - [ -0.0002304100000000, 0.0008020900000000, -0.0014752900000000 ] - [ -0.0013721000000000, -0.0026881500000000, -0.0030839200000000 ] - [ -0.0002304100000000, -0.0008020900000000, -0.0014752900000000 ] - [ 0.0021588900000000, -0.0004148900000000, -0.0001731100000000 ] - [ 0.0021588900000000, 0.0004148900000000, -0.0001731100000000 ] - [ 0.0014653400000000, 0.0000000000000000, -0.0005388500000000 ] - [ 0.0004157500000000, 0.0000000000000000, -0.0001976200000000 ] - [ 0.0008616100000000, -0.0000067700000000, 0.0002690200000000 ] - [ 0.0008616100000000, 0.0000067700000000, 0.0002690200000000 ] - [ -0.0001858000000000, 0.0000000000000000, -0.0006165800000000 ] - [ -0.0004116900000000, 0.0000000000000000, -0.0004458400000000 ] - [ 0.0040504500000000, 0.0000000000000000, -0.0036547800000000 ] - [ 0.0002323100000000, 0.0000000000000000, -0.0005952500000000 ] - [ -0.0013063200000000, -0.0003403500000000, -0.0010321000000000 ] - [ -0.0005480900000000, -0.0007436100000000, -0.0003041900000000 ] - [ 0.0001236800000000, -0.0000872100000000, -0.0000515100000000 ] - [ 0.0002205900000000, -0.0001962000000000, -0.0000220900000000 ] - [ 0.0001236800000000, 0.0000872100000000, -0.0000515100000000 ] - [ 0.0002205900000000, 0.0001962000000000, -0.0000220900000000 ] - [ -0.0013063200000000, 0.0003403500000000, -0.0010321000000000 ] - [ -0.0005480900000000, 0.0007436100000000, -0.0003041900000000 ] - [ -0.0000729300000000, -0.0000033200000000, 0.0000226500000000 ] - [ -0.0000862000000000, -0.0000734100000000, 0.0000957100000000 ] - [ 0.0002662700000000, 0.0007309100000000, 0.0052807300000000 ] - [ 0.0003782700000000, 0.0004991800000000, 0.0025206400000000 ] - [ 0.0002662700000000, -0.0007309100000000, 0.0052807300000000 ] - [ 0.0003782700000000, -0.0004991800000000, 0.0025206400000000 ] - [ -0.0000358200000000, 0.0000000000000000, 0.0000000800000000 ] - [ 0.0000989600000000, 0.0000000000000000, -0.0000660900000000 ] - [ -0.0002427200000000, 0.0000730000000000, 0.0004240500000000 ] - [ -0.0002427200000000, -0.0000730000000000, 0.0004240500000000 ] - [ 0.0003038000000000, -0.0002935300000000, -0.0000135900000000 ] - [ 0.0003269700000000, -0.0003403600000000, -0.0000267400000000 ] - [ -0.0000555700000000, -0.0002195500000000, 0.0000573000000000 ] - [ -0.0001209000000000, -0.0002982400000000, 0.0000625400000000 ] - [ -0.0000555700000000, 0.0002195500000000, 0.0000573000000000 ] - [ -0.0001209000000000, 0.0002982400000000, 0.0000625400000000 ] - [ 0.0003038000000000, 0.0002935300000000, -0.0000135900000000 ] - [ 0.0003269700000000, 0.0003403600000000, -0.0000267400000000 ] - [ -0.0000729300000000, 0.0000033200000000, 0.0000226500000000 ] - [ -0.0000862000000000, 0.0000734100000000, 0.0000957100000000 ] - [ 0.0001882200000000, 0.0004199800000000, -0.0007597900000000 ] - [ 0.0000308400000000, 0.0005021800000000, -0.0006351000000000 ] - [ 0.0001882200000000, -0.0004199800000000, -0.0007597900000000 ] - [ 0.0000308400000000, -0.0005021800000000, -0.0006351000000000 ] - [ -0.0144792700000000, 0.0000000000000000, 0.0110897400000000 ] - [ -0.0001924700000000, 0.0000000000000000, -0.0004567200000000 ] - [ 0.0030907700000000, 0.0087640800000000, 0.0039658400000000 ] - [ 0.0030907700000000, -0.0087640800000000, 0.0039658400000000 ] - [ 0.0007471300000000, -0.0001048500000000, -0.0003294700000000 ] - [ 0.0007471300000000, 0.0001048500000000, -0.0003294700000000 ] - [ -0.0007427000000000, 0.0000000000000000, 0.0003850300000000 ] - [ -0.0007142800000000, 0.0000000000000000, 0.0003702100000000 ] - [ 0.0114068600000000, 0.0000000000000000, -0.0382463200000000 ] - [ -0.0001367100000000, 0.0000000000000000, -0.0015557700000000 ] - [ -0.0007417700000000, -0.0015183100000000, -0.0018098800000000 ] - [ -0.0007417700000000, 0.0015183100000000, -0.0018098800000000 ] - [ -0.0004368700000000, -0.0000438000000000, -0.0003704400000000 ] - [ -0.0004368700000000, 0.0000438000000000, -0.0003704400000000 ] - [ 0.0003345100000000, 0.0000000000000000, -0.0008505700000000 ] - [ 0.0000578700000000, 0.0000000000000000, -0.0001225400000000 ] - [ -0.0008842000000000, 0.0003629500000000, 0.0045183200000000 ] - [ -0.0008842000000000, -0.0003629500000000, 0.0045183200000000 ] - [ -0.0057337700000000, 0.0000000000000000, 0.0263905900000000 ] - [ 0.0003612400000000, 0.0000000000000000, 0.0047583000000000 ] - [ -0.0046681100000000, 0.0000000000000000, 0.0002102300000000 ] - [ -0.0011503400000000, 0.0000000000000000, -0.0002314300000000 ] - [ -0.0068629200000000, 0.0096001500000000, -0.0054755900000000 ] - [ -0.0068629200000000, -0.0096001500000000, -0.0054755900000000 ] - [ 0.0001625900000000, -0.0070857900000000, 0.0089007300000000 ] - [ 0.0001625900000000, 0.0070857900000000, 0.0089007300000000 ] - [ 0.0139049300000000, 0.0000000000000000, 0.0054915900000000 ] - [ 0.0013277400000000, 0.0000000000000000, 0.0026118900000000 ] - [ -0.0005859500000000, 0.0000000000000000, 0.0045139800000000 ] - [ 0.0005843300000000, 0.0000000000000000, 0.0016533900000000 ] - [ -0.0005878200000000, 0.0000243900000000, 0.0001250000000000 ] - [ -0.0005878200000000, -0.0000243900000000, 0.0001250000000000 ] - [ 0.0049565400000000, -0.0031153300000000, -0.0028284100000000 ] - [ 0.0049565400000000, 0.0031153300000000, -0.0028284100000000 ] - [ 0.0018505200000000, 0.0000000000000000, -0.0016013400000000 ] - [ 0.0007868600000000, 0.0000000000000000, -0.0005028600000000 ] - [ -0.0006378100000000, 0.0000000000000000, -0.0001679700000000 ] - [ -0.0002379200000000, 0.0000000000000000, -0.0003284700000000 ] - [ -0.0014468800000000, 0.0001315400000000, 0.0013235800000000 ] - [ -0.0014468800000000, -0.0001315400000000, 0.0013235800000000 ]- atom: 93 displacement: [ 0.0011848924261905, 0.0000000000000000, -0.0099295533604667 ] forces: - [ 0.0033013100000000, 0.0000000000000000, -0.0015391800000000 ] - [ 0.0007036400000000, 0.0000000000000000, -0.0000811800000000 ] - [ 0.0027505000000000, -0.0028521000000000, 0.0006108100000000 ] - [ 0.0027505000000000, 0.0028521000000000, 0.0006108100000000 ] - [ 0.0047409000000000, 0.0000000000000000, 0.0058597800000000 ] - [ 0.0002144900000000, 0.0000000000000000, 0.0011297500000000 ] - [ -0.0026798700000000, -0.0016579000000000, 0.0018217000000000 ] - [ -0.0026798700000000, 0.0016579000000000, 0.0018217000000000 ] - [ -0.0003116800000000, 0.0000302800000000, 0.0004878500000000 ] - [ -0.0003116800000000, -0.0000302800000000, 0.0004878500000000 ] - [ -0.0008921700000000, 0.0006085900000000, 0.0009554000000000 ] - [ -0.0004386000000000, -0.0001837500000000, 0.0003141600000000 ] - [ -0.0030071100000000, 0.0040118700000000, 0.0025422700000000 ] - [ 0.0003208800000000, -0.0019183800000000, 0.0012541000000000 ] - [ -0.0030071100000000, -0.0040118700000000, 0.0025422700000000 ] - [ 0.0003208800000000, 0.0019183800000000, 0.0012541000000000 ] - [ -0.0008921700000000, -0.0006085900000000, 0.0009554000000000 ] - [ -0.0004386000000000, 0.0001837500000000, 0.0003141600000000 ] - [ 0.0014489000000000, -0.0033631400000000, 0.0067467800000000 ] - [ 0.0006177200000000, -0.0028617800000000, 0.0030083500000000 ] - [ -0.0005643400000000, 0.0003191000000000, -0.0009527600000000 ] - [ -0.0002513300000000, 0.0001315200000000, -0.0002728100000000 ] - [ -0.0005643400000000, -0.0003191000000000, -0.0009527600000000 ] - [ -0.0002513300000000, -0.0001315200000000, -0.0002728100000000 ] - [ 0.0001729800000000, 0.0005952700000000, -0.0020063000000000 ] - [ 0.0001729800000000, -0.0005952700000000, -0.0020063000000000 ] - [ -0.0048502200000000, 0.0000000000000000, -0.0011644800000000 ] - [ -0.0003753000000000, 0.0000000000000000, -0.0000919500000000 ] - [ 0.0009484800000000, 0.0009931200000000, -0.0015155000000000 ] - [ 0.0011855400000000, -0.0017642200000000, -0.0003760500000000 ] - [ 0.0008906400000000, -0.0006528600000000, -0.0009195100000000 ] - [ -0.0002827000000000, -0.0010742400000000, -0.0000308300000000 ] - [ 0.0008906400000000, 0.0006528600000000, -0.0009195100000000 ] - [ -0.0002827000000000, 0.0010742400000000, -0.0000308300000000 ] - [ 0.0009484800000000, -0.0009931200000000, -0.0015155000000000 ] - [ 0.0011855400000000, 0.0017642200000000, -0.0003760500000000 ] - [ 0.0014489000000000, 0.0033631400000000, 0.0067467800000000 ] - [ 0.0006177200000000, 0.0028617800000000, 0.0030083500000000 ] - [ 0.0015229600000000, -0.0023665000000000, 0.0026295200000000 ] - [ 0.0003731100000000, -0.0004682200000000, 0.0010176900000000 ] - [ 0.0015229600000000, 0.0023665000000000, 0.0026295200000000 ] - [ 0.0003731100000000, 0.0004682200000000, 0.0010176900000000 ] - [ -0.0023463100000000, 0.0004163300000000, 0.0003531900000000 ] - [ -0.0023463100000000, -0.0004163300000000, 0.0003531900000000 ] - [ -0.0012618900000000, 0.0000000000000000, 0.0003453800000000 ] - [ -0.0002154400000000, 0.0000000000000000, 0.0000051800000000 ] - [ -0.0001042600000000, 0.0000069000000000, 0.0004253300000000 ] - [ -0.0001042600000000, -0.0000069000000000, 0.0004253300000000 ] - [ -0.0005719700000000, 0.0000000000000000, -0.0000750700000000 ] - [ -0.0003381900000000, 0.0000000000000000, -0.0002486700000000 ] - [ -0.0040858900000000, 0.0000000000000000, 0.0036677400000000 ] - [ -0.0002362800000000, 0.0000000000000000, 0.0005947600000000 ] - [ 0.0009217500000000, -0.0000788400000000, 0.0010666800000000 ] - [ 0.0001696300000000, 0.0003224800000000, 0.0003313800000000 ] - [ 0.0002599400000000, -0.0003442800000000, 0.0000329900000000 ] - [ 0.0001620600000000, -0.0002331500000000, 0.0000020100000000 ] - [ 0.0002599400000000, 0.0003442800000000, 0.0000329900000000 ] - [ 0.0001620600000000, 0.0002331500000000, 0.0000020100000000 ] - [ 0.0009217500000000, 0.0000788400000000, 0.0010666800000000 ] - [ 0.0001696300000000, -0.0003224800000000, 0.0003313800000000 ] - [ -0.0000703400000000, -0.0003264300000000, 0.0004307700000000 ] - [ -0.0000567700000000, -0.0002572000000000, 0.0003578900000000 ] - [ -0.0002513500000000, -0.0001960600000000, -0.0052850000000000 ] - [ -0.0003776500000000, 0.0001043300000000, -0.0025242300000000 ] - [ -0.0002513500000000, 0.0001960600000000, -0.0052850000000000 ] - [ -0.0003776500000000, -0.0001043300000000, -0.0025242300000000 ] - [ -0.0000763000000000, 0.0000000000000000, -0.0003720000000000 ] - [ -0.0002133200000000, 0.0000000000000000, -0.0003068700000000 ] - [ 0.0003642500000000, -0.0000753900000000, -0.0000457800000000 ] - [ 0.0003642500000000, 0.0000753900000000, -0.0000457800000000 ] - [ -0.0000602400000000, -0.0001679400000000, -0.0000616000000000 ] - [ -0.0000848600000000, -0.0001207100000000, -0.0000466500000000 ] - [ -0.0001825300000000, -0.0002407000000000, 0.0000166600000000 ] - [ -0.0001175500000000, -0.0001620400000000, 0.0000111500000000 ] - [ -0.0001825300000000, 0.0002407000000000, 0.0000166600000000 ] - [ -0.0001175500000000, 0.0001620400000000, 0.0000111500000000 ] - [ -0.0000602400000000, 0.0001679400000000, -0.0000616000000000 ] - [ -0.0000848600000000, 0.0001207100000000, -0.0000466500000000 ] - [ -0.0000703400000000, 0.0003264300000000, 0.0004307700000000 ] - [ -0.0000567700000000, 0.0002572000000000, 0.0003578900000000 ] - [ -0.0000465600000000, -0.0000865100000000, 0.0003052400000000 ] - [ 0.0001153200000000, -0.0001741300000000, 0.0001841900000000 ] - [ -0.0000465600000000, 0.0000865100000000, 0.0003052400000000 ] - [ 0.0001153200000000, 0.0001741300000000, 0.0001841900000000 ] - [ 0.0153646700000000, 0.0000000000000000, -0.0117137200000000 ] - [ 0.0012438400000000, 0.0000000000000000, -0.0002676200000000 ] - [ -0.0041570000000000, -0.0088154800000000, -0.0031998100000000 ] - [ -0.0041570000000000, 0.0088154800000000, -0.0031998100000000 ] - [ 0.0003050200000000, 0.0001033300000000, -0.0003980500000000 ] - [ 0.0003050200000000, -0.0001033300000000, -0.0003980500000000 ] - [ -0.0003165800000000, 0.0000000000000000, 0.0003398500000000 ] - [ -0.0003441600000000, 0.0000000000000000, 0.0003533500000000 ] - [ -0.0113091200000000, 0.0000000000000000, 0.0377638800000000 ] - [ -0.0003832400000000, 0.0000000000000000, 0.0011603900000000 ] - [ 0.0012685000000000, 0.0015162000000000, 0.0021890600000000 ] - [ 0.0012685000000000, -0.0015162000000000, 0.0021890600000000 ] - [ -0.0000905900000000, 0.0000433000000000, -0.0000180600000000 ] - [ -0.0000905900000000, -0.0000433000000000, -0.0000180600000000 ] - [ 0.0001643800000000, 0.0000000000000000, 0.0012365400000000 ] - [ 0.0004622800000000, 0.0000000000000000, 0.0005118200000000 ] - [ 0.0015874400000000, -0.0003743600000000, -0.0038312500000000 ] - [ 0.0015874400000000, 0.0003743600000000, -0.0038312500000000 ] - [ 0.0051224100000000, 0.0000000000000000, -0.0272823800000000 ] - [ -0.0010605300000000, 0.0000000000000000, -0.0054137200000000 ] - [ 0.0036907200000000, 0.0000000000000000, -0.0005273800000000 ] - [ 0.0001865200000000, 0.0000000000000000, -0.0000882500000000 ] - [ 0.0078267700000000, -0.0096168900000000, 0.0059228500000000 ] - [ 0.0078267700000000, 0.0096168900000000, 0.0059228500000000 ] - [ -0.0003689400000000, 0.0070252500000000, -0.0099836500000000 ] - [ -0.0003689400000000, -0.0070252500000000, -0.0099836500000000 ] - [ -0.0138002700000000, 0.0000000000000000, -0.0043768600000000 ] - [ -0.0011149100000000, 0.0000000000000000, -0.0015124200000000 ] - [ 0.0013281600000000, 0.0000000000000000, -0.0038488700000000 ] - [ 0.0001246100000000, 0.0000000000000000, -0.0009791500000000 ] - [ -0.0001293000000000, -0.0000261100000000, -0.0008068500000000 ] - [ -0.0001293000000000, 0.0000261100000000, -0.0008068500000000 ] - [ -0.0058973000000000, 0.0031515400000000, 0.0024249300000000 ] - [ -0.0058973000000000, -0.0031515400000000, 0.0024249300000000 ] - [ -0.0008988900000000, 0.0000000000000000, 0.0019147300000000 ] - [ 0.0001704300000000, 0.0000000000000000, 0.0008177600000000 ] - [ 0.0004249200000000, 0.0000000000000000, -0.0009252300000000 ] - [ 0.0000240400000000, 0.0000000000000000, -0.0007638900000000 ] - [ 0.0016495700000000, -0.0001354500000000, -0.0002292400000000 ] - [ 0.0016495700000000, 0.0001354500000000, -0.0002292400000000 ]- atom: 101 displacement: [ 0.0099999983100469, 0.0000000000000000, 0.0000058136957938 ] forces: - [ 0.0181714400000000, 0.0000657900000000, -0.0068377800000000 ] - [ 0.0181714400000000, -0.0000657900000000, -0.0068377800000000 ] - [ -0.0225667400000000, 0.0000000000000000, 0.0116701700000000 ] - [ -0.0055536600000000, 0.0000000000000000, 0.0014001700000000 ] - [ -0.0015431300000000, -0.0026059700000000, -0.0010585500000000 ] - [ -0.0015431300000000, 0.0026059700000000, -0.0010585500000000 ] - [ 0.0241105000000000, 0.0000000000000000, -0.0090302700000000 ] - [ 0.0055621700000000, 0.0000000000000000, -0.0010572800000000 ] - [ 0.0674376300000000, 0.0000000000000000, -0.0209908300000000 ] - [ 0.0082404500000000, 0.0000000000000000, -0.0021663900000000 ] - [ 0.0058901200000000, 0.0071551000000000, 0.0056867500000000 ] - [ 0.0192433700000000, 0.0028815500000000, 0.0038284200000000 ] - [ -0.0027615000000000, 0.0012690900000000, -0.0026937400000000 ] - [ -0.0025680100000000, 0.0035868900000000, -0.0033197500000000 ] - [ -0.0025680100000000, -0.0035868900000000, -0.0033197500000000 ] - [ -0.0027615000000000, -0.0012690900000000, -0.0026937400000000 ] - [ 0.0192433700000000, -0.0028815500000000, 0.0038284200000000 ] - [ 0.0058901200000000, -0.0071551000000000, 0.0056867500000000 ] - [ -0.0006520600000000, -0.0021965100000000, 0.0006087600000000 ] - [ -0.0106146600000000, 0.0153396300000000, -0.0109119800000000 ] - [ 0.0027240800000000, 0.0033147100000000, -0.0008370800000000 ] - [ 0.0028499800000000, -0.0006629800000000, -0.0012066100000000 ] - [ 0.0028499800000000, 0.0006629800000000, -0.0012066100000000 ] - [ 0.0027240800000000, -0.0033147100000000, -0.0008370800000000 ] - [ -0.0034682600000000, 0.0000000000000000, -0.0016962900000000 ] - [ -0.0014224300000000, 0.0000000000000000, -0.0004059300000000 ] - [ 0.0108596300000000, 0.0011843900000000, 0.0013971900000000 ] - [ 0.0108596300000000, -0.0011843900000000, 0.0013971900000000 ] - [ 0.0009652600000000, -0.0012752200000000, -0.0029887300000000 ] - [ 0.0015111700000000, 0.0014048800000000, -0.0016876700000000 ] - [ -0.0006205200000000, -0.0034398100000000, 0.0015522100000000 ] - [ -0.0035641000000000, 0.0117067000000000, 0.0081028300000000 ] - [ -0.0035641000000000, -0.0117067000000000, 0.0081028300000000 ] - [ -0.0006205200000000, 0.0034398100000000, 0.0015522100000000 ] - [ 0.0015111700000000, -0.0014048800000000, -0.0016876700000000 ] - [ 0.0009652600000000, 0.0012752200000000, -0.0029887300000000 ] - [ -0.0106146600000000, -0.0153396300000000, -0.0109119800000000 ] - [ -0.0006520600000000, 0.0021965100000000, 0.0006087600000000 ] - [ 0.0045375000000000, -0.0081323600000000, 0.0052257300000000 ] - [ 0.0200673800000000, -0.0090798500000000, 0.0091354400000000 ] - [ 0.0200673800000000, 0.0090798500000000, 0.0091354400000000 ] - [ 0.0045375000000000, 0.0081323600000000, 0.0052257300000000 ] - [ -0.0109167000000000, 0.0000000000000000, 0.0044627100000000 ] - [ -0.0072026600000000, 0.0000000000000000, 0.0021629900000000 ] - [ 0.0022386800000000, 0.0019300000000000, -0.0022765900000000 ] - [ 0.0022386800000000, -0.0019300000000000, -0.0022765900000000 ] - [ -0.0232480500000000, 0.0000000000000000, 0.0074162400000000 ] - [ -0.0030576300000000, 0.0000000000000000, 0.0005283600000000 ] - [ -0.0107512500000000, 0.0009465700000000, 0.0003178200000000 ] - [ -0.0107512500000000, -0.0009465700000000, 0.0003178200000000 ] - [ -0.0115243000000000, -0.0009996800000000, 0.0033204500000000 ] - [ -0.0115243000000000, 0.0009996800000000, 0.0033204500000000 ] - [ -0.0046274100000000, -0.0035220800000000, -0.0028540400000000 ] - [ -0.0032984800000000, -0.0017553800000000, -0.0015135600000000 ] - [ 0.0004699200000000, 0.0016398300000000, -0.0004540100000000 ] - [ 0.0002090100000000, -0.0186808000000000, 0.0189428000000000 ] - [ 0.0002090100000000, 0.0186808000000000, 0.0189428000000000 ] - [ 0.0004699200000000, -0.0016398300000000, -0.0004540100000000 ] - [ -0.0032984800000000, 0.0017553800000000, -0.0015135600000000 ] - [ -0.0046274100000000, 0.0035220800000000, -0.0028540400000000 ] - [ -0.0133799600000000, 0.0163177300000000, -0.0117560300000000 ] - [ 0.0000690400000000, -0.0037984700000000, 0.0019171900000000 ] - [ -0.0029365000000000, -0.0002073800000000, -0.0004602600000000 ] - [ -0.0022627500000000, 0.0004708600000000, -0.0019178800000000 ] - [ -0.0022627500000000, -0.0004708600000000, -0.0019178800000000 ] - [ -0.0029365000000000, 0.0002073800000000, -0.0004602600000000 ] - [ -0.0015898200000000, 0.0022359600000000, 0.0005672000000000 ] - [ -0.0015898200000000, -0.0022359600000000, 0.0005672000000000 ] - [ -0.0067532400000000, 0.0000000000000000, -0.0017759900000000 ] - [ -0.0040912100000000, 0.0000000000000000, -0.0010256000000000 ] - [ -0.0021983100000000, 0.0014834000000000, 0.0001357500000000 ] - [ -0.0024799600000000, -0.0007749400000000, 0.0006445400000000 ] - [ -0.0031883800000000, -0.0007949500000000, -0.0011100400000000 ] - [ -0.0023172500000000, -0.0022099100000000, -0.0009682500000000 ] - [ -0.0023172500000000, 0.0022099100000000, -0.0009682500000000 ] - [ -0.0031883800000000, 0.0007949500000000, -0.0011100400000000 ] - [ -0.0024799600000000, 0.0007749400000000, 0.0006445400000000 ] - [ -0.0021983100000000, -0.0014834000000000, 0.0001357500000000 ] - [ 0.0000690400000000, 0.0037984700000000, 0.0019171900000000 ] - [ -0.0133799600000000, -0.0163177300000000, -0.0117560300000000 ] - [ -0.0037130300000000, 0.0033188500000000, -0.0030678500000000 ] - [ -0.0024989500000000, 0.0014030700000000, -0.0017825700000000 ] - [ -0.0024989500000000, -0.0014030700000000, -0.0017825700000000 ] - [ -0.0037130300000000, -0.0033188500000000, -0.0030678500000000 ] - [ -0.0088000200000000, 0.0189893500000000, -0.0096082700000000 ] - [ -0.0088000200000000, -0.0189893500000000, -0.0096082700000000 ] - [ 0.0038330200000000, 0.0000000000000000, 0.0106468800000000 ] - [ -0.0003290300000000, 0.0000000000000000, 0.0012210900000000 ] - [ 0.0094977100000000, 0.0000000000000000, 0.0037320900000000 ] - [ 0.0055061800000000, 0.0000000000000000, 0.0006390900000000 ] - [ 0.0044456600000000, -0.0034339500000000, -0.0001357900000000 ] - [ 0.0044456600000000, 0.0034339500000000, -0.0001357900000000 ] - [ 0.0022798200000000, 0.0018468000000000, -0.0011269900000000 ] - [ 0.0022798200000000, -0.0018468000000000, -0.0011269900000000 ] - [ -0.0125890500000000, 0.0000000000000000, -0.0068065400000000 ] - [ -0.0055820600000000, 0.0000000000000000, 0.0002085400000000 ] - [ 0.0020927300000000, 0.0000000000000000, -0.0008665800000000 ] - [ 0.0002832900000000, 0.0000000000000000, 0.0001144200000000 ] - [ 0.0044940800000000, 0.0000193600000000, 0.0004569200000000 ] - [ 0.0044940800000000, -0.0000193600000000, 0.0004569200000000 ] - [ -0.2808614400000000, 0.0000000000000000, 0.0056386300000000 ] - [ -0.0175801100000000, 0.0000000000000000, -0.0123861400000000 ] - [ 0.0130637600000000, 0.0114559200000000, 0.0082771000000000 ] - [ 0.0130637600000000, -0.0114559200000000, 0.0082771000000000 ] - [ -0.0102520300000000, -0.0208342200000000, 0.0127860800000000 ] - [ -0.0102520300000000, 0.0208342200000000, 0.0127860800000000 ] - [ 0.0127376900000000, 0.0000000000000000, 0.0015561000000000 ] - [ 0.0088605400000000, 0.0000000000000000, 0.0038751100000000 ] - [ 0.0838005400000000, 0.0000000000000000, -0.0150017300000000 ] - [ 0.0008203600000000, 0.0000000000000000, -0.0005172400000000 ] - [ -0.0102894000000000, 0.0247375500000000, 0.0184446700000000 ] - [ -0.0102894000000000, -0.0247375500000000, 0.0184446700000000 ] - [ 0.0169243400000000, -0.0000768500000000, 0.0013877900000000 ] - [ 0.0169243400000000, 0.0000768500000000, 0.0013877900000000 ] - [ 0.1053442100000000, 0.0000000000000000, -0.0503282900000000 ] - [ -0.0042965600000000, 0.0000000000000000, -0.0009727500000000 ] - [ 0.0194859400000000, 0.0000000000000000, -0.0006675200000000 ] - [ 0.0086936700000000, 0.0000000000000000, 0.0020130200000000 ] - [ -0.0150060700000000, -0.0139275800000000, -0.0075618200000000 ] - [ -0.0150060700000000, 0.0139275800000000, -0.0075618200000000 ] - [ 0.0099553000000000, -0.0142058100000000, 0.0088991200000000 ] - [ 0.0099553000000000, 0.0142058100000000, 0.0088991200000000 ] - [ 0.0194226300000000, 0.0000000000000000, -0.0006370600000000 ] - [ 0.0087261600000000, 0.0000000000000000, 0.0020489900000000 ]- atom: 101 displacement: [ -0.0099999983100469, 0.0000000000000000, -0.0000058136957938 ] forces: - [ -0.0183283000000000, -0.0000714800000000, 0.0070118900000000 ] - [ -0.0183283000000000, 0.0000714800000000, 0.0070118900000000 ] - [ 0.0226586000000000, 0.0000000000000000, -0.0118255200000000 ] - [ 0.0057344000000000, 0.0000000000000000, -0.0015930600000000 ] - [ 0.0023245000000000, 0.0025892900000000, 0.0017396000000000 ] - [ 0.0023245000000000, -0.0025892900000000, 0.0017396000000000 ] - [ -0.0201764400000000, 0.0000000000000000, 0.0063895500000000 ] - [ -0.0062860000000000, 0.0000000000000000, 0.0003626500000000 ] - [ -0.0758290100000000, 0.0000000000000000, 0.0249824900000000 ] - [ -0.0082362000000000, 0.0000000000000000, 0.0021680700000000 ] - [ -0.0062479800000000, -0.0075514900000000, -0.0056459900000000 ] - [ -0.0194975000000000, -0.0030580500000000, -0.0034855300000000 ] - [ 0.0031338000000000, -0.0017024800000000, 0.0026658900000000 ] - [ 0.0029452200000000, -0.0040115100000000, 0.0032933400000000 ] - [ 0.0029452200000000, 0.0040115100000000, 0.0032933400000000 ] - [ 0.0031338000000000, 0.0017024800000000, 0.0026658900000000 ] - [ -0.0194975000000000, 0.0030580500000000, -0.0034855300000000 ] - [ -0.0062479800000000, 0.0075514900000000, -0.0056459900000000 ] - [ 0.0005054400000000, 0.0018546400000000, -0.0001532600000000 ] - [ 0.0103971800000000, -0.0156239200000000, 0.0113428800000000 ] - [ -0.0027237100000000, -0.0027037500000000, 0.0008297700000000 ] - [ -0.0028485200000000, 0.0012554100000000, 0.0011726700000000 ] - [ -0.0028485200000000, -0.0012554100000000, 0.0011726700000000 ] - [ -0.0027237100000000, 0.0027037500000000, 0.0008297700000000 ] - [ 0.0033495100000000, 0.0000000000000000, 0.0013184400000000 ] - [ 0.0012989400000000, 0.0000000000000000, 0.0000294900000000 ] - [ -0.0106896400000000, -0.0011504300000000, -0.0010382400000000 ] - [ -0.0106896400000000, 0.0011504300000000, -0.0010382400000000 ] - [ -0.0007037400000000, 0.0008016700000000, 0.0029095300000000 ] - [ -0.0012723000000000, -0.0018578100000000, 0.0016018600000000 ] - [ 0.0003896000000000, 0.0029715400000000, -0.0014776800000000 ] - [ 0.0032983800000000, -0.0120904700000000, -0.0079928200000000 ] - [ 0.0032983800000000, 0.0120904700000000, -0.0079928200000000 ] - [ 0.0003896000000000, -0.0029715400000000, -0.0014776800000000 ] - [ -0.0012723000000000, 0.0018578100000000, 0.0016018600000000 ] - [ -0.0007037400000000, -0.0008016700000000, 0.0029095300000000 ] - [ 0.0103971800000000, 0.0156239200000000, 0.0113428800000000 ] - [ 0.0005054400000000, -0.0018546400000000, -0.0001532600000000 ] - [ -0.0043787800000000, 0.0084533000000000, -0.0056699000000000 ] - [ -0.0203260700000000, 0.0095128300000000, -0.0096435100000000 ] - [ -0.0203260700000000, -0.0095128300000000, -0.0096435100000000 ] - [ -0.0043787800000000, -0.0084533000000000, -0.0056699000000000 ] - [ 0.0106904900000000, 0.0000000000000000, -0.0042509500000000 ] - [ 0.0069921900000000, 0.0000000000000000, -0.0019617500000000 ] - [ -0.0021113900000000, -0.0019247700000000, 0.0021032500000000 ] - [ -0.0021113900000000, 0.0019247700000000, 0.0021032500000000 ] - [ 0.0239091300000000, 0.0000000000000000, -0.0066876800000000 ] - [ 0.0037992100000000, 0.0000000000000000, 0.0001626400000000 ] - [ 0.0099630300000000, -0.0009507600000000, -0.0010025200000000 ] - [ 0.0099630300000000, 0.0009507600000000, -0.0010025200000000 ] - [ 0.0114934900000000, 0.0009923800000000, -0.0033155600000000 ] - [ 0.0114934900000000, -0.0009923800000000, -0.0033155600000000 ] - [ 0.0042328400000000, 0.0030746500000000, 0.0028612500000000 ] - [ 0.0029096900000000, 0.0013171400000000, 0.0015267300000000 ] - [ -0.0000945500000000, -0.0020663300000000, 0.0004262900000000 ] - [ 0.0002429400000000, 0.0181964600000000, -0.0189434700000000 ] - [ 0.0002429400000000, -0.0181964600000000, -0.0189434700000000 ] - [ -0.0000945500000000, 0.0020663300000000, 0.0004262900000000 ] - [ 0.0029096900000000, -0.0013171400000000, 0.0015267300000000 ] - [ 0.0042328400000000, -0.0030746500000000, 0.0028612500000000 ] - [ 0.0132867500000000, -0.0166396400000000, 0.0121684100000000 ] - [ -0.0002184100000000, 0.0034680900000000, -0.0014606800000000 ] - [ 0.0029279800000000, 0.0007990400000000, 0.0004599000000000 ] - [ 0.0022568100000000, 0.0001244000000000, 0.0019131200000000 ] - [ 0.0022568100000000, -0.0001244000000000, 0.0019131200000000 ] - [ 0.0029279800000000, -0.0007990400000000, 0.0004599000000000 ] - [ 0.0014619200000000, -0.0022343100000000, -0.0009454800000000 ] - [ 0.0014619200000000, 0.0022343100000000, -0.0009454800000000 ] - [ 0.0068495000000000, 0.0000000000000000, 0.0021459300000000 ] - [ 0.0041941600000000, 0.0000000000000000, 0.0013967500000000 ] - [ 0.0024369200000000, -0.0019448800000000, -0.0002119600000000 ] - [ 0.0027171100000000, 0.0003072900000000, -0.0007154200000000 ] - [ 0.0029386200000000, 0.0003224800000000, 0.0011868800000000 ] - [ 0.0020625900000000, 0.0017404500000000, 0.0010440700000000 ] - [ 0.0020625900000000, -0.0017404500000000, 0.0010440700000000 ] - [ 0.0029386200000000, -0.0003224800000000, 0.0011868800000000 ] - [ 0.0027171100000000, -0.0003072900000000, -0.0007154200000000 ] - [ 0.0024369200000000, 0.0019448800000000, -0.0002119600000000 ] - [ -0.0002184100000000, -0.0034680900000000, -0.0014606800000000 ] - [ 0.0132867500000000, 0.0166396400000000, 0.0121684100000000 ] - [ 0.0038488300000000, -0.0029739200000000, 0.0026014800000000 ] - [ 0.0026395100000000, -0.0010683400000000, 0.0013247100000000 ] - [ 0.0026395100000000, 0.0010683400000000, 0.0013247100000000 ] - [ 0.0038488300000000, 0.0029739200000000, 0.0026014800000000 ] - [ 0.0097457400000000, -0.0188733200000000, 0.0088494000000000 ] - [ 0.0097457400000000, 0.0188733200000000, 0.0088494000000000 ] - [ -0.0048876200000000, 0.0000000000000000, -0.0098527700000000 ] - [ -0.0007322300000000, 0.0000000000000000, -0.0005074100000000 ] - [ -0.0084265800000000, 0.0000000000000000, -0.0044459200000000 ] - [ -0.0044325500000000, 0.0000000000000000, -0.0013619600000000 ] - [ -0.0054947800000000, 0.0034266900000000, 0.0008601300000000 ] - [ -0.0054947800000000, -0.0034266900000000, 0.0008601300000000 ] - [ -0.0028048100000000, -0.0018370100000000, 0.0007355800000000 ] - [ -0.0028048100000000, 0.0018370100000000, 0.0007355800000000 ] - [ 0.0130302500000000, 0.0000000000000000, 0.0071670800000000 ] - [ 0.0060901400000000, 0.0000000000000000, 0.0001791100000000 ] - [ -0.0026169400000000, 0.0000000000000000, 0.0004787200000000 ] - [ -0.0008061700000000, 0.0000000000000000, -0.0004945600000000 ] - [ -0.0039514200000000, -0.0000169200000000, -0.0000748100000000 ] - [ -0.0039514200000000, 0.0000169200000000, -0.0000748100000000 ] - [ 0.2856805800000000, 0.0000000000000000, -0.0076870500000000 ] - [ 0.0182612600000000, 0.0000000000000000, 0.0130256100000000 ] - [ -0.0137679800000000, -0.0113995100000000, -0.0089120400000000 ] - [ -0.0137679800000000, 0.0113995100000000, -0.0089120400000000 ] - [ 0.0093694400000000, 0.0206467000000000, -0.0129910500000000 ] - [ 0.0093694400000000, -0.0206467000000000, -0.0129910500000000 ] - [ -0.0117542600000000, 0.0000000000000000, -0.0012239900000000 ] - [ -0.0078899500000000, 0.0000000000000000, -0.0035408600000000 ] - [ -0.0831721100000000, 0.0000000000000000, 0.0137015500000000 ] - [ -0.0010507800000000, 0.0000000000000000, -0.0005855500000000 ] - [ 0.0104468500000000, -0.0247195300000000, -0.0173350500000000 ] - [ 0.0104468500000000, 0.0247195300000000, -0.0173350500000000 ] - [ -0.0161457700000000, 0.0000811800000000, -0.0006971000000000 ] - [ -0.0161457700000000, -0.0000811800000000, -0.0006971000000000 ] - [ -0.1065057200000000, 0.0000000000000000, 0.0498202200000000 ] - [ 0.0035786300000000, 0.0000000000000000, 0.0002941100000000 ] - [ -0.0203606100000000, 0.0000000000000000, 0.0003341600000000 ] - [ -0.0096172800000000, 0.0000000000000000, -0.0023357400000000 ] - [ 0.0159197500000000, 0.0139159400000000, 0.0079157400000000 ] - [ 0.0159197500000000, -0.0139159400000000, 0.0079157400000000 ] - [ -0.0101479500000000, 0.0142360000000000, -0.0100280400000000 ] - [ -0.0101479500000000, -0.0142360000000000, -0.0100280400000000 ] - [ -0.0191397000000000, 0.0000000000000000, 0.0017340400000000 ] - [ -0.0084795400000000, 0.0000000000000000, -0.0009443200000000 ]- atom: 101 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0115131500000000, -0.0019369500000000, -0.0070868200000000 ] - [ -0.0116421600000000, -0.0019158600000000, 0.0072131600000000 ] - [ 0.0000827400000000, 0.0013427100000000, -0.0000779200000000 ] - [ 0.0000900200000000, -0.0011409000000000, -0.0000903200000000 ] - [ -0.0178481000000000, -0.0026483000000000, -0.0004990400000000 ] - [ 0.0185500300000000, -0.0026307800000000, 0.0011704200000000 ] - [ -0.0008338500000000, 0.0168325800000000, -0.0002201800000000 ] - [ -0.0003748400000000, -0.0055274200000000, -0.0003499900000000 ] - [ 0.0003795500000000, 0.0154683800000000, -0.0002007400000000 ] - [ 0.0000112100000000, -0.0039083900000000, -0.0000027900000000 ] - [ -0.0049606800000000, -0.0225408200000000, -0.0095403800000000 ] - [ 0.0071553400000000, 0.0346246000000000, 0.0257298900000000 ] - [ -0.0014071300000000, 0.0022299600000000, -0.0015923100000000 ] - [ 0.0024060700000000, -0.0031960300000000, 0.0018422900000000 ] - [ -0.0020297400000000, -0.0027732300000000, -0.0018666500000000 ] - [ 0.0017828900000000, 0.0026508800000000, 0.0015670300000000 ] - [ -0.0084717800000000, 0.0375542800000000, -0.0287580400000000 ] - [ 0.0046004100000000, -0.0221225100000000, 0.0096118700000000 ] - [ -0.0006068400000000, -0.0039116700000000, 0.0019762100000000 ] - [ 0.0006591600000000, 0.0037644300000000, -0.0018274800000000 ] - [ 0.0013618100000000, -0.0071559100000000, 0.0094291000000000 ] - [ -0.0029063100000000, 0.0016431500000000, -0.0115077500000000 ] - [ 0.0029087600000000, 0.0010495600000000, 0.0114898600000000 ] - [ -0.0013598600000000, -0.0077564400000000, -0.0094221300000000 ] - [ -0.0000544000000000, 0.0017465400000000, -0.0001741100000000 ] - [ -0.0000615100000000, -0.0018049000000000, -0.0001812900000000 ] - [ -0.0082331100000000, -0.0061609700000000, 0.0045789600000000 ] - [ 0.0083509900000000, -0.0061584500000000, -0.0042117800000000 ] - [ -0.0068456400000000, 0.0072469500000000, -0.0079917500000000 ] - [ 0.0045634800000000, -0.0103518300000000, 0.0039977900000000 ] - [ -0.0030900500000000, -0.0052790300000000, 0.0005779400000000 ] - [ 0.0019461600000000, 0.0042259700000000, 0.0004088500000000 ] - [ -0.0021663200000000, 0.0047074600000000, -0.0003488300000000 ] - [ 0.0028605900000000, -0.0048317600000000, -0.0005168800000000 ] - [ -0.0043356800000000, -0.0099138800000000, -0.0040678300000000 ] - [ 0.0070679500000000, 0.0076962000000000, 0.0079272800000000 ] - [ -0.0007845600000000, 0.0041171000000000, 0.0022933300000000 ] - [ 0.0004574700000000, -0.0035813100000000, -0.0015251300000000 ] - [ 0.0032942300000000, -0.0228344900000000, 0.0093534300000000 ] - [ -0.0046041800000000, 0.0170101200000000, -0.0058273600000000 ] - [ 0.0057819700000000, 0.0185271900000000, 0.0074206500000000 ] - [ -0.0031589300000000, -0.0231414900000000, -0.0098346100000000 ] - [ -0.0001081800000000, 0.0005265500000000, 0.0000958800000000 ] - [ -0.0001070800000000, -0.0006137400000000, 0.0000951200000000 ] - [ 0.0183254000000000, -0.0035206300000000, -0.0039194500000000 ] - [ -0.0181272300000000, -0.0035026800000000, 0.0037568200000000 ] - [ 0.0003719000000000, 0.0016994400000000, 0.0003510600000000 ] - [ 0.0003757900000000, -0.0015435100000000, 0.0003493800000000 ] - [ 0.0026803700000000, 0.0000195800000000, -0.0003580000000000 ] - [ -0.0034621600000000, 0.0000164700000000, -0.0003401500000000 ] - [ -0.0026179000000000, 0.0000111800000000, 0.0011391800000000 ] - [ 0.0025975100000000, 0.0000108600000000, -0.0011306900000000 ] - [ 0.0000797500000000, 0.0006064100000000, 0.0005831800000000 ] - [ -0.0004912600000000, -0.0010616600000000, -0.0005641800000000 ] - [ 0.0038456700000000, -0.0071514800000000, 0.0050965500000000 ] - [ -0.0032041400000000, 0.0064473200000000, -0.0048321000000000 ] - [ 0.0035925500000000, 0.0069535900000000, 0.0048878200000000 ] - [ -0.0034554500000000, -0.0067299100000000, -0.0051190600000000 ] - [ 0.0000985600000000, -0.0006292700000000, 0.0005804900000000 ] - [ -0.0004729900000000, 0.0010386500000000, -0.0005659800000000 ] - [ 0.0002336600000000, 0.0036965300000000, -0.0023358000000000 ] - [ -0.0002095400000000, -0.0035841600000000, 0.0024076200000000 ] - [ -0.0002547600000000, 0.0011315200000000, -0.0000021900000000 ] - [ 0.0002429700000000, -0.0005894800000000, -0.0000668100000000 ] - [ -0.0002485800000000, -0.0011795500000000, 0.0000623700000000 ] - [ 0.0002482900000000, 0.0005409500000000, -0.0000015000000000 ] - [ 0.0034167100000000, -0.0000455400000000, 0.0011401100000000 ] - [ -0.0035313000000000, -0.0000555800000000, -0.0014968500000000 ] - [ 0.0000506100000000, 0.0006101600000000, 0.0001784500000000 ] - [ 0.0000520300000000, -0.0006717000000000, 0.0001795100000000 ] - [ 0.0007180500000000, -0.0012702400000000, 0.0000646800000000 ] - [ -0.0004819300000000, 0.0007912100000000, -0.0001255000000000 ] - [ 0.0015140300000000, 0.0016517900000000, 0.0001620800000000 ] - [ -0.0020410600000000, -0.0024172600000000, -0.0000484100000000 ] - [ 0.0018046100000000, -0.0019542600000000, 0.0001111500000000 ] - [ -0.0017525700000000, 0.0021092400000000, -0.0001004700000000 ] - [ 0.0007125000000000, 0.0012500200000000, 0.0000588200000000 ] - [ -0.0004876100000000, -0.0008160600000000, -0.0001310000000000 ] - [ 0.0000752300000000, -0.0032395200000000, -0.0019470100000000 ] - [ -0.0004268200000000, 0.0039589400000000, 0.0027410900000000 ] - [ -0.0000762300000000, 0.0011884400000000, -0.0007642500000000 ] - [ 0.0002139100000000, -0.0008587800000000, 0.0002961600000000 ] - [ -0.0000761300000000, -0.0011891100000000, -0.0007480200000000 ] - [ 0.0002110500000000, 0.0008551100000000, 0.0003105500000000 ] - [ 0.0181379400000000, 0.0060993800000000, -0.0040027400000000 ] - [ -0.0170423400000000, 0.0061065100000000, 0.0032567800000000 ] - [ -0.0005243900000000, -0.0218065900000000, 0.0003404100000000 ] - [ -0.0005158900000000, 0.0133730300000000, 0.0003555300000000 ] - [ 0.0005351300000000, -0.0030794700000000, -0.0003541000000000 ] - [ 0.0005292200000000, 0.0031613000000000, -0.0003581100000000 ] - [ -0.0030674000000000, 0.0000226100000000, -0.0004811400000000 ] - [ 0.0020270400000000, 0.0000312400000000, 0.0011992100000000 ] - [ 0.0022442400000000, 0.0000906300000000, 0.0004754100000000 ] - [ -0.0027548200000000, 0.0000935100000000, -0.0008627500000000 ] - [ 0.0002547000000000, -0.0149984700000000, 0.0002063600000000 ] - [ 0.0002536700000000, 0.0089280900000000, 0.0001989500000000 ] - [ -0.0002556400000000, -0.0051570500000000, -0.0001995400000000 ] - [ -0.0002610700000000, 0.0046980600000000, -0.0001976600000000 ] - [ -0.0001669000000000, -0.0000040800000000, 0.0001223500000000 ] - [ 0.0006931200000000, -0.0000038600000000, 0.0002749000000000 ] - [ 0.0001347300000000, -0.2673101200000000, 0.0014256500000000 ] - [ 0.0003351200000000, 0.0452049900000000, 0.0003277000000000 ] - [ 0.0111075300000000, 0.0003119800000000, -0.0034374200000000 ] - [ -0.0117519800000000, 0.0003214300000000, 0.0027373400000000 ] - [ -0.0231723300000000, 0.0587963500000000, -0.0430831500000000 ] - [ 0.0221412000000000, 0.0586774700000000, 0.0425872800000000 ] - [ 0.0004925300000000, -0.0037286900000000, 0.0001562700000000 ] - [ 0.0004947400000000, 0.0043997700000000, 0.0001567500000000 ] - [ -0.0001589500000000, -0.0123151900000000, -0.0005483200000000 ] - [ -0.0000877300000000, 0.0109799800000000, -0.0005425300000000 ] - [ 0.0199496700000000, 0.0580606000000000, 0.0463820600000000 ] - [ -0.0196556700000000, 0.0577471300000000, -0.0449509600000000 ] - [ 0.0004436400000000, 0.0000299900000000, 0.0001461300000000 ] - [ 0.0002854700000000, 0.0000311500000000, 0.0005343300000000 ] - [ -0.0001271900000000, -0.0153789000000000, -0.0004524800000000 ] - [ -0.0003630100000000, 0.0125894600000000, -0.0003428900000000 ] - [ -0.0004647100000000, -0.0016152500000000, -0.0001511000000000 ] - [ -0.0004694200000000, 0.0016002800000000, -0.0001490900000000 ] - [ -0.0149115000000000, 0.0008999400000000, -0.0067416800000000 ] - [ 0.0157886000000000, 0.0009649800000000, 0.0070277500000000 ] - [ -0.0142124800000000, 0.0002067600000000, 0.0048749000000000 ] - [ 0.0140221200000000, 0.0002546700000000, -0.0059253000000000 ] - [ 0.0001128300000000, -0.0024739200000000, 0.0005379000000000 ] - [ 0.0001036500000000, 0.0024857200000000, 0.0005403300000000 ]- atom: 101 displacement: [ -0.0011848924261905, 0.0000000000000000, 0.0099295533604667 ] forces: - [ 0.0149813100000000, -0.0025691200000000, -0.0101977500000000 ] - [ 0.0149813100000000, 0.0025691200000000, -0.0101977500000000 ] - [ 0.0116400300000000, 0.0000000000000000, -0.0065647600000000 ] - [ 0.0025061700000000, 0.0000000000000000, -0.0006407800000000 ] - [ -0.0163797400000000, -0.0024868400000000, 0.0018696500000000 ] - [ -0.0163797400000000, 0.0024868400000000, 0.0018696500000000 ] - [ 0.0049865100000000, 0.0000000000000000, 0.0164541100000000 ] - [ -0.0003458900000000, 0.0000000000000000, 0.0031731200000000 ] - [ -0.0324582700000000, 0.0000000000000000, 0.0273557500000000 ] - [ 0.0000304300000000, 0.0000000000000000, 0.0026622100000000 ] - [ 0.0039025800000000, 0.0146432800000000, 0.0106190200000000 ] - [ 0.0029165100000000, 0.0189018900000000, 0.0394820500000000 ] - [ -0.0012953300000000, -0.0006032300000000, 0.0011591600000000 ] - [ -0.0015066500000000, -0.0002895900000000, 0.0007210400000000 ] - [ -0.0015066500000000, 0.0002895900000000, 0.0007210400000000 ] - [ -0.0012953300000000, 0.0006032300000000, 0.0011591600000000 ] - [ 0.0029165100000000, -0.0189018900000000, 0.0394820500000000 ] - [ 0.0039025800000000, -0.0146432800000000, 0.0106190200000000 ] - [ 0.0007523000000000, -0.0014851500000000, 0.0037162700000000 ] - [ 0.0055789800000000, -0.0104436400000000, 0.0104437200000000 ] - [ -0.0012440300000000, 0.0041865400000000, -0.0144962000000000 ] - [ -0.0035686700000000, -0.0027223000000000, -0.0161357000000000 ] - [ -0.0035686700000000, 0.0027223000000000, -0.0161357000000000 ] - [ -0.0012440300000000, -0.0041865400000000, -0.0144962000000000 ] - [ -0.0049213600000000, 0.0000000000000000, -0.0048031900000000 ] - [ -0.0027398700000000, 0.0000000000000000, -0.0020449800000000 ] - [ 0.0063499400000000, 0.0068354400000000, -0.0045001300000000 ] - [ 0.0063499400000000, -0.0068354400000000, -0.0045001300000000 ] - [ -0.0026302100000000, 0.0010751100000000, -0.0091728900000000 ] - [ -0.0018215400000000, 0.0048620900000000, -0.0049287900000000 ] - [ 0.0031285800000000, 0.0038110300000000, -0.0009370200000000 ] - [ 0.0044527300000000, -0.0046153100000000, -0.0037924600000000 ] - [ 0.0044527300000000, 0.0046153100000000, -0.0037924600000000 ] - [ 0.0031285800000000, -0.0038110300000000, -0.0009370200000000 ] - [ -0.0018215400000000, -0.0048620900000000, -0.0049287900000000 ] - [ -0.0026302100000000, -0.0010751100000000, -0.0091728900000000 ] - [ 0.0055789800000000, 0.0104436400000000, 0.0104437200000000 ] - [ 0.0007523000000000, 0.0014851500000000, 0.0037162700000000 ] - [ 0.0042573800000000, -0.0168562100000000, 0.0119888100000000 ] - [ 0.0015426300000000, -0.0004947100000000, 0.0147802300000000 ] - [ 0.0015426300000000, 0.0004947100000000, 0.0147802300000000 ] - [ 0.0042573800000000, 0.0168562100000000, 0.0119888100000000 ] - [ -0.0000396600000000, 0.0000000000000000, -0.0004929700000000 ] - [ -0.0013167400000000, 0.0000000000000000, 0.0004080400000000 ] - [ -0.0183462600000000, 0.0032773500000000, 0.0046387100000000 ] - [ -0.0183462600000000, -0.0032773500000000, 0.0046387100000000 ] - [ 0.0107608900000000, 0.0000000000000000, -0.0028878700000000 ] - [ -0.0000530500000000, 0.0000000000000000, 0.0005701600000000 ] - [ -0.0009813500000000, -0.0005072500000000, 0.0002811200000000 ] - [ -0.0009813500000000, 0.0005072500000000, 0.0002811200000000 ] - [ -0.0004669200000000, 0.0004601600000000, 0.0013754700000000 ] - [ -0.0004669200000000, -0.0004601600000000, 0.0013754700000000 ] - [ 0.0005418300000000, 0.0007931900000000, 0.0008192500000000 ] - [ -0.0000086700000000, 0.0000665100000000, 0.0002856000000000 ] - [ 0.0000572900000000, -0.0007106600000000, -0.0009982300000000 ] - [ 0.0012359100000000, 0.0093857300000000, -0.0108537500000000 ] - [ 0.0012359100000000, -0.0093857300000000, -0.0108537500000000 ] - [ 0.0000572900000000, 0.0007106600000000, -0.0009982300000000 ] - [ -0.0000086700000000, -0.0000665100000000, 0.0002856000000000 ] - [ 0.0005418300000000, -0.0007931900000000, 0.0008192500000000 ] - [ 0.0067602400000000, -0.0112478100000000, 0.0094927200000000 ] - [ -0.0003969300000000, -0.0002018600000000, 0.0013649200000000 ] - [ -0.0005106900000000, 0.0003572500000000, -0.0020027800000000 ] - [ -0.0004848000000000, 0.0002426200000000, -0.0009875300000000 ] - [ -0.0004848000000000, -0.0002426200000000, -0.0009875300000000 ] - [ -0.0005106900000000, -0.0003572500000000, -0.0020027800000000 ] - [ 0.0004278600000000, -0.0010572000000000, -0.0025352400000000 ] - [ 0.0004278600000000, 0.0010572000000000, -0.0025352400000000 ] - [ 0.0007379300000000, 0.0000000000000000, 0.0001312900000000 ] - [ -0.0005098700000000, 0.0000000000000000, -0.0001676400000000 ] - [ 0.0001554400000000, -0.0007480200000000, -0.0004141400000000 ] - [ 0.0002570000000000, 0.0004116900000000, -0.0007703500000000 ] - [ -0.0009588600000000, -0.0005774300000000, 0.0008762600000000 ] - [ -0.0013119900000000, -0.0003226600000000, 0.0006780800000000 ] - [ -0.0013119900000000, 0.0003226600000000, 0.0006780800000000 ] - [ -0.0009588600000000, 0.0005774300000000, 0.0008762600000000 ] - [ 0.0002570000000000, -0.0004116900000000, -0.0007703500000000 ] - [ 0.0001554400000000, 0.0007480200000000, -0.0004141400000000 ] - [ -0.0003969300000000, 0.0002018600000000, 0.0013649200000000 ] - [ 0.0067602400000000, 0.0112478100000000, 0.0094927200000000 ] - [ 0.0008671900000000, -0.0011763300000000, 0.0009400700000000 ] - [ 0.0001972300000000, -0.0000489700000000, 0.0001959900000000 ] - [ 0.0001972300000000, 0.0000489700000000, 0.0001959900000000 ] - [ 0.0008671900000000, 0.0011763300000000, 0.0009400700000000 ] - [ -0.0111011200000000, -0.0140447300000000, -0.0021149700000000 ] - [ -0.0111011200000000, 0.0140447300000000, -0.0021149700000000 ] - [ 0.0157805600000000, 0.0000000000000000, 0.0125200200000000 ] - [ 0.0043570500000000, 0.0000000000000000, 0.0017625300000000 ] - [ -0.0001200300000000, 0.0000000000000000, -0.0023882700000000 ] - [ 0.0011152300000000, 0.0000000000000000, -0.0007398000000000 ] - [ -0.0015506700000000, 0.0019048600000000, 0.0011340400000000 ] - [ -0.0015506700000000, -0.0019048600000000, 0.0011340400000000 ] - [ -0.0003091400000000, 0.0001429500000000, 0.0041191800000000 ] - [ -0.0003091400000000, -0.0001429500000000, 0.0041191800000000 ] - [ -0.0098680600000000, 0.0000000000000000, 0.0263527700000000 ] - [ -0.0021475200000000, 0.0000000000000000, 0.0049108700000000 ] - [ 0.0030758100000000, 0.0000000000000000, 0.0044905300000000 ] - [ 0.0018926900000000, 0.0000000000000000, 0.0013475000000000 ] - [ 0.0004155100000000, 0.0000424500000000, 0.0007106700000000 ] - [ 0.0004155100000000, -0.0000424500000000, 0.0007106700000000 ] - [ 0.0414098200000000, 0.0000000000000000, -0.2808704100000000 ] - [ -0.0101328600000000, 0.0000000000000000, -0.0355859700000000 ] - [ 0.0066118200000000, -0.0044203500000000, -0.0138081900000000 ] - [ 0.0066118200000000, 0.0044203500000000, -0.0138081900000000 ] - [ 0.0244341100000000, -0.0569060000000000, 0.0401050500000000 ] - [ 0.0244341100000000, 0.0569060000000000, 0.0401050500000000 ] - [ 0.0045522900000000, 0.0000000000000000, 0.0013139800000000 ] - [ 0.0035479800000000, 0.0000000000000000, 0.0013029400000000 ] - [ -0.0469850500000000, 0.0000000000000000, -0.0010042100000000 ] - [ -0.0033789200000000, 0.0000000000000000, -0.0064669900000000 ] - [ 0.0130984500000000, 0.0541111900000000, 0.0363248700000000 ] - [ 0.0130984500000000, -0.0541111900000000, 0.0363248700000000 ] - [ -0.0005646000000000, 0.0002023200000000, -0.0016644700000000 ] - [ -0.0005646000000000, -0.0002023200000000, -0.0016644700000000 ] - [ -0.0625863300000000, 0.0000000000000000, 0.0206164400000000 ] - [ -0.0005153000000000, 0.0000000000000000, -0.0022837100000000 ] - [ -0.0064898800000000, 0.0000000000000000, 0.0031920900000000 ] - [ -0.0015094000000000, 0.0000000000000000, 0.0012622900000000 ] - [ -0.0049402400000000, 0.0063714800000000, 0.0226043300000000 ] - [ -0.0049402400000000, -0.0063714800000000, 0.0226043300000000 ] - [ 0.0092248000000000, 0.0069114200000000, -0.0123023900000000 ] - [ 0.0092248000000000, -0.0069114200000000, -0.0123023900000000 ] - [ -0.0046843900000000, 0.0000000000000000, 0.0011189400000000 ] - [ 0.0008706400000000, 0.0000000000000000, -0.0002306700000000 ]- atom: 101 displacement: [ 0.0011848924261905, 0.0000000000000000, -0.0099295533604667 ] forces: - [ -0.0151505300000000, 0.0025398500000000, 0.0103572100000000 ] - [ -0.0151505300000000, -0.0025398500000000, 0.0103572100000000 ] - [ -0.0114583600000000, 0.0000000000000000, 0.0063820100000000 ] - [ -0.0023204000000000, 0.0000000000000000, 0.0004570900000000 ] - [ 0.0171235400000000, 0.0024670000000000, -0.0011826700000000 ] - [ 0.0171235400000000, -0.0024670000000000, -0.0011826700000000 ] - [ -0.0052410100000000, 0.0000000000000000, -0.0174003900000000 ] - [ -0.0003987700000000, 0.0000000000000000, -0.0038754600000000 ] - [ 0.0303627300000000, 0.0000000000000000, -0.0270453000000000 ] - [ -0.0000237700000000, 0.0000000000000000, -0.0026625400000000 ] - [ -0.0042792700000000, -0.0150754900000000, -0.0105794300000000 ] - [ -0.0040979400000000, -0.0218191800000000, -0.0414114700000000 ] - [ 0.0016729900000000, 0.0001740500000000, -0.0011783300000000 ] - [ 0.0018890100000000, -0.0001386800000000, -0.0007407300000000 ] - [ 0.0018890100000000, 0.0001386800000000, -0.0007407300000000 ] - [ 0.0016729900000000, -0.0001740500000000, -0.0011783300000000 ] - [ -0.0040979400000000, 0.0218191800000000, -0.0414114700000000 ] - [ -0.0042792700000000, 0.0150754900000000, -0.0105794300000000 ] - [ -0.0008984100000000, 0.0011550800000000, -0.0032658400000000 ] - [ -0.0057134600000000, 0.0101015500000000, -0.0099782800000000 ] - [ 0.0012459400000000, -0.0035856800000000, 0.0144818900000000 ] - [ 0.0035896300000000, 0.0033424800000000, 0.0161518900000000 ] - [ 0.0035896300000000, -0.0033424800000000, 0.0161518900000000 ] - [ 0.0012459400000000, 0.0035856800000000, 0.0144818900000000 ] - [ 0.0047973400000000, 0.0000000000000000, 0.0044430200000000 ] - [ 0.0026212700000000, 0.0000000000000000, 0.0016810700000000 ] - [ -0.0062393600000000, -0.0068611900000000, 0.0048494000000000 ] - [ -0.0062393600000000, 0.0068611900000000, 0.0048494000000000 ] - [ 0.0028468000000000, -0.0015492100000000, 0.0091198900000000 ] - [ 0.0020596900000000, -0.0053232800000000, 0.0048618500000000 ] - [ -0.0033604800000000, -0.0042650100000000, 0.0009945900000000 ] - [ -0.0046909900000000, 0.0041602300000000, 0.0038432100000000 ] - [ -0.0046909900000000, -0.0041602300000000, 0.0038432100000000 ] - [ -0.0033604800000000, 0.0042650100000000, 0.0009945900000000 ] - [ 0.0020596900000000, 0.0053232800000000, 0.0048618500000000 ] - [ 0.0028468000000000, 0.0015492100000000, 0.0091198900000000 ] - [ -0.0057134600000000, -0.0101015500000000, -0.0099782800000000 ] - [ -0.0008984100000000, -0.0011550800000000, -0.0032658400000000 ] - [ -0.0041173400000000, 0.0171619100000000, -0.0124480100000000 ] - [ -0.0007404100000000, -0.0006360600000000, -0.0141872900000000 ] - [ -0.0007404100000000, 0.0006360600000000, -0.0141872900000000 ] - [ -0.0041173400000000, -0.0171619100000000, -0.0124480100000000 ] - [ -0.0001728500000000, 0.0000000000000000, 0.0006856200000000 ] - [ 0.0011126900000000, 0.0000000000000000, -0.0002195800000000 ] - [ 0.0185454900000000, -0.0032967600000000, -0.0048101500000000 ] - [ 0.0185454900000000, 0.0032967600000000, -0.0048101500000000 ] - [ -0.0100179800000000, 0.0000000000000000, 0.0035871000000000 ] - [ 0.0008051100000000, 0.0000000000000000, 0.0001303800000000 ] - [ 0.0002063700000000, 0.0005075800000000, -0.0009797700000000 ] - [ 0.0002063700000000, -0.0005075800000000, -0.0009797700000000 ] - [ 0.0004591900000000, -0.0004610100000000, -0.0013726300000000 ] - [ 0.0004591900000000, 0.0004610100000000, -0.0013726300000000 ] - [ -0.0009321300000000, -0.0012242800000000, -0.0008016200000000 ] - [ -0.0003812700000000, -0.0004973900000000, -0.0002682400000000 ] - [ 0.0003321600000000, 0.0002802700000000, 0.0009794800000000 ] - [ -0.0008160400000000, -0.0098687600000000, 0.0108883500000000 ] - [ -0.0008160400000000, 0.0098687600000000, 0.0108883500000000 ] - [ 0.0003321600000000, -0.0002802700000000, 0.0009794800000000 ] - [ -0.0003812700000000, 0.0004973900000000, -0.0002682400000000 ] - [ -0.0009321300000000, 0.0012242800000000, -0.0008016200000000 ] - [ -0.0069182500000000, 0.0109595800000000, -0.0090730800000000 ] - [ 0.0002593800000000, -0.0001365600000000, -0.0009077200000000 ] - [ 0.0005045700000000, 0.0002310600000000, 0.0019978000000000 ] - [ 0.0004811900000000, 0.0003466800000000, 0.0009856500000000 ] - [ 0.0004811900000000, -0.0003466800000000, 0.0009856500000000 ] - [ 0.0005045700000000, -0.0002310600000000, 0.0019978000000000 ] - [ -0.0005407200000000, 0.0010607800000000, 0.0021790200000000 ] - [ -0.0005407200000000, -0.0010607800000000, 0.0021790200000000 ] - [ -0.0006295000000000, 0.0000000000000000, 0.0002272400000000 ] - [ 0.0006174600000000, 0.0000000000000000, 0.0005280200000000 ] - [ 0.0000787200000000, 0.0002912600000000, 0.0003484200000000 ] - [ -0.0000231600000000, -0.0008693600000000, 0.0007051500000000 ] - [ 0.0007238200000000, 0.0001182900000000, -0.0008155600000000 ] - [ 0.0010759800000000, -0.0001388500000000, -0.0006156700000000 ] - [ 0.0010759800000000, 0.0001388500000000, -0.0006156700000000 ] - [ 0.0007238200000000, -0.0001182900000000, -0.0008155600000000 ] - [ -0.0000231600000000, 0.0008693600000000, 0.0007051500000000 ] - [ 0.0000787200000000, -0.0002912600000000, 0.0003484200000000 ] - [ 0.0002593800000000, 0.0001365600000000, -0.0009077200000000 ] - [ -0.0069182500000000, -0.0109595800000000, -0.0090730800000000 ] - [ -0.0007290500000000, 0.0015066500000000, -0.0013911600000000 ] - [ -0.0000570600000000, 0.0003779000000000, -0.0006462700000000 ] - [ -0.0000570600000000, -0.0003779000000000, -0.0006462700000000 ] - [ -0.0007290500000000, -0.0015066500000000, -0.0013911600000000 ] - [ 0.0121607300000000, 0.0140549800000000, 0.0014329600000000 ] - [ 0.0121607300000000, -0.0140549800000000, 0.0014329600000000 ] - [ -0.0167554700000000, 0.0000000000000000, -0.0117842500000000 ] - [ -0.0053993900000000, 0.0000000000000000, -0.0010346700000000 ] - [ 0.0011796600000000, 0.0000000000000000, 0.0016771000000000 ] - [ -0.0000603800000000, 0.0000000000000000, 0.0000240700000000 ] - [ 0.0005044200000000, -0.0019094900000000, -0.0004189100000000 ] - [ 0.0005044200000000, 0.0019094900000000, -0.0004189100000000 ] - [ -0.0002001800000000, -0.0001384200000000, -0.0045113800000000 ] - [ -0.0002001800000000, 0.0001384200000000, -0.0045113800000000 ] - [ 0.0104766900000000, 0.0000000000000000, -0.0261856800000000 ] - [ 0.0026622900000000, 0.0000000000000000, -0.0045170200000000 ] - [ -0.0036070500000000, 0.0000000000000000, -0.0048963300000000 ] - [ -0.0024141600000000, 0.0000000000000000, -0.0017446600000000 ] - [ 0.0001058400000000, -0.0000422500000000, -0.0003129900000000 ] - [ 0.0001058400000000, 0.0000422500000000, -0.0003129900000000 ] - [ -0.0390993400000000, 0.0000000000000000, 0.2834457200000000 ] - [ 0.0108098100000000, 0.0000000000000000, 0.0362553700000000 ] - [ -0.0072916500000000, 0.0044194800000000, 0.0131186700000000 ] - [ -0.0072916500000000, -0.0044194800000000, 0.0131186700000000 ] - [ -0.0254762500000000, 0.0570806500000000, -0.0404912100000000 ] - [ -0.0254762500000000, -0.0570806500000000, -0.0404912100000000 ] - [ -0.0035620300000000, 0.0000000000000000, -0.0010094300000000 ] - [ -0.0025702900000000, 0.0000000000000000, -0.0009987600000000 ] - [ 0.0468567700000000, 0.0000000000000000, -0.0000576600000000 ] - [ 0.0031940600000000, 0.0000000000000000, 0.0053897100000000 ] - [ -0.0128594300000000, -0.0538986200000000, -0.0351057800000000 ] - [ -0.0128594300000000, 0.0538986200000000, -0.0351057800000000 ] - [ 0.0012802500000000, -0.0002014800000000, 0.0023437600000000 ] - [ 0.0012802500000000, 0.0002014800000000, 0.0023437600000000 ] - [ 0.0619797700000000, 0.0000000000000000, -0.0214250700000000 ] - [ -0.0001925100000000, 0.0000000000000000, 0.0015919100000000 ] - [ 0.0055470800000000, 0.0000000000000000, -0.0034890300000000 ] - [ 0.0005613700000000, 0.0000000000000000, -0.0015608200000000 ] - [ 0.0058424600000000, -0.0063695500000000, -0.0223170200000000 ] - [ 0.0058424600000000, 0.0063695500000000, -0.0223170200000000 ] - [ -0.0094177400000000, -0.0069304200000000, 0.0112434000000000 ] - [ -0.0094177400000000, 0.0069304200000000, 0.0112434000000000 ] - [ 0.0048973800000000, 0.0000000000000000, -0.0000484600000000 ] - [ -0.0006723500000000, 0.0000000000000000, 0.0013068500000000 ]- atom: 105 displacement: [ 0.0099999983100469, 0.0000000000000000, 0.0000058136957938 ] forces: - [ 0.0138986900000000, 0.0000000000000000, -0.0033659300000000 ] - [ 0.0063201500000000, 0.0000000000000000, -0.0018241900000000 ] - [ -0.0104412000000000, 0.0012046000000000, 0.0028379800000000 ] - [ -0.0104412000000000, -0.0012046000000000, 0.0028379800000000 ] - [ -0.0017145700000000, 0.0000000000000000, 0.0003446300000000 ] - [ -0.0010188100000000, 0.0000000000000000, 0.0004489500000000 ] - [ -0.0027524800000000, 0.0046748300000000, -0.0033338600000000 ] - [ -0.0027524800000000, -0.0046748300000000, -0.0033338600000000 ] - [ 0.0184604400000000, 0.0003483900000000, -0.0082928900000000 ] - [ 0.0184604400000000, -0.0003483900000000, -0.0082928900000000 ] - [ 0.0326087000000000, 0.0274649600000000, 0.0182778100000000 ] - [ 0.0033456100000000, 0.0063627400000000, 0.0029949600000000 ] - [ -0.0023573900000000, 0.0018195700000000, -0.0021695600000000 ] - [ -0.0019358000000000, 0.0012854500000000, -0.0018051700000000 ] - [ -0.0023573900000000, -0.0018195700000000, -0.0021695600000000 ] - [ -0.0019358000000000, -0.0012854500000000, -0.0018051700000000 ] - [ 0.0326087000000000, -0.0274649600000000, 0.0182778100000000 ] - [ 0.0033456100000000, -0.0063627400000000, 0.0029949600000000 ] - [ -0.0041121300000000, -0.0000916100000000, -0.0039381300000000 ] - [ -0.0027587500000000, 0.0043826000000000, -0.0034517700000000 ] - [ 0.0228285100000000, 0.0017776400000000, -0.0074895700000000 ] - [ 0.0034729800000000, -0.0005245600000000, 0.0032267100000000 ] - [ 0.0228285100000000, -0.0017776400000000, -0.0074895700000000 ] - [ 0.0034729800000000, 0.0005245600000000, 0.0032267100000000 ] - [ -0.0028973500000000, 0.0004912700000000, -0.0003788800000000 ] - [ -0.0028973500000000, -0.0004912700000000, -0.0003788800000000 ] - [ 0.0142988500000000, 0.0000000000000000, -0.0211740400000000 ] - [ 0.0023681000000000, 0.0000000000000000, 0.0004626200000000 ] - [ -0.0007811500000000, 0.0007176200000000, 0.0017620100000000 ] - [ -0.0002754500000000, -0.0010012100000000, 0.0004398500000000 ] - [ -0.0115278000000000, -0.0112764500000000, -0.0017662800000000 ] - [ -0.0007947200000000, 0.0010044900000000, 0.0003891000000000 ] - [ -0.0115278000000000, 0.0112764500000000, -0.0017662800000000 ] - [ -0.0007947200000000, -0.0010044900000000, 0.0003891000000000 ] - [ -0.0007811500000000, -0.0007176200000000, 0.0017620100000000 ] - [ -0.0002754500000000, 0.0010012100000000, 0.0004398500000000 ] - [ -0.0041121300000000, 0.0000916100000000, -0.0039381300000000 ] - [ -0.0027587500000000, -0.0043826000000000, -0.0034517700000000 ] - [ 0.0004513400000000, 0.0009273300000000, -0.0042360200000000 ] - [ 0.0007332300000000, 0.0026554800000000, -0.0030282600000000 ] - [ 0.0004513400000000, -0.0009273300000000, -0.0042360200000000 ] - [ 0.0007332300000000, -0.0026554800000000, -0.0030282600000000 ] - [ -0.0064120700000000, -0.0002257700000000, 0.0020247200000000 ] - [ -0.0064120700000000, 0.0002257700000000, 0.0020247200000000 ] - [ 0.1584195200000000, 0.0000000000000000, -0.0308456300000000 ] - [ 0.0082086700000000, 0.0000000000000000, -0.0023205300000000 ] - [ -0.0013162300000000, -0.0018618200000000, 0.0011668200000000 ] - [ -0.0013162300000000, 0.0018618200000000, 0.0011668200000000 ] - [ -0.0254366400000000, 0.0000000000000000, 0.0026115800000000 ] - [ -0.0030513500000000, 0.0000000000000000, 0.0008525600000000 ] - [ -0.0111787500000000, 0.0000000000000000, 0.0039199700000000 ] - [ -0.0071648300000000, 0.0000000000000000, 0.0023312000000000 ] - [ -0.0045073500000000, -0.0031747200000000, -0.0022081900000000 ] - [ -0.0029812700000000, -0.0012049100000000, -0.0010562000000000 ] - [ 0.0012744000000000, 0.0024698900000000, -0.0019079300000000 ] - [ 0.0029965900000000, -0.0040893800000000, 0.0028385200000000 ] - [ 0.0012744000000000, -0.0024698900000000, -0.0019079300000000 ] - [ 0.0029965900000000, 0.0040893800000000, 0.0028385200000000 ] - [ -0.0045073500000000, 0.0031747200000000, -0.0022081900000000 ] - [ -0.0029812700000000, 0.0012049100000000, -0.0010562000000000 ] - [ -0.0000216400000000, -0.0179923100000000, 0.0173257800000000 ] - [ 0.0008402500000000, 0.0015811200000000, 0.0004288500000000 ] - [ -0.0029240500000000, 0.0003542500000000, -0.0014414400000000 ] - [ -0.0023437100000000, 0.0002937900000000, -0.0015583100000000 ] - [ -0.0029240500000000, -0.0003542500000000, -0.0014414400000000 ] - [ -0.0023437100000000, -0.0002937900000000, -0.0015583100000000 ] - [ 0.0004029200000000, 0.0000000000000000, -0.0052382600000000 ] - [ 0.0018786800000000, 0.0000000000000000, -0.0002950200000000 ] - [ -0.0061240100000000, -0.0014248000000000, -0.0017778600000000 ] - [ -0.0061240100000000, 0.0014248000000000, -0.0017778600000000 ] - [ -0.0017146600000000, 0.0014635300000000, -0.0006827000000000 ] - [ -0.0006939900000000, -0.0008300800000000, -0.0001661000000000 ] - [ -0.0108216600000000, -0.0092467900000000, -0.0003155100000000 ] - [ 0.0003437600000000, 0.0027920200000000, 0.0000352700000000 ] - [ -0.0108216600000000, 0.0092467900000000, -0.0003155100000000 ] - [ 0.0003437600000000, -0.0027920200000000, 0.0000352700000000 ] - [ -0.0017146600000000, -0.0014635300000000, -0.0006827000000000 ] - [ -0.0006939900000000, 0.0008300800000000, -0.0001661000000000 ] - [ -0.0000216400000000, 0.0179923100000000, 0.0173257800000000 ] - [ 0.0008402500000000, -0.0015811200000000, 0.0004288500000000 ] - [ -0.0021183800000000, -0.0006334300000000, 0.0002087300000000 ] - [ -0.0016345900000000, 0.0019469600000000, -0.0014075400000000 ] - [ -0.0021183800000000, 0.0006334300000000, 0.0002087300000000 ] - [ -0.0016345900000000, -0.0019469600000000, -0.0014075400000000 ] - [ 0.0527075200000000, 0.0000000000000000, 0.0298904500000000 ] - [ -0.0001841600000000, 0.0000000000000000, -0.0010029900000000 ] - [ 0.0019648400000000, -0.0014777900000000, 0.0008947900000000 ] - [ 0.0019648400000000, 0.0014777900000000, 0.0008947900000000 ] - [ 0.0071923600000000, 0.0085428900000000, -0.0000167600000000 ] - [ 0.0071923600000000, -0.0085428900000000, -0.0000167600000000 ] - [ 0.0035211000000000, 0.0000000000000000, 0.0010173300000000 ] - [ -0.0009260600000000, 0.0000000000000000, 0.0003379100000000 ] - [ 0.0065588500000000, 0.0000000000000000, -0.0036085500000000 ] - [ 0.0022690800000000, 0.0000000000000000, -0.0005694000000000 ] - [ -0.0021673000000000, -0.0133617700000000, -0.0075197700000000 ] - [ -0.0021673000000000, 0.0133617700000000, -0.0075197700000000 ] - [ 0.0006063500000000, 0.0085551800000000, 0.0053492600000000 ] - [ 0.0006063500000000, -0.0085551800000000, 0.0053492600000000 ] - [ 0.0056759200000000, 0.0000000000000000, 0.0022264500000000 ] - [ 0.0029974400000000, 0.0000000000000000, 0.0008301600000000 ] - [ -0.0095417300000000, -0.0226756100000000, 0.0243333800000000 ] - [ -0.0095417300000000, 0.0226756100000000, 0.0243333800000000 ] - [ 0.0119191100000000, 0.0000000000000000, 0.0052374900000000 ] - [ 0.0080385700000000, 0.0000000000000000, 0.0037573100000000 ] - [ -0.3671094800000000, 0.0000000000000000, 0.0030340000000000 ] - [ -0.0130883900000000, 0.0000000000000000, -0.0071658400000000 ] - [ 0.0091877200000000, -0.0005786900000000, 0.0023890100000000 ] - [ 0.0091877200000000, 0.0005786900000000, 0.0023890100000000 ] - [ 0.0116262200000000, -0.0107787500000000, 0.0053312400000000 ] - [ 0.0116262200000000, 0.0107787500000000, 0.0053312400000000 ] - [ -0.0060741400000000, 0.0000000000000000, 0.0050085600000000 ] - [ -0.0032205100000000, 0.0000000000000000, 0.0027968700000000 ] - [ 0.0203218500000000, 0.0000000000000000, -0.0033457000000000 ] - [ 0.0095300300000000, 0.0000000000000000, 0.0003967400000000 ] - [ -0.0158257500000000, 0.0153940900000000, -0.0075962600000000 ] - [ -0.0158257500000000, -0.0153940900000000, -0.0075962600000000 ] - [ 0.0129649100000000, 0.0010610900000000, 0.0012227900000000 ] - [ 0.0129649100000000, -0.0010610900000000, 0.0012227900000000 ] - [ -0.0183633800000000, 0.0000000000000000, 0.0164914900000000 ] - [ -0.0085342800000000, 0.0000000000000000, -0.0038873200000000 ] - [ 0.0902788100000000, 0.0000000000000000, -0.0493664500000000 ] - [ -0.0045768000000000, 0.0000000000000000, -0.0007407900000000 ] - [ 0.0068985500000000, 0.0030276600000000, 0.0004445800000000 ] - [ 0.0068985500000000, -0.0030276600000000, 0.0004445800000000 ]- atom: 105 displacement: [ -0.0099999983100469, 0.0000000000000000, -0.0000058136957938 ] forces: - [ -0.0139625800000000, 0.0000000000000000, 0.0035111200000000 ] - [ -0.0064828600000000, 0.0000000000000000, 0.0020025500000000 ] - [ 0.0105775400000000, -0.0011916600000000, -0.0030109200000000 ] - [ 0.0105775400000000, 0.0011916600000000, -0.0030109200000000 ] - [ 0.0024918100000000, 0.0000000000000000, 0.0003488300000000 ] - [ 0.0017907800000000, 0.0000000000000000, 0.0002480800000000 ] - [ 0.0020104000000000, -0.0046213800000000, 0.0025910700000000 ] - [ 0.0020104000000000, 0.0046213800000000, 0.0025910700000000 ] - [ -0.0184143300000000, -0.0003492200000000, 0.0082718700000000 ] - [ -0.0184143300000000, 0.0003492200000000, 0.0082718700000000 ] - [ -0.0335899100000000, -0.0276151900000000, -0.0179083300000000 ] - [ -0.0037074800000000, -0.0068083100000000, -0.0029821200000000 ] - [ 0.0027320700000000, -0.0022348600000000, 0.0021344400000000 ] - [ 0.0023134300000000, -0.0017075600000000, 0.0017761100000000 ] - [ 0.0027320700000000, 0.0022348600000000, 0.0021344400000000 ] - [ 0.0023134300000000, 0.0017075600000000, 0.0017761100000000 ] - [ -0.0335899100000000, 0.0276151900000000, -0.0179083300000000 ] - [ -0.0037074800000000, 0.0068083100000000, -0.0029821200000000 ] - [ 0.0039412000000000, -0.0002543300000000, 0.0043592900000000 ] - [ 0.0026048300000000, -0.0046807800000000, 0.0038790500000000 ] - [ -0.0232459200000000, -0.0013829700000000, 0.0078791600000000 ] - [ -0.0034562300000000, 0.0011055900000000, -0.0032203200000000 ] - [ -0.0232459200000000, 0.0013829700000000, 0.0078791600000000 ] - [ -0.0034562300000000, -0.0011055900000000, -0.0032203200000000 ] - [ 0.0027799200000000, -0.0004866800000000, 0.0000211500000000 ] - [ 0.0027799200000000, 0.0004866800000000, 0.0000211500000000 ] - [ -0.0115203000000000, 0.0000000000000000, 0.0205749800000000 ] - [ -0.0022296100000000, 0.0000000000000000, -0.0000986400000000 ] - [ 0.0010194600000000, -0.0011723700000000, -0.0018023000000000 ] - [ 0.0005169100000000, 0.0005314300000000, -0.0004974100000000 ] - [ 0.0112346000000000, 0.0107841700000000, 0.0018202700000000 ] - [ 0.0005630200000000, -0.0014483400000000, -0.0003189800000000 ] - [ 0.0112346000000000, -0.0107841700000000, 0.0018202700000000 ] - [ 0.0005630200000000, 0.0014483400000000, -0.0003189800000000 ] - [ 0.0010194600000000, 0.0011723700000000, -0.0018023000000000 ] - [ 0.0005169100000000, -0.0005314300000000, -0.0004974100000000 ] - [ 0.0039412000000000, 0.0002543300000000, 0.0043592900000000 ] - [ 0.0026048300000000, 0.0046807800000000, 0.0038790500000000 ] - [ -0.0002786800000000, -0.0006154600000000, 0.0037962400000000 ] - [ -0.0005859800000000, -0.0023575700000000, 0.0026107100000000 ] - [ -0.0002786800000000, 0.0006154600000000, 0.0037962400000000 ] - [ -0.0005859800000000, 0.0023575700000000, 0.0026107100000000 ] - [ 0.0061837900000000, 0.0002264000000000, -0.0018270500000000 ] - [ 0.0061837900000000, -0.0002264000000000, -0.0018270500000000 ] - [ -0.1709090300000000, 0.0000000000000000, 0.0350897100000000 ] - [ -0.0080056000000000, 0.0000000000000000, 0.0021323600000000 ] - [ 0.0020306000000000, 0.0018557000000000, -0.0004609200000000 ] - [ 0.0020306000000000, -0.0018557000000000, -0.0004609200000000 ] - [ 0.0245472000000000, 0.0000000000000000, -0.0033020000000000 ] - [ 0.0022741500000000, 0.0000000000000000, -0.0015497800000000 ] - [ 0.0111252300000000, 0.0000000000000000, -0.0039051000000000 ] - [ 0.0071328800000000, 0.0000000000000000, -0.0023231700000000 ] - [ 0.0041010200000000, 0.0027316400000000, 0.0022156800000000 ] - [ 0.0025829100000000, 0.0007683500000000, 0.0010687400000000 ] - [ -0.0009212800000000, -0.0028427100000000, 0.0018283900000000 ] - [ -0.0026042500000000, 0.0036388000000000, -0.0028463800000000 ] - [ -0.0009212800000000, 0.0028427100000000, 0.0018283900000000 ] - [ -0.0026042500000000, -0.0036388000000000, -0.0028463800000000 ] - [ 0.0041010200000000, -0.0027316400000000, 0.0022156800000000 ] - [ 0.0025829100000000, -0.0007683500000000, 0.0010687400000000 ] - [ -0.0000590500000000, 0.0175609500000000, -0.0168096600000000 ] - [ -0.0009888900000000, -0.0018965300000000, 0.0000093700000000 ] - [ 0.0029118400000000, 0.0002370300000000, 0.0014379700000000 ] - [ 0.0023344400000000, 0.0002930300000000, 0.0015540200000000 ] - [ 0.0029118400000000, -0.0002370300000000, 0.0014379700000000 ] - [ 0.0023344400000000, -0.0002930300000000, 0.0015540200000000 ] - [ -0.0005482600000000, 0.0000000000000000, 0.0049378300000000 ] - [ -0.0019938100000000, 0.0000000000000000, -0.0000710500000000 ] - [ 0.0062120900000000, 0.0014210700000000, 0.0021321800000000 ] - [ 0.0062120900000000, -0.0014210700000000, 0.0021321800000000 ] - [ 0.0019414800000000, -0.0019208800000000, 0.0006165300000000 ] - [ 0.0009177700000000, 0.0003713800000000, 0.0000971800000000 ] - [ 0.0106208100000000, 0.0087982500000000, 0.0003578700000000 ] - [ -0.0005838400000000, -0.0032485200000000, 0.0000331400000000 ] - [ 0.0106208100000000, -0.0087982500000000, 0.0003578700000000 ] - [ -0.0005838400000000, 0.0032485200000000, 0.0000331400000000 ] - [ 0.0019414800000000, 0.0019208800000000, 0.0006165300000000 ] - [ 0.0009177700000000, -0.0003713800000000, 0.0000971800000000 ] - [ -0.0000590500000000, -0.0175609500000000, -0.0168096600000000 ] - [ -0.0009888900000000, 0.0018965300000000, 0.0000093700000000 ] - [ 0.0022495200000000, 0.0009670200000000, -0.0006632800000000 ] - [ 0.0017647700000000, -0.0016086400000000, 0.0009467400000000 ] - [ 0.0022495200000000, -0.0009670200000000, -0.0006632800000000 ] - [ 0.0017647700000000, 0.0016086400000000, 0.0009467400000000 ] - [ -0.0508979900000000, 0.0000000000000000, -0.0301782300000000 ] - [ 0.0012054700000000, 0.0000000000000000, 0.0002785100000000 ] - [ -0.0030238400000000, 0.0014653900000000, -0.0001806500000000 ] - [ -0.0030238400000000, -0.0014653900000000, -0.0001806500000000 ] - [ -0.0061391300000000, -0.0085495900000000, -0.0006823400000000 ] - [ -0.0061391300000000, 0.0085495900000000, -0.0006823400000000 ] - [ -0.0045703600000000, 0.0000000000000000, -0.0003129900000000 ] - [ -0.0001129700000000, 0.0000000000000000, 0.0003850100000000 ] - [ -0.0070390700000000, 0.0000000000000000, 0.0031804100000000 ] - [ -0.0027805000000000, 0.0000000000000000, 0.0001682300000000 ] - [ 0.0026237000000000, 0.0132408900000000, 0.0078589700000000 ] - [ 0.0026237000000000, -0.0132408900000000, 0.0078589700000000 ] - [ -0.0010999300000000, -0.0085859600000000, -0.0057887600000000 ] - [ -0.0010999300000000, 0.0085859600000000, -0.0057887600000000 ] - [ -0.0051478600000000, 0.0000000000000000, -0.0018257500000000 ] - [ -0.0024669300000000, 0.0000000000000000, -0.0004353200000000 ] - [ 0.0100945500000000, 0.0226866300000000, -0.0236358600000000 ] - [ 0.0100945500000000, -0.0226866300000000, -0.0236358600000000 ] - [ -0.0125694700000000, 0.0000000000000000, -0.0058576300000000 ] - [ -0.0087121700000000, 0.0000000000000000, -0.0044043000000000 ] - [ 0.3778476400000000, 0.0000000000000000, -0.0089460900000000 ] - [ 0.0120889700000000, 0.0000000000000000, 0.0068600500000000 ] - [ -0.0081916100000000, 0.0005708200000000, -0.0020783500000000 ] - [ -0.0081916100000000, -0.0005708200000000, -0.0020783500000000 ] - [ -0.0117643700000000, 0.0106761500000000, -0.0063666100000000 ] - [ -0.0117643700000000, -0.0106761500000000, -0.0063666100000000 ] - [ 0.0061708500000000, 0.0000000000000000, -0.0039344800000000 ] - [ 0.0033681100000000, 0.0000000000000000, -0.0017383400000000 ] - [ -0.0195301500000000, 0.0000000000000000, 0.0040186900000000 ] - [ -0.0087840200000000, 0.0000000000000000, 0.0002954900000000 ] - [ 0.0151019900000000, -0.0153146300000000, 0.0069296500000000 ] - [ 0.0151019900000000, 0.0153146300000000, 0.0069296500000000 ] - [ -0.0138596900000000, -0.0010582500000000, -0.0015234500000000 ] - [ -0.0138596900000000, 0.0010582500000000, -0.0015234500000000 ] - [ 0.0193778700000000, 0.0000000000000000, -0.0158109500000000 ] - [ 0.0094658900000000, 0.0000000000000000, 0.0041756200000000 ] - [ -0.0906120500000000, 0.0000000000000000, 0.0482963400000000 ] - [ 0.0043989500000000, 0.0000000000000000, -0.0003279600000000 ] - [ -0.0066553900000000, -0.0030293900000000, 0.0006368800000000 ] - [ -0.0066553900000000, 0.0030293900000000, 0.0006368800000000 ]- atom: 105 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000518700000000, 0.0066375700000000, 0.0000861000000000 ] - [ -0.0000956900000000, -0.0016639500000000, 0.0000954400000000 ] - [ 0.0024272300000000, -0.0001922300000000, -0.0015555800000000 ] - [ -0.0022610000000000, -0.0001914700000000, 0.0013781800000000 ] - [ 0.0003791100000000, 0.0020725900000000, 0.0003501600000000 ] - [ 0.0003734400000000, -0.0017904700000000, 0.0003512200000000 ] - [ 0.0166561700000000, -0.0049370400000000, 0.0003563300000000 ] - [ -0.0174287600000000, -0.0049400800000000, -0.0010900900000000 ] - [ -0.0149722000000000, -0.0036759500000000, 0.0109303300000000 ] - [ 0.0150041000000000, -0.0036982200000000, -0.0109806100000000 ] - [ 0.0183558500000000, 0.0588327100000000, 0.0292762100000000 ] - [ -0.0030167000000000, -0.0232178600000000, -0.0077051000000000 ] - [ 0.0001664800000000, 0.0005061000000000, -0.0003570900000000 ] - [ 0.0002054500000000, -0.0009439700000000, 0.0003237700000000 ] - [ 0.0002126100000000, 0.0009302900000000, 0.0003328100000000 ] - [ 0.0001731100000000, -0.0005215700000000, -0.0003495500000000 ] - [ -0.0168249200000000, 0.0557575600000000, -0.0258126400000000 ] - [ 0.0026228400000000, -0.0228004600000000, 0.0076767400000000 ] - [ -0.0013091300000000, 0.0022661700000000, -0.0014699500000000 ] - [ 0.0017516300000000, -0.0030043000000000, 0.0021827100000000 ] - [ -0.0023825300000000, 0.0567550700000000, 0.0000109400000000 ] - [ -0.0008188400000000, -0.0085125500000000, -0.0006865100000000 ] - [ 0.0021613400000000, 0.0548343800000000, -0.0017732900000000 ] - [ 0.0008309300000000, -0.0091410900000000, 0.0007050600000000 ] - [ 0.0009070800000000, -0.0000357500000000, 0.0003765100000000 ] - [ -0.0010304800000000, -0.0000358500000000, -0.0007398800000000 ] - [ -0.0003810700000000, 0.0168170600000000, 0.0002243800000000 ] - [ 0.0000565400000000, -0.0042950400000000, 0.0001772800000000 ] - [ 0.0017097800000000, 0.0014260400000000, -0.0004363200000000 ] - [ -0.0009953300000000, -0.0024100800000000, 0.0015095500000000 ] - [ 0.0008125000000000, 0.0037988200000000, -0.0002810500000000 ] - [ 0.0004284200000000, -0.0030925600000000, 0.0002850800000000 ] - [ -0.0010846000000000, 0.0042711800000000, 0.0003164200000000 ] - [ -0.0006735500000000, -0.0026359200000000, -0.0002244200000000 ] - [ -0.0014765700000000, 0.0018954900000000, 0.0003929400000000 ] - [ 0.0012215100000000, -0.0019481100000000, -0.0015601400000000 ] - [ 0.0011590600000000, 0.0025861800000000, 0.0019097100000000 ] - [ -0.0018999900000000, -0.0026815500000000, -0.0017388600000000 ] - [ -0.0069635800000000, 0.0126223000000000, -0.0171724000000000 ] - [ 0.0051706200000000, -0.0130306700000000, 0.0110354100000000 ] - [ 0.0070991100000000, 0.0123154200000000, 0.0167068500000000 ] - [ -0.0050244300000000, -0.0133710400000000, -0.0114677700000000 ] - [ -0.0002059100000000, 0.0000461900000000, 0.0002157500000000 ] - [ -0.0000072500000000, 0.0000475800000000, -0.0000239200000000 ] - [ 0.0005729300000000, 0.0189790600000000, -0.0001962500000000 ] - [ 0.0001153500000000, -0.0023612200000000, -0.0000995200000000 ] - [ -0.0024308700000000, 0.0000380200000000, 0.0008794300000000 ] - [ 0.0031696500000000, 0.0000495300000000, -0.0001672400000000 ] - [ -0.0004185800000000, 0.0010538000000000, -0.0003409700000000 ] - [ -0.0003764300000000, -0.0008686300000000, -0.0003492500000000 ] - [ -0.0000158600000000, 0.0004363400000000, 0.0000060900000000 ] - [ -0.0000095500000000, -0.0005234300000000, 0.0000031400000000 ] - [ -0.0000158200000000, 0.0004242400000000, 0.0003967400000000 ] - [ -0.0003743600000000, -0.0008462300000000, -0.0003922400000000 ] - [ -0.0017631300000000, 0.0095019700000000, 0.0000137200000000 ] - [ 0.0004381200000000, -0.0046693700000000, 0.0026898900000000 ] - [ 0.0021335300000000, 0.0098805600000000, -0.0000770800000000 ] - [ -0.0000330400000000, -0.0042049100000000, -0.0026786300000000 ] - [ -0.0003823400000000, 0.0008602700000000, -0.0003821700000000 ] - [ -0.0000185400000000, -0.0004180700000000, 0.0004118000000000 ] - [ -0.0022679100000000, 0.0038556900000000, -0.0026640500000000 ] - [ 0.0014749200000000, -0.0030111100000000, 0.0020518900000000 ] - [ 0.0000706000000000, 0.0005336300000000, -0.0001391100000000 ] - [ -0.0000885100000000, 0.0000573800000000, 0.0001426600000000 ] - [ -0.0000796000000000, -0.0000508900000000, 0.0001345600000000 ] - [ 0.0000810800000000, -0.0005304400000000, -0.0001475900000000 ] - [ -0.0000436300000000, 0.0055050800000000, -0.0001706500000000 ] - [ -0.0000517500000000, -0.0024328600000000, -0.0001778400000000 ] - [ -0.0002373700000000, -0.0000669200000000, -0.0000200600000000 ] - [ 0.0003312100000000, -0.0000594500000000, 0.0003767500000000 ] - [ -0.0001785300000000, 0.0009439600000000, 0.0001571600000000 ] - [ -0.0002528300000000, -0.0013669500000000, -0.0006005600000000 ] - [ -0.0012922900000000, 0.0007032100000000, 0.0009155400000000 ] - [ 0.0006063800000000, -0.0013562400000000, -0.0008495300000000 ] - [ 0.0010069900000000, 0.0012107800000000, -0.0008561600000000 ] - [ -0.0008304300000000, -0.0009099100000000, 0.0009097300000000 ] - [ 0.0004106400000000, 0.0013947300000000, -0.0002214600000000 ] - [ 0.0004902200000000, -0.0009057600000000, 0.0005383400000000 ] - [ 0.0021226300000000, 0.0042658700000000, 0.0031914100000000 ] - [ -0.0016128900000000, -0.0026942300000000, -0.0016075600000000 ] - [ -0.0002425400000000, 0.0008285600000000, -0.0006857100000000 ] - [ 0.0003304200000000, -0.0004618100000000, 0.0002321900000000 ] - [ 0.0003780200000000, 0.0005042000000000, 0.0002388900000000 ] - [ -0.0001931100000000, -0.0007973700000000, -0.0006850800000000 ] - [ 0.0005532800000000, -0.0159582300000000, -0.0002429400000000 ] - [ 0.0005301900000000, 0.0076109700000000, -0.0003535100000000 ] - [ -0.0030218700000000, 0.0004692900000000, -0.0006725300000000 ] - [ 0.0019801900000000, 0.0004656300000000, 0.0013895600000000 ] - [ 0.0020042000000000, 0.0003526300000000, -0.0006604200000000 ] - [ -0.0009384300000000, 0.0003132400000000, -0.0000569000000000 ] - [ -0.0005217200000000, -0.0010434900000000, 0.0003504300000000 ] - [ -0.0005286800000000, 0.0023569400000000, 0.0003555000000000 ] - [ -0.0002467200000000, -0.0011831300000000, -0.0002037400000000 ] - [ -0.0002520400000000, 0.0012671700000000, -0.0001989300000000 ] - [ -0.0155007100000000, 0.0124200100000000, 0.0079312300000000 ] - [ 0.0161851500000000, 0.0125816800000000, -0.0076395400000000 ] - [ 0.0100335100000000, 0.0066402200000000, 0.0041731900000000 ] - [ -0.0106385400000000, 0.0066565600000000, -0.0046060400000000 ] - [ 0.0002663900000000, -0.0007945900000000, 0.0002024400000000 ] - [ 0.0002597300000000, 0.0007950800000000, 0.0001992700000000 ] - [ -0.0203058400000000, 0.0586334000000000, -0.0593841300000000 ] - [ 0.0211040000000000, 0.0588374400000000, 0.0603507600000000 ] - [ -0.0003347300000000, -0.0037285100000000, -0.0003347000000000 ] - [ -0.0003364600000000, 0.0043991700000000, -0.0003359000000000 ] - [ -0.0025080200000000, -0.2905860500000000, -0.0018374500000000 ] - [ -0.0004951900000000, 0.0304068500000000, -0.0001416100000000 ] - [ -0.0000811900000000, -0.0000227200000000, 0.0006601900000000 ] - [ 0.0010697200000000, -0.0000241200000000, -0.0003497700000000 ] - [ -0.0115792300000000, -0.0002110000000000, 0.0012957500000000 ] - [ 0.0114275700000000, -0.0002042700000000, -0.0023563900000000 ] - [ 0.0000809400000000, -0.0233464100000000, 0.0005466700000000 ] - [ 0.0000935500000000, 0.0151447900000000, 0.0005284100000000 ] - [ 0.0003783500000000, -0.0016144200000000, 0.0003334500000000 ] - [ 0.0003589300000000, 0.0016002300000000, 0.0003398600000000 ] - [ 0.0135444100000000, 0.0009831200000000, -0.0051035000000000 ] - [ -0.0143037200000000, 0.0008815900000000, 0.0044044500000000 ] - [ -0.0015221300000000, 0.0000598500000000, -0.0001137800000000 ] - [ 0.0005971200000000, 0.0000542000000000, -0.0001862500000000 ] - [ 0.0004448400000000, -0.0861064300000000, 0.0001659500000000 ] - [ 0.0004628600000000, 0.0113615300000000, 0.0001141900000000 ] - [ 0.0001353500000000, -0.0093254900000000, -0.0006630900000000 ] - [ -0.0001122000000000, 0.0061308500000000, -0.0005331500000000 ] - [ 0.0017590000000000, -0.0002014000000000, 0.0005612800000000 ] - [ -0.0015451900000000, -0.0002141900000000, 0.0005097300000000 ]- atom: 105 displacement: [ -0.0011848924261905, 0.0000000000000000, 0.0099295533604667 ] forces: - [ 0.0255460800000000, 0.0000000000000000, -0.0182463300000000 ] - [ 0.0036561800000000, 0.0000000000000000, -0.0021457300000000 ] - [ -0.0006182200000000, -0.0002651800000000, 0.0008533800000000 ] - [ -0.0006182200000000, 0.0002651800000000, 0.0008533800000000 ] - [ 0.0019634100000000, 0.0000000000000000, -0.0004544400000000 ] - [ -0.0017377200000000, 0.0000000000000000, -0.0001311900000000 ] - [ -0.0130070200000000, 0.0028003200000000, 0.0006545900000000 ] - [ -0.0130070200000000, -0.0028003200000000, 0.0006545900000000 ] - [ 0.0129177800000000, 0.0023884900000000, -0.0099230400000000 ] - [ 0.0129177800000000, -0.0023884900000000, -0.0099230400000000 ] - [ 0.0049567300000000, 0.0230247700000000, 0.0318882100000000 ] - [ 0.0012903200000000, 0.0109356900000000, 0.0058567100000000 ] - [ 0.0000713100000000, -0.0001639200000000, -0.0001847100000000 ] - [ -0.0003196200000000, 0.0004624100000000, -0.0005966700000000 ] - [ 0.0000713100000000, 0.0001639200000000, -0.0001847100000000 ] - [ -0.0003196200000000, -0.0004624100000000, -0.0005966700000000 ] - [ 0.0049567300000000, -0.0230247700000000, 0.0318882100000000 ] - [ 0.0012903200000000, -0.0109356900000000, 0.0058567100000000 ] - [ -0.0001760500000000, 0.0014257900000000, 0.0000784000000000 ] - [ -0.0010981900000000, 0.0000127800000000, -0.0000336300000000 ] - [ -0.0002632400000000, -0.0364728200000000, 0.0459795600000000 ] - [ 0.0006342500000000, -0.0045228800000000, 0.0034471500000000 ] - [ -0.0002632400000000, 0.0364728200000000, 0.0459795600000000 ] - [ 0.0006342500000000, 0.0045228800000000, 0.0034471500000000 ] - [ -0.0000587500000000, -0.0004407800000000, -0.0005619500000000 ] - [ -0.0000587500000000, 0.0004407800000000, -0.0005619500000000 ] - [ 0.0016474100000000, 0.0000000000000000, 0.0256083200000000 ] - [ -0.0006756000000000, 0.0000000000000000, 0.0025730800000000 ] - [ 0.0020050900000000, -0.0011947600000000, -0.0031373500000000 ] - [ -0.0001278300000000, 0.0013299000000000, -0.0019633400000000 ] - [ 0.0039264200000000, 0.0040319300000000, 0.0033244600000000 ] - [ -0.0002677100000000, -0.0008297800000000, 0.0016122800000000 ] - [ 0.0039264200000000, -0.0040319300000000, 0.0033244600000000 ] - [ -0.0002677100000000, 0.0008297800000000, 0.0016122800000000 ] - [ 0.0020050900000000, 0.0011947600000000, -0.0031373500000000 ] - [ -0.0001278300000000, -0.0013299000000000, -0.0019633400000000 ] - [ -0.0001760500000000, -0.0014257900000000, 0.0000784000000000 ] - [ -0.0010981900000000, -0.0000127800000000, -0.0000336300000000 ] - [ -0.0040669700000000, 0.0070712000000000, -0.0123393800000000 ] - [ -0.0037379500000000, 0.0073071900000000, -0.0074443600000000 ] - [ -0.0040669700000000, -0.0070712000000000, -0.0123393800000000 ] - [ -0.0037379500000000, -0.0073071900000000, -0.0074443600000000 ] - [ -0.0016750800000000, -0.0002948700000000, 0.0004503200000000 ] - [ -0.0016750800000000, 0.0002948700000000, 0.0004503200000000 ] - [ -0.0706238400000000, 0.0000000000000000, 0.0337184000000000 ] - [ 0.0020660400000000, 0.0000000000000000, 0.0002927000000000 ] - [ 0.0005110700000000, -0.0008909100000000, -0.0022594600000000 ] - [ 0.0005110700000000, 0.0008909100000000, -0.0022594600000000 ] - [ 0.0082853800000000, 0.0000000000000000, -0.0013010300000000 ] - [ 0.0000123400000000, 0.0000000000000000, -0.0004283800000000 ] - [ 0.0006494600000000, 0.0000000000000000, -0.0005130800000000 ] - [ -0.0013824700000000, 0.0000000000000000, 0.0002494400000000 ] - [ 0.0002762300000000, -0.0000201900000000, -0.0000671300000000 ] - [ -0.0002025700000000, -0.0004978300000000, -0.0002995200000000 ] - [ -0.0086314600000000, 0.0179051000000000, -0.0186225300000000 ] - [ 0.0007179200000000, -0.0004585500000000, -0.0026689900000000 ] - [ -0.0086314600000000, -0.0179051000000000, -0.0186225300000000 ] - [ 0.0007179200000000, 0.0004585500000000, -0.0026689900000000 ] - [ 0.0002762300000000, 0.0000201900000000, -0.0000671300000000 ] - [ -0.0002025700000000, 0.0004978300000000, -0.0002995200000000 ] - [ 0.0011817800000000, 0.0060624700000000, -0.0074786200000000 ] - [ -0.0001574600000000, 0.0005313600000000, -0.0015380100000000 ] - [ 0.0000710800000000, 0.0000802200000000, 0.0002126200000000 ] - [ -0.0000311200000000, 0.0003151400000000, 0.0002809300000000 ] - [ 0.0000710800000000, -0.0000802200000000, 0.0002126200000000 ] - [ -0.0000311200000000, -0.0003151400000000, 0.0002809300000000 ] - [ -0.0119136300000000, 0.0000000000000000, -0.0070222500000000 ] - [ 0.0004404900000000, 0.0000000000000000, -0.0010693500000000 ] - [ 0.0007467000000000, 0.0003798000000000, 0.0008903400000000 ] - [ 0.0007467000000000, -0.0003798000000000, 0.0008903400000000 ] - [ -0.0028161800000000, 0.0019918800000000, -0.0006405200000000 ] - [ -0.0007062700000000, -0.0005957500000000, -0.0008161700000000 ] - [ 0.0029542800000000, 0.0032851100000000, 0.0017201100000000 ] - [ -0.0009229100000000, -0.0005562200000000, 0.0013535700000000 ] - [ 0.0029542800000000, -0.0032851100000000, 0.0017201100000000 ] - [ -0.0009229100000000, 0.0005562200000000, 0.0013535700000000 ] - [ -0.0028161800000000, -0.0019918800000000, -0.0006405200000000 ] - [ -0.0007062700000000, 0.0005957500000000, -0.0008161700000000 ] - [ 0.0011817800000000, -0.0060624700000000, -0.0074786200000000 ] - [ -0.0001574600000000, -0.0005313600000000, -0.0015380100000000 ] - [ -0.0006330800000000, 0.0008712700000000, -0.0020881100000000 ] - [ -0.0005878100000000, 0.0012612800000000, -0.0015146500000000 ] - [ -0.0006330800000000, -0.0008712700000000, -0.0020881100000000 ] - [ -0.0005878100000000, -0.0012612800000000, -0.0015146500000000 ] - [ 0.0036411200000000, 0.0000000000000000, -0.0193849100000000 ] - [ 0.0027627100000000, 0.0000000000000000, -0.0030090800000000 ] - [ 0.0001939800000000, 0.0016438700000000, 0.0025809800000000 ] - [ 0.0001939800000000, -0.0016438700000000, 0.0025809800000000 ] - [ -0.0003270100000000, -0.0027025000000000, -0.0009439000000000 ] - [ -0.0003270100000000, 0.0027025000000000, -0.0009439000000000 ] - [ 0.0073778300000000, 0.0000000000000000, 0.0060454100000000 ] - [ -0.0003587800000000, 0.0000000000000000, 0.0014028500000000 ] - [ -0.0017342300000000, 0.0000000000000000, 0.0004903100000000 ] - [ -0.0000747300000000, 0.0000000000000000, -0.0001657600000000 ] - [ -0.0087020900000000, 0.0118687600000000, -0.0056671000000000 ] - [ -0.0087020900000000, -0.0118687600000000, -0.0056671000000000 ] - [ 0.0089697700000000, 0.0074625200000000, -0.0023515600000000 ] - [ 0.0089697700000000, -0.0074625200000000, -0.0023515600000000 ] - [ 0.0007880900000000, 0.0000000000000000, -0.0016537100000000 ] - [ 0.0007770300000000, 0.0000000000000000, -0.0004356500000000 ] - [ 0.0142858300000000, -0.0397549400000000, 0.0391924400000000 ] - [ 0.0142858300000000, 0.0397549400000000, 0.0391924400000000 ] - [ -0.0004325500000000, 0.0000000000000000, 0.0003244800000000 ] - [ 0.0023137100000000, 0.0000000000000000, 0.0007595200000000 ] - [ 0.0502331100000000, 0.0000000000000000, -0.3160731500000000 ] - [ -0.0059117500000000, 0.0000000000000000, -0.0169245000000000 ] - [ 0.0016598300000000, 0.0005658900000000, 0.0000531000000000 ] - [ 0.0016598300000000, -0.0005658900000000, 0.0000531000000000 ] - [ 0.0065926200000000, 0.0033926400000000, -0.0040196900000000 ] - [ 0.0065926200000000, -0.0033926400000000, -0.0040196900000000 ] - [ -0.0140624600000000, 0.0000000000000000, 0.0228872600000000 ] - [ 0.0015383800000000, 0.0000000000000000, 0.0091470800000000 ] - [ -0.0024895700000000, 0.0000000000000000, 0.0040453900000000 ] - [ 0.0014312000000000, 0.0000000000000000, 0.0019973200000000 ] - [ -0.0062268400000000, 0.0049788800000000, 0.0219626000000000 ] - [ -0.0062268400000000, -0.0049788800000000, 0.0219626000000000 ] - [ -0.0006990500000000, -0.0001621300000000, -0.0005827800000000 ] - [ -0.0006990500000000, 0.0001621300000000, -0.0005827800000000 ] - [ 0.0184677800000000, 0.0000000000000000, 0.1042767300000000 ] - [ -0.0024499300000000, 0.0000000000000000, 0.0033393600000000 ] - [ -0.0388501600000000, 0.0000000000000000, 0.0160680700000000 ] - [ -0.0017975800000000, 0.0000000000000000, -0.0003200200000000 ] - [ 0.0025460900000000, 0.0016149000000000, 0.0033778400000000 ] - [ 0.0025460900000000, -0.0016149000000000, 0.0033778400000000 ]- atom: 105 displacement: [ 0.0011848924261905, 0.0000000000000000, -0.0099295533604667 ] forces: - [ -0.0258756900000000, 0.0000000000000000, 0.0185561800000000 ] - [ -0.0038862400000000, 0.0000000000000000, 0.0023563900000000 ] - [ 0.0008207900000000, 0.0002662300000000, -0.0010522200000000 ] - [ 0.0008207900000000, -0.0002662300000000, -0.0010522200000000 ] - [ -0.0012235100000000, 0.0000000000000000, 0.0011527800000000 ] - [ 0.0025126900000000, 0.0000000000000000, 0.0008305100000000 ] - [ 0.0123498900000000, -0.0028205800000000, -0.0013587500000000 ] - [ 0.0123498900000000, 0.0028205800000000, -0.0013587500000000 ] - [ -0.0130457600000000, -0.0023760700000000, 0.0099984300000000 ] - [ -0.0130457600000000, 0.0023760700000000, 0.0099984300000000 ] - [ -0.0043165500000000, -0.0211721700000000, -0.0303608700000000 ] - [ -0.0016874800000000, -0.0114600600000000, -0.0058911000000000 ] - [ 0.0003107100000000, -0.0002655500000000, 0.0001659100000000 ] - [ 0.0007057900000000, -0.0008990000000000, 0.0005825800000000 ] - [ 0.0003107100000000, 0.0002655500000000, 0.0001659100000000 ] - [ 0.0007057900000000, 0.0008990000000000, 0.0005825800000000 ] - [ -0.0043165500000000, 0.0211721700000000, -0.0303608700000000 ] - [ -0.0016874800000000, 0.0114600600000000, -0.0058911000000000 ] - [ 0.0000325500000000, -0.0017697200000000, 0.0003773100000000 ] - [ 0.0009636500000000, -0.0003463800000000, 0.0004899900000000 ] - [ -0.0001433100000000, 0.0394754800000000, -0.0483660700000000 ] - [ -0.0006391200000000, 0.0051595900000000, -0.0034787900000000 ] - [ -0.0001433100000000, -0.0394754800000000, -0.0483660700000000 ] - [ -0.0006391200000000, -0.0051595900000000, -0.0034787900000000 ] - [ -0.0000577100000000, 0.0004449000000000, 0.0001928100000000 ] - [ -0.0000577100000000, -0.0004449000000000, 0.0001928100000000 ] - [ -0.0019443800000000, 0.0000000000000000, -0.0254895600000000 ] - [ 0.0007982800000000, 0.0000000000000000, -0.0022214300000000 ] - [ -0.0017867700000000, 0.0007451400000000, 0.0030963200000000 ] - [ 0.0003721000000000, -0.0018077400000000, 0.0019095300000000 ] - [ -0.0041879300000000, -0.0045124700000000, -0.0032926500000000 ] - [ 0.0000272700000000, 0.0003734000000000, -0.0015528900000000 ] - [ -0.0041879300000000, 0.0045124700000000, -0.0032926500000000 ] - [ 0.0000272700000000, -0.0003734000000000, -0.0015528900000000 ] - [ -0.0017867700000000, -0.0007451400000000, 0.0030963200000000 ] - [ 0.0003721000000000, 0.0018077400000000, 0.0019095300000000 ] - [ 0.0000325500000000, 0.0017697200000000, 0.0003773100000000 ] - [ 0.0009636500000000, 0.0003463800000000, 0.0004899900000000 ] - [ 0.0042285400000000, -0.0068219500000000, 0.0119810100000000 ] - [ 0.0039207800000000, -0.0070491600000000, 0.0070625300000000 ] - [ 0.0042285400000000, 0.0068219500000000, 0.0119810100000000 ] - [ 0.0039207800000000, 0.0070491600000000, 0.0070625300000000 ] - [ 0.0014929400000000, 0.0002975400000000, -0.0002626200000000 ] - [ 0.0014929400000000, -0.0002975400000000, -0.0002626200000000 ] - [ 0.0690312500000000, 0.0000000000000000, -0.0340874700000000 ] - [ -0.0018948200000000, 0.0000000000000000, -0.0004826400000000 ] - [ 0.0002462300000000, 0.0009002000000000, 0.0029771000000000 ] - [ 0.0002462300000000, -0.0009002000000000, 0.0029771000000000 ] - [ -0.0090796700000000, 0.0000000000000000, 0.0006251700000000 ] - [ -0.0007667900000000, 0.0000000000000000, -0.0002652000000000 ] - [ -0.0006521300000000, 0.0000000000000000, 0.0005162400000000 ] - [ 0.0013950100000000, 0.0000000000000000, -0.0002515900000000 ] - [ -0.0006600900000000, -0.0004081200000000, 0.0000899500000000 ] - [ -0.0001795000000000, 0.0000707000000000, 0.0003224800000000 ] - [ 0.0091261100000000, -0.0184875400000000, 0.0188060500000000 ] - [ -0.0003361500000000, 0.0000372700000000, 0.0026685100000000 ] - [ 0.0091261100000000, 0.0184875400000000, 0.0188060500000000 ] - [ -0.0003361500000000, -0.0000372700000000, 0.0026685100000000 ] - [ -0.0006600900000000, 0.0004081200000000, 0.0000899500000000 ] - [ -0.0001795000000000, -0.0000707000000000, 0.0003224800000000 ] - [ -0.0013081300000000, -0.0064771200000000, 0.0080398300000000 ] - [ 0.0000204200000000, -0.0008756700000000, 0.0020135900000000 ] - [ -0.0000725400000000, 0.0005118100000000, -0.0002150800000000 ] - [ 0.0000305800000000, 0.0002736200000000, -0.0002839700000000 ] - [ -0.0000725400000000, -0.0005118100000000, -0.0002150800000000 ] - [ 0.0000305800000000, -0.0002736200000000, -0.0002839700000000 ] - [ 0.0119433700000000, 0.0000000000000000, 0.0067396400000000 ] - [ -0.0005578900000000, 0.0000000000000000, 0.0007020300000000 ] - [ -0.0006420700000000, -0.0003850700000000, -0.0005266500000000 ] - [ -0.0006420700000000, 0.0003850700000000, -0.0005266500000000 ] - [ 0.0030802000000000, -0.0024743000000000, 0.0005727900000000 ] - [ 0.0009527100000000, 0.0001363100000000, 0.0007479100000000 ] - [ -0.0032340500000000, -0.0037860300000000, -0.0016530000000000 ] - [ 0.0006899100000000, 0.0001002800000000, -0.0012879900000000 ] - [ -0.0032340500000000, 0.0037860300000000, -0.0016530000000000 ] - [ 0.0006899100000000, -0.0001002800000000, -0.0012879900000000 ] - [ 0.0030802000000000, 0.0024743000000000, 0.0005727900000000 ] - [ 0.0009527100000000, -0.0001363100000000, 0.0007479100000000 ] - [ -0.0013081300000000, 0.0064771200000000, 0.0080398300000000 ] - [ 0.0000204200000000, 0.0008756700000000, 0.0020135900000000 ] - [ 0.0007841700000000, -0.0005457500000000, 0.0016504500000000 ] - [ 0.0007386000000000, -0.0009415900000000, 0.0010738700000000 ] - [ 0.0007841700000000, 0.0005457500000000, 0.0016504500000000 ] - [ 0.0007386000000000, 0.0009415900000000, 0.0010738700000000 ] - [ -0.0026031300000000, 0.0000000000000000, 0.0188970400000000 ] - [ -0.0017271100000000, 0.0000000000000000, 0.0023095300000000 ] - [ -0.0012531000000000, -0.0016651900000000, -0.0018748900000000 ] - [ -0.0012531000000000, 0.0016651900000000, -0.0018748900000000 ] - [ 0.0013879400000000, 0.0027270100000000, 0.0002196300000000 ] - [ 0.0013879400000000, -0.0027270100000000, 0.0002196300000000 ] - [ -0.0085278800000000, 0.0000000000000000, -0.0053873700000000 ] - [ -0.0007005900000000, 0.0000000000000000, -0.0006846400000000 ] - [ 0.0012250700000000, 0.0000000000000000, -0.0008853200000000 ] - [ -0.0004517200000000, 0.0000000000000000, -0.0002229800000000 ] - [ 0.0093048500000000, -0.0119737700000000, 0.0061221800000000 ] - [ 0.0093048500000000, 0.0119737700000000, 0.0061221800000000 ] - [ -0.0095801200000000, -0.0075271100000000, 0.0019894100000000 ] - [ -0.0095801200000000, 0.0075271100000000, 0.0019894100000000 ] - [ -0.0002642900000000, 0.0000000000000000, 0.0020591600000000 ] - [ -0.0002552900000000, 0.0000000000000000, 0.0008298300000000 ] - [ -0.0136052100000000, 0.0399446600000000, -0.0387765300000000 ] - [ -0.0136052100000000, -0.0399446600000000, -0.0387765300000000 ] - [ -0.0002753100000000, 0.0000000000000000, -0.0010130000000000 ] - [ -0.0030489600000000, 0.0000000000000000, -0.0014538000000000 ] - [ -0.0501450200000000, 0.0000000000000000, 0.3194381200000000 ] - [ 0.0050064700000000, 0.0000000000000000, 0.0167497000000000 ] - [ -0.0007104200000000, -0.0005720900000000, 0.0002667200000000 ] - [ -0.0007104200000000, 0.0005720900000000, 0.0002667200000000 ] - [ -0.0068563300000000, -0.0034169600000000, 0.0029543800000000 ] - [ -0.0068563300000000, 0.0034169600000000, 0.0029543800000000 ] - [ 0.0144100000000000, 0.0000000000000000, -0.0219295400000000 ] - [ -0.0013455400000000, 0.0000000000000000, -0.0081365600000000 ] - [ 0.0032150200000000, 0.0000000000000000, -0.0033907900000000 ] - [ -0.0007306100000000, 0.0000000000000000, -0.0013301900000000 ] - [ 0.0055177800000000, -0.0050552100000000, -0.0228456700000000 ] - [ 0.0055177800000000, 0.0050552100000000, -0.0228456700000000 ] - [ -0.0002550500000000, 0.0001610600000000, 0.0002670400000000 ] - [ -0.0002550500000000, -0.0001610600000000, 0.0002670400000000 ] - [ -0.0179556200000000, 0.0000000000000000, -0.1057019700000000 ] - [ 0.0034324900000000, 0.0000000000000000, -0.0030390000000000 ] - [ 0.0389653600000000, 0.0000000000000000, -0.0175024000000000 ] - [ 0.0016021200000000, 0.0000000000000000, -0.0007862400000000 ] - [ -0.0023595900000000, -0.0016323400000000, -0.0023088800000000 ] - [ -0.0023595900000000, 0.0016323400000000, -0.0023088800000000 ]- atom: 109 displacement: [ 0.0099999983100469, 0.0000000000000000, 0.0000058136957938 ] forces: - [ -0.0024811400000000, 0.0006198900000000, 0.0010499800000000 ] - [ -0.0024811400000000, -0.0006198900000000, 0.0010499800000000 ] - [ 0.0453868600000000, 0.0000000000000000, -0.0275956100000000 ] - [ 0.0067604100000000, 0.0000000000000000, -0.0015419300000000 ] - [ 0.0132664200000000, -0.0008691900000000, -0.0024240600000000 ] - [ 0.0132664200000000, 0.0008691900000000, -0.0024240600000000 ] - [ 0.0830531300000000, 0.0000000000000000, -0.0054745900000000 ] - [ 0.0041985000000000, 0.0000000000000000, 0.0005572300000000 ] - [ -0.0224275400000000, 0.0000000000000000, 0.0109097100000000 ] - [ -0.0045477700000000, 0.0000000000000000, 0.0018197900000000 ] - [ -0.0005403300000000, 0.0021890200000000, 0.0012860500000000 ] - [ -0.0140554800000000, -0.0141820500000000, -0.0087239800000000 ] - [ 0.0037550000000000, -0.0041994000000000, 0.0017517800000000 ] - [ 0.0017870200000000, 0.0025917800000000, -0.0023019200000000 ] - [ 0.0017870200000000, -0.0025917800000000, -0.0023019200000000 ] - [ 0.0037550000000000, 0.0041994000000000, 0.0017517800000000 ] - [ -0.0140554800000000, 0.0141820500000000, -0.0087239800000000 ] - [ -0.0005403300000000, -0.0021890200000000, 0.0012860500000000 ] - [ 0.0043064300000000, -0.0063349500000000, 0.0051503500000000 ] - [ 0.0250304800000000, -0.0181369700000000, 0.0172609500000000 ] - [ -0.0019429700000000, 0.0017889800000000, -0.0032812500000000 ] - [ -0.0026902300000000, -0.0008562500000000, -0.0029716100000000 ] - [ -0.0026902300000000, 0.0008562500000000, -0.0029716100000000 ] - [ -0.0019429700000000, -0.0017889800000000, -0.0032812500000000 ] - [ 0.0082249100000000, 0.0000000000000000, 0.0047966000000000 ] - [ 0.0038314000000000, 0.0000000000000000, 0.0003284900000000 ] - [ -0.0000583200000000, 0.0022605700000000, -0.0002386000000000 ] - [ -0.0000583200000000, -0.0022605700000000, -0.0002386000000000 ] - [ 0.0040713300000000, -0.0010029600000000, -0.0005596000000000 ] - [ 0.0026871000000000, -0.0015871300000000, 0.0003026800000000 ] - [ 0.0049043700000000, 0.0061896200000000, -0.0012074600000000 ] - [ 0.0148425400000000, -0.0004325800000000, 0.0051630000000000 ] - [ 0.0148425400000000, 0.0004325800000000, 0.0051630000000000 ] - [ 0.0049043700000000, -0.0061896200000000, -0.0012074600000000 ] - [ 0.0026871000000000, 0.0015871300000000, 0.0003026800000000 ] - [ 0.0040713300000000, 0.0010029600000000, -0.0005596000000000 ] - [ 0.0250304800000000, 0.0181369700000000, 0.0172609500000000 ] - [ 0.0043064300000000, 0.0063349500000000, 0.0051503500000000 ] - [ 0.0006819200000000, 0.0014911800000000, 0.0003716900000000 ] - [ -0.0007215000000000, -0.0144479800000000, 0.0162271000000000 ] - [ -0.0007215000000000, 0.0144479800000000, 0.0162271000000000 ] - [ 0.0006819200000000, -0.0014911800000000, 0.0003716900000000 ] - [ -0.0054236400000000, 0.0000000000000000, 0.0034262100000000 ] - [ -0.0003334700000000, 0.0000000000000000, 0.0000531700000000 ] - [ -0.0097731000000000, 0.0007725000000000, 0.0026887900000000 ] - [ -0.0097731000000000, -0.0007725000000000, 0.0026887900000000 ] - [ -0.0089850100000000, 0.0000000000000000, 0.0017342800000000 ] - [ -0.0050652800000000, 0.0000000000000000, 0.0008333600000000 ] - [ -0.0094599300000000, -0.0017154200000000, -0.0002267300000000 ] - [ -0.0094599300000000, 0.0017154200000000, -0.0002267300000000 ] - [ 0.0017906800000000, -0.0026677400000000, -0.0025030000000000 ] - [ 0.0017906800000000, 0.0026677400000000, -0.0025030000000000 ] - [ -0.0128014800000000, -0.0173452100000000, -0.0121804000000000 ] - [ -0.0001736500000000, 0.0035110100000000, 0.0016156800000000 ] - [ -0.0022149500000000, 0.0017641600000000, -0.0019733400000000 ] - [ -0.0023136800000000, -0.0000250000000000, -0.0003310300000000 ] - [ -0.0023136800000000, 0.0000250000000000, -0.0003310300000000 ] - [ -0.0022149500000000, -0.0017641600000000, -0.0019733400000000 ] - [ -0.0001736500000000, -0.0035110100000000, 0.0016156800000000 ] - [ -0.0128014800000000, 0.0173452100000000, -0.0121804000000000 ] - [ -0.0036404400000000, 0.0021120000000000, -0.0023784600000000 ] - [ -0.0023538000000000, 0.0012267400000000, -0.0012794400000000 ] - [ -0.0013737500000000, -0.0049479100000000, 0.0149948300000000 ] - [ 0.0009886500000000, 0.0010375900000000, 0.0004510100000000 ] - [ 0.0009886500000000, -0.0010375900000000, 0.0004510100000000 ] - [ -0.0013737500000000, 0.0049479100000000, 0.0149948300000000 ] - [ -0.0038718000000000, 0.0000889100000000, -0.0013811300000000 ] - [ -0.0038718000000000, -0.0000889100000000, -0.0013811300000000 ] - [ -0.0124613800000000, 0.0000000000000000, -0.0009315700000000 ] - [ -0.0014049000000000, 0.0000000000000000, -0.0002521600000000 ] - [ -0.0017819300000000, 0.0001988500000000, -0.0001109500000000 ] - [ -0.0025104600000000, 0.0008716200000000, -0.0000513700000000 ] - [ -0.0039488200000000, -0.0025962200000000, -0.0001429800000000 ] - [ -0.0023895800000000, -0.0006741200000000, 0.0000406200000000 ] - [ -0.0023895800000000, 0.0006741200000000, 0.0000406200000000 ] - [ -0.0039488200000000, 0.0025962200000000, -0.0001429800000000 ] - [ -0.0025104600000000, -0.0008716200000000, -0.0000513700000000 ] - [ -0.0017819300000000, -0.0001988500000000, -0.0001109500000000 ] - [ -0.0023538000000000, -0.0012267400000000, -0.0012794400000000 ] - [ -0.0036404400000000, -0.0021120000000000, -0.0023784600000000 ] - [ -0.0026033400000000, 0.0012070100000000, -0.0030687200000000 ] - [ -0.0023709300000000, 0.0037021700000000, -0.0036047200000000 ] - [ -0.0023709300000000, -0.0037021700000000, -0.0036047200000000 ] - [ -0.0026033400000000, -0.0012070100000000, -0.0030687200000000 ] - [ -0.0018409500000000, -0.0309499500000000, 0.0035332100000000 ] - [ -0.0018409500000000, 0.0309499500000000, 0.0035332100000000 ] - [ -0.0122894600000000, 0.0000000000000000, -0.0046155600000000 ] - [ -0.0061830000000000, 0.0000000000000000, -0.0001971700000000 ] - [ 0.0113217200000000, 0.0000000000000000, 0.0029486900000000 ] - [ 0.0039782300000000, 0.0000000000000000, -0.0002187800000000 ] - [ 0.0044801700000000, 0.0004078500000000, 0.0015011200000000 ] - [ 0.0044801700000000, -0.0004078500000000, 0.0015011200000000 ] - [ -0.0091192600000000, 0.0041943000000000, -0.0010063500000000 ] - [ -0.0091192600000000, -0.0041943000000000, -0.0010063500000000 ] - [ 0.0054227700000000, 0.0000000000000000, 0.0146827700000000 ] - [ -0.0000627800000000, 0.0000000000000000, 0.0013851300000000 ] - [ 0.0043281100000000, 0.0000000000000000, -0.0001848400000000 ] - [ 0.0030691700000000, 0.0000000000000000, 0.0000675900000000 ] - [ 0.0039533800000000, 0.0031919900000000, -0.0009226200000000 ] - [ 0.0039533800000000, -0.0031919900000000, -0.0009226200000000 ] - [ 0.0835151500000000, 0.0000000000000000, -0.0368006000000000 ] - [ 0.0013068900000000, 0.0000000000000000, -0.0028458800000000 ] - [ -0.0108098500000000, 0.0196481200000000, 0.0113437400000000 ] - [ -0.0108098500000000, -0.0196481200000000, 0.0113437400000000 ] - [ 0.0111981900000000, -0.0114729600000000, 0.0079924900000000 ] - [ 0.0111981900000000, 0.0114729600000000, 0.0079924900000000 ] - [ -0.0056483900000000, 0.0000000000000000, -0.0149455600000000 ] - [ -0.0028223300000000, 0.0000000000000000, 0.0012002600000000 ] - [ -0.3157226000000000, 0.0000000000000000, -0.0041152400000000 ] - [ -0.0128732500000000, 0.0000000000000000, -0.0103751500000000 ] - [ -0.0097039200000000, -0.0104967600000000, -0.0088842300000000 ] - [ -0.0097039200000000, 0.0104967600000000, -0.0088842300000000 ] - [ 0.0103761900000000, 0.0141336000000000, 0.0109549900000000 ] - [ 0.0103761900000000, -0.0141336000000000, 0.0109549900000000 ] - [ 0.0188965500000000, 0.0000000000000000, -0.0028657300000000 ] - [ 0.0082271000000000, 0.0000000000000000, 0.0014600500000000 ] - [ 0.0902443000000000, 0.0000000000000000, -0.0286721800000000 ] - [ -0.0049612800000000, 0.0000000000000000, -0.0024020800000000 ] - [ 0.0072430800000000, -0.0016465100000000, 0.0034269600000000 ] - [ 0.0072430800000000, 0.0016465100000000, 0.0034269600000000 ] - [ 0.0133198700000000, 0.0004820500000000, 0.0003919400000000 ] - [ 0.0133198700000000, -0.0004820500000000, 0.0003919400000000 ] - [ 0.0117835600000000, 0.0000000000000000, 0.0025776300000000 ] - [ 0.0053889000000000, 0.0000000000000000, 0.0037635900000000 ]- atom: 109 displacement: [ -0.0099999983100469, 0.0000000000000000, -0.0000058136957938 ] forces: - [ 0.0022707100000000, -0.0006280800000000, -0.0008517400000000 ] - [ 0.0022707100000000, 0.0006280800000000, -0.0008517400000000 ] - [ -0.0395308600000000, 0.0000000000000000, 0.0238316900000000 ] - [ -0.0065719100000000, 0.0000000000000000, 0.0013421100000000 ] - [ -0.0126431400000000, 0.0009062500000000, 0.0031900700000000 ] - [ -0.0126431400000000, -0.0009062500000000, 0.0031900700000000 ] - [ -0.0929468100000000, 0.0000000000000000, 0.0059212300000000 ] - [ -0.0049789600000000, 0.0000000000000000, -0.0012618700000000 ] - [ 0.0224466700000000, 0.0000000000000000, -0.0109145900000000 ] - [ 0.0045570200000000, 0.0000000000000000, -0.0018255900000000 ] - [ 0.0001562800000000, -0.0026368500000000, -0.0012784000000000 ] - [ 0.0137420700000000, 0.0137937400000000, 0.0087414300000000 ] - [ -0.0033512400000000, 0.0037322400000000, -0.0016962600000000 ] - [ -0.0014021300000000, -0.0030493800000000, 0.0023119500000000 ] - [ -0.0014021300000000, 0.0030493800000000, 0.0023119500000000 ] - [ -0.0033512400000000, -0.0037322400000000, -0.0016962600000000 ] - [ 0.0137420700000000, -0.0137937400000000, 0.0087414300000000 ] - [ 0.0001562800000000, 0.0026368500000000, -0.0012784000000000 ] - [ -0.0044760600000000, 0.0060821200000000, -0.0047371300000000 ] - [ -0.0255725400000000, 0.0178969300000000, -0.0169773500000000 ] - [ 0.0019470300000000, -0.0012042000000000, 0.0032939500000000 ] - [ 0.0027053500000000, 0.0014607100000000, 0.0029867600000000 ] - [ 0.0027053500000000, -0.0014607100000000, 0.0029867600000000 ] - [ 0.0019470300000000, 0.0012042000000000, 0.0032939500000000 ] - [ -0.0083491000000000, 0.0000000000000000, -0.0051280900000000 ] - [ -0.0039562300000000, 0.0000000000000000, -0.0006892000000000 ] - [ 0.0001989600000000, -0.0022944900000000, 0.0005916000000000 ] - [ 0.0001989600000000, 0.0022944900000000, 0.0005916000000000 ] - [ -0.0038545000000000, 0.0005400700000000, 0.0005142000000000 ] - [ -0.0024665800000000, 0.0011231200000000, -0.0003568100000000 ] - [ -0.0051517600000000, -0.0067029700000000, 0.0012550900000000 ] - [ -0.0148986200000000, 0.0005459700000000, -0.0048147600000000 ] - [ -0.0148986200000000, -0.0005459700000000, -0.0048147600000000 ] - [ -0.0051517600000000, 0.0067029700000000, 0.0012550900000000 ] - [ -0.0024665800000000, -0.0011231200000000, -0.0003568100000000 ] - [ -0.0038545000000000, -0.0005400700000000, 0.0005142000000000 ] - [ -0.0255725400000000, -0.0178969300000000, -0.0169773500000000 ] - [ -0.0044760600000000, -0.0060821200000000, -0.0047371300000000 ] - [ -0.0005460300000000, -0.0011619000000000, -0.0008345800000000 ] - [ 0.0008960100000000, 0.0148729000000000, -0.0167906800000000 ] - [ 0.0008960100000000, -0.0148729000000000, -0.0167906800000000 ] - [ -0.0005460300000000, 0.0011619000000000, -0.0008345800000000 ] - [ 0.0052470300000000, 0.0000000000000000, -0.0032353900000000 ] - [ 0.0001461800000000, 0.0000000000000000, 0.0001395200000000 ] - [ 0.0099954300000000, -0.0007785000000000, -0.0028859800000000 ] - [ 0.0099954300000000, 0.0007785000000000, -0.0028859800000000 ] - [ 0.0097577300000000, 0.0000000000000000, -0.0010400800000000 ] - [ 0.0058421900000000, 0.0000000000000000, -0.0001388900000000 ] - [ 0.0087323800000000, 0.0017140800000000, -0.0004759700000000 ] - [ 0.0087323800000000, -0.0017140800000000, -0.0004759700000000 ] - [ -0.0016377400000000, 0.0026966100000000, 0.0024720900000000 ] - [ -0.0016377400000000, -0.0026966100000000, 0.0024720900000000 ] - [ 0.0123505400000000, 0.0168950500000000, 0.0122136900000000 ] - [ -0.0002055300000000, -0.0039428800000000, -0.0016066300000000 ] - [ 0.0026035800000000, -0.0022018500000000, 0.0019607100000000 ] - [ 0.0027040100000000, -0.0004087000000000, 0.0003159100000000 ] - [ 0.0027040100000000, 0.0004087000000000, 0.0003159100000000 ] - [ 0.0026035800000000, 0.0022018500000000, 0.0019607100000000 ] - [ -0.0002055300000000, 0.0039428800000000, -0.0016066300000000 ] - [ 0.0123505400000000, -0.0168950500000000, 0.0122136900000000 ] - [ 0.0035045200000000, -0.0024476400000000, 0.0028348600000000 ] - [ 0.0022144800000000, -0.0015590500000000, 0.0017346000000000 ] - [ 0.0013498400000000, 0.0055492600000000, -0.0149636000000000 ] - [ -0.0009906300000000, -0.0004415300000000, -0.0004419900000000 ] - [ -0.0009906300000000, 0.0004415300000000, -0.0004419900000000 ] - [ 0.0013498400000000, -0.0055492600000000, -0.0149636000000000 ] - [ 0.0037667200000000, -0.0000898100000000, 0.0010146000000000 ] - [ 0.0037667200000000, 0.0000898100000000, 0.0010146000000000 ] - [ 0.0126190600000000, 0.0000000000000000, 0.0012933600000000 ] - [ 0.0015265300000000, 0.0000000000000000, 0.0006229800000000 ] - [ 0.0020288000000000, -0.0006642900000000, 0.0000429600000000 ] - [ 0.0027555200000000, -0.0013341300000000, -0.0000186500000000 ] - [ 0.0037192500000000, 0.0021415500000000, 0.0002143900000000 ] - [ 0.0021546100000000, 0.0002148700000000, 0.0000300400000000 ] - [ 0.0021546100000000, -0.0002148700000000, 0.0000300400000000 ] - [ 0.0037192500000000, -0.0021415500000000, 0.0002143900000000 ] - [ 0.0027555200000000, 0.0013341300000000, -0.0000186500000000 ] - [ 0.0020288000000000, 0.0006642900000000, 0.0000429600000000 ] - [ 0.0022144800000000, 0.0015590500000000, 0.0017346000000000 ] - [ 0.0035045200000000, 0.0024476400000000, 0.0028348600000000 ] - [ 0.0027548800000000, -0.0008865300000000, 0.0026175600000000 ] - [ 0.0025303600000000, -0.0033854500000000, 0.0031635800000000 ] - [ 0.0025303600000000, 0.0033854500000000, 0.0031635800000000 ] - [ 0.0027548800000000, 0.0008865300000000, 0.0026175600000000 ] - [ 0.0028888000000000, 0.0312267300000000, -0.0040849300000000 ] - [ 0.0028888000000000, -0.0312267300000000, -0.0040849300000000 ] - [ 0.0112943900000000, 0.0000000000000000, 0.0052898300000000 ] - [ 0.0051472400000000, 0.0000000000000000, 0.0009067700000000 ] - [ -0.0102776900000000, 0.0000000000000000, -0.0036777500000000 ] - [ -0.0029333500000000, 0.0000000000000000, -0.0005019200000000 ] - [ -0.0055488700000000, -0.0004051700000000, -0.0007849300000000 ] - [ -0.0055488700000000, 0.0004051700000000, -0.0007849300000000 ] - [ 0.0086296000000000, -0.0041734300000000, 0.0005720700000000 ] - [ 0.0086296000000000, 0.0041734300000000, 0.0005720700000000 ] - [ -0.0049828600000000, 0.0000000000000000, -0.0144724900000000 ] - [ 0.0005888700000000, 0.0000000000000000, -0.0010060400000000 ] - [ -0.0048668600000000, 0.0000000000000000, -0.0002063400000000 ] - [ -0.0036034500000000, 0.0000000000000000, -0.0004589300000000 ] - [ -0.0034305500000000, -0.0031909800000000, 0.0013075300000000 ] - [ -0.0034305500000000, 0.0031909800000000, 0.0013075300000000 ] - [ -0.0834967100000000, 0.0000000000000000, 0.0377806300000000 ] - [ -0.0005823500000000, 0.0000000000000000, 0.0035557900000000 ] - [ 0.0099337400000000, -0.0200103300000000, -0.0123652300000000 ] - [ 0.0099337400000000, 0.0200103300000000, -0.0123652300000000 ] - [ -0.0121956400000000, 0.0115307200000000, -0.0083389900000000 ] - [ -0.0121956400000000, -0.0115307200000000, -0.0083389900000000 ] - [ 0.0065806100000000, 0.0000000000000000, 0.0151628200000000 ] - [ 0.0037723100000000, 0.0000000000000000, -0.0009264200000000 ] - [ 0.3196718200000000, 0.0000000000000000, 0.0056494400000000 ] - [ 0.0127200500000000, 0.0000000000000000, 0.0094015900000000 ] - [ 0.0100414500000000, 0.0105806200000000, 0.0100180200000000 ] - [ 0.0100414500000000, -0.0105806200000000, 0.0100180200000000 ] - [ -0.0097396200000000, -0.0140961200000000, -0.0102063700000000 ] - [ -0.0097396200000000, 0.0140961200000000, -0.0102063700000000 ] - [ -0.0196517400000000, 0.0000000000000000, 0.0021822000000000 ] - [ -0.0089637400000000, 0.0000000000000000, -0.0021449700000000 ] - [ -0.0906235900000000, 0.0000000000000000, 0.0280946500000000 ] - [ 0.0040054000000000, 0.0000000000000000, 0.0020914400000000 ] - [ -0.0062992800000000, 0.0016567100000000, -0.0031325100000000 ] - [ -0.0062992800000000, -0.0016567100000000, -0.0031325100000000 ] - [ -0.0135626200000000, -0.0004797700000000, -0.0014823200000000 ] - [ -0.0135626200000000, 0.0004797700000000, -0.0014823200000000 ] - [ -0.0116003100000000, 0.0000000000000000, -0.0014876900000000 ] - [ -0.0052102200000000, 0.0000000000000000, -0.0026934800000000 ]- atom: 109 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0022794000000000, 0.0000403000000000, -0.0006813900000000 ] - [ -0.0024771500000000, 0.0000401000000000, 0.0008854500000000 ] - [ -0.0001889300000000, 0.0157303700000000, 0.0002538300000000 ] - [ 0.0000795000000000, -0.0032467400000000, -0.0000932800000000 ] - [ 0.0118029300000000, -0.0042826900000000, -0.0073567000000000 ] - [ -0.0111005900000000, -0.0042816900000000, 0.0080367100000000 ] - [ 0.0000041400000000, 0.0237096300000000, -0.0002680300000000 ] - [ -0.0003783200000000, -0.0082906600000000, -0.0003519500000000 ] - [ -0.0000094300000000, 0.0014073300000000, 0.0000093000000000 ] - [ 0.0000116600000000, -0.0009694800000000, -0.0000054700000000 ] - [ 0.0013838700000000, -0.0041509300000000, -0.0021962800000000 ] - [ -0.0014494500000000, 0.0034841300000000, 0.0022083200000000 ] - [ -0.0064088200000000, 0.0114435800000000, -0.0169058600000000 ] - [ 0.0040882100000000, -0.0140443900000000, 0.0119031700000000 ] - [ -0.0036990300000000, -0.0135895900000000, -0.0118723500000000 ] - [ 0.0067945200000000, 0.0119236500000000, 0.0169122400000000 ] - [ 0.0010694100000000, 0.0039474800000000, -0.0022178900000000 ] - [ -0.0017495300000000, -0.0037171100000000, 0.0022109300000000 ] - [ 0.0028602600000000, -0.0245620200000000, 0.0077135800000000 ] - [ -0.0162861300000000, 0.0907318200000000, -0.0610037600000000 ] - [ 0.0015439200000000, -0.0006439800000000, 0.0013068800000000 ] - [ -0.0009612500000000, 0.0014597100000000, -0.0011152400000000 ] - [ 0.0009749200000000, 0.0008641200000000, 0.0011231700000000 ] - [ -0.0015301400000000, -0.0012387200000000, -0.0012977500000000 ] - [ -0.0000732200000000, 0.0042033500000000, -0.0001838600000000 ] - [ -0.0000666600000000, -0.0036643700000000, -0.0001845400000000 ] - [ 0.0131335400000000, -0.0035441000000000, 0.0063100000000000 ] - [ -0.0129797600000000, -0.0035198100000000, -0.0059340600000000 ] - [ -0.0001814500000000, 0.0034365900000000, 0.0019370300000000 ] - [ -0.0002340600000000, -0.0040902600000000, -0.0000522700000000 ] - [ -0.0025747200000000, -0.0159802100000000, -0.0001450500000000 ] - [ -0.0115767200000000, 0.0038448200000000, 0.0119507600000000 ] - [ 0.0111450500000000, 0.0052219200000000, -0.0128590500000000 ] - [ 0.0023483800000000, -0.0154959800000000, 0.0002133000000000 ] - [ 0.0004739400000000, -0.0036218100000000, -0.0000097600000000 ] - [ 0.0004219000000000, 0.0038957900000000, -0.0019908500000000 ] - [ 0.0177652500000000, 0.0960625200000000, 0.0667134300000000 ] - [ -0.0030374800000000, -0.0242372500000000, -0.0073071300000000 ] - [ 0.0017185300000000, -0.0035804900000000, 0.0013144000000000 ] - [ -0.0016856900000000, 0.0046754000000000, -0.0027457300000000 ] - [ 0.0018282400000000, 0.0043814500000000, 0.0023236000000000 ] - [ -0.0015701400000000, -0.0039212100000000, -0.0017812000000000 ] - [ -0.0000876600000000, 0.0015199200000000, 0.0000922700000000 ] - [ -0.0000952000000000, -0.0011537100000000, 0.0000982300000000 ] - [ 0.0033477300000000, -0.0000882500000000, -0.0010853000000000 ] - [ -0.0031272900000000, -0.0000909600000000, 0.0008785200000000 ] - [ 0.0003832700000000, 0.0005710300000000, 0.0003458100000000 ] - [ 0.0003862900000000, -0.0006081500000000, 0.0003446500000000 ] - [ -0.0025494100000000, -0.0000062000000000, 0.0005249400000000 ] - [ 0.0018173300000000, -0.0000107000000000, -0.0012186400000000 ] - [ -0.0178652300000000, -0.0041748800000000, 0.0027631000000000 ] - [ 0.0179011100000000, -0.0041640500000000, -0.0028042200000000 ] - [ -0.0001773400000000, 0.0036538400000000, 0.0030515700000000 ] - [ -0.0001254000000000, -0.0031037600000000, -0.0021988800000000 ] - [ 0.0008031100000000, -0.0014788600000000, 0.0009636000000000 ] - [ -0.0004240300000000, 0.0010604000000000, -0.0009605100000000 ] - [ 0.0008098200000000, 0.0015017200000000, 0.0009514400000000 ] - [ -0.0004175100000000, -0.0010422300000000, -0.0009769700000000 ] - [ -0.0002612100000000, -0.0026580500000000, 0.0022081800000000 ] - [ -0.0001802400000000, 0.0040431200000000, -0.0030017400000000 ] - [ -0.0002521700000000, 0.0006749400000000, -0.0003128300000000 ] - [ 0.0001097600000000, -0.0009879700000000, 0.0007491300000000 ] - [ -0.0013438100000000, 0.0036315000000000, -0.0004439200000000 ] - [ 0.0011947900000000, -0.0026017300000000, -0.0000577600000000 ] - [ -0.0012021900000000, -0.0031979700000000, 0.0000714100000000 ] - [ 0.0013385400000000, 0.0030160700000000, 0.0004265900000000 ] - [ 0.0005475500000000, 0.0000132400000000, -0.0000165400000000 ] - [ -0.0006561800000000, 0.0000124000000000, -0.0003570700000000 ] - [ 0.0000687700000000, 0.0011687000000000, 0.0001941600000000 ] - [ 0.0000582700000000, -0.0008126300000000, 0.0001884100000000 ] - [ 0.0001488300000000, -0.0007034900000000, -0.0000068900000000 ] - [ 0.0001004600000000, 0.0002213800000000, -0.0000667400000000 ] - [ 0.0000989400000000, 0.0004282100000000, 0.0000957200000000 ] - [ -0.0003474500000000, -0.0008803000000000, -0.0000197800000000 ] - [ 0.0001058700000000, -0.0004142800000000, 0.0000960000000000 ] - [ -0.0003374900000000, 0.0008902900000000, -0.0000184000000000 ] - [ 0.0001508900000000, 0.0006899200000000, -0.0000088600000000 ] - [ 0.0001022600000000, -0.0002363800000000, -0.0000689600000000 ] - [ -0.0002513700000000, -0.0006526200000000, -0.0002918200000000 ] - [ 0.0001073700000000, 0.0010039800000000, 0.0007666800000000 ] - [ -0.0015107900000000, 0.0027131500000000, -0.0019863100000000 ] - [ 0.0020972200000000, -0.0029378300000000, 0.0018559400000000 ] - [ -0.0019436300000000, -0.0032561800000000, -0.0022985000000000 ] - [ 0.0016623000000000, 0.0023839800000000, 0.0015371900000000 ] - [ -0.0368493700000000, 0.0477480300000000, -0.0041678000000000 ] - [ 0.0375054300000000, 0.0472622000000000, 0.0034641900000000 ] - [ -0.0005180600000000, -0.0107523500000000, 0.0003473500000000 ] - [ -0.0005220200000000, 0.0086813900000000, 0.0003599600000000 ] - [ 0.0005217000000000, -0.0014825900000000, -0.0003651000000000 ] - [ 0.0005283300000000, 0.0014095400000000, -0.0003625000000000 ] - [ -0.0005551400000000, 0.0000037500000000, 0.0005096600000000 ] - [ -0.0005174600000000, 0.0000055300000000, 0.0002136000000000 ] - [ 0.0050967900000000, 0.0036667200000000, -0.0066856700000000 ] - [ -0.0055794400000000, 0.0036521200000000, 0.0062518400000000 ] - [ 0.0002550800000000, -0.0125883800000000, 0.0001972900000000 ] - [ 0.0002616700000000, 0.0072384400000000, 0.0001849200000000 ] - [ -0.0002718900000000, -0.0009397100000000, -0.0001911100000000 ] - [ -0.0002713000000000, 0.0009963200000000, -0.0001916100000000 ] - [ 0.0009814100000000, 0.0000968600000000, 0.0001422400000000 ] - [ -0.0004557500000000, 0.0001050700000000, 0.0002399000000000 ] - [ 0.0004441700000000, -0.0123159200000000, 0.0003375200000000 ] - [ 0.0003452900000000, 0.0109796900000000, 0.0003597000000000 ] - [ 0.0243485700000000, 0.0579210900000000, 0.0570417500000000 ] - [ -0.0250428000000000, 0.0578877100000000, -0.0576306800000000 ] - [ -0.0112370400000000, -0.0002162600000000, 0.0019936900000000 ] - [ 0.0102195000000000, -0.0001987700000000, -0.0023041800000000 ] - [ 0.0004853600000000, -0.0233467700000000, 0.0001660000000000 ] - [ 0.0004782800000000, 0.0151450500000000, 0.0001428500000000 ] - [ -0.0013153100000000, -0.3603211300000000, -0.0053619400000000 ] - [ -0.0000880800000000, 0.0421009000000000, -0.0005381200000000 ] - [ -0.0104265700000000, 0.0001120200000000, 0.0024920900000000 ] - [ 0.0106541700000000, 0.0001272000000000, -0.0014020100000000 ] - [ 0.0145812700000000, 0.0002173200000000, -0.0049341500000000 ] - [ -0.0138665200000000, 0.0002447400000000, 0.0056111000000000 ] - [ -0.0003659600000000, -0.0024735200000000, -0.0003478600000000 ] - [ -0.0003781600000000, 0.0024854600000000, -0.0003425500000000 ] - [ -0.0005658100000000, -0.0093259200000000, -0.0001389400000000 ] - [ -0.0004574500000000, 0.0061314200000000, -0.0001658500000000 ] - [ -0.0025595800000000, -0.0002093400000000, -0.0018428200000000 ] - [ 0.0034938400000000, -0.0002059300000000, 0.0021489200000000 ] - [ -0.0006070400000000, -0.0000237900000000, -0.0001928900000000 ] - [ 0.0003552900000000, -0.0000164100000000, -0.0009043000000000 ] - [ 0.0000980700000000, -0.0040994300000000, 0.0005501400000000 ] - [ 0.0001027500000000, 0.0045304800000000, 0.0005458300000000 ]- atom: 109 displacement: [ -0.0011848924261905, 0.0000000000000000, 0.0099295533604667 ] forces: - [ 0.0027473600000000, -0.0000766400000000, -0.0018350600000000 ] - [ 0.0027473600000000, 0.0000766400000000, -0.0018350600000000 ] - [ -0.0337452900000000, 0.0000000000000000, 0.0432832800000000 ] - [ 0.0004297400000000, 0.0000000000000000, 0.0009877600000000 ] - [ 0.0088868700000000, -0.0038774500000000, -0.0058427200000000 ] - [ 0.0088868700000000, 0.0038774500000000, -0.0058427200000000 ] - [ -0.0003139600000000, 0.0000000000000000, 0.0206336200000000 ] - [ 0.0011958200000000, 0.0000000000000000, 0.0021277800000000 ] - [ 0.0067181400000000, 0.0000000000000000, -0.0019941600000000 ] - [ -0.0002090600000000, 0.0000000000000000, 0.0006114700000000 ] - [ -0.0014179600000000, 0.0006052300000000, 0.0011676200000000 ] - [ 0.0030355600000000, 0.0053550700000000, 0.0046043700000000 ] - [ -0.0039318700000000, 0.0055915200000000, -0.0123417100000000 ] - [ -0.0016670400000000, 0.0070276100000000, -0.0079318100000000 ] - [ -0.0016670400000000, -0.0070276100000000, -0.0079318100000000 ] - [ -0.0039318700000000, -0.0055915200000000, -0.0123417100000000 ] - [ 0.0030355600000000, -0.0053550700000000, 0.0046043700000000 ] - [ -0.0014179600000000, -0.0006052300000000, 0.0011676200000000 ] - [ 0.0030584000000000, -0.0116909000000000, 0.0068775800000000 ] - [ 0.0141155000000000, -0.0646473700000000, 0.0727678000000000 ] - [ -0.0009252800000000, 0.0000329900000000, -0.0006241100000000 ] - [ -0.0011584500000000, -0.0003766800000000, -0.0005126400000000 ] - [ -0.0011584500000000, 0.0003766800000000, -0.0005126400000000 ] - [ -0.0009252800000000, -0.0000329900000000, -0.0006241100000000 ] - [ -0.0002517100000000, 0.0000000000000000, -0.0084681000000000 ] - [ 0.0008359000000000, 0.0000000000000000, -0.0021418500000000 ] - [ -0.0081843000000000, 0.0032948100000000, -0.0008249400000000 ] - [ -0.0081843000000000, -0.0032948100000000, -0.0008249400000000 ] - [ 0.0012872700000000, -0.0006770000000000, -0.0048991400000000 ] - [ 0.0012309600000000, 0.0004515700000000, -0.0025428700000000 ] - [ 0.0015799200000000, 0.0100751000000000, 0.0027174600000000 ] - [ -0.0083635800000000, -0.0006705300000000, 0.0308014500000000 ] - [ -0.0083635800000000, 0.0006705300000000, 0.0308014500000000 ] - [ 0.0015799200000000, -0.0100751000000000, 0.0027174600000000 ] - [ 0.0012309600000000, -0.0004515700000000, -0.0025428700000000 ] - [ 0.0012872700000000, 0.0006770000000000, -0.0048991400000000 ] - [ 0.0141155000000000, 0.0646473700000000, 0.0727678000000000 ] - [ 0.0030584000000000, 0.0116909000000000, 0.0068775800000000 ] - [ 0.0010544600000000, -0.0020202600000000, 0.0020921200000000 ] - [ 0.0016580000000000, 0.0019570200000000, -0.0017110700000000 ] - [ 0.0016580000000000, -0.0019570200000000, -0.0017110700000000 ] - [ 0.0010544600000000, 0.0020202600000000, 0.0020921200000000 ] - [ -0.0003029700000000, 0.0000000000000000, -0.0019182500000000 ] - [ -0.0023819800000000, 0.0000000000000000, 0.0003103500000000 ] - [ -0.0006616400000000, -0.0000816900000000, 0.0004344200000000 ] - [ -0.0006616400000000, 0.0000816900000000, 0.0004344200000000 ] - [ 0.0009048900000000, 0.0000000000000000, 0.0000790500000000 ] - [ -0.0007344100000000, 0.0000000000000000, 0.0003766100000000 ] - [ -0.0003849100000000, 0.0009274300000000, 0.0006398100000000 ] - [ -0.0003849100000000, -0.0009274300000000, 0.0006398100000000 ] - [ -0.0156678900000000, -0.0028561900000000, 0.0041113800000000 ] - [ -0.0156678900000000, 0.0028561900000000, 0.0041113800000000 ] - [ 0.0066949900000000, 0.0114617400000000, 0.0095837900000000 ] - [ -0.0006104400000000, -0.0008231000000000, 0.0006893500000000 ] - [ 0.0001834700000000, -0.0002876500000000, -0.0000115700000000 ] - [ 0.0002508000000000, 0.0002129200000000, -0.0005766000000000 ] - [ 0.0002508000000000, -0.0002129200000000, -0.0005766000000000 ] - [ 0.0001834700000000, 0.0002876500000000, -0.0000115700000000 ] - [ -0.0006104400000000, 0.0008231000000000, 0.0006893500000000 ] - [ 0.0066949900000000, -0.0114617400000000, 0.0095837900000000 ] - [ 0.0005310900000000, -0.0007467300000000, 0.0010110000000000 ] - [ 0.0000784000000000, -0.0005605000000000, 0.0006364400000000 ] - [ 0.0013721000000000, 0.0023258300000000, -0.0122648700000000 ] - [ 0.0001735900000000, -0.0011311700000000, -0.0024602100000000 ] - [ 0.0001735900000000, 0.0011311700000000, -0.0024602100000000 ] - [ 0.0013721000000000, -0.0023258300000000, -0.0122648700000000 ] - [ -0.0000866400000000, 0.0000072400000000, -0.0005007900000000 ] - [ -0.0000866400000000, -0.0000072400000000, -0.0005007900000000 ] - [ 0.0048179900000000, 0.0000000000000000, 0.0009367600000000 ] - [ -0.0003017600000000, 0.0000000000000000, 0.0002117000000000 ] - [ -0.0001085000000000, 0.0000802100000000, -0.0003193400000000 ] - [ 0.0001650800000000, -0.0002172000000000, -0.0003429600000000 ] - [ 0.0006280300000000, 0.0005795300000000, 0.0002069600000000 ] - [ -0.0001237800000000, -0.0003905400000000, 0.0001343400000000 ] - [ -0.0001237800000000, 0.0003905400000000, 0.0001343400000000 ] - [ 0.0006280300000000, -0.0005795300000000, 0.0002069600000000 ] - [ 0.0001650800000000, 0.0002172000000000, -0.0003429600000000 ] - [ -0.0001085000000000, -0.0000802100000000, -0.0003193400000000 ] - [ 0.0000784000000000, 0.0005605000000000, 0.0006364400000000 ] - [ 0.0005310900000000, 0.0007467300000000, 0.0010110000000000 ] - [ -0.0005023400000000, 0.0006131800000000, 0.0002817800000000 ] - [ -0.0007721900000000, -0.0000195600000000, 0.0002562000000000 ] - [ -0.0007721900000000, 0.0000195600000000, 0.0002562000000000 ] - [ -0.0005023400000000, -0.0006131800000000, 0.0002817800000000 ] - [ 0.0140384700000000, -0.0175669300000000, -0.0211431500000000 ] - [ 0.0140384700000000, 0.0175669300000000, -0.0211431500000000 ] - [ -0.0040160100000000, 0.0000000000000000, 0.0157459200000000 ] - [ -0.0021906900000000, 0.0000000000000000, 0.0025757800000000 ] - [ -0.0026509000000000, 0.0000000000000000, -0.0017675600000000 ] - [ 0.0008939500000000, 0.0000000000000000, -0.0004204600000000 ] - [ -0.0003992300000000, -0.0002040700000000, 0.0005938900000000 ] - [ -0.0003992300000000, 0.0002040700000000, 0.0005938900000000 ] - [ -0.0034024300000000, -0.0061361800000000, 0.0088033500000000 ] - [ -0.0034024300000000, 0.0061361800000000, 0.0088033500000000 ] - [ 0.0113107000000000, 0.0000000000000000, 0.0047928900000000 ] - [ 0.0011946900000000, 0.0000000000000000, 0.0022121100000000 ] - [ -0.0003823100000000, 0.0000000000000000, 0.0002368300000000 ] - [ -0.0000146800000000, 0.0000000000000000, 0.0000728100000000 ] - [ -0.0005116700000000, -0.0015840000000000, 0.0010566400000000 ] - [ -0.0005116700000000, 0.0015840000000000, 0.0010566400000000 ] - [ -0.0235905100000000, 0.0000000000000000, 0.0025096800000000 ] - [ 0.0002881200000000, 0.0000000000000000, -0.0051898500000000 ] - [ 0.0185480000000000, 0.0428940100000000, 0.0359373600000000 ] - [ 0.0185480000000000, -0.0428940100000000, 0.0359373600000000 ] - [ 0.0039302500000000, 0.0031483700000000, -0.0038956700000000 ] - [ 0.0039302500000000, -0.0031483700000000, -0.0038956700000000 ] - [ 0.0056487100000000, 0.0000000000000000, 0.0247971600000000 ] - [ 0.0031102000000000, 0.0000000000000000, 0.0089075400000000 ] - [ 0.0306590200000000, 0.0000000000000000, -0.3032824700000000 ] - [ -0.0083624900000000, 0.0000000000000000, -0.0185104400000000 ] - [ -0.0080988000000000, 0.0031853100000000, 0.0040548600000000 ] - [ -0.0080988000000000, -0.0031853100000000, 0.0040548600000000 ] - [ 0.0085555300000000, -0.0070099500000000, -0.0115243600000000 ] - [ 0.0085555300000000, 0.0070099500000000, -0.0115243600000000 ] - [ -0.0038013400000000, 0.0000000000000000, 0.0003865700000000 ] - [ 0.0000914700000000, 0.0000000000000000, -0.0011458100000000 ] - [ -0.0593831300000000, 0.0000000000000000, 0.0141282700000000 ] - [ -0.0001492900000000, 0.0000000000000000, 0.0003209300000000 ] - [ -0.0004292900000000, 0.0001684400000000, 0.0025938900000000 ] - [ -0.0004292900000000, -0.0001684400000000, 0.0025938900000000 ] - [ -0.0007677000000000, -0.0004130200000000, -0.0015958900000000 ] - [ -0.0007677000000000, 0.0004130200000000, -0.0015958900000000 ] - [ 0.0007493100000000, 0.0000000000000000, 0.0011068500000000 ] - [ 0.0026775000000000, 0.0000000000000000, 0.0007824700000000 ]- atom: 109 displacement: [ 0.0011848924261905, 0.0000000000000000, -0.0099295533604667 ] forces: - [ -0.0029514600000000, 0.0000733600000000, 0.0020420800000000 ] - [ -0.0029514600000000, -0.0000733600000000, 0.0020420800000000 ] - [ 0.0361913400000000, 0.0000000000000000, -0.0439067800000000 ] - [ -0.0002244200000000, 0.0000000000000000, -0.0011938700000000 ] - [ -0.0082085900000000, 0.0038707300000000, 0.0065827100000000 ] - [ -0.0082085900000000, -0.0038707300000000, 0.0065827100000000 ] - [ -0.0008762600000000, 0.0000000000000000, -0.0211193100000000 ] - [ -0.0019790300000000, 0.0000000000000000, -0.0028339800000000 ] - [ -0.0068575400000000, 0.0000000000000000, 0.0020593900000000 ] - [ 0.0002211800000000, 0.0000000000000000, -0.0006186000000000 ] - [ 0.0010542900000000, -0.0010371700000000, -0.0011514700000000 ] - [ -0.0034706400000000, -0.0058602000000000, -0.0046493300000000 ] - [ 0.0043330000000000, -0.0061249600000000, 0.0124383600000000 ] - [ 0.0020624500000000, -0.0075214100000000, 0.0079847600000000 ] - [ 0.0020624500000000, 0.0075214100000000, 0.0079847600000000 ] - [ 0.0043330000000000, 0.0061249600000000, 0.0124383600000000 ] - [ -0.0034706400000000, 0.0058602000000000, -0.0046493300000000 ] - [ 0.0010542900000000, 0.0010371700000000, -0.0011514700000000 ] - [ -0.0032316500000000, 0.0114544400000000, -0.0064647600000000 ] - [ -0.0131045500000000, 0.0603753800000000, -0.0699193700000000 ] - [ 0.0009331100000000, 0.0005691600000000, 0.0006227800000000 ] - [ 0.0011739200000000, 0.0009836000000000, 0.0005126600000000 ] - [ 0.0011739200000000, -0.0009836000000000, 0.0005126600000000 ] - [ 0.0009331100000000, -0.0005691600000000, 0.0006227800000000 ] - [ 0.0000935900000000, 0.0000000000000000, 0.0081777800000000 ] - [ -0.0009649600000000, 0.0000000000000000, 0.0017877700000000 ] - [ 0.0083571600000000, -0.0033242200000000, 0.0011727000000000 ] - [ 0.0083571600000000, 0.0033242200000000, 0.0011727000000000 ] - [ -0.0010181000000000, 0.0001741300000000, 0.0048620700000000 ] - [ -0.0009903900000000, -0.0009208200000000, 0.0024880500000000 ] - [ -0.0018250400000000, -0.0105910100000000, -0.0026704100000000 ] - [ 0.0080747400000000, -0.0003218000000000, -0.0313300300000000 ] - [ 0.0080747400000000, 0.0003218000000000, -0.0313300300000000 ] - [ -0.0018250400000000, 0.0105910100000000, -0.0026704100000000 ] - [ -0.0009903900000000, 0.0009208200000000, 0.0024880500000000 ] - [ -0.0010181000000000, -0.0001741300000000, 0.0048620700000000 ] - [ -0.0131045500000000, -0.0603753800000000, -0.0699193700000000 ] - [ -0.0032316500000000, -0.0114544400000000, -0.0064647600000000 ] - [ -0.0009084200000000, 0.0023565100000000, -0.0025541300000000 ] - [ -0.0015060100000000, -0.0016828400000000, 0.0013416100000000 ] - [ -0.0015060100000000, 0.0016828400000000, 0.0013416100000000 ] - [ -0.0009084200000000, -0.0023565100000000, -0.0025541300000000 ] - [ 0.0000788800000000, 0.0000000000000000, 0.0021323900000000 ] - [ 0.0021911600000000, 0.0000000000000000, -0.0001153000000000 ] - [ 0.0008659900000000, 0.0000864100000000, -0.0006341700000000 ] - [ 0.0008659900000000, -0.0000864100000000, -0.0006341700000000 ] - [ -0.0001678900000000, 0.0000000000000000, 0.0006170100000000 ] - [ 0.0015036600000000, 0.0000000000000000, 0.0003135200000000 ] - [ -0.0003676700000000, -0.0009324700000000, -0.0013385000000000 ] - [ -0.0003676700000000, 0.0009324700000000, -0.0013385000000000 ] - [ 0.0157919700000000, 0.0028624900000000, -0.0041474600000000 ] - [ 0.0157919700000000, -0.0028624900000000, -0.0041474600000000 ] - [ -0.0071429100000000, -0.0119614400000000, -0.0096069000000000 ] - [ 0.0002303200000000, 0.0003921900000000, -0.0006787900000000 ] - [ 0.0001998700000000, -0.0001455900000000, -0.0000062500000000 ] - [ 0.0001321000000000, -0.0006566400000000, 0.0005702700000000 ] - [ 0.0001321000000000, 0.0006566400000000, 0.0005702700000000 ] - [ 0.0001998700000000, 0.0001455900000000, -0.0000062500000000 ] - [ 0.0002303200000000, -0.0003921900000000, -0.0006787900000000 ] - [ -0.0071429100000000, 0.0119614400000000, -0.0096069000000000 ] - [ -0.0006848900000000, 0.0004224200000000, -0.0005630100000000 ] - [ -0.0002234600000000, 0.0002263200000000, -0.0001803300000000 ] - [ -0.0014160200000000, -0.0017352900000000, 0.0123314300000000 ] - [ -0.0001817800000000, 0.0017452300000000, 0.0024757200000000 ] - [ -0.0001817800000000, -0.0017452300000000, 0.0024757200000000 ] - [ -0.0014160200000000, 0.0017352900000000, 0.0123314300000000 ] - [ -0.0000282400000000, -0.0000069400000000, 0.0001315700000000 ] - [ -0.0000282400000000, 0.0000069400000000, 0.0001315700000000 ] - [ -0.0047089000000000, 0.0000000000000000, -0.0005551400000000 ] - [ 0.0004184100000000, 0.0000000000000000, 0.0001572100000000 ] - [ 0.0003572800000000, -0.0005508100000000, 0.0002431400000000 ] - [ 0.0000785500000000, -0.0002493900000000, 0.0002669800000000 ] - [ -0.0008774900000000, -0.0010506700000000, -0.0001282600000000 ] - [ -0.0001241300000000, -0.0000770300000000, -0.0000566200000000 ] - [ -0.0001241300000000, 0.0000770300000000, -0.0000566200000000 ] - [ -0.0008774900000000, 0.0010506700000000, -0.0001282600000000 ] - [ 0.0000785500000000, 0.0002493900000000, 0.0002669800000000 ] - [ 0.0003572800000000, 0.0005508100000000, 0.0002431400000000 ] - [ -0.0002234600000000, -0.0002263200000000, -0.0001803300000000 ] - [ -0.0006848900000000, -0.0004224200000000, -0.0005630100000000 ] - [ 0.0006509400000000, -0.0002882000000000, -0.0007371500000000 ] - [ 0.0009258300000000, 0.0003467800000000, -0.0007077700000000 ] - [ 0.0009258300000000, -0.0003467800000000, -0.0007077700000000 ] - [ 0.0006509400000000, 0.0002882000000000, -0.0007371500000000 ] - [ -0.0131120700000000, 0.0177032500000000, 0.0207310900000000 ] - [ -0.0131120700000000, -0.0177032500000000, 0.0207310900000000 ] - [ 0.0029233400000000, 0.0000000000000000, -0.0150499200000000 ] - [ 0.0011460700000000, 0.0000000000000000, -0.0018667000000000 ] - [ 0.0037358600000000, 0.0000000000000000, 0.0010437000000000 ] - [ 0.0001674700000000, 0.0000000000000000, -0.0003056500000000 ] - [ -0.0006640400000000, 0.0002058100000000, 0.0001313000000000 ] - [ -0.0006640400000000, -0.0002058100000000, 0.0001313000000000 ] - [ 0.0029257200000000, 0.0062321300000000, -0.0092592200000000 ] - [ 0.0029257200000000, -0.0062321300000000, -0.0092592200000000 ] - [ -0.0109480500000000, 0.0000000000000000, -0.0044294900000000 ] - [ -0.0006775900000000, 0.0000000000000000, -0.0018475200000000 ] - [ -0.0001460200000000, 0.0000000000000000, -0.0006147200000000 ] - [ -0.0005155800000000, 0.0000000000000000, -0.0004505500000000 ] - [ 0.0010496500000000, 0.0015956000000000, -0.0006840400000000 ] - [ 0.0010496500000000, -0.0015956000000000, -0.0006840400000000 ] - [ 0.0246904300000000, 0.0000000000000000, -0.0019792400000000 ] - [ 0.0004297900000000, 0.0000000000000000, 0.0058997000000000 ] - [ -0.0193894000000000, -0.0431026000000000, -0.0369238900000000 ] - [ -0.0193894000000000, 0.0431026000000000, -0.0369238900000000 ] - [ -0.0049174400000000, -0.0032037000000000, 0.0036190400000000 ] - [ -0.0049174400000000, 0.0032037000000000, 0.0036190400000000 ] - [ -0.0046541600000000, 0.0000000000000000, -0.0246384100000000 ] - [ -0.0021629900000000, 0.0000000000000000, -0.0086527300000000 ] - [ -0.0351426400000000, 0.0000000000000000, 0.2987601100000000 ] - [ 0.0082149200000000, 0.0000000000000000, 0.0175387300000000 ] - [ 0.0083416300000000, -0.0031794400000000, -0.0030231900000000 ] - [ 0.0083416300000000, 0.0031794400000000, -0.0030231900000000 ] - [ -0.0078758400000000, 0.0070602100000000, 0.0122856800000000 ] - [ -0.0078758400000000, -0.0070602100000000, 0.0122856800000000 ] - [ 0.0031283300000000, 0.0000000000000000, -0.0010974200000000 ] - [ -0.0008372900000000, 0.0000000000000000, 0.0004644400000000 ] - [ 0.0590348000000000, 0.0000000000000000, -0.0146046300000000 ] - [ -0.0008030600000000, 0.0000000000000000, -0.0006369400000000 ] - [ 0.0013712600000000, -0.0001712200000000, -0.0022839100000000 ] - [ 0.0013712600000000, 0.0001712200000000, -0.0022839100000000 ] - [ 0.0005488700000000, 0.0004079700000000, 0.0004978100000000 ] - [ 0.0005488700000000, -0.0004079700000000, 0.0004978100000000 ] - [ -0.0005080400000000, 0.0000000000000000, -0.0000130600000000 ] - [ -0.0024716400000000, 0.0000000000000000, 0.0003125100000000 ]