# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/51314099-6489-4b7f-8294-2dd902ae1ed6/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 TlHgAsS3 / Cmce (64) / materials id 555199](https://mdr.nims.go.jp/datasets/5effdde8-6560-4cc9-afa3-e724dd1dc5ef)

## 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: "Cmce"  number: 64  Hall_symbol: "-C 2bc 2"primitive_matrix:- [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [ -0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [  0.000000000000000,  0.000000000000000,  1.000000000000000 ]supercell_matrix:- [   2,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     4.066567400000000,    -4.514139560000000,     0.000000000000000 ] # a  - [     4.066567400000000,     4.514139560000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    16.039726170000002 ] # c  points:  - symbol: Tl # 1    coordinates: [  0.663603670000000,  0.336396330000000,  0.951625950000000 ]    mass: 204.383300  - symbol: Tl # 2    coordinates: [  0.336396330000000,  0.663603670000000,  0.048374050000000 ]    mass: 204.383300  - symbol: Tl # 3    coordinates: [  0.163603670000000,  0.836396330000000,  0.548374050000000 ]    mass: 204.383300  - symbol: Tl # 4    coordinates: [  0.836396330000000,  0.163603670000000,  0.451625950000000 ]    mass: 204.383300  - symbol: Hg # 5    coordinates: [  0.926703360000000,  0.573296640000000,  0.250000000000000 ]    mass: 200.590000  - symbol: Hg # 6    coordinates: [  0.073296640000000,  0.426703360000000,  0.750000000000000 ]    mass: 200.590000  - symbol: Hg # 7    coordinates: [  0.573296640000000,  0.926703360000000,  0.750000000000000 ]    mass: 200.590000  - symbol: Hg # 8    coordinates: [  0.426703360000000,  0.073296640000000,  0.250000000000000 ]    mass: 200.590000  - symbol: As # 9    coordinates: [  0.425740510000000,  0.574259490000000,  0.393777090000000 ]    mass: 74.921600  - symbol: As # 10    coordinates: [  0.074259490000000,  0.925740510000000,  0.893777090000000 ]    mass: 74.921600  - symbol: As # 11    coordinates: [  0.574259490000000,  0.425740510000000,  0.606222910000000 ]    mass: 74.921600  - symbol: As # 12    coordinates: [  0.925740510000000,  0.074259490000000,  0.106222910000000 ]    mass: 74.921600  - symbol: S  # 13    coordinates: [  0.141047830000000,  0.300588030000000,  0.895220280000000 ]    mass: 32.065000  - symbol: S  # 14    coordinates: [  0.300588030000000,  0.141047830000000,  0.104779720000000 ]    mass: 32.065000  - symbol: S  # 15    coordinates: [  0.641047830000000,  0.800588030000000,  0.604779720000000 ]    mass: 32.065000  - symbol: S  # 16    coordinates: [  0.699411970000000,  0.858952170000000,  0.895220280000000 ]    mass: 32.065000  - symbol: S  # 17    coordinates: [  0.858952170000000,  0.699411970000000,  0.104779720000000 ]    mass: 32.065000  - symbol: S  # 18    coordinates: [  0.863328680000000,  0.136671320000000,  0.240987070000000 ]    mass: 32.065000  - symbol: S  # 19    coordinates: [  0.363328680000000,  0.636671320000000,  0.259012930000000 ]    mass: 32.065000  - symbol: S  # 20    coordinates: [  0.636671320000000,  0.363328680000000,  0.740987070000000 ]    mass: 32.065000  - symbol: S  # 21    coordinates: [  0.136671320000000,  0.863328680000000,  0.759012930000000 ]    mass: 32.065000  - symbol: S  # 22    coordinates: [  0.199411970000000,  0.358952170000000,  0.604779720000000 ]    mass: 32.065000  - symbol: S  # 23    coordinates: [  0.800588030000000,  0.641047830000000,  0.395220280000000 ]    mass: 32.065000  - symbol: S  # 24    coordinates: [  0.358952170000000,  0.199411970000000,  0.395220280000000 ]    mass: 32.065000  reciprocal_lattice: # without 2pi  - [     0.122953820954744,    -0.110763079730747,     0.000000000000000 ] # a*  - [     0.122953820954744,     0.110763079730747,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.062345203989227 ] # c*unit_cell:  lattice:  - [     8.133134800000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     9.028279120000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    16.039726170000002 ] # c  points:  - symbol: Tl # 1    coordinates: [  0.000000000000000,  0.336396330000000,  0.951625950000000 ]    mass: 204.383300    reduced_to: 1  - symbol: Tl # 2    coordinates: [  0.500000000000000,  0.163603670000000,  0.048374050000000 ]    mass: 204.383300    reduced_to: 2  - symbol: Tl # 3    coordinates: [  0.500000000000000,  0.336396330000000,  0.548374050000000 ]    mass: 204.383300    reduced_to: 3  - symbol: Tl # 4    coordinates: [  0.000000000000000,  0.163603670000000,  0.451625950000000 ]    mass: 204.383300    reduced_to: 4  - symbol: Tl # 5    coordinates: [  0.500000000000000,  0.836396330000000,  0.951625950000000 ]    mass: 204.383300    reduced_to: 1  - symbol: Tl # 6    coordinates: [  0.000000000000000,  0.663603670000000,  0.048374050000000 ]    mass: 204.383300    reduced_to: 2  - symbol: Tl # 7    coordinates: [  0.000000000000000,  0.836396330000000,  0.548374050000000 ]    mass: 204.383300    reduced_to: 3  - symbol: Tl # 8    coordinates: [  0.500000000000000,  0.663603670000000,  0.451625950000000 ]    mass: 204.383300    reduced_to: 4  - symbol: Hg # 9    coordinates: [  0.750000000000000,  0.823296640000000,  0.250000000000000 ]    mass: 200.590000    reduced_to: 9  - symbol: Hg # 10    coordinates: [  0.750000000000000,  0.676703360000000,  0.750000000000000 ]    mass: 200.590000    reduced_to: 10  - symbol: Hg # 11    coordinates: [  0.750000000000000,  0.176703360000000,  0.750000000000000 ]    mass: 200.590000    reduced_to: 11  - symbol: Hg # 12    coordinates: [  0.750000000000000,  0.323296640000000,  0.250000000000000 ]    mass: 200.590000    reduced_to: 12  - symbol: Hg # 13    coordinates: [  0.250000000000000,  0.323296640000000,  0.250000000000000 ]    mass: 200.590000    reduced_to: 9  - symbol: Hg # 14    coordinates: [  0.250000000000000,  0.176703360000000,  0.750000000000000 ]    mass: 200.590000    reduced_to: 10  - symbol: Hg # 15    coordinates: [  0.250000000000000,  0.676703360000000,  0.750000000000000 ]    mass: 200.590000    reduced_to: 11  - symbol: Hg # 16    coordinates: [  0.250000000000000,  0.823296640000000,  0.250000000000000 ]    mass: 200.590000    reduced_to: 12  - symbol: As # 17    coordinates: [  0.500000000000000,  0.074259490000000,  0.393777090000000 ]    mass: 74.921600    reduced_to: 17  - symbol: As # 18    coordinates: [  0.500000000000000,  0.425740510000000,  0.893777090000000 ]    mass: 74.921600    reduced_to: 18  - symbol: As # 19    coordinates: [  0.000000000000000,  0.425740510000000,  0.606222910000000 ]    mass: 74.921600    reduced_to: 19  - symbol: As # 20    coordinates: [  0.000000000000000,  0.074259490000000,  0.106222910000000 ]    mass: 74.921600    reduced_to: 20  - symbol: As # 21    coordinates: [  0.000000000000000,  0.574259490000000,  0.393777090000000 ]    mass: 74.921600    reduced_to: 17  - symbol: As # 22    coordinates: [  0.000000000000000,  0.925740510000000,  0.893777090000000 ]    mass: 74.921600    reduced_to: 18  - symbol: As # 23    coordinates: [  0.500000000000000,  0.925740510000000,  0.606222910000000 ]    mass: 74.921600    reduced_to: 19  - symbol: As # 24    coordinates: [  0.500000000000000,  0.574259490000000,  0.106222910000000 ]    mass: 74.921600    reduced_to: 20  - symbol: S  # 25    coordinates: [  0.720817930000000,  0.579770100000000,  0.895220280000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 26    coordinates: [  0.720817930000000,  0.420229900000000,  0.104779720000000 ]    mass: 32.065000    reduced_to: 26  - symbol: S  # 27    coordinates: [  0.720817930000000,  0.079770100000000,  0.604779720000000 ]    mass: 32.065000    reduced_to: 27  - symbol: S  # 28    coordinates: [  0.779182070000000,  0.079770100000000,  0.895220280000000 ]    mass: 32.065000    reduced_to: 28  - symbol: S  # 29    coordinates: [  0.779182070000000,  0.920229900000000,  0.104779720000000 ]    mass: 32.065000    reduced_to: 29  - symbol: S  # 30    coordinates: [  0.000000000000000,  0.136671320000000,  0.240987070000000 ]    mass: 32.065000    reduced_to: 30  - symbol: S  # 31    coordinates: [  0.500000000000000,  0.136671320000000,  0.259012930000000 ]    mass: 32.065000    reduced_to: 31  - symbol: S  # 32    coordinates: [  0.000000000000000,  0.363328680000000,  0.740987070000000 ]    mass: 32.065000    reduced_to: 32  - symbol: S  # 33    coordinates: [  0.500000000000000,  0.363328680000000,  0.759012930000000 ]    mass: 32.065000    reduced_to: 33  - symbol: S  # 34    coordinates: [  0.779182070000000,  0.579770100000000,  0.604779720000000 ]    mass: 32.065000    reduced_to: 34  - symbol: S  # 35    coordinates: [  0.720817930000000,  0.920229900000000,  0.395220280000000 ]    mass: 32.065000    reduced_to: 35  - symbol: S  # 36    coordinates: [  0.779182070000000,  0.420229900000000,  0.395220280000000 ]    mass: 32.065000    reduced_to: 36  - symbol: S  # 37    coordinates: [  0.220817930000000,  0.079770100000000,  0.895220280000000 ]    mass: 32.065000    reduced_to: 25  - symbol: S  # 38    coordinates: [  0.220817930000000,  0.920229900000000,  0.104779720000000 ]    mass: 32.065000    reduced_to: 26  - symbol: S  # 39    coordinates: [  0.220817930000000,  0.579770100000000,  0.604779720000000 ]    mass: 32.065000    reduced_to: 27  - symbol: S  # 40    coordinates: [  0.279182070000000,  0.579770100000000,  0.895220280000000 ]    mass: 32.065000    reduced_to: 28  - symbol: S  # 41    coordinates: [  0.279182070000000,  0.420229900000000,  0.104779720000000 ]    mass: 32.065000    reduced_to: 29  - symbol: S  # 42    coordinates: [  0.500000000000000,  0.636671320000000,  0.240987070000000 ]    mass: 32.065000    reduced_to: 30  - symbol: S  # 43    coordinates: [  0.000000000000000,  0.636671320000000,  0.259012930000000 ]    mass: 32.065000    reduced_to: 31  - symbol: S  # 44    coordinates: [  0.500000000000000,  0.863328680000000,  0.740987070000000 ]    mass: 32.065000    reduced_to: 32  - symbol: S  # 45    coordinates: [  0.000000000000000,  0.863328680000000,  0.759012930000000 ]    mass: 32.065000    reduced_to: 33  - symbol: S  # 46    coordinates: [  0.279182070000000,  0.079770100000000,  0.604779720000000 ]    mass: 32.065000    reduced_to: 34  - symbol: S  # 47    coordinates: [  0.220817930000000,  0.420229900000000,  0.395220280000000 ]    mass: 32.065000    reduced_to: 35  - symbol: S  # 48    coordinates: [  0.279182070000000,  0.920229900000000,  0.395220280000000 ]    mass: 32.065000    reduced_to: 36supercell:  lattice:  - [    16.266269600000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     9.028279120000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    16.039726170000002 ] # c  points:  - symbol: Tl # 1    coordinates: [  0.000000000000000,  0.336396330000000,  0.951625950000000 ]    mass: 204.383300    reduced_to: 1  - symbol: Tl # 2    coordinates: [  0.500000000000000,  0.336396330000000,  0.951625950000000 ]    mass: 204.383300    reduced_to: 1  - symbol: Tl # 3    coordinates: [  0.250000000000000,  0.163603670000000,  0.048374050000000 ]    mass: 204.383300    reduced_to: 3  - symbol: Tl # 4    coordinates: [  0.750000000000000,  0.163603670000000,  0.048374050000000 ]    mass: 204.383300    reduced_to: 3  - symbol: Tl # 5    coordinates: [  0.250000000000000,  0.336396330000000,  0.548374050000000 ]    mass: 204.383300    reduced_to: 5  - symbol: Tl # 6    coordinates: [  0.750000000000000,  0.336396330000000,  0.548374050000000 ]    mass: 204.383300    reduced_to: 5  - symbol: Tl # 7    coordinates: [  0.000000000000000,  0.163603670000000,  0.451625950000000 ]    mass: 204.383300    reduced_to: 7  - symbol: Tl # 8    coordinates: [  0.500000000000000,  0.163603670000000,  0.451625950000000 ]    mass: 204.383300    reduced_to: 7  - symbol: Tl # 9    coordinates: [  0.250000000000000,  0.836396330000000,  0.951625950000000 ]    mass: 204.383300    reduced_to: 1  - symbol: Tl # 10    coordinates: [  0.750000000000000,  0.836396330000000,  0.951625950000000 ]    mass: 204.383300    reduced_to: 1  - symbol: Tl # 11    coordinates: [  0.000000000000000,  0.663603670000000,  0.048374050000000 ]    mass: 204.383300    reduced_to: 3  - symbol: Tl # 12    coordinates: [  0.500000000000000,  0.663603670000000,  0.048374050000000 ]    mass: 204.383300    reduced_to: 3  - symbol: Tl # 13    coordinates: [  0.000000000000000,  0.836396330000000,  0.548374050000000 ]    mass: 204.383300    reduced_to: 5  - symbol: Tl # 14    coordinates: [  0.500000000000000,  0.836396330000000,  0.548374050000000 ]    mass: 204.383300    reduced_to: 5  - symbol: Tl # 15    coordinates: [  0.250000000000000,  0.663603670000000,  0.451625950000000 ]    mass: 204.383300    reduced_to: 7  - symbol: Tl # 16    coordinates: [  0.750000000000000,  0.663603670000000,  0.451625950000000 ]    mass: 204.383300    reduced_to: 7  - symbol: Hg # 17    coordinates: [  0.375000000000000,  0.823296640000000,  0.250000000000000 ]    mass: 200.590000    reduced_to: 17  - symbol: Hg # 18    coordinates: [  0.875000000000000,  0.823296640000000,  0.250000000000000 ]    mass: 200.590000    reduced_to: 17  - symbol: Hg # 19    coordinates: [  0.375000000000000,  0.676703360000000,  0.750000000000000 ]    mass: 200.590000    reduced_to: 19  - symbol: Hg # 20    coordinates: [  0.875000000000000,  0.676703360000000,  0.750000000000000 ]    mass: 200.590000    reduced_to: 19  - symbol: Hg # 21    coordinates: [  0.375000000000000,  0.176703360000000,  0.750000000000000 ]    mass: 200.590000    reduced_to: 21  - symbol: Hg # 22    coordinates: [  0.875000000000000,  0.176703360000000,  0.750000000000000 ]    mass: 200.590000    reduced_to: 21  - symbol: Hg # 23    coordinates: [  0.375000000000000,  0.323296640000000,  0.250000000000000 ]    mass: 200.590000    reduced_to: 23  - symbol: Hg # 24    coordinates: [  0.875000000000000,  0.323296640000000,  0.250000000000000 ]    mass: 200.590000    reduced_to: 23  - symbol: Hg # 25    coordinates: [  0.125000000000000,  0.323296640000000,  0.250000000000000 ]    mass: 200.590000    reduced_to: 17  - symbol: Hg # 26    coordinates: [  0.625000000000000,  0.323296640000000,  0.250000000000000 ]    mass: 200.590000    reduced_to: 17  - symbol: Hg # 27    coordinates: [  0.125000000000000,  0.176703360000000,  0.750000000000000 ]    mass: 200.590000    reduced_to: 19  - symbol: Hg # 28    coordinates: [  0.625000000000000,  0.176703360000000,  0.750000000000000 ]    mass: 200.590000    reduced_to: 19  - symbol: Hg # 29    coordinates: [  0.125000000000000,  0.676703360000000,  0.750000000000000 ]    mass: 200.590000    reduced_to: 21  - symbol: Hg # 30    coordinates: [  0.625000000000000,  0.676703360000000,  0.750000000000000 ]    mass: 200.590000    reduced_to: 21  - symbol: Hg # 31    coordinates: [  0.125000000000000,  0.823296640000000,  0.250000000000000 ]    mass: 200.590000    reduced_to: 23  - symbol: Hg # 32    coordinates: [  0.625000000000000,  0.823296640000000,  0.250000000000000 ]    mass: 200.590000    reduced_to: 23  - symbol: As # 33    coordinates: [  0.250000000000000,  0.074259490000000,  0.393777090000000 ]    mass: 74.921600    reduced_to: 33  - symbol: As # 34    coordinates: [  0.750000000000000,  0.074259490000000,  0.393777090000000 ]    mass: 74.921600    reduced_to: 33  - symbol: As # 35    coordinates: [  0.250000000000000,  0.425740510000000,  0.893777090000000 ]    mass: 74.921600    reduced_to: 35  - symbol: As # 36    coordinates: [  0.750000000000000,  0.425740510000000,  0.893777090000000 ]    mass: 74.921600    reduced_to: 35  - symbol: As # 37    coordinates: [  0.000000000000000,  0.425740510000000,  0.606222910000000 ]    mass: 74.921600    reduced_to: 37  - symbol: As # 38    coordinates: [  0.500000000000000,  0.425740510000000,  0.606222910000000 ]    mass: 74.921600    reduced_to: 37  - symbol: As # 39    coordinates: [  0.000000000000000,  0.074259490000000,  0.106222910000000 ]    mass: 74.921600    reduced_to: 39  - symbol: As # 40    coordinates: [  0.500000000000000,  0.074259490000000,  0.106222910000000 ]    mass: 74.921600    reduced_to: 39  - symbol: As # 41    coordinates: [  0.000000000000000,  0.574259490000000,  0.393777090000000 ]    mass: 74.921600    reduced_to: 33  - symbol: As # 42    coordinates: [  0.500000000000000,  0.574259490000000,  0.393777090000000 ]    mass: 74.921600    reduced_to: 33  - symbol: As # 43    coordinates: [  0.000000000000000,  0.925740510000000,  0.893777090000000 ]    mass: 74.921600    reduced_to: 35  - symbol: As # 44    coordinates: [  0.500000000000000,  0.925740510000000,  0.893777090000000 ]    mass: 74.921600    reduced_to: 35  - symbol: As # 45    coordinates: [  0.250000000000000,  0.925740510000000,  0.606222910000000 ]    mass: 74.921600    reduced_to: 37  - symbol: As # 46    coordinates: [  0.750000000000000,  0.925740510000000,  0.606222910000000 ]    mass: 74.921600    reduced_to: 37  - symbol: As # 47    coordinates: [  0.250000000000000,  0.574259490000000,  0.106222910000000 ]    mass: 74.921600    reduced_to: 39  - symbol: As # 48    coordinates: [  0.750000000000000,  0.574259490000000,  0.106222910000000 ]    mass: 74.921600    reduced_to: 39  - symbol: S  # 49    coordinates: [  0.360408965000000,  0.579770100000000,  0.895220280000000 ]    mass: 32.065000    reduced_to: 49  - symbol: S  # 50    coordinates: [  0.860408965000000,  0.579770100000000,  0.895220280000000 ]    mass: 32.065000    reduced_to: 49  - symbol: S  # 51    coordinates: [  0.360408965000000,  0.420229900000000,  0.104779720000000 ]    mass: 32.065000    reduced_to: 51  - symbol: S  # 52    coordinates: [  0.860408965000000,  0.420229900000000,  0.104779720000000 ]    mass: 32.065000    reduced_to: 51  - symbol: S  # 53    coordinates: [  0.360408965000000,  0.079770100000000,  0.604779720000000 ]    mass: 32.065000    reduced_to: 53  - symbol: S  # 54    coordinates: [  0.860408965000000,  0.079770100000000,  0.604779720000000 ]    mass: 32.065000    reduced_to: 53  - symbol: S  # 55    coordinates: [  0.389591035000000,  0.079770100000000,  0.895220280000000 ]    mass: 32.065000    reduced_to: 55  - symbol: S  # 56    coordinates: [  0.889591035000000,  0.079770100000000,  0.895220280000000 ]    mass: 32.065000    reduced_to: 55  - symbol: S  # 57    coordinates: [  0.389591035000000,  0.920229900000000,  0.104779720000000 ]    mass: 32.065000    reduced_to: 57  - symbol: S  # 58    coordinates: [  0.889591035000000,  0.920229900000000,  0.104779720000000 ]    mass: 32.065000    reduced_to: 57  - symbol: S  # 59    coordinates: [  0.000000000000000,  0.136671320000000,  0.240987070000000 ]    mass: 32.065000    reduced_to: 59  - symbol: S  # 60    coordinates: [  0.500000000000000,  0.136671320000000,  0.240987070000000 ]    mass: 32.065000    reduced_to: 59  - symbol: S  # 61    coordinates: [  0.250000000000000,  0.136671320000000,  0.259012930000000 ]    mass: 32.065000    reduced_to: 61  - symbol: S  # 62    coordinates: [  0.750000000000000,  0.136671320000000,  0.259012930000000 ]    mass: 32.065000    reduced_to: 61  - symbol: S  # 63    coordinates: [  0.000000000000000,  0.363328680000000,  0.740987070000000 ]    mass: 32.065000    reduced_to: 63  - symbol: S  # 64    coordinates: [  0.500000000000000,  0.363328680000000,  0.740987070000000 ]    mass: 32.065000    reduced_to: 63  - symbol: S  # 65    coordinates: [  0.250000000000000,  0.363328680000000,  0.759012930000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 66    coordinates: [  0.750000000000000,  0.363328680000000,  0.759012930000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 67    coordinates: [  0.389591035000000,  0.579770100000000,  0.604779720000000 ]    mass: 32.065000    reduced_to: 67  - symbol: S  # 68    coordinates: [  0.889591035000000,  0.579770100000000,  0.604779720000000 ]    mass: 32.065000    reduced_to: 67  - symbol: S  # 69    coordinates: [  0.360408965000000,  0.920229900000000,  0.395220280000000 ]    mass: 32.065000    reduced_to: 69  - symbol: S  # 70    coordinates: [  0.860408965000000,  0.920229900000000,  0.395220280000000 ]    mass: 32.065000    reduced_to: 69  - symbol: S  # 71    coordinates: [  0.389591035000000,  0.420229900000000,  0.395220280000000 ]    mass: 32.065000    reduced_to: 71  - symbol: S  # 72    coordinates: [  0.889591035000000,  0.420229900000000,  0.395220280000000 ]    mass: 32.065000    reduced_to: 71  - symbol: S  # 73    coordinates: [  0.110408965000000,  0.079770100000000,  0.895220280000000 ]    mass: 32.065000    reduced_to: 49  - symbol: S  # 74    coordinates: [  0.610408965000000,  0.079770100000000,  0.895220280000000 ]    mass: 32.065000    reduced_to: 49  - symbol: S  # 75    coordinates: [  0.110408965000000,  0.920229900000000,  0.104779720000000 ]    mass: 32.065000    reduced_to: 51  - symbol: S  # 76    coordinates: [  0.610408965000000,  0.920229900000000,  0.104779720000000 ]    mass: 32.065000    reduced_to: 51  - symbol: S  # 77    coordinates: [  0.110408965000000,  0.579770100000000,  0.604779720000000 ]    mass: 32.065000    reduced_to: 53  - symbol: S  # 78    coordinates: [  0.610408965000000,  0.579770100000000,  0.604779720000000 ]    mass: 32.065000    reduced_to: 53  - symbol: S  # 79    coordinates: [  0.139591035000000,  0.579770100000000,  0.895220280000000 ]    mass: 32.065000    reduced_to: 55  - symbol: S  # 80    coordinates: [  0.639591035000000,  0.579770100000000,  0.895220280000000 ]    mass: 32.065000    reduced_to: 55  - symbol: S  # 81    coordinates: [  0.139591035000000,  0.420229900000000,  0.104779720000000 ]    mass: 32.065000    reduced_to: 57  - symbol: S  # 82    coordinates: [  0.639591035000000,  0.420229900000000,  0.104779720000000 ]    mass: 32.065000    reduced_to: 57  - symbol: S  # 83    coordinates: [  0.250000000000000,  0.636671320000000,  0.240987070000000 ]    mass: 32.065000    reduced_to: 59  - symbol: S  # 84    coordinates: [  0.750000000000000,  0.636671320000000,  0.240987070000000 ]    mass: 32.065000    reduced_to: 59  - symbol: S  # 85    coordinates: [  0.000000000000000,  0.636671320000000,  0.259012930000000 ]    mass: 32.065000    reduced_to: 61  - symbol: S  # 86    coordinates: [  0.500000000000000,  0.636671320000000,  0.259012930000000 ]    mass: 32.065000    reduced_to: 61  - symbol: S  # 87    coordinates: [  0.250000000000000,  0.863328680000000,  0.740987070000000 ]    mass: 32.065000    reduced_to: 63  - symbol: S  # 88    coordinates: [  0.750000000000000,  0.863328680000000,  0.740987070000000 ]    mass: 32.065000    reduced_to: 63  - symbol: S  # 89    coordinates: [  0.000000000000000,  0.863328680000000,  0.759012930000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 90    coordinates: [  0.500000000000000,  0.863328680000000,  0.759012930000000 ]    mass: 32.065000    reduced_to: 65  - symbol: S  # 91    coordinates: [  0.139591035000000,  0.079770100000000,  0.604779720000000 ]    mass: 32.065000    reduced_to: 67  - symbol: S  # 92    coordinates: [  0.639591035000000,  0.079770100000000,  0.604779720000000 ]    mass: 32.065000    reduced_to: 67  - symbol: S  # 93    coordinates: [  0.110408965000000,  0.420229900000000,  0.395220280000000 ]    mass: 32.065000    reduced_to: 69  - symbol: S  # 94    coordinates: [  0.610408965000000,  0.420229900000000,  0.395220280000000 ]    mass: 32.065000    reduced_to: 69  - symbol: S  # 95    coordinates: [  0.139591035000000,  0.920229900000000,  0.395220280000000 ]    mass: 32.065000    reduced_to: 71  - symbol: S  # 96    coordinates: [  0.639591035000000,  0.920229900000000,  0.395220280000000 ]    mass: 32.065000    reduced_to: 71displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0124877700000000, -0.0003577000000000,  0.0000143800000000 ]  - [   0.0006382100000000, -0.0004027900000000, -0.0000403300000000 ]  - [   0.0011394900000000, -0.0001353300000000,  0.0005475200000000 ]  - [   0.0011324100000000,  0.0009334000000000, -0.0004613500000000 ]  - [   0.0000395800000000, -0.0002648200000000, -0.0001001500000000 ]  - [   0.0000416600000000, -0.0005402800000000,  0.0001815400000000 ]  - [  -0.0003372600000000,  0.0004039400000000, -0.0000419100000000 ]  - [   0.0002543500000000,  0.0004031600000000, -0.0000411500000000 ]  - [   0.0009550100000000, -0.0002455300000000,  0.0002249700000000 ]  - [   0.0009587000000000, -0.0005580100000000, -0.0003046400000000 ]  - [  -0.0025667300000000,  0.0003819400000000,  0.0000326900000000 ]  - [   0.0006047600000000,  0.0004029900000000,  0.0000403300000000 ]  - [  -0.0002654200000000, -0.0004028400000000,  0.0000407400000000 ]  - [   0.0002926400000000, -0.0004027900000000,  0.0000407200000000 ]  - [  -0.0000130200000000,  0.0003313000000000,  0.0000078300000000 ]  - [  -0.0000122000000000,  0.0004749300000000, -0.0000902200000000 ]  - [   0.0005015000000000,  0.0000870900000000,  0.0000796600000000 ]  - [  -0.0003722300000000, -0.0000567000000000, -0.0000934100000000 ]  - [   0.0005586000000000,  0.0002056700000000, -0.0003727000000000 ]  - [  -0.0008587200000000, -0.0009819800000000,  0.0015020100000000 ]  - [   0.0006536200000000, -0.0001099700000000, -0.0000736500000000 ]  - [  -0.0001381600000000, -0.0007503500000000,  0.0021910800000000 ]  - [   0.0003303200000000, -0.0001986600000000,  0.0002669300000000 ]  - [  -0.0005762700000000,  0.0009246300000000, -0.0011291500000000 ]  - [  -0.0005825000000000, -0.0010167800000000,  0.0011359800000000 ]  - [   0.0003311400000000,  0.0001150800000000, -0.0002663700000000 ]  - [  -0.0001426500000000,  0.0008332900000000, -0.0021966100000000 ]  - [   0.0006522500000000,  0.0001918500000000,  0.0000732000000000 ]  - [  -0.0008593900000000,  0.0010683100000000, -0.0015109500000000 ]  - [   0.0005590800000000, -0.0001217000000000,  0.0003711800000000 ]  - [  -0.0003738100000000, -0.0000224200000000,  0.0000867900000000 ]  - [   0.0005039100000000, -0.0001703800000000, -0.0000790300000000 ]  - [  -0.0000965600000000, -0.0006746100000000, -0.0002118200000000 ]  - [  -0.0000951400000000, -0.0005283100000000, -0.0006148000000000 ]  - [   0.0028383100000000,  0.0000153000000000, -0.0011517000000000 ]  - [   0.0028126300000000,  0.0011979700000000,  0.0003116100000000 ]  - [  -0.0000235200000000,  0.0005935100000000,  0.0004129300000000 ]  - [   0.0002895200000000,  0.0006045000000000,  0.0004151300000000 ]  - [  -0.0006159400000000, -0.0005903200000000,  0.0004000400000000 ]  - [   0.0005621800000000, -0.0005975200000000,  0.0004121400000000 ]  - [  -0.0003348700000000, -0.0006028900000000, -0.0004140300000000 ]  - [   0.0001719900000000, -0.0006007900000000, -0.0004127500000000 ]  - [  -0.0074763900000000,  0.0006112700000000, -0.0004061800000000 ]  - [   0.0007655900000000,  0.0005970200000000, -0.0004088400000000 ]  - [   0.0000155400000000,  0.0006792400000000, -0.0000734800000000 ]  - [   0.0000161200000000,  0.0005225400000000,  0.0008982100000000 ]  - [   0.0019216300000000,  0.0005504600000000,  0.0004702300000000 ]  - [   0.0019130700000000, -0.0017463700000000,  0.0003601700000000 ]  - [  -0.0009887900000000, -0.0003591900000000,  0.0006151600000000 ]  - [   0.0012754500000000, -0.0015195200000000,  0.0004913300000000 ]  - [  -0.0006144500000000,  0.0001562200000000, -0.0004930900000000 ]  - [  -0.0002036800000000,  0.0005780700000000, -0.0002963700000000 ]  - [  -0.0002193700000000, -0.0002584200000000, -0.0000263100000000 ]  - [   0.0002312600000000,  0.0000325400000000, -0.0005768200000000 ]  - [  -0.0008956200000000, -0.0000689800000000,  0.0003195700000000 ]  - [   0.0055991900000000,  0.0010945400000000,  0.0013198700000000 ]  - [  -0.0007937800000000,  0.0001247700000000, -0.0002863100000000 ]  - [   0.0004906500000000,  0.0002237700000000, -0.0003051900000000 ]  - [   0.0005858600000000, -0.0000213600000000, -0.0000761300000000 ]  - [  -0.0003694000000000, -0.0000223400000000, -0.0000854000000000 ]  - [  -0.0000715800000000,  0.0001660600000000, -0.0002905800000000 ]  - [  -0.0000730300000000, -0.0002093400000000,  0.0004594700000000 ]  - [  -0.0001082900000000,  0.0000269900000000, -0.0000854300000000 ]  - [  -0.0004282500000000,  0.0000226000000000, -0.0000840200000000 ]  - [  -0.0004097100000000,  0.0002993500000000,  0.0006206400000000 ]  - [  -0.0004084000000000, -0.0002518000000000, -0.0004459700000000 ]  - [  -0.0004596300000000, -0.0000867900000000, -0.0001363700000000 ]  - [   0.0003790900000000, -0.0001336500000000, -0.0001020700000000 ]  - [  -0.0000896100000000,  0.0001607100000000,  0.0000320000000000 ]  - [   0.0002837300000000,  0.0000422000000000,  0.0002217700000000 ]  - [  -0.0003316700000000,  0.0001254400000000,  0.0001957600000000 ]  - [   0.0002439400000000,  0.0000636800000000,  0.0004165500000000 ]  - [   0.0058967200000000, -0.0014998100000000, -0.0009301600000000 ]  - [  -0.0006878100000000, -0.0002078300000000,  0.0001206400000000 ]  - [   0.0007143500000000,  0.0000507800000000, -0.0001235600000000 ]  - [  -0.0005880500000000,  0.0001546200000000, -0.0001563600000000 ]  - [   0.0005873400000000, -0.0001416200000000, -0.0003358100000000 ]  - [  -0.0002538200000000, -0.0001904800000000, -0.0003035400000000 ]  - [   0.0011295100000000,  0.0013025500000000, -0.0000746000000000 ]  - [  -0.0011952900000000,  0.0000756900000000, -0.0001705200000000 ]  - [  -0.0003869600000000, -0.0002863200000000, -0.0001263200000000 ]  - [  -0.0008216700000000,  0.0001206400000000,  0.0000503900000000 ]  - [  -0.0004432700000000, -0.0006998200000000, -0.0006561300000000 ]  - [  -0.0004461700000000,  0.0006513800000000,  0.0004857200000000 ]  - [   0.0004249300000000, -0.0000239400000000,  0.0000862700000000 ]  - [  -0.0003005500000000, -0.0000223000000000,  0.0000846600000000 ]  - [  -0.0002454800000000, -0.0001559100000000,  0.0006637500000000 ]  - [  -0.0002456700000000,  0.0002003400000000, -0.0008322600000000 ]  - [   0.0018708400000000,  0.0000238500000000,  0.0000859100000000 ]  - [  -0.0005681500000000,  0.0000218200000000,  0.0000846900000000 ]  - [   0.0000261200000000, -0.0003104700000000,  0.0001375700000000 ]  - [  -0.0004253700000000, -0.0000188800000000, -0.0004128100000000 ]  - [   0.0004517400000000,  0.0002153800000000,  0.0000231900000000 ]  - [  -0.0001262200000000,  0.0001526700000000,  0.0002455000000000 ]  - [   0.0000798200000000,  0.0002352100000000,  0.0002202500000000 ]  - [  -0.0002960900000000,  0.0001173500000000,  0.0004086200000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000, -0.0241331600000000, -0.0063997200000000 ]  - [   0.0000000000000000, -0.0005903500000000, -0.0000767100000000 ]  - [  -0.0005339700000000,  0.0001330600000000, -0.0003869500000000 ]  - [   0.0005339700000000,  0.0001330600000000, -0.0003869500000000 ]  - [  -0.0001376500000000, -0.0004529400000000,  0.0000566100000000 ]  - [   0.0001376500000000, -0.0004529400000000,  0.0000566100000000 ]  - [   0.0000000000000000,  0.0002596800000000, -0.0001816600000000 ]  - [   0.0000000000000000,  0.0004266100000000, -0.0000607700000000 ]  - [  -0.0001571500000000,  0.0010213800000000, -0.0000626400000000 ]  - [   0.0001571500000000,  0.0010213800000000, -0.0000626400000000 ]  - [   0.0000000000000000,  0.0097217100000000,  0.0048442800000000 ]  - [   0.0000000000000000,  0.0005685100000000,  0.0001356200000000 ]  - [   0.0000000000000000, -0.0002679400000000,  0.0001931000000000 ]  - [   0.0000000000000000, -0.0004191600000000,  0.0000456200000000 ]  - [  -0.0000715600000000,  0.0004157500000000,  0.0000086500000000 ]  - [   0.0000715600000000,  0.0004157500000000,  0.0000086500000000 ]  - [   0.0000683200000000,  0.0000169200000000,  0.0000281200000000 ]  - [   0.0000427400000000,  0.0002084500000000, -0.0000945000000000 ]  - [  -0.0000984500000000,  0.0001600300000000, -0.0002232500000000 ]  - [   0.0007479000000000,  0.0014292000000000, -0.0012946800000000 ]  - [   0.0000157800000000, -0.0000247900000000, -0.0000518400000000 ]  - [   0.0005608700000000, -0.0016646100000000,  0.0024363100000000 ]  - [   0.0000312400000000, -0.0000669300000000,  0.0000814100000000 ]  - [   0.0004630100000000, -0.0006087400000000,  0.0004537600000000 ]  - [  -0.0004630100000000, -0.0006087400000000,  0.0004537600000000 ]  - [  -0.0000312400000000, -0.0000669300000000,  0.0000814100000000 ]  - [  -0.0005608700000000, -0.0016646100000000,  0.0024363100000000 ]  - [  -0.0000157800000000, -0.0000247900000000, -0.0000518400000000 ]  - [  -0.0007479000000000,  0.0014292000000000, -0.0012946800000000 ]  - [   0.0000984500000000,  0.0001600300000000, -0.0002232500000000 ]  - [  -0.0000427400000000,  0.0002084500000000, -0.0000945000000000 ]  - [  -0.0000683200000000,  0.0000169200000000,  0.0000281200000000 ]  - [  -0.0001730200000000, -0.0006644400000000, -0.0002506700000000 ]  - [   0.0001730200000000, -0.0006644400000000, -0.0002506700000000 ]  - [   0.0022081100000000, -0.0016397000000000, -0.0007968100000000 ]  - [  -0.0022081100000000, -0.0016397000000000, -0.0007968100000000 ]  - [   0.0000000000000000,  0.0009278500000000,  0.0013724800000000 ]  - [   0.0000000000000000,  0.0006479500000000,  0.0003335000000000 ]  - [   0.0000000000000000,  0.0043800800000000, -0.0036338400000000 ]  - [   0.0000000000000000, -0.0006769300000000,  0.0004671200000000 ]  - [   0.0000000000000000, -0.0007289900000000, -0.0005063100000000 ]  - [   0.0000000000000000, -0.0006548500000000, -0.0004015100000000 ]  - [   0.0000000000000000,  0.0072217700000000,  0.0010173200000000 ]  - [   0.0000000000000000,  0.0006285700000000, -0.0004384200000000 ]  - [  -0.0003701500000000,  0.0005976100000000,  0.0001862400000000 ]  - [   0.0003701500000000,  0.0005976100000000,  0.0001862400000000 ]  - [   0.0006167300000000,  0.0001722100000000,  0.0004255000000000 ]  - [  -0.0006167300000000,  0.0001722100000000,  0.0004255000000000 ]  - [  -0.0006813800000000, -0.0005140400000000,  0.0002202600000000 ]  - [  -0.0001286400000000,  0.0021774900000000,  0.0000427800000000 ]  - [  -0.0001286500000000,  0.0002630800000000, -0.0002024500000000 ]  - [   0.0001451600000000, -0.0001317700000000, -0.0003457900000000 ]  - [   0.0001173300000000, -0.0001476300000000, -0.0000255400000000 ]  - [  -0.0001093000000000, -0.0000227900000000, -0.0005442500000000 ]  - [  -0.0001695700000000, -0.0001683500000000,  0.0002832300000000 ]  - [   0.0040922400000000,  0.0036743400000000,  0.0015144800000000 ]  - [  -0.0000374000000000,  0.0001024500000000, -0.0002169400000000 ]  - [   0.0001217700000000, -0.0021382000000000,  0.0001760000000000 ]  - [   0.0000000000000000, -0.0002154200000000,  0.0017538000000000 ]  - [   0.0000000000000000,  0.0000179300000000, -0.0001136200000000 ]  - [   0.0000215600000000,  0.0001057000000000, -0.0001545200000000 ]  - [  -0.0000215600000000,  0.0001057000000000, -0.0001545200000000 ]  - [   0.0000000000000000, -0.0003493000000000, -0.0004780900000000 ]  - [   0.0000000000000000,  0.0000518000000000,  0.0000258000000000 ]  - [   0.0001791800000000,  0.0008207500000000,  0.0004803100000000 ]  - [  -0.0001791800000000,  0.0008207500000000,  0.0004803100000000 ]  - [  -0.0000109100000000, -0.0001726400000000, -0.0002294600000000 ]  - [  -0.0003829000000000, -0.0002326600000000, -0.0006060800000000 ]  - [   0.0001088800000000,  0.0001635900000000,  0.0000967800000000 ]  - [  -0.0000518600000000,  0.0001057400000000,  0.0001906100000000 ]  - [  -0.0000756700000000,  0.0001382700000000,  0.0002091500000000 ]  - [  -0.0001715300000000,  0.0002549500000000,  0.0002359200000000 ]  - [  -0.0040922400000000,  0.0036743400000000,  0.0015144800000000 ]  - [   0.0001695700000000, -0.0001683500000000,  0.0002832300000000 ]  - [  -0.0001217700000000, -0.0021382000000000,  0.0001760000000000 ]  - [   0.0000374000000000,  0.0001024500000000, -0.0002169400000000 ]  - [   0.0003829000000000, -0.0002326600000000, -0.0006060800000000 ]  - [   0.0000109100000000, -0.0001726400000000, -0.0002294600000000 ]  - [   0.0001286400000000,  0.0021774900000000,  0.0000427800000000 ]  - [   0.0006813800000000, -0.0005140400000000,  0.0002202600000000 ]  - [  -0.0001451600000000, -0.0001317700000000, -0.0003457900000000 ]  - [   0.0001286500000000,  0.0002630800000000, -0.0002024500000000 ]  - [   0.0000019200000000, -0.0004300200000000, -0.0002761800000000 ]  - [  -0.0000019200000000, -0.0004300200000000, -0.0002761800000000 ]  - [   0.0000000000000000,  0.0000821000000000, -0.0000522800000000 ]  - [   0.0000000000000000, -0.0000265900000000,  0.0000199600000000 ]  - [   0.0001902800000000, -0.0004408600000000,  0.0002472700000000 ]  - [  -0.0001902800000000, -0.0004408600000000,  0.0002472700000000 ]  - [   0.0000000000000000, -0.0017477700000000, -0.0012654500000000 ]  - [   0.0000000000000000, -0.0000038800000000,  0.0001781900000000 ]  - [   0.0001093000000000, -0.0000227900000000, -0.0005442500000000 ]  - [  -0.0001173300000000, -0.0001476300000000, -0.0000255400000000 ]  - [   0.0001715300000000,  0.0002549500000000,  0.0002359200000000 ]  - [   0.0000756700000000,  0.0001382700000000,  0.0002091500000000 ]  - [   0.0000518600000000,  0.0001057400000000,  0.0001906100000000 ]  - [  -0.0001088800000000,  0.0001635900000000,  0.0000967800000000 ]- atom:    1  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000,  0.0234775500000000,  0.0063528900000000 ]  - [   0.0000000000000000, -0.0002169600000000, -0.0000036800000000 ]  - [   0.0005347900000000,  0.0006793700000000,  0.0004694000000000 ]  - [  -0.0005347900000000,  0.0006793700000000,  0.0004694000000000 ]  - [   0.0001378200000000, -0.0003525300000000,  0.0000251600000000 ]  - [  -0.0001378200000000, -0.0003525300000000,  0.0000251600000000 ]  - [   0.0000000000000000,  0.0005491200000000,  0.0001002400000000 ]  - [   0.0000000000000000,  0.0003794100000000, -0.0000224400000000 ]  - [   0.0001553200000000, -0.0018278300000000, -0.0000165400000000 ]  - [  -0.0001553200000000, -0.0018278300000000, -0.0000165400000000 ]  - [   0.0000000000000000, -0.0087440400000000, -0.0046372200000000 ]  - [   0.0000000000000000,  0.0002384200000000, -0.0000529400000000 ]  - [   0.0000000000000000, -0.0005384900000000, -0.0001114900000000 ]  - [   0.0000000000000000, -0.0003866500000000,  0.0000366100000000 ]  - [   0.0000720400000000,  0.0003905100000000, -0.0000922400000000 ]  - [  -0.0000720400000000,  0.0003905100000000, -0.0000922400000000 ]  - [  -0.0000730600000000, -0.0001026400000000, -0.0000286400000000 ]  - [  -0.0000462900000000, -0.0002956100000000,  0.0000984100000000 ]  - [   0.0000995400000000, -0.0000764300000000,  0.0002225100000000 ]  - [  -0.0007505300000000, -0.0013456400000000,  0.0012892200000000 ]  - [  -0.0000134500000000,  0.0001062400000000,  0.0000518400000000 ]  - [  -0.0005569500000000,  0.0017620900000000, -0.0024464800000000 ]  - [  -0.0000311200000000, -0.0000158700000000, -0.0000825900000000 ]  - [  -0.0004672100000000,  0.0005334300000000, -0.0004592400000000 ]  - [   0.0004672100000000,  0.0005334300000000, -0.0004592400000000 ]  - [   0.0000311200000000, -0.0000158700000000, -0.0000825900000000 ]  - [   0.0005569500000000,  0.0017620900000000, -0.0024464800000000 ]  - [   0.0000134500000000,  0.0001062400000000,  0.0000518400000000 ]  - [   0.0007505300000000, -0.0013456400000000,  0.0012892200000000 ]  - [  -0.0000995400000000, -0.0000764300000000,  0.0002225100000000 ]  - [   0.0000462900000000, -0.0002956100000000,  0.0000984100000000 ]  - [   0.0000730600000000, -0.0001026400000000, -0.0000286400000000 ]  - [   0.0001747600000000, -0.0005440000000000, -0.0005823700000000 ]  - [  -0.0001747600000000, -0.0005440000000000, -0.0005823700000000 ]  - [  -0.0022056800000000,  0.0028308500000000, -0.0000270300000000 ]  - [   0.0022056800000000,  0.0028308500000000, -0.0000270300000000 ]  - [   0.0000000000000000,  0.0002730800000000, -0.0005384000000000 ]  - [   0.0000000000000000,  0.0005646200000000,  0.0004990500000000 ]  - [   0.0000000000000000, -0.0056348000000000,  0.0045178800000000 ]  - [   0.0000000000000000, -0.0005278000000000,  0.0003621700000000 ]  - [   0.0000000000000000, -0.0004842200000000, -0.0003243600000000 ]  - [   0.0000000000000000, -0.0005579900000000, -0.0004337500000000 ]  - [   0.0000000000000000, -0.0061039700000000, -0.0018734700000000 ]  - [   0.0000000000000000,  0.0005808200000000, -0.0003934400000000 ]  - [   0.0003714300000000,  0.0006062500000000,  0.0006399600000000 ]  - [  -0.0003714300000000,  0.0006062500000000,  0.0006399600000000 ]  - [  -0.0006318900000000, -0.0013843300000000,  0.0004073300000000 ]  - [   0.0006318900000000, -0.0013843300000000,  0.0004073300000000 ]  - [   0.0008850800000000,  0.0002378800000000,  0.0002187300000000 ]  - [   0.0002776900000000, -0.0023802900000000,  0.0003677100000000 ]  - [   0.0003381100000000,  0.0000105000000000, -0.0002376600000000 ]  - [   0.0000424100000000,  0.0004232900000000, -0.0000902300000000 ]  - [   0.0000908700000000, -0.0001269200000000, -0.0004136700000000 ]  - [   0.0003184500000000, -0.0002538200000000,  0.0001061900000000 ]  - [  -0.0000392700000000, -0.0001070200000000,  0.0001564900000000 ]  - [  -0.0044490900000000, -0.0041381600000000, -0.0011462800000000 ]  - [  -0.0001680100000000,  0.0001765500000000, -0.0002243700000000 ]  - [  -0.0003292400000000,  0.0023988500000000, -0.0006214700000000 ]  - [   0.0000000000000000,  0.0001728500000000, -0.0019278600000000 ]  - [   0.0000000000000000, -0.0000626700000000, -0.0000530300000000 ]  - [  -0.0000222500000000, -0.0001516300000000,  0.0003236100000000 ]  - [   0.0000222500000000, -0.0001516300000000,  0.0003236100000000 ]  - [   0.0000000000000000,  0.0004001600000000,  0.0003150600000000 ]  - [   0.0000000000000000, -0.0000072900000000, -0.0001899100000000 ]  - [  -0.0001835700000000, -0.0007761400000000, -0.0003120800000000 ]  - [   0.0001835700000000, -0.0007761400000000, -0.0003120800000000 ]  - [  -0.0001979800000000, -0.0001030500000000, -0.0002095700000000 ]  - [   0.0001752500000000, -0.0000418700000000,  0.0001691700000000 ]  - [   0.0000963100000000,  0.0001162000000000,  0.0003467000000000 ]  - [   0.0002588800000000,  0.0001725000000000,  0.0002504000000000 ]  - [  -0.0001310700000000,  0.0001390100000000,  0.0002319400000000 ]  - [  -0.0000348100000000,  0.0000209000000000,  0.0002057100000000 ]  - [   0.0044490900000000, -0.0041381600000000, -0.0011462800000000 ]  - [   0.0000392700000000, -0.0001070200000000,  0.0001564900000000 ]  - [   0.0003292400000000,  0.0023988500000000, -0.0006214700000000 ]  - [   0.0001680100000000,  0.0001765500000000, -0.0002243700000000 ]  - [  -0.0001752500000000, -0.0000418700000000,  0.0001691700000000 ]  - [   0.0001979800000000, -0.0001030500000000, -0.0002095700000000 ]  - [  -0.0002776900000000, -0.0023802900000000,  0.0003677100000000 ]  - [  -0.0008850800000000,  0.0002378800000000,  0.0002187300000000 ]  - [  -0.0000424100000000,  0.0004232900000000, -0.0000902300000000 ]  - [  -0.0003381100000000,  0.0000105000000000, -0.0002376600000000 ]  - [   0.0000040200000000,  0.0003940200000000,  0.0001157200000000 ]  - [  -0.0000040200000000,  0.0003940200000000,  0.0001157200000000 ]  - [   0.0000000000000000, -0.0001217400000000,  0.0002114800000000 ]  - [   0.0000000000000000, -0.0000180300000000,  0.0001482100000000 ]  - [  -0.0001915100000000,  0.0004872200000000, -0.0004103400000000 ]  - [   0.0001915100000000,  0.0004872200000000, -0.0004103400000000 ]  - [   0.0000000000000000,  0.0017967800000000,  0.0014414400000000 ]  - [   0.0000000000000000,  0.0000480600000000, -0.0000138300000000 ]  - [  -0.0003184500000000, -0.0002538200000000,  0.0001061900000000 ]  - [  -0.0000908700000000, -0.0001269200000000, -0.0004136700000000 ]  - [   0.0000348100000000,  0.0000209000000000,  0.0002057100000000 ]  - [   0.0001310700000000,  0.0001390100000000,  0.0002319400000000 ]  - [  -0.0002588800000000,  0.0001725000000000,  0.0002504000000000 ]  - [  -0.0000963100000000,  0.0001162000000000,  0.0003467000000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000, -0.0067631500000000, -0.0126084900000000 ]  - [   0.0000000000000000, -0.0004390100000000, -0.0002047200000000 ]  - [   0.0005053500000000, -0.0000268700000000, -0.0003023200000000 ]  - [  -0.0005053500000000, -0.0000268700000000, -0.0003023200000000 ]  - [  -0.0001400900000000, -0.0004187600000000,  0.0002192300000000 ]  - [   0.0001400900000000, -0.0004187600000000,  0.0002192300000000 ]  - [   0.0000000000000000,  0.0005446800000000,  0.0003460600000000 ]  - [   0.0000000000000000,  0.0004225000000000,  0.0000753300000000 ]  - [  -0.0002697500000000, -0.0004260700000000, -0.0002415900000000 ]  - [   0.0002697500000000, -0.0004260700000000, -0.0002415900000000 ]  - [   0.0000000000000000,  0.0051717700000000,  0.0009572600000000 ]  - [   0.0000000000000000,  0.0004978900000000, -0.0000587700000000 ]  - [   0.0000000000000000, -0.0005550900000000,  0.0002949800000000 ]  - [   0.0000000000000000, -0.0004078000000000,  0.0001352500000000 ]  - [  -0.0000485600000000,  0.0003530800000000,  0.0001916400000000 ]  - [   0.0000485600000000,  0.0003530800000000,  0.0001916400000000 ]  - [   0.0002907800000000,  0.0001438500000000,  0.0000667400000000 ]  - [   0.0000109300000000, -0.0000362100000000,  0.0004515900000000 ]  - [  -0.0001295800000000,  0.0000966500000000,  0.0000066300000000 ]  - [   0.0004734300000000, -0.0003547200000000, -0.0000997300000000 ]  - [  -0.0002043100000000,  0.0002131800000000, -0.0000272000000000 ]  - [   0.0015852600000000,  0.0008518400000000,  0.0011573400000000 ]  - [   0.0001320600000000, -0.0000502100000000,  0.0001565700000000 ]  - [  -0.0001172300000000, -0.0002289200000000,  0.0009480500000000 ]  - [   0.0001172300000000, -0.0002289200000000,  0.0009480500000000 ]  - [  -0.0001320600000000, -0.0000502100000000,  0.0001565700000000 ]  - [  -0.0015852600000000,  0.0008518400000000,  0.0011573400000000 ]  - [   0.0002043100000000,  0.0002131800000000, -0.0000272000000000 ]  - [  -0.0004734300000000, -0.0003547200000000, -0.0000997300000000 ]  - [   0.0001295800000000,  0.0000966500000000,  0.0000066300000000 ]  - [  -0.0000109300000000, -0.0000362100000000,  0.0004515900000000 ]  - [  -0.0002907800000000,  0.0001438500000000,  0.0000667400000000 ]  - [   0.0000081900000000, -0.0006712500000000, -0.0001394200000000 ]  - [  -0.0000081900000000, -0.0006712500000000, -0.0001394200000000 ]  - [  -0.0008026600000000,  0.0007570600000000, -0.0006357300000000 ]  - [   0.0008026600000000,  0.0007570600000000, -0.0006357300000000 ]  - [   0.0000000000000000, -0.0011766300000000,  0.0025623300000000 ]  - [   0.0000000000000000,  0.0005532400000000,  0.0004570400000000 ]  - [   0.0000000000000000, -0.0047716800000000,  0.0045587700000000 ]  - [   0.0000000000000000, -0.0006706900000000,  0.0004420900000000 ]  - [   0.0000000000000000, -0.0007762300000000,  0.0000442000000000 ]  - [   0.0000000000000000, -0.0007017300000000, -0.0003177300000000 ]  - [   0.0000000000000000,  0.0017876200000000, -0.0005885000000000 ]  - [   0.0000000000000000,  0.0005525500000000, -0.0004313400000000 ]  - [  -0.0002353200000000,  0.0005320500000000,  0.0003955900000000 ]  - [   0.0002353200000000,  0.0005320500000000,  0.0003955900000000 ]  - [   0.0018407600000000,  0.0005045400000000,  0.0001569000000000 ]  - [  -0.0018407600000000,  0.0005045400000000,  0.0001569000000000 ]  - [   0.0002314100000000, -0.0000845100000000,  0.0003105700000000 ]  - [   0.0009850500000000, -0.0014560100000000,  0.0011114200000000 ]  - [  -0.0003380100000000,  0.0002881000000000, -0.0001788700000000 ]  - [   0.0003460700000000, -0.0006403700000000,  0.0011553700000000 ]  - [   0.0001994100000000, -0.0001165600000000, -0.0002997000000000 ]  - [  -0.0002485900000000, -0.0002651900000000, -0.0004502200000000 ]  - [  -0.0000378600000000, -0.0001166200000000,  0.0002892300000000 ]  - [   0.0022919000000000,  0.0023725200000000,  0.0016348800000000 ]  - [  -0.0001512700000000,  0.0002062200000000, -0.0002092000000000 ]  - [   0.0003270200000000,  0.0007511300000000, -0.0008628500000000 ]  - [   0.0000000000000000,  0.0000910800000000, -0.0009811300000000 ]  - [   0.0000000000000000,  0.0000584400000000, -0.0000642100000000 ]  - [  -0.0001164600000000,  0.0000370400000000, -0.0002930500000000 ]  - [   0.0001164600000000,  0.0000370400000000, -0.0002930500000000 ]  - [   0.0000000000000000,  0.0004317700000000, -0.0014342500000000 ]  - [   0.0000000000000000,  0.0000304700000000, -0.0001429400000000 ]  - [   0.0002957600000000,  0.0000440200000000,  0.0003229500000000 ]  - [  -0.0002957600000000,  0.0000440200000000,  0.0003229500000000 ]  - [  -0.0000387100000000, -0.0001212100000000, -0.0002710600000000 ]  - [  -0.0005443500000000,  0.0003622400000000, -0.0003368000000000 ]  - [   0.0000168100000000,  0.0001928100000000,  0.0000333600000000 ]  - [   0.0001355200000000,  0.0001400000000000, -0.0000234200000000 ]  - [  -0.0001130600000000,  0.0001545600000000,  0.0000981800000000 ]  - [  -0.0001732000000000,  0.0001554000000000, -0.0002903500000000 ]  - [  -0.0022919000000000,  0.0023725200000000,  0.0016348800000000 ]  - [   0.0000378600000000, -0.0001166200000000,  0.0002892300000000 ]  - [  -0.0003270200000000,  0.0007511300000000, -0.0008628500000000 ]  - [   0.0001512700000000,  0.0002062200000000, -0.0002092000000000 ]  - [   0.0005443500000000,  0.0003622400000000, -0.0003368000000000 ]  - [   0.0000387100000000, -0.0001212100000000, -0.0002710600000000 ]  - [  -0.0009850500000000, -0.0014560100000000,  0.0011114200000000 ]  - [  -0.0002314100000000, -0.0000845100000000,  0.0003105700000000 ]  - [  -0.0003460700000000, -0.0006403700000000,  0.0011553700000000 ]  - [   0.0003380100000000,  0.0002881000000000, -0.0001788700000000 ]  - [  -0.0004127600000000, -0.0002794900000000, -0.0003898000000000 ]  - [   0.0004127600000000, -0.0002794900000000, -0.0003898000000000 ]  - [   0.0000000000000000,  0.0001312300000000, -0.0004596000000000 ]  - [   0.0000000000000000,  0.0000180400000000, -0.0000848800000000 ]  - [   0.0001461200000000,  0.0001209900000000, -0.0000577700000000 ]  - [  -0.0001461200000000,  0.0001209900000000, -0.0000577700000000 ]  - [   0.0000000000000000, -0.0000998900000000,  0.0001232000000000 ]  - [   0.0000000000000000,  0.0001020200000000,  0.0001856800000000 ]  - [   0.0002485900000000, -0.0002651900000000, -0.0004502200000000 ]  - [  -0.0001994100000000, -0.0001165600000000, -0.0002997000000000 ]  - [   0.0001732000000000,  0.0001554000000000, -0.0002903500000000 ]  - [   0.0001130600000000,  0.0001545600000000,  0.0000981800000000 ]  - [  -0.0001355200000000,  0.0001400000000000, -0.0000234200000000 ]  - [  -0.0000168100000000,  0.0001928100000000,  0.0000333600000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0059909200000000,  0.0124193800000000 ]  - [   0.0000000000000000, -0.0003660800000000,  0.0001235400000000 ]  - [  -0.0005035100000000,  0.0008291300000000,  0.0003782100000000 ]  - [   0.0005035100000000,  0.0008291300000000,  0.0003782100000000 ]  - [   0.0001410900000000, -0.0003873900000000, -0.0001361500000000 ]  - [  -0.0001410900000000, -0.0003873900000000, -0.0001361500000000 ]  - [   0.0000000000000000,  0.0002622100000000, -0.0004269700000000 ]  - [   0.0000000000000000,  0.0003840900000000, -0.0001559000000000 ]  - [   0.0002598500000000, -0.0003798000000000,  0.0001567400000000 ]  - [  -0.0002598500000000, -0.0003798000000000,  0.0001567400000000 ]  - [   0.0000000000000000, -0.0043074700000000, -0.0008886800000000 ]  - [   0.0000000000000000,  0.0003089300000000,  0.0001379800000000 ]  - [   0.0000000000000000, -0.0002508900000000, -0.0002111400000000 ]  - [   0.0000000000000000, -0.0003988100000000, -0.0000519100000000 ]  - [   0.0000494500000000,  0.0004535500000000, -0.0002724200000000 ]  - [  -0.0000494500000000,  0.0004535500000000, -0.0002724200000000 ]  - [  -0.0002886300000000, -0.0002252700000000, -0.0000671700000000 ]  - [  -0.0000113900000000, -0.0000468300000000, -0.0004491300000000 ]  - [   0.0001289300000000, -0.0000137900000000, -0.0000040300000000 ]  - [  -0.0004745100000000,  0.0004423600000000,  0.0001103600000000 ]  - [   0.0002036700000000, -0.0001290200000000,  0.0000288700000000 ]  - [  -0.0016045700000000, -0.0007875900000000, -0.0011551900000000 ]  - [  -0.0001306300000000, -0.0000329400000000, -0.0001558200000000 ]  - [   0.0001158100000000,  0.0001431600000000, -0.0009407200000000 ]  - [  -0.0001158100000000,  0.0001431600000000, -0.0009407200000000 ]  - [   0.0001306300000000, -0.0000329400000000, -0.0001558200000000 ]  - [   0.0016045700000000, -0.0007875900000000, -0.0011551900000000 ]  - [  -0.0002036700000000, -0.0001290200000000,  0.0000288700000000 ]  - [   0.0004745100000000,  0.0004423600000000,  0.0001103600000000 ]  - [  -0.0001289300000000, -0.0000137900000000, -0.0000040300000000 ]  - [   0.0000113900000000, -0.0000468300000000, -0.0004491300000000 ]  - [   0.0002886300000000, -0.0002252700000000, -0.0000671700000000 ]  - [  -0.0000075400000000, -0.0005353000000000, -0.0006874400000000 ]  - [   0.0000075400000000, -0.0005353000000000, -0.0006874400000000 ]  - [   0.0007922200000000,  0.0004558300000000, -0.0001890500000000 ]  - [  -0.0007922200000000,  0.0004558300000000, -0.0001890500000000 ]  - [   0.0000000000000000,  0.0023980700000000, -0.0017819800000000 ]  - [   0.0000000000000000,  0.0006564200000000,  0.0003754800000000 ]  - [   0.0000000000000000,  0.0034854600000000, -0.0036643500000000 ]  - [   0.0000000000000000, -0.0005355000000000,  0.0003889000000000 ]  - [   0.0000000000000000, -0.0004284200000000, -0.0008687800000000 ]  - [   0.0000000000000000, -0.0005066600000000, -0.0005132800000000 ]  - [   0.0000000000000000, -0.0005611300000000, -0.0002295400000000 ]  - [   0.0000000000000000,  0.0006508700000000, -0.0003960300000000 ]  - [   0.0002376000000000,  0.0006730200000000,  0.0004370600000000 ]  - [  -0.0002376000000000,  0.0006730200000000,  0.0004370600000000 ]  - [  -0.0018202000000000, -0.0016963500000000,  0.0006718200000000 ]  - [   0.0018202000000000, -0.0016963500000000,  0.0006718200000000 ]  - [  -0.0000182400000000, -0.0001950900000000,  0.0001301700000000 ]  - [  -0.0008106400000000,  0.0011980300000000, -0.0006593100000000 ]  - [   0.0005388700000000, -0.0000067400000000, -0.0002617600000000 ]  - [  -0.0001652000000000,  0.0009193400000000, -0.0015625900000000 ]  - [   0.0000049800000000, -0.0001618300000000, -0.0001432000000000 ]  - [   0.0004562900000000, -0.0000103100000000,  0.0000079800000000 ]  - [  -0.0001664800000000, -0.0001619000000000,  0.0001524000000000 ]  - [  -0.0025220200000000, -0.0027081600000000, -0.0011795700000000 ]  - [  -0.0000535300000000,  0.0000724000000000, -0.0002311200000000 ]  - [  -0.0005323200000000, -0.0004700900000000,  0.0004169300000000 ]  - [   0.0000000000000000, -0.0001349100000000,  0.0008103700000000 ]  - [   0.0000000000000000, -0.0001029300000000, -0.0001083700000000 ]  - [   0.0001152100000000, -0.0000823800000000,  0.0004648000000000 ]  - [  -0.0001152100000000, -0.0000823800000000,  0.0004648000000000 ]  - [   0.0000000000000000, -0.0003687300000000,  0.0012178900000000 ]  - [   0.0000000000000000,  0.0000155600000000, -0.0000309300000000 ]  - [  -0.0002949000000000,  0.0000031900000000, -0.0001524300000000 ]  - [   0.0002949000000000,  0.0000031900000000, -0.0001524300000000 ]  - [  -0.0001666500000000, -0.0001566000000000, -0.0001716200000000 ]  - [   0.0003464300000000, -0.0006474800000000, -0.0001093100000000 ]  - [   0.0001867500000000,  0.0000857900000000,  0.0004081500000000 ]  - [   0.0000701900000000,  0.0001388400000000,  0.0004642700000000 ]  - [  -0.0000921100000000,  0.0001242800000000,  0.0003437800000000 ]  - [  -0.0000323200000000,  0.0001226100000000,  0.0007300200000000 ]  - [   0.0025220200000000, -0.0027081600000000, -0.0011795700000000 ]  - [   0.0001664800000000, -0.0001619000000000,  0.0001524000000000 ]  - [   0.0005323200000000, -0.0004700900000000,  0.0004169300000000 ]  - [   0.0000535300000000,  0.0000724000000000, -0.0002311200000000 ]  - [  -0.0003464300000000, -0.0006474800000000, -0.0001093100000000 ]  - [   0.0001666500000000, -0.0001566000000000, -0.0001716200000000 ]  - [   0.0008106400000000,  0.0011980300000000, -0.0006593100000000 ]  - [   0.0000182400000000, -0.0001950900000000,  0.0001301700000000 ]  - [   0.0001652000000000,  0.0009193400000000, -0.0015625900000000 ]  - [  -0.0005388700000000, -0.0000067400000000, -0.0002617600000000 ]  - [   0.0004104700000000,  0.0002327600000000,  0.0002152300000000 ]  - [  -0.0004104700000000,  0.0002327600000000,  0.0002152300000000 ]  - [   0.0000000000000000, -0.0001769800000000,  0.0006306300000000 ]  - [   0.0000000000000000, -0.0000637500000000,  0.0002583300000000 ]  - [  -0.0001474300000000, -0.0000763100000000, -0.0001211400000000 ]  - [   0.0001474300000000, -0.0000763100000000, -0.0001211400000000 ]  - [   0.0000000000000000,  0.0001393500000000,  0.0000423700000000 ]  - [   0.0000000000000000, -0.0000558500000000, -0.0000122300000000 ]  - [  -0.0004562900000000, -0.0000103100000000,  0.0000079800000000 ]  - [  -0.0000049800000000, -0.0001618300000000, -0.0001432000000000 ]  - [   0.0000323200000000,  0.0001226100000000,  0.0007300200000000 ]  - [   0.0000921100000000,  0.0001242800000000,  0.0003437800000000 ]  - [  -0.0000701900000000,  0.0001388400000000,  0.0004642700000000 ]  - [  -0.0001867500000000,  0.0000857900000000,  0.0004081500000000 ]- atom:   17  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0005042000000000, -0.0003325100000000,  0.0002493400000000 ]  - [  -0.0003729500000000, -0.0003602300000000, -0.0000285500000000 ]  - [  -0.0008558500000000,  0.0011492600000000,  0.0005135700000000 ]  - [   0.0005587200000000,  0.0003040100000000, -0.0000894400000000 ]  - [  -0.0003728900000000, -0.0004492800000000,  0.0000515500000000 ]  - [   0.0005015900000000, -0.0004742800000000,  0.0003305200000000 ]  - [   0.0005590500000000,  0.0005020700000000, -0.0001696600000000 ]  - [  -0.0008617800000000, -0.0003492000000000,  0.0004336600000000 ]  - [  -0.0005760100000000, -0.0008672200000000,  0.0000772800000000 ]  - [   0.0003309300000000, -0.0004343700000000, -0.0001717800000000 ]  - [   0.0006529200000000,  0.0003878500000000,  0.0002437300000000 ]  - [  -0.0001440100000000, -0.0001532500000000, -0.0015569000000000 ]  - [   0.0003307800000000, -0.0003720900000000, -0.0000904800000000 ]  - [  -0.0005823400000000,  0.0000630200000000,  0.0001563300000000 ]  - [  -0.0001359100000000,  0.0009646600000000, -0.0016337900000000 ]  - [   0.0006529300000000,  0.0004167800000000,  0.0001635400000000 ]  - [  -0.0300965200000000,  0.0003998000000000,  0.0099272200000000 ]  - [   0.0010780000000000, -0.0000418800000000, -0.0001622500000000 ]  - [  -0.0002576200000000,  0.0000416000000000,  0.0002146100000000 ]  - [   0.0002292400000000,  0.0000415700000000, -0.0000127500000000 ]  - [  -0.0003385900000000,  0.0000400300000000, -0.0003298700000000 ]  - [   0.0002625200000000,  0.0000416100000000,  0.0001390700000000 ]  - [  -0.0030140200000000, -0.0000417300000000, -0.0007528900000000 ]  - [   0.0009239300000000, -0.0000408900000000,  0.0001021200000000 ]  - [   0.0013578900000000,  0.0007818300000000, -0.0005304400000000 ]  - [   0.0013646800000000, -0.0008596100000000, -0.0005281200000000 ]  - [  -0.0000002100000000, -0.0001084400000000,  0.0000349200000000 ]  - [  -0.0000009900000000,  0.0001912100000000,  0.0000353000000000 ]  - [   0.0000242200000000, -0.0001657700000000,  0.0000899900000000 ]  - [   0.0000230200000000,  0.0002487000000000,  0.0000898200000000 ]  - [   0.0048291500000000, -0.0025414700000000, -0.0005338900000000 ]  - [   0.0048756000000000,  0.0024634500000000, -0.0005389600000000 ]  - [   0.0005030100000000, -0.0018171100000000, -0.0041223800000000 ]  - [   0.0008405300000000, -0.0009030300000000, -0.0007303900000000 ]  - [  -0.0002512100000000,  0.0006032500000000, -0.0000676300000000 ]  - [   0.0002554600000000,  0.0006887600000000, -0.0005140600000000 ]  - [   0.0002569300000000,  0.0005161300000000,  0.0003141100000000 ]  - [  -0.0002499500000000,  0.0006004200000000,  0.0007595400000000 ]  - [   0.0008393500000000, -0.0003001900000000,  0.0000980700000000 ]  - [   0.0004764500000000,  0.0006120100000000, -0.0033516900000000 ]  - [   0.0007870500000000, -0.0005245000000000, -0.0006334700000000 ]  - [  -0.0012155900000000, -0.0040537900000000,  0.0082293000000000 ]  - [   0.0001318000000000,  0.0005865800000000, -0.0002813000000000 ]  - [  -0.0000421500000000,  0.0006353300000000, -0.0006184800000000 ]  - [  -0.0000382000000000,  0.0005683900000000,  0.0002077200000000 ]  - [   0.0001323300000000,  0.0006175700000000,  0.0005468600000000 ]  - [  -0.0012229400000000,  0.0028392800000000,  0.0090280100000000 ]  - [   0.0007874000000000, -0.0006815100000000,  0.0001950900000000 ]  - [   0.0005394300000000, -0.0000150600000000, -0.0000449300000000 ]  - [  -0.0003236200000000, -0.0001119100000000,  0.0002594400000000 ]  - [   0.0021150200000000, -0.0010359300000000, -0.0002707300000000 ]  - [  -0.0006645000000000,  0.0003545300000000, -0.0001968400000000 ]  - [   0.0005971500000000, -0.0000064200000000,  0.0001390600000000 ]  - [  -0.0002783600000000, -0.0000053300000000, -0.0003368700000000 ]  - [   0.0003933300000000, -0.0002713000000000,  0.0005771800000000 ]  - [  -0.0004832100000000, -0.0002745200000000,  0.0001056600000000 ]  - [   0.0011078800000000,  0.0028284200000000, -0.0027086600000000 ]  - [  -0.0009005300000000, -0.0001397600000000, -0.0001600100000000 ]  - [  -0.0005575200000000, -0.0001368900000000, -0.0000442600000000 ]  - [   0.0004551700000000, -0.0006513200000000,  0.0006799900000000 ]  - [   0.0004584400000000,  0.0006089900000000,  0.0008306400000000 ]  - [  -0.0005583800000000,  0.0000898000000000,  0.0001290400000000 ]  - [  -0.0001893900000000,  0.0000174900000000, -0.0000437200000000 ]  - [   0.0002063100000000,  0.0000226400000000, -0.0001993300000000 ]  - [   0.0002060600000000,  0.0000248200000000, -0.0000253800000000 ]  - [  -0.0001885900000000,  0.0000298100000000,  0.0001300600000000 ]  - [   0.0003354900000000, -0.0002638300000000, -0.0004892000000000 ]  - [  -0.0005277700000000, -0.0001669500000000, -0.0001849100000000 ]  - [   0.0013509900000000, -0.0025184500000000, -0.0023962000000000 ]  - [  -0.0006971800000000,  0.0004202100000000,  0.0002837700000000 ]  - [   0.0019131000000000,  0.0013201000000000,  0.0001669100000000 ]  - [  -0.0008694600000000, -0.0000745900000000,  0.0002451500000000 ]  - [   0.0000795600000000, -0.0001069200000000,  0.0001230400000000 ]  - [   0.0001200900000000, -0.0002640000000000,  0.0003045300000000 ]  - [  -0.0010544000000000,  0.0007671500000000, -0.0005853900000000 ]  - [  -0.0002991000000000, -0.0002952200000000,  0.0008679500000000 ]  - [  -0.0000233800000000, -0.0001880700000000, -0.0001506600000000 ]  - [   0.0001809200000000, -0.0002827500000000, -0.0004400100000000 ]  - [  -0.0000244500000000,  0.0000024700000000,  0.0000025800000000 ]  - [  -0.0002266700000000, -0.0000913100000000,  0.0002918300000000 ]  - [  -0.0017874000000000, -0.0020876800000000, -0.0022657000000000 ]  - [  -0.0010217600000000,  0.0000775200000000,  0.0004481200000000 ]  - [   0.0115733700000000,  0.0101442900000000, -0.0050968700000000 ]  - [  -0.0010002900000000, -0.0001133100000000,  0.0001768600000000 ]  - [  -0.0010029200000000,  0.0000656800000000,  0.0003493500000000 ]  - [   0.0120147500000000, -0.0106508300000000, -0.0048878300000000 ]  - [   0.0001507900000000,  0.0000226600000000, -0.0000512800000000 ]  - [  -0.0001668500000000,  0.0000106000000000, -0.0001886800000000 ]  - [  -0.0001669200000000,  0.0000360200000000, -0.0000146500000000 ]  - [   0.0001514400000000,  0.0000242300000000,  0.0001202200000000 ]  - [  -0.0000857400000000, -0.0000144900000000, -0.0001386300000000 ]  - [  -0.0001237500000000, -0.0001724500000000, -0.0003213800000000 ]  - [  -0.0008159100000000,  0.0001994400000000,  0.0008910800000000 ]  - [  -0.0015785800000000,  0.0023608700000000, -0.0018164800000000 ]  - [  -0.0005094700000000,  0.0005705100000000,  0.0012997700000000 ]  - [  -0.0012631700000000, -0.0004917800000000, -0.0001457400000000 ]- atom:   17  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0001299700000000, -0.0003433200000000,  0.0001441200000000 ]  - [  -0.0000167900000000, -0.0001519000000000, -0.0000348700000000 ]  - [  -0.0010263100000000,  0.0017905900000000, -0.0003595200000000 ]  - [   0.0001635500000000,  0.0005212900000000,  0.0000953900000000 ]  - [   0.0000167900000000, -0.0001519000000000,  0.0000348700000000 ]  - [  -0.0001299700000000, -0.0003433200000000, -0.0001441200000000 ]  - [  -0.0001635500000000,  0.0005212900000000, -0.0000953900000000 ]  - [   0.0010263100000000,  0.0017905900000000,  0.0003595200000000 ]  - [  -0.0009697800000000, -0.0009734400000000, -0.0002276300000000 ]  - [   0.0001569800000000, -0.0004282900000000, -0.0000494800000000 ]  - [   0.0001513900000000,  0.0003366800000000,  0.0002114800000000 ]  - [   0.0007924900000000, -0.0013103100000000,  0.0008608300000000 ]  - [  -0.0001569800000000, -0.0004282900000000,  0.0000494800000000 ]  - [   0.0009697800000000, -0.0009734400000000,  0.0002276300000000 ]  - [  -0.0007924900000000, -0.0013103100000000, -0.0008608300000000 ]  - [  -0.0001513900000000,  0.0003366800000000, -0.0002114800000000 ]  - [   0.0000000000000000, -0.0250616500000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0003803200000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0001457500000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0000064000000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0006163300000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0000440400000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0035158600000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0000260800000000,  0.0000000000000000 ]  - [  -0.0008229300000000,  0.0019179700000000, -0.0006511900000000 ]  - [   0.0008229300000000,  0.0019179700000000,  0.0006511900000000 ]  - [  -0.0001496300000000,  0.0000377300000000,  0.0001229000000000 ]  - [   0.0001496300000000,  0.0000377300000000, -0.0001229000000000 ]  - [  -0.0002069700000000, -0.0000813000000000,  0.0000628800000000 ]  - [   0.0002069700000000, -0.0000813000000000, -0.0000628800000000 ]  - [   0.0025016000000000, -0.0033702400000000, -0.0007914400000000 ]  - [  -0.0025016000000000, -0.0033702400000000,  0.0007914400000000 ]  - [  -0.0058960100000000,  0.0032245600000000,  0.0007246600000000 ]  - [  -0.0002117100000000, -0.0002395100000000,  0.0000454700000000 ]  - [  -0.0000714100000000,  0.0006173200000000, -0.0000083000000000 ]  - [   0.0001226100000000,  0.0005939800000000, -0.0003647300000000 ]  - [  -0.0001226100000000,  0.0005939800000000,  0.0003647300000000 ]  - [   0.0000714100000000,  0.0006173200000000,  0.0000083000000000 ]  - [   0.0002117100000000, -0.0002395100000000, -0.0000454700000000 ]  - [   0.0058960100000000,  0.0032245600000000, -0.0007246600000000 ]  - [  -0.0001669800000000, -0.0004991900000000, -0.0009352700000000 ]  - [   0.0002292200000000,  0.0022947200000000, -0.0070750100000000 ]  - [  -0.0001212400000000,  0.0006003700000000, -0.0003287700000000 ]  - [   0.0004516700000000,  0.0009493600000000, -0.0009551200000000 ]  - [  -0.0004516700000000,  0.0009493600000000,  0.0009551200000000 ]  - [   0.0001212400000000,  0.0006003700000000,  0.0003287700000000 ]  - [  -0.0002292200000000,  0.0022947200000000,  0.0070750100000000 ]  - [   0.0001669800000000, -0.0004991900000000,  0.0009352700000000 ]  - [   0.0002493800000000, -0.0000989100000000,  0.0000521500000000 ]  - [  -0.0000421900000000, -0.0000818100000000,  0.0001861100000000 ]  - [   0.0005576300000000, -0.0011455400000000, -0.0005622000000000 ]  - [   0.0000197000000000,  0.0000726500000000, -0.0003721400000000 ]  - [  -0.0000185200000000, -0.0003936800000000, -0.0008787600000000 ]  - [   0.0001547800000000, -0.0002632700000000, -0.0001536500000000 ]  - [   0.0000185200000000, -0.0003936800000000,  0.0008787600000000 ]  - [  -0.0001547800000000, -0.0002632700000000,  0.0001536500000000 ]  - [  -0.0015450400000000,  0.0005599000000000, -0.0076820500000000 ]  - [  -0.0001545000000000,  0.0000577000000000, -0.0002463900000000 ]  - [   0.0001259000000000, -0.0001974000000000,  0.0001166700000000 ]  - [  -0.0005087300000000, -0.0010326600000000, -0.0014868100000000 ]  - [   0.0005087300000000, -0.0010326600000000,  0.0014868100000000 ]  - [  -0.0001259000000000, -0.0001974000000000, -0.0001166700000000 ]  - [   0.0001007000000000,  0.0000151800000000, -0.0000729000000000 ]  - [  -0.0001533800000000, -0.0001542300000000,  0.0001408600000000 ]  - [   0.0001533800000000, -0.0001542300000000, -0.0001408600000000 ]  - [  -0.0001007000000000,  0.0000151800000000,  0.0000729000000000 ]  - [  -0.0002493800000000, -0.0000989100000000, -0.0000521500000000 ]  - [   0.0000421900000000, -0.0000818100000000, -0.0001861100000000 ]  - [   0.0015450400000000,  0.0005599000000000,  0.0076820500000000 ]  - [   0.0001545000000000,  0.0000577000000000,  0.0002463900000000 ]  - [  -0.0005576300000000, -0.0011455400000000,  0.0005622000000000 ]  - [  -0.0000197000000000,  0.0000726500000000,  0.0003721400000000 ]  - [   0.0003481900000000, -0.0001788800000000,  0.0001628800000000 ]  - [  -0.0001463700000000, -0.0003457900000000,  0.0003149700000000 ]  - [  -0.0004031200000000,  0.0005826400000000, -0.0003652700000000 ]  - [  -0.0010731100000000,  0.0011897200000000, -0.0008096300000000 ]  - [   0.0003062400000000, -0.0001038100000000, -0.0001901500000000 ]  - [  -0.0001250900000000,  0.0000903700000000, -0.0000540900000000 ]  - [   0.0001250900000000,  0.0000903700000000,  0.0000540900000000 ]  - [  -0.0003062400000000, -0.0001038100000000,  0.0001901500000000 ]  - [  -0.0011599900000000, -0.0021913400000000, -0.0013939200000000 ]  - [  -0.0004380100000000, -0.0001556900000000, -0.0006216200000000 ]  - [   0.0090552900000000,  0.0087867500000000, -0.0038075100000000 ]  - [   0.0005226700000000,  0.0000800600000000, -0.0004538400000000 ]  - [  -0.0005226700000000,  0.0000800600000000,  0.0004538400000000 ]  - [  -0.0090552900000000,  0.0087867500000000,  0.0038075100000000 ]  - [   0.0001357600000000,  0.0001488100000000, -0.0005123000000000 ]  - [  -0.0000686200000000,  0.0000120900000000,  0.0000127200000000 ]  - [   0.0000686200000000,  0.0000120900000000, -0.0000127200000000 ]  - [  -0.0001357600000000,  0.0001488100000000,  0.0005123000000000 ]  - [   0.0001463700000000, -0.0003457900000000, -0.0003149700000000 ]  - [  -0.0003481900000000, -0.0001788800000000, -0.0001628800000000 ]  - [   0.0004380100000000, -0.0001556900000000,  0.0006216200000000 ]  - [   0.0011599900000000, -0.0021913400000000,  0.0013939200000000 ]  - [   0.0010731100000000,  0.0011897200000000,  0.0008096300000000 ]  - [   0.0004031200000000,  0.0005826400000000,  0.0003652700000000 ]- atom:   17  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0001270400000000, -0.0004631000000000, -0.0002250900000000 ]  - [   0.0000175600000000, -0.0006560100000000, -0.0000454500000000 ]  - [   0.0010240200000000, -0.0009835900000000,  0.0004380100000000 ]  - [  -0.0001636900000000,  0.0002852200000000, -0.0000147700000000 ]  - [  -0.0000175600000000, -0.0006560100000000,  0.0000454500000000 ]  - [   0.0001270400000000, -0.0004631000000000,  0.0002250900000000 ]  - [   0.0001636900000000,  0.0002852200000000,  0.0000147700000000 ]  - [  -0.0010240200000000, -0.0009835900000000, -0.0004380100000000 ]  - [   0.0009715400000000,  0.0001687100000000,  0.0001443600000000 ]  - [  -0.0001566300000000, -0.0003777800000000, -0.0000322200000000 ]  - [  -0.0001505900000000,  0.0004689100000000, -0.0001304900000000 ]  - [  -0.0007912500000000,  0.0021168400000000, -0.0007783300000000 ]  - [   0.0001566300000000, -0.0003777800000000,  0.0000322200000000 ]  - [  -0.0009715400000000,  0.0001687100000000, -0.0001443600000000 ]  - [   0.0007912500000000,  0.0021168400000000,  0.0007783300000000 ]  - [   0.0001505900000000,  0.0004689100000000,  0.0001304900000000 ]  - [   0.0000000000000000,  0.0254046100000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0002981700000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0002296100000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0000896100000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0005357900000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0001271400000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0035872000000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0001086800000000,  0.0000000000000000 ]  - [   0.0008186600000000, -0.0019929700000000,  0.0006485900000000 ]  - [  -0.0008186600000000, -0.0019929700000000, -0.0006485900000000 ]  - [   0.0001500100000000,  0.0000459000000000, -0.0001226700000000 ]  - [  -0.0001500100000000,  0.0000459000000000,  0.0001226700000000 ]  - [   0.0002075200000000,  0.0001645800000000, -0.0000626600000000 ]  - [  -0.0002075200000000,  0.0001645800000000,  0.0000626600000000 ]  - [  -0.0025033000000000,  0.0032854100000000,  0.0007894600000000 ]  - [   0.0025033000000000,  0.0032854100000000, -0.0007894600000000 ]  - [   0.0058785200000000, -0.0044220000000000, -0.0014842000000000 ]  - [   0.0002108100000000, -0.0009641700000000, -0.0008721900000000 ]  - [   0.0000695600000000,  0.0005876700000000, -0.0008194900000000 ]  - [  -0.0001235800000000,  0.0006119000000000, -0.0004636800000000 ]  - [   0.0001235800000000,  0.0006119000000000,  0.0004636800000000 ]  - [  -0.0000695600000000,  0.0005876700000000,  0.0008194900000000 ]  - [  -0.0002108100000000, -0.0009641700000000,  0.0008721900000000 ]  - [  -0.0058785200000000, -0.0044220000000000,  0.0014842000000000 ]  - [   0.0001663900000000, -0.0007064900000000,  0.0001062600000000 ]  - [  -0.0002126500000000, -0.0035070700000000,  0.0062432200000000 ]  - [   0.0001201900000000,  0.0006053100000000, -0.0005003100000000 ]  - [  -0.0004544900000000,  0.0002554400000000,  0.0001279100000000 ]  - [   0.0004544900000000,  0.0002554400000000, -0.0001279100000000 ]  - [  -0.0001201900000000,  0.0006053100000000,  0.0005003100000000 ]  - [   0.0002126500000000, -0.0035070700000000, -0.0062432200000000 ]  - [  -0.0001663900000000, -0.0007064900000000, -0.0001062600000000 ]  - [  -0.0000442400000000, -0.0001795200000000,  0.0003910700000000 ]  - [   0.0002465900000000, -0.0001961600000000,  0.0002569600000000 ]  - [  -0.0003467600000000,  0.0014219300000000,  0.0001239000000000 ]  - [   0.0001854100000000,  0.0002067100000000, -0.0000684300000000 ]  - [   0.0002242500000000,  0.0001157200000000,  0.0004373900000000 ]  - [   0.0000507100000000, -0.0000160100000000, -0.0002876800000000 ]  - [  -0.0002242500000000,  0.0001157200000000, -0.0004373900000000 ]  - [  -0.0000507100000000, -0.0000160100000000,  0.0002876800000000 ]  - [   0.0013564600000000, -0.0003338500000000,  0.0071641100000000 ]  - [  -0.0000502200000000,  0.0002211000000000, -0.0001963700000000 ]  - [  -0.0001250500000000,  0.0001509300000000, -0.0002892900000000 ]  - [   0.0005296900000000,  0.0010135300000000,  0.0013385500000000 ]  - [  -0.0005296900000000,  0.0010135300000000, -0.0013385500000000 ]  - [   0.0001250500000000,  0.0001509300000000,  0.0002892900000000 ]  - [  -0.0001004600000000,  0.0000312800000000, -0.0001003900000000 ]  - [   0.0001540600000000,  0.0002008200000000, -0.0003149400000000 ]  - [  -0.0001540600000000,  0.0002008200000000,  0.0003149400000000 ]  - [   0.0001004600000000,  0.0000312800000000,  0.0001003900000000 ]  - [   0.0000442400000000, -0.0001795200000000, -0.0003910700000000 ]  - [  -0.0002465900000000, -0.0001961600000000, -0.0002569600000000 ]  - [  -0.0013564600000000, -0.0003338500000000, -0.0071641100000000 ]  - [   0.0000502200000000,  0.0002211000000000,  0.0001963700000000 ]  - [   0.0003467600000000,  0.0014219300000000, -0.0001239000000000 ]  - [  -0.0001854100000000,  0.0002067100000000,  0.0000684300000000 ]  - [  -0.0001435400000000, -0.0000997900000000,  0.0002812600000000 ]  - [   0.0003522800000000,  0.0000681900000000,  0.0001291000000000 ]  - [   0.0006078300000000, -0.0003042100000000, -0.0000768400000000 ]  - [   0.0012777300000000, -0.0009140800000000,  0.0003664100000000 ]  - [  -0.0001012000000000, -0.0001744800000000, -0.0002509900000000 ]  - [   0.0003302400000000, -0.0003696200000000, -0.0003881500000000 ]  - [  -0.0003302400000000, -0.0003696200000000,  0.0003881500000000 ]  - [   0.0001012000000000, -0.0001744800000000,  0.0002509900000000 ]  - [   0.0009458800000000,  0.0024606800000000,  0.0009386500000000 ]  - [   0.0002321500000000,  0.0004341500000000,  0.0001758100000000 ]  - [  -0.0094527900000000, -0.0090237700000000,  0.0035940600000000 ]  - [  -0.0005259100000000, -0.0001255200000000,  0.0002812000000000 ]  - [   0.0005259100000000, -0.0001255200000000, -0.0002812000000000 ]  - [   0.0094527900000000, -0.0090237700000000, -0.0035940600000000 ]  - [  -0.0001364400000000, -0.0001033600000000,  0.0003420800000000 ]  - [   0.0000678200000000,  0.0000338900000000, -0.0001863200000000 ]  - [  -0.0000678200000000,  0.0000338900000000,  0.0001863200000000 ]  - [   0.0001364400000000, -0.0001033600000000, -0.0003420800000000 ]  - [  -0.0003522800000000,  0.0000681900000000, -0.0001291000000000 ]  - [   0.0001435400000000, -0.0000997900000000, -0.0002812600000000 ]  - [  -0.0002321500000000,  0.0004341500000000, -0.0001758100000000 ]  - [  -0.0009458800000000,  0.0024606800000000, -0.0009386500000000 ]  - [  -0.0012777300000000, -0.0009140800000000, -0.0003664100000000 ]  - [  -0.0006078300000000, -0.0003042100000000,  0.0000768400000000 ]- atom:   17  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000795400000000, -0.0003749600000000,  0.0000262400000000 ]  - [  -0.0000901000000000, -0.0005012200000000,  0.0004103500000000 ]  - [   0.0015074600000000, -0.0008901700000000, -0.0000645400000000 ]  - [  -0.0003722600000000,  0.0001803800000000,  0.0000454200000000 ]  - [  -0.0000900900000000, -0.0003080900000000,  0.0004908800000000 ]  - [   0.0000792900000000, -0.0004312600000000,  0.0001081100000000 ]  - [  -0.0003716900000000,  0.0006260300000000, -0.0000354500000000 ]  - [   0.0015054300000000,  0.0016938600000000, -0.0001464400000000 ]  - [   0.0011347600000000,  0.0000552000000000,  0.0009030000000000 ]  - [  -0.0002669200000000, -0.0003209300000000,  0.0001155000000000 ]  - [   0.0000732200000000,  0.0003514900000000,  0.0000121400000000 ]  - [  -0.0021860800000000,  0.0028400100000000,  0.0011869700000000 ]  - [  -0.0002665600000000, -0.0004849000000000,  0.0001972700000000 ]  - [   0.0011302000000000, -0.0008575300000000,  0.0009863500000000 ]  - [  -0.0022013800000000, -0.0020427700000000,  0.0011247600000000 ]  - [   0.0000734500000000,  0.0004550100000000, -0.0000691000000000 ]  - [   0.0099332900000000, -0.0010076300000000, -0.0828442500000000 ]  - [  -0.0001621900000000, -0.0000413300000000, -0.0002245100000000 ]  - [   0.0002146200000000,  0.0000424000000000,  0.0006524600000000 ]  - [  -0.0000127400000000,  0.0000418000000000,  0.0002584500000000 ]  - [   0.0003298500000000,  0.0000395600000000,  0.0014578100000000 ]  - [  -0.0001390600000000,  0.0000416500000000,  0.0002325100000000 ]  - [   0.0007529100000000, -0.0000443700000000, -0.0012696500000000 ]  - [  -0.0001020800000000, -0.0000415100000000, -0.0002570800000000 ]  - [  -0.0005281900000000,  0.0006067800000000, -0.0005621700000000 ]  - [  -0.0005304800000000, -0.0006929800000000, -0.0005621000000000 ]  - [   0.0000355100000000,  0.0001643500000000,  0.0004882200000000 ]  - [   0.0000346900000000, -0.0000811900000000,  0.0004889000000000 ]  - [  -0.0000890300000000, -0.0000205400000000,  0.0004776700000000 ]  - [  -0.0000907200000000,  0.0001049500000000,  0.0004774800000000 ]  - [   0.0005373400000000, -0.0008304100000000, -0.0012092700000000 ]  - [   0.0005355400000000,  0.0007505400000000, -0.0012095600000000 ]  - [  -0.0083936600000000,  0.0042348500000000, -0.0028497400000000 ]  - [   0.0001823800000000, -0.0004277900000000, -0.0006751000000000 ]  - [   0.0001914900000000,  0.0008693100000000, -0.0000294600000000 ]  - [  -0.0002427000000000,  0.0008146400000000, -0.0003267000000000 ]  - [  -0.0002421300000000,  0.0003894300000000,  0.0005007700000000 ]  - [   0.0001925800000000,  0.0003325000000000,  0.0007980300000000 ]  - [   0.0001824500000000, -0.0007766200000000,  0.0001518600000000 ]  - [  -0.0083654800000000, -0.0054115200000000, -0.0020610800000000 ]  - [  -0.0003427900000000, -0.0004783400000000, -0.0006011400000000 ]  - [   0.0020973400000000, -0.0024129500000000,  0.0002032200000000 ]  - [   0.0001011200000000,  0.0008198000000000, -0.0003202400000000 ]  - [  -0.0004494300000000,  0.0004870200000000,  0.0005872100000000 ]  - [  -0.0004451500000000,  0.0007154200000000,  0.0014123000000000 ]  - [   0.0001017200000000,  0.0003840100000000,  0.0005077100000000 ]  - [   0.0020794400000000,  0.0011867100000000,  0.0010207400000000 ]  - [  -0.0003426300000000, -0.0007261300000000,  0.0002259800000000 ]  - [  -0.0001004700000000, -0.0002667800000000, -0.0001277700000000 ]  - [   0.0002766400000000, -0.0001903000000000,  0.0000573800000000 ]  - [  -0.0002634800000000, -0.0001047000000000,  0.0002082900000000 ]  - [   0.0003108300000000,  0.0001947100000000, -0.0000326900000000 ]  - [  -0.0002030300000000, -0.0002841300000000, -0.0012608700000000 ]  - [   0.0001458800000000, -0.0000890200000000, -0.0003679200000000 ]  - [  -0.0004091100000000,  0.0000083500000000, -0.0008241200000000 ]  - [  -0.0000598700000000, -0.0001886700000000,  0.0000738600000000 ]  - [   0.0010383300000000, -0.0133058600000000,  0.0394952200000000 ]  - [  -0.0001029400000000,  0.0001540200000000, -0.0000751400000000 ]  - [   0.0001184600000000, -0.0000344600000000,  0.0002806700000000 ]  - [   0.0003417000000000,  0.0008910500000000,  0.0026868200000000 ]  - [   0.0003342900000000, -0.0009228200000000,  0.0028366000000000 ]  - [   0.0001183400000000, -0.0000109600000000,  0.0004519200000000 ]  - [   0.0001258600000000,  0.0001152700000000, -0.0003971500000000 ]  - [  -0.0001247500000000,  0.0002073600000000, -0.0008118800000000 ]  - [  -0.0001252200000000, -0.0001598700000000, -0.0006390100000000 ]  - [   0.0001257900000000, -0.0000682300000000, -0.0002245200000000 ]  - [  -0.0003049800000000, -0.0000115000000000, -0.0005707300000000 ]  - [   0.0000720300000000, -0.0000881400000000, -0.0003855400000000 ]  - [   0.0010228400000000,  0.0144405900000000,  0.0417852300000000 ]  - [   0.0001017300000000,  0.0001246700000000,  0.0003674500000000 ]  - [  -0.0004699800000000,  0.0003867500000000,  0.0006501300000000 ]  - [   0.0001053000000000,  0.0000835300000000,  0.0004080500000000 ]  - [  -0.0001766300000000, -0.0001674200000000, -0.0000204700000000 ]  - [   0.0004598700000000, -0.0000598300000000, -0.0002288100000000 ]  - [  -0.0001952800000000,  0.0003326700000000,  0.0000676100000000 ]  - [   0.0020781800000000, -0.0007359100000000,  0.0003651600000000 ]  - [   0.0005028000000000,  0.0000045000000000, -0.0004555700000000 ]  - [  -0.0001951400000000,  0.0001972800000000, -0.0006121300000000 ]  - [  -0.0003999000000000, -0.0004762100000000, -0.0001690400000000 ]  - [   0.0002970500000000, -0.0002822500000000, -0.0000137600000000 ]  - [  -0.0006810100000000,  0.0000244200000000,  0.0005065100000000 ]  - [   0.0003609700000000,  0.0002160700000000,  0.0001791800000000 ]  - [  -0.0011225700000000, -0.0002261700000000, -0.0017908100000000 ]  - [   0.0000169300000000, -0.0000378700000000,  0.0002832300000000 ]  - [   0.0000175600000000, -0.0000070500000000,  0.0004528200000000 ]  - [  -0.0012660100000000,  0.0002724700000000, -0.0016461400000000 ]  - [   0.0000257300000000,  0.0002158800000000, -0.0010186000000000 ]  - [  -0.0000099400000000,  0.0001251100000000, -0.0003957800000000 ]  - [  -0.0000097900000000, -0.0000791700000000, -0.0002244600000000 ]  - [   0.0000263800000000, -0.0001708700000000, -0.0008507700000000 ]  - [   0.0002530800000000, -0.0002158700000000, -0.0006708000000000 ]  - [  -0.0003817300000000, -0.0001096700000000, -0.0004639000000000 ]  - [   0.0005680500000000,  0.0000626000000000,  0.0006226400000000 ]  - [  -0.0004781000000000,  0.0002566700000000,  0.0009530000000000 ]  - [   0.0018743400000000,  0.0010117500000000,  0.0008056500000000 ]  - [  -0.0004010800000000, -0.0000545400000000,  0.0005102400000000 ]- atom:   33  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0000942500000000, -0.0005760800000000, -0.0000319600000000 ]  - [  -0.0000958600000000, -0.0002287100000000, -0.0000476500000000 ]  - [  -0.0000234700000000,  0.0004014100000000,  0.0000583200000000 ]  - [   0.0002890500000000,  0.0004036600000000,  0.0000407900000000 ]  - [  -0.0006167100000000, -0.0004098800000000,  0.0000374300000000 ]  - [   0.0005621100000000, -0.0004025600000000,  0.0000420500000000 ]  - [   0.0028155700000000, -0.0017986300000000, -0.0008362500000000 ]  - [   0.0028366900000000,  0.0026148200000000,  0.0007587900000000 ]  - [  -0.0003333300000000, -0.0004009900000000, -0.0000398500000000 ]  - [   0.0001724700000000, -0.0004026900000000, -0.0000402000000000 ]  - [   0.0000162800000000,  0.0007740300000000,  0.0002772000000000 ]  - [   0.0000138800000000,  0.0000324400000000, -0.0001955700000000 ]  - [   0.0019177500000000,  0.0002218000000000, -0.0017927600000000 ]  - [   0.0019147700000000, -0.0010270800000000,  0.0018679600000000 ]  - [  -0.0074762400000000,  0.0004088500000000, -0.0000524800000000 ]  - [   0.0007663000000000,  0.0004042600000000, -0.0000408100000000 ]  - [   0.0004895800000000, -0.0059433300000000, -0.0083983000000000 ]  - [   0.0008402800000000, -0.0002524600000000,  0.0001826900000000 ]  - [  -0.0002508200000000,  0.0001132900000000,  0.0001943500000000 ]  - [   0.0002569100000000, -0.0000807500000000, -0.0002419100000000 ]  - [  -0.0000397400000000,  0.0004943700000000,  0.0004485600000000 ]  - [   0.0001315900000000, -0.0000785500000000, -0.0001006100000000 ]  - [  -0.0012405200000000, -0.0002730300000000, -0.0020951700000000 ]  - [   0.0007861900000000,  0.0001260700000000,  0.0003423700000000 ]  - [  -0.0011974400000000,  0.0001688800000000,  0.0020816900000000 ]  - [   0.0007880400000000, -0.0002076800000000, -0.0003431900000000 ]  - [  -0.0000402700000000, -0.0004119900000000, -0.0004461000000000 ]  - [   0.0001324200000000,  0.0001622700000000,  0.0001023300000000 ]  - [  -0.0002508000000000, -0.0000278400000000, -0.0001898800000000 ]  - [   0.0002555200000000,  0.0001653600000000,  0.0002427600000000 ]  - [   0.0004903700000000,  0.0058317600000000,  0.0083613700000000 ]  - [   0.0008393800000000,  0.0001703200000000, -0.0001823400000000 ]  - [  -0.1012479300000000,  0.0009273400000000, -0.0004795400000000 ]  - [   0.0010179800000000, -0.0006019300000000, -0.0004175500000000 ]  - [   0.0000274000000000,  0.0006000400000000, -0.0004113900000000 ]  - [   0.0001397100000000,  0.0006032000000000, -0.0004140000000000 ]  - [  -0.0001498900000000,  0.0005776000000000,  0.0000246900000000 ]  - [  -0.0001439700000000,  0.0006255100000000,  0.0008039500000000 ]  - [   0.0002919400000000, -0.0003934800000000,  0.0007413200000000 ]  - [   0.0002876000000000, -0.0008123200000000,  0.0000829800000000 ]  - [   0.0006250700000000,  0.0008538600000000, -0.0000733300000000 ]  - [   0.0006243300000000, -0.0020356300000000, -0.0007456300000000 ]  - [   0.0000671900000000,  0.0004489200000000, -0.0003122600000000 ]  - [   0.0000649700000000,  0.0007555800000000, -0.0005180700000000 ]  - [  -0.0020645500000000,  0.0006012300000000,  0.0004141100000000 ]  - [   0.0006362700000000,  0.0006022800000000,  0.0004146700000000 ]  - [   0.0012126900000000, -0.0006043500000000,  0.0004043200000000 ]  - [   0.0003735600000000, -0.0006053000000000,  0.0004183700000000 ]  - [   0.0003158400000000, -0.0001782700000000,  0.0002114700000000 ]  - [  -0.0000811100000000, -0.0001664600000000,  0.0002401700000000 ]  - [   0.0008291500000000,  0.0007623100000000, -0.0014071500000000 ]  - [  -0.0003807800000000,  0.0002652200000000, -0.0003928200000000 ]  - [   0.0008489100000000, -0.0000553300000000, -0.0002712800000000 ]  - [  -0.0007220300000000,  0.0000551100000000, -0.0000974000000000 ]  - [   0.0000158200000000, -0.0003010000000000,  0.0003820800000000 ]  - [  -0.0001907800000000,  0.0000074900000000,  0.0001297100000000 ]  - [   0.0002393600000000,  0.0004901800000000,  0.0004531600000000 ]  - [  -0.0003517000000000,  0.0000073800000000, -0.0002773100000000 ]  - [  -0.0000229800000000,  0.0004778300000000, -0.0006148300000000 ]  - [  -0.0000234600000000, -0.0005252800000000,  0.0004491100000000 ]  - [   0.0103404100000000, -0.0000587700000000,  0.0001513300000000 ]  - [  -0.0006296400000000, -0.0000224500000000,  0.0000875900000000 ]  - [   0.0000577100000000,  0.0001482200000000,  0.0000318400000000 ]  - [   0.0000565300000000, -0.0001003700000000, -0.0002086700000000 ]  - [   0.0002618700000000,  0.0000217800000000,  0.0000841200000000 ]  - [  -0.0001896500000000,  0.0000229200000000,  0.0000870700000000 ]  - [   0.0005025600000000, -0.0003831700000000, -0.0003986500000000 ]  - [  -0.0006489500000000, -0.0006632500000000,  0.0001252500000000 ]  - [   0.0440184000000000, -0.0274406900000000, -0.0027803500000000 ]  - [  -0.0007843500000000,  0.0003160200000000,  0.0001743300000000 ]  - [   0.0006470700000000, -0.0006392400000000,  0.0001403500000000 ]  - [  -0.0008996300000000,  0.0002377000000000, -0.0003180400000000 ]  - [   0.0002164800000000,  0.0000217000000000,  0.0000594600000000 ]  - [   0.0000148100000000, -0.0002842700000000,  0.0003105500000000 ]  - [   0.0004358600000000, -0.0002050300000000, -0.0008989400000000 ]  - [  -0.0001461600000000,  0.0002732900000000, -0.0001621900000000 ]  - [   0.0007142400000000,  0.0001101000000000, -0.0000449100000000 ]  - [  -0.0004447000000000,  0.0003796700000000, -0.0005649400000000 ]  - [   0.0001090400000000, -0.0000977200000000,  0.0002268500000000 ]  - [  -0.0002850400000000, -0.0001107500000000,  0.0002002400000000 ]  - [   0.0006211500000000, -0.0004674200000000,  0.0009579800000000 ]  - [  -0.0005841700000000,  0.0000146900000000, -0.0000461000000000 ]  - [   0.0013299500000000, -0.0000144000000000, -0.0000706700000000 ]  - [  -0.0005411800000000, -0.0000221700000000, -0.0000873700000000 ]  - [  -0.0010801000000000, -0.0007103800000000, -0.0004491800000000 ]  - [  -0.0010708400000000,  0.0006586300000000,  0.0006242500000000 ]  - [   0.0004900100000000,  0.0000242200000000, -0.0000889600000000 ]  - [  -0.0003328200000000,  0.0000237300000000, -0.0000879400000000 ]  - [  -0.0000410000000000,  0.0000547900000000,  0.0002804700000000 ]  - [  -0.0000394800000000, -0.0000098400000000, -0.0001049700000000 ]  - [   0.0006436600000000, -0.0002198900000000, -0.0001629000000000 ]  - [  -0.0009270500000000, -0.0003293500000000, -0.0003437100000000 ]  - [   0.0008534400000000,  0.0009251600000000,  0.0003158900000000 ]  - [  -0.0006997700000000,  0.0000304200000000,  0.0007587200000000 ]  - [   0.0421268200000000,  0.0261983700000000,  0.0032328600000000 ]  - [  -0.0009897900000000, -0.0000354000000000,  0.0002681200000000 ]- atom:   33  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0000721500000000, -0.0004629400000000, -0.0001089900000000 ]  - [   0.0000721500000000, -0.0004629400000000, -0.0001089900000000 ]  - [   0.0000000000000000,  0.0007328900000000, -0.0017370900000000 ]  - [   0.0000000000000000,  0.0004442100000000, -0.0000118900000000 ]  - [   0.0000000000000000,  0.0046241600000000,  0.0042085400000000 ]  - [   0.0000000000000000, -0.0004785500000000,  0.0001088100000000 ]  - [   0.0005910400000000, -0.0018303000000000, -0.0001929600000000 ]  - [  -0.0005910400000000, -0.0018303000000000, -0.0001929600000000 ]  - [   0.0000000000000000, -0.0005262900000000, -0.0002149000000000 ]  - [   0.0000000000000000, -0.0004471700000000, -0.0001359300000000 ]  - [  -0.0000768600000000,  0.0003995400000000, -0.0000307100000000 ]  - [   0.0000768600000000,  0.0003995400000000, -0.0000307100000000 ]  - [   0.0011513100000000,  0.0003744200000000, -0.0010618100000000 ]  - [  -0.0011513100000000,  0.0003744200000000, -0.0010618100000000 ]  - [   0.0000000000000000,  0.0070260300000000, -0.0012019300000000 ]  - [   0.0000000000000000,  0.0004293600000000,  0.0000062500000000 ]  - [  -0.0011991700000000,  0.0037814500000000,  0.0048262100000000 ]  - [  -0.0003011800000000,  0.0003215700000000,  0.0001733900000000 ]  - [  -0.0000028700000000,  0.0000578700000000, -0.0002669000000000 ]  - [  -0.0000856200000000,  0.0000333000000000, -0.0002121000000000 ]  - [   0.0000338300000000,  0.0003862000000000,  0.0001122500000000 ]  - [  -0.0000144200000000,  0.0000401600000000, -0.0002166500000000 ]  - [   0.0034434000000000,  0.0028526800000000, -0.0018142800000000 ]  - [  -0.0000783700000000,  0.0000619900000000,  0.0001210100000000 ]  - [  -0.0034434000000000,  0.0028526800000000, -0.0018142800000000 ]  - [   0.0000783700000000,  0.0000619900000000,  0.0001210100000000 ]  - [  -0.0000338300000000,  0.0003862000000000,  0.0001122500000000 ]  - [   0.0000144200000000,  0.0000401600000000, -0.0002166500000000 ]  - [   0.0000028700000000,  0.0000578700000000, -0.0002669000000000 ]  - [   0.0000856200000000,  0.0000333000000000, -0.0002121000000000 ]  - [   0.0011991700000000,  0.0037814500000000,  0.0048262100000000 ]  - [   0.0003011800000000,  0.0003215700000000,  0.0001733900000000 ]  - [   0.0000000000000000, -0.1026413000000000, -0.0067637400000000 ]  - [   0.0000000000000000, -0.0009123100000000, -0.0002293400000000 ]  - [   0.0000000000000000,  0.0006398900000000, -0.0005770300000000 ]  - [   0.0000000000000000,  0.0005588600000000, -0.0005503300000000 ]  - [  -0.0000246200000000,  0.0008511400000000,  0.0003706500000000 ]  - [   0.0000246200000000,  0.0008511400000000,  0.0003706500000000 ]  - [  -0.0002085000000000, -0.0002313500000000,  0.0002739100000000 ]  - [   0.0002085000000000, -0.0002313500000000,  0.0002739100000000 ]  - [  -0.0014515200000000, -0.0005244000000000, -0.0003017500000000 ]  - [   0.0014515200000000, -0.0005244000000000, -0.0003017500000000 ]  - [  -0.0001525200000000,  0.0004206700000000, -0.0004575500000000 ]  - [   0.0001525200000000,  0.0004206700000000, -0.0004575500000000 ]  - [   0.0000000000000000, -0.0017729000000000,  0.0002000500000000 ]  - [   0.0000000000000000,  0.0008785300000000,  0.0004764500000000 ]  - [   0.0000000000000000, -0.0000052200000000,  0.0016916700000000 ]  - [   0.0000000000000000, -0.0005414300000000,  0.0004076600000000 ]  - [  -0.0000430100000000, -0.0002421600000000,  0.0004258400000000 ]  - [   0.0001320400000000, -0.0001038000000000,  0.0003150100000000 ]  - [   0.0004480300000000, -0.0004467500000000, -0.0003594100000000 ]  - [   0.0001706000000000,  0.0001672700000000, -0.0002198800000000 ]  - [   0.0001509000000000, -0.0000269600000000, -0.0011849700000000 ]  - [  -0.0001389000000000, -0.0001402900000000, -0.0000991600000000 ]  - [  -0.0002314100000000,  0.0001066200000000,  0.0001628700000000 ]  - [  -0.0000229100000000, -0.0001575500000000,  0.0003223000000000 ]  - [  -0.0009111400000000,  0.0000440700000000, -0.0001476200000000 ]  - [   0.0000913800000000,  0.0001137400000000, -0.0000600700000000 ]  - [   0.0004140800000000,  0.0002021600000000, -0.0002150100000000 ]  - [  -0.0004140800000000,  0.0002021600000000, -0.0002150100000000 ]  - [   0.0000000000000000,  0.0072148200000000, -0.0093771300000000 ]  - [   0.0000000000000000,  0.0000263800000000, -0.0001174600000000 ]  - [   0.0000169100000000, -0.0001709700000000,  0.0001487700000000 ]  - [  -0.0000169100000000, -0.0001709700000000,  0.0001487700000000 ]  - [   0.0000000000000000,  0.0000937100000000,  0.0004235800000000 ]  - [   0.0000000000000000,  0.0000428300000000,  0.0003106100000000 ]  - [  -0.0001855100000000, -0.0005683300000000, -0.0000737400000000 ]  - [  -0.0002996800000000, -0.0004809600000000, -0.0000753100000000 ]  - [  -0.0307238800000000,  0.0369886700000000,  0.0067479000000000 ]  - [   0.0001539700000000,  0.0002106400000000,  0.0001045300000000 ]  - [  -0.0018217000000000, -0.0010640300000000, -0.0001917900000000 ]  - [  -0.0000560600000000,  0.0009737100000000, -0.0001818000000000 ]  - [   0.0002314100000000,  0.0001066200000000,  0.0001628700000000 ]  - [   0.0000229100000000, -0.0001575500000000,  0.0003223000000000 ]  - [   0.0009111400000000,  0.0000440700000000, -0.0001476200000000 ]  - [  -0.0000913800000000,  0.0001137400000000, -0.0000600700000000 ]  - [   0.0001855100000000, -0.0005683300000000, -0.0000737400000000 ]  - [   0.0002996800000000, -0.0004809600000000, -0.0000753100000000 ]  - [   0.0000430100000000, -0.0002421600000000,  0.0004258400000000 ]  - [  -0.0001320400000000, -0.0001038000000000,  0.0003150100000000 ]  - [  -0.0004480300000000, -0.0004467500000000, -0.0003594100000000 ]  - [  -0.0001706000000000,  0.0001672700000000, -0.0002198800000000 ]  - [   0.0000000000000000, -0.0008541500000000, -0.0018259700000000 ]  - [   0.0000000000000000, -0.0000814000000000, -0.0002122400000000 ]  - [   0.0012979300000000,  0.0005039400000000,  0.0001833600000000 ]  - [  -0.0012979300000000,  0.0005039400000000,  0.0001833600000000 ]  - [   0.0000000000000000,  0.0002828800000000,  0.0005752700000000 ]  - [   0.0000000000000000, -0.0000982200000000,  0.0001023400000000 ]  - [   0.0001542400000000,  0.0002411800000000,  0.0004063000000000 ]  - [  -0.0001542400000000,  0.0002411800000000,  0.0004063000000000 ]  - [  -0.0001509000000000, -0.0000269600000000, -0.0011849700000000 ]  - [   0.0001389000000000, -0.0001402900000000, -0.0000991600000000 ]  - [   0.0018217000000000, -0.0010640300000000, -0.0001917900000000 ]  - [   0.0000560600000000,  0.0009737100000000, -0.0001818000000000 ]  - [   0.0307238800000000,  0.0369886700000000,  0.0067479000000000 ]  - [  -0.0001539700000000,  0.0002106400000000,  0.0001045300000000 ]- atom:   33  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000740600000000, -0.0003389700000000,  0.0000306000000000 ]  - [  -0.0000740600000000, -0.0003389700000000,  0.0000306000000000 ]  - [   0.0000000000000000,  0.0000735000000000,  0.0018359300000000 ]  - [   0.0000000000000000,  0.0003610900000000,  0.0000908700000000 ]  - [   0.0000000000000000, -0.0053862700000000, -0.0040487600000000 ]  - [   0.0000000000000000, -0.0003239300000000, -0.0000265600000000 ]  - [  -0.0005921100000000,  0.0026366200000000,  0.0001110900000000 ]  - [   0.0005921100000000,  0.0026366200000000,  0.0001110900000000 ]  - [   0.0000000000000000, -0.0002734500000000,  0.0001351600000000 ]  - [   0.0000000000000000, -0.0003550200000000,  0.0000570400000000 ]  - [   0.0000787100000000,  0.0004033500000000,  0.0001104100000000 ]  - [  -0.0000787100000000,  0.0004033500000000,  0.0001104100000000 ]  - [  -0.0011459700000000, -0.0011765700000000,  0.0011378200000000 ]  - [   0.0011459700000000, -0.0011765700000000,  0.0011378200000000 ]  - [   0.0000000000000000, -0.0063027500000000,  0.0011487000000000 ]  - [   0.0000000000000000,  0.0003765300000000, -0.0000870000000000 ]  - [   0.0012292600000000, -0.0038663200000000, -0.0048198000000000 ]  - [   0.0003009700000000, -0.0004041900000000, -0.0001736600000000 ]  - [   0.0000003200000000,  0.0000292000000000,  0.0002704900000000 ]  - [   0.0000878800000000,  0.0000524200000000,  0.0002144400000000 ]  - [  -0.0000345400000000, -0.0003072000000000, -0.0001138900000000 ]  - [   0.0000157300000000,  0.0000447700000000,  0.0002193600000000 ]  - [  -0.0034488600000000, -0.0029493500000000,  0.0017857000000000 ]  - [   0.0000807100000000, -0.0001437900000000, -0.0001240000000000 ]  - [   0.0034488600000000, -0.0029493500000000,  0.0017857000000000 ]  - [  -0.0000807100000000, -0.0001437900000000, -0.0001240000000000 ]  - [   0.0000345400000000, -0.0003072000000000, -0.0001138900000000 ]  - [  -0.0000157300000000,  0.0000447700000000,  0.0002193600000000 ]  - [  -0.0000003200000000,  0.0000292000000000,  0.0002704900000000 ]  - [  -0.0000878800000000,  0.0000524200000000,  0.0002144400000000 ]  - [  -0.0012292600000000, -0.0038663200000000, -0.0048198000000000 ]  - [  -0.0003009700000000, -0.0004041900000000, -0.0001736600000000 ]  - [   0.0000000000000000,  0.1029042700000000,  0.0059114800000000 ]  - [   0.0000000000000000, -0.0002886200000000, -0.0005962200000000 ]  - [   0.0000000000000000,  0.0005599500000000, -0.0002512600000000 ]  - [   0.0000000000000000,  0.0006580200000000, -0.0002911400000000 ]  - [   0.0000237700000000,  0.0003495600000000,  0.0004573200000000 ]  - [  -0.0000237700000000,  0.0003495600000000,  0.0004573200000000 ]  - [   0.0002095500000000, -0.0009734800000000,  0.0005626200000000 ]  - [  -0.0002095500000000, -0.0009734800000000,  0.0005626200000000 ]  - [   0.0014382600000000, -0.0006589100000000, -0.0005294600000000 ]  - [  -0.0014382600000000, -0.0006589100000000, -0.0005294600000000 ]  - [   0.0001542900000000,  0.0007806900000000, -0.0003653000000000 ]  - [  -0.0001542900000000,  0.0007806900000000, -0.0003653000000000 ]  - [   0.0000000000000000,  0.0029871200000000,  0.0005816400000000 ]  - [   0.0000000000000000,  0.0003241200000000,  0.0003522900000000 ]  - [   0.0000000000000000, -0.0012018400000000, -0.0008684300000000 ]  - [   0.0000000000000000, -0.0006577100000000,  0.0004150900000000 ]  - [   0.0002501000000000, -0.0000367100000000,  0.0000179500000000 ]  - [   0.0000720600000000, -0.0001759600000000,  0.0001311900000000 ]  - [  -0.0002365900000000,  0.0007361800000000, -0.0000931000000000 ]  - [   0.0000370200000000,  0.0001115300000000, -0.0002253300000000 ]  - [   0.0000573000000000, -0.0002372100000000,  0.0007420400000000 ]  - [   0.0003470900000000, -0.0001376100000000, -0.0003473200000000 ]  - [   0.0000232600000000, -0.0003847100000000,  0.0002834700000000 ]  - [  -0.0001878900000000, -0.0001185100000000,  0.0001221700000000 ]  - [   0.0007059000000000,  0.0002387100000000, -0.0003015500000000 ]  - [  -0.0002955300000000,  0.0001687300000000, -0.0003822600000000 ]  - [  -0.0004154000000000, -0.0002511600000000,  0.0000586900000000 ]  - [   0.0004154000000000, -0.0002511600000000,  0.0000586900000000 ]  - [   0.0000000000000000, -0.0072923200000000,  0.0096285800000000 ]  - [   0.0000000000000000, -0.0000766800000000,  0.0002773800000000 ]  - [  -0.0000174200000000,  0.0002239400000000, -0.0003090400000000 ]  - [   0.0000174200000000,  0.0002239400000000, -0.0003090400000000 ]  - [   0.0000000000000000, -0.0000421700000000, -0.0002605900000000 ]  - [   0.0000000000000000,  0.0000082000000000, -0.0001500300000000 ]  - [  -0.0000253700000000,  0.0002859400000000, -0.0003755600000000 ]  - [   0.0000950200000000,  0.0002037100000000, -0.0003716800000000 ]  - [   0.0321113100000000, -0.0374326200000000, -0.0063703400000000 ]  - [   0.0000555700000000,  0.0000688300000000,  0.0003407700000000 ]  - [   0.0015954800000000,  0.0013289900000000,  0.0006457800000000 ]  - [  -0.0001455900000000, -0.0006981900000000,  0.0006316500000000 ]  - [  -0.0000232600000000, -0.0003847100000000,  0.0002834700000000 ]  - [   0.0001878900000000, -0.0001185100000000,  0.0001221700000000 ]  - [  -0.0007059000000000,  0.0002387100000000, -0.0003015500000000 ]  - [   0.0002955300000000,  0.0001687300000000, -0.0003822600000000 ]  - [   0.0000253700000000,  0.0002859400000000, -0.0003755600000000 ]  - [  -0.0000950200000000,  0.0002037100000000, -0.0003716800000000 ]  - [  -0.0002501000000000, -0.0000367100000000,  0.0000179500000000 ]  - [  -0.0000720600000000, -0.0001759600000000,  0.0001311900000000 ]  - [   0.0002365900000000,  0.0007361800000000, -0.0000931000000000 ]  - [  -0.0000370200000000,  0.0001115300000000, -0.0002253300000000 ]  - [   0.0000000000000000,  0.0008038400000000,  0.0016740500000000 ]  - [   0.0000000000000000,  0.0000326000000000,  0.0000589700000000 ]  - [  -0.0013186600000000, -0.0005812000000000, -0.0000211600000000 ]  - [   0.0013186600000000, -0.0005812000000000, -0.0000211600000000 ]  - [   0.0000000000000000, -0.0002341300000000, -0.0007236400000000 ]  - [   0.0000000000000000,  0.0001505900000000, -0.0002647000000000 ]  - [  -0.0001571000000000, -0.0001929800000000, -0.0002495300000000 ]  - [   0.0001571000000000, -0.0001929800000000, -0.0002495300000000 ]  - [  -0.0000573000000000, -0.0002372100000000,  0.0007420400000000 ]  - [  -0.0003470900000000, -0.0001376100000000, -0.0003473200000000 ]  - [  -0.0015954800000000,  0.0013289900000000,  0.0006457800000000 ]  - [   0.0001455900000000, -0.0006981900000000,  0.0006316500000000 ]  - [  -0.0321113100000000, -0.0374326200000000, -0.0063703400000000 ]  - [  -0.0000555700000000,  0.0000688300000000,  0.0003407700000000 ]- atom:   33  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0002016100000000, -0.0002358300000000,  0.0002364600000000 ]  - [  -0.0002016100000000, -0.0002358300000000,  0.0002364600000000 ]  - [   0.0000000000000000,  0.0013535700000000,  0.0022224000000000 ]  - [   0.0000000000000000,  0.0003165100000000,  0.0000799400000000 ]  - [   0.0000000000000000,  0.0037151500000000,  0.0041684000000000 ]  - [   0.0000000000000000, -0.0004537100000000,  0.0000645400000000 ]  - [  -0.0007251300000000,  0.0007750700000000, -0.0002660400000000 ]  - [   0.0007251300000000,  0.0007750700000000, -0.0002660400000000 ]  - [   0.0000000000000000, -0.0004933300000000,  0.0004195200000000 ]  - [   0.0000000000000000, -0.0003795400000000,  0.0000599900000000 ]  - [   0.0004858500000000,  0.0001743700000000,  0.0000192300000000 ]  - [  -0.0004858500000000,  0.0001743700000000,  0.0000192300000000 ]  - [  -0.0000497000000000, -0.0004089400000000, -0.0002278700000000 ]  - [   0.0000497000000000, -0.0004089400000000, -0.0002278700000000 ]  - [   0.0000000000000000, -0.0010149500000000, -0.0002306200000000 ]  - [   0.0000000000000000,  0.0004229400000000, -0.0000594200000000 ]  - [  -0.0037211000000000,  0.0010535100000000, -0.0024416600000000 ]  - [  -0.0003149400000000,  0.0004145200000000, -0.0002593000000000 ]  - [   0.0003490100000000, -0.0003660600000000,  0.0003844300000000 ]  - [  -0.0001007400000000, -0.0000084600000000,  0.0000863800000000 ]  - [   0.0002070600000000,  0.0005865400000000,  0.0010057500000000 ]  - [  -0.0001335700000000, -0.0000444300000000,  0.0000942500000000 ]  - [  -0.0085833300000000, -0.0066600200000000,  0.0006034700000000 ]  - [   0.0002180700000000, -0.0005602900000000, -0.0001858500000000 ]  - [   0.0085833300000000, -0.0066600200000000,  0.0006034700000000 ]  - [  -0.0002180700000000, -0.0005602900000000, -0.0001858500000000 ]  - [  -0.0002070600000000,  0.0005865400000000,  0.0010057500000000 ]  - [   0.0001335700000000, -0.0000444300000000,  0.0000942500000000 ]  - [  -0.0003490100000000, -0.0003660600000000,  0.0003844300000000 ]  - [   0.0001007400000000, -0.0000084600000000,  0.0000863800000000 ]  - [   0.0037211000000000,  0.0010535100000000, -0.0024416600000000 ]  - [   0.0003149400000000,  0.0004145200000000, -0.0002593000000000 ]  - [   0.0000000000000000, -0.0075985000000000, -0.1234869100000000 ]  - [   0.0000000000000000, -0.0004230300000000, -0.0005779800000000 ]  - [   0.0000000000000000,  0.0007595200000000,  0.0002491000000000 ]  - [   0.0000000000000000,  0.0007372900000000, -0.0004683000000000 ]  - [  -0.0003913300000000,  0.0005555700000000,  0.0004494600000000 ]  - [   0.0003913300000000,  0.0005555700000000,  0.0004494600000000 ]  - [   0.0003279600000000, -0.0004568500000000,  0.0010508400000000 ]  - [  -0.0003279600000000, -0.0004568500000000,  0.0010508400000000 ]  - [  -0.0003326800000000, -0.0004804700000000,  0.0016264900000000 ]  - [   0.0003326800000000, -0.0004804700000000,  0.0016264900000000 ]  - [  -0.0001027400000000,  0.0006410600000000, -0.0003287800000000 ]  - [   0.0001027400000000,  0.0006410600000000, -0.0003287800000000 ]  - [   0.0000000000000000,  0.0004069200000000,  0.0021889500000000 ]  - [   0.0000000000000000,  0.0006675300000000,  0.0004245000000000 ]  - [   0.0000000000000000, -0.0018726600000000, -0.0008263100000000 ]  - [   0.0000000000000000, -0.0006075300000000,  0.0002898400000000 ]  - [   0.0001328300000000, -0.0001150200000000, -0.0002470800000000 ]  - [   0.0000931900000000, -0.0001638400000000,  0.0001199600000000 ]  - [   0.0008122500000000,  0.0024213300000000, -0.0027218800000000 ]  - [   0.0000661300000000,  0.0001873800000000, -0.0000830100000000 ]  - [  -0.0001480200000000, -0.0002569300000000, -0.0008011200000000 ]  - [   0.0000660700000000, -0.0000416400000000, -0.0002090700000000 ]  - [  -0.0001850600000000, -0.0002860700000000, -0.0000199700000000 ]  - [  -0.0001437500000000, -0.0002199900000000,  0.0000588600000000 ]  - [   0.0006568700000000,  0.0003552200000000, -0.0009055600000000 ]  - [  -0.0004201600000000, -0.0000753200000000, -0.0002440700000000 ]  - [  -0.0012281900000000, -0.0003216700000000, -0.0003342800000000 ]  - [   0.0012281900000000, -0.0003216700000000, -0.0003342800000000 ]  - [   0.0000000000000000, -0.0052483500000000,  0.0923785200000000 ]  - [   0.0000000000000000, -0.0000085600000000,  0.0002829100000000 ]  - [   0.0002083000000000, -0.0000743900000000, -0.0001848300000000 ]  - [  -0.0002083000000000, -0.0000743900000000, -0.0001848300000000 ]  - [   0.0000000000000000, -0.0002809700000000, -0.0008361200000000 ]  - [   0.0000000000000000, -0.0000236900000000,  0.0000072900000000 ]  - [  -0.0006892200000000, -0.0001905600000000, -0.0003709400000000 ]  - [   0.0000430000000000, -0.0003910800000000, -0.0002019100000000 ]  - [  -0.0023062000000000,  0.0056376100000000,  0.0146162600000000 ]  - [   0.0001429000000000,  0.0000485300000000,  0.0003270600000000 ]  - [   0.0008114600000000,  0.0011365700000000,  0.0003374300000000 ]  - [   0.0000346600000000,  0.0001070100000000,  0.0001481300000000 ]  - [   0.0001850600000000, -0.0002860700000000, -0.0000199700000000 ]  - [   0.0001437500000000, -0.0002199900000000,  0.0000588600000000 ]  - [  -0.0006568700000000,  0.0003552200000000, -0.0009055600000000 ]  - [   0.0004201600000000, -0.0000753200000000, -0.0002440700000000 ]  - [   0.0006892200000000, -0.0001905600000000, -0.0003709400000000 ]  - [  -0.0000430000000000, -0.0003910800000000, -0.0002019100000000 ]  - [  -0.0001328300000000, -0.0001150200000000, -0.0002470800000000 ]  - [  -0.0000931900000000, -0.0001638400000000,  0.0001199600000000 ]  - [  -0.0008122500000000,  0.0024213300000000, -0.0027218800000000 ]  - [  -0.0000661300000000,  0.0001873800000000, -0.0000830100000000 ]  - [   0.0000000000000000,  0.0011009300000000,  0.0020820100000000 ]  - [   0.0000000000000000, -0.0000714200000000,  0.0000313700000000 ]  - [   0.0017643200000000,  0.0014055700000000,  0.0004417000000000 ]  - [  -0.0017643200000000,  0.0014055700000000,  0.0004417000000000 ]  - [   0.0000000000000000,  0.0004390600000000, -0.0013012900000000 ]  - [   0.0000000000000000,  0.0000152300000000, -0.0001244700000000 ]  - [   0.0001552700000000,  0.0001288000000000, -0.0000918800000000 ]  - [  -0.0001552700000000,  0.0001288000000000, -0.0000918800000000 ]  - [   0.0001480200000000, -0.0002569300000000, -0.0008011200000000 ]  - [  -0.0000660700000000, -0.0000416400000000, -0.0002090700000000 ]  - [  -0.0008114600000000,  0.0011365700000000,  0.0003374300000000 ]  - [  -0.0000346600000000,  0.0001070100000000,  0.0001481300000000 ]  - [   0.0023062000000000,  0.0056376100000000,  0.0146162600000000 ]  - [  -0.0001429000000000,  0.0000485300000000,  0.0003270600000000 ]- atom:   33  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0002025100000000, -0.0005686700000000, -0.0003105400000000 ]  - [   0.0002025100000000, -0.0005686700000000, -0.0003105400000000 ]  - [   0.0000000000000000, -0.0005552500000000, -0.0021171500000000 ]  - [   0.0000000000000000,  0.0004864500000000,  0.0000030100000000 ]  - [   0.0000000000000000, -0.0044410700000000, -0.0040487600000000 ]  - [   0.0000000000000000, -0.0003508600000000,  0.0000176100000000 ]  - [   0.0007381900000000,  0.0000087100000000,  0.0001828600000000 ]  - [  -0.0007381900000000,  0.0000087100000000,  0.0001828600000000 ]  - [   0.0000000000000000, -0.0003089100000000, -0.0004920900000000 ]  - [   0.0000000000000000, -0.0004238500000000, -0.0001353100000000 ]  - [  -0.0004871700000000,  0.0006291900000000,  0.0000654000000000 ]  - [   0.0004871700000000,  0.0006291900000000,  0.0000654000000000 ]  - [   0.0000599600000000, -0.0003933600000000,  0.0002917600000000 ]  - [  -0.0000599600000000, -0.0003933600000000,  0.0002917600000000 ]  - [   0.0000000000000000,  0.0018790700000000,  0.0001304700000000 ]  - [   0.0000000000000000,  0.0003793800000000, -0.0000172300000000 ]  - [   0.0037532700000000, -0.0011540900000000,  0.0024727900000000 ]  - [   0.0003175000000000, -0.0005019400000000,  0.0002675900000000 ]  - [  -0.0003438600000000,  0.0004447400000000, -0.0003811100000000 ]  - [   0.0000988200000000,  0.0000906600000000, -0.0000845600000000 ]  - [  -0.0002038000000000, -0.0004970800000000, -0.0009907800000000 ]  - [   0.0001325400000000,  0.0001261900000000, -0.0000923200000000 ]  - [   0.0086742500000000,  0.0066600100000000, -0.0006164800000000 ]  - [  -0.0002203600000000,  0.0004827800000000,  0.0001946700000000 ]  - [  -0.0086742500000000,  0.0066600100000000, -0.0006164800000000 ]  - [   0.0002203600000000,  0.0004827800000000,  0.0001946700000000 ]  - [   0.0002038000000000, -0.0004970800000000, -0.0009907800000000 ]  - [  -0.0001325400000000,  0.0001261900000000, -0.0000923200000000 ]  - [   0.0003438600000000,  0.0004447400000000, -0.0003811100000000 ]  - [  -0.0000988200000000,  0.0000906600000000, -0.0000845600000000 ]  - [  -0.0037532700000000, -0.0011540900000000,  0.0024727900000000 ]  - [  -0.0003175000000000, -0.0005019400000000,  0.0002675900000000 ]  - [   0.0000000000000000,  0.0050991100000000,  0.1264587800000000 ]  - [   0.0000000000000000, -0.0007928600000000, -0.0002456600000000 ]  - [   0.0000000000000000,  0.0004412900000000, -0.0010640900000000 ]  - [   0.0000000000000000,  0.0004691500000000, -0.0003608200000000 ]  - [   0.0003879700000000,  0.0006481600000000,  0.0003779900000000 ]  - [  -0.0003879700000000,  0.0006481600000000,  0.0003779900000000 ]  - [  -0.0003295000000000, -0.0007458200000000, -0.0002278500000000 ]  - [   0.0003295000000000, -0.0007458200000000, -0.0002278500000000 ]  - [   0.0003394800000000, -0.0007139600000000, -0.0024509800000000 ]  - [  -0.0003394800000000, -0.0007139600000000, -0.0024509800000000 ]  - [   0.0001039600000000,  0.0005603300000000, -0.0004925400000000 ]  - [  -0.0001039600000000,  0.0005603300000000, -0.0004925400000000 ]  - [   0.0000000000000000,  0.0007941100000000, -0.0013661500000000 ]  - [   0.0000000000000000,  0.0005418300000000,  0.0004099900000000 ]  - [   0.0000000000000000,  0.0006767600000000,  0.0016696800000000 ]  - [   0.0000000000000000, -0.0006089800000000,  0.0005575700000000 ]  - [   0.0000744300000000, -0.0001654900000000,  0.0006960700000000 ]  - [   0.0001141700000000, -0.0001166800000000,  0.0003298200000000 ]  - [  -0.0006099000000000, -0.0021533200000000,  0.0022798300000000 ]  - [   0.0001444900000000,  0.0000883800000000, -0.0003591400000000 ]  - [   0.0003504300000000, -0.0000258300000000,  0.0003579000000000 ]  - [   0.0001415100000000, -0.0002350700000000, -0.0002295600000000 ]  - [  -0.0000210400000000,  0.0000013000000000,  0.0004682800000000 ]  - [  -0.0000633000000000, -0.0000601900000000,  0.0003911400000000 ]  - [  -0.0008702000000000, -0.0000724500000000,  0.0004602500000000 ]  - [   0.0002144400000000,  0.0003555100000000, -0.0001966400000000 ]  - [   0.0012457000000000,  0.0002688300000000,  0.0001840200000000 ]  - [  -0.0012457000000000,  0.0002688300000000,  0.0001840200000000 ]  - [   0.0000000000000000,  0.0062977500000000, -0.0964417900000000 ]  - [   0.0000000000000000, -0.0000443400000000, -0.0001153400000000 ]  - [  -0.0002064500000000,  0.0001193000000000,  0.0000310800000000 ]  - [   0.0002064500000000,  0.0001193000000000,  0.0000310800000000 ]  - [   0.0000000000000000,  0.0003286000000000,  0.0009939500000000 ]  - [   0.0000000000000000,  0.0000733200000000,  0.0001623700000000 ]  - [   0.0004737300000000, -0.0000953300000000, -0.0000690500000000 ]  - [  -0.0002516800000000,  0.0001075300000000, -0.0002357600000000 ]  - [   0.0024107700000000, -0.0052912400000000, -0.0141413700000000 ]  - [   0.0000601900000000,  0.0002347700000000,  0.0001211100000000 ]  - [  -0.0010415100000000, -0.0008863100000000,  0.0000987000000000 ]  - [  -0.0002451600000000,  0.0001729000000000,  0.0002957600000000 ]  - [   0.0000210400000000,  0.0000013000000000,  0.0004682800000000 ]  - [   0.0000633000000000, -0.0000601900000000,  0.0003911400000000 ]  - [   0.0008702000000000, -0.0000724500000000,  0.0004602500000000 ]  - [  -0.0002144400000000,  0.0003555100000000, -0.0001966400000000 ]  - [  -0.0004737300000000, -0.0000953300000000, -0.0000690500000000 ]  - [   0.0002516800000000,  0.0001075300000000, -0.0002357600000000 ]  - [  -0.0000744300000000, -0.0001654900000000,  0.0006960700000000 ]  - [  -0.0001141700000000, -0.0001166800000000,  0.0003298200000000 ]  - [   0.0006099000000000, -0.0021533200000000,  0.0022798300000000 ]  - [  -0.0001444900000000,  0.0000883800000000, -0.0003591400000000 ]  - [   0.0000000000000000, -0.0011626800000000, -0.0022542400000000 ]  - [   0.0000000000000000,  0.0000209900000000, -0.0001882000000000 ]  - [  -0.0017807100000000, -0.0014674700000000, -0.0002802700000000 ]  - [   0.0017807100000000, -0.0014674700000000, -0.0002802700000000 ]  - [   0.0000000000000000, -0.0003867900000000,  0.0011415200000000 ]  - [   0.0000000000000000,  0.0000313100000000, -0.0000261100000000 ]  - [  -0.0001520600000000, -0.0000767600000000,  0.0002559400000000 ]  - [   0.0001520600000000, -0.0000767600000000,  0.0002559400000000 ]  - [  -0.0003504300000000, -0.0000258300000000,  0.0003579000000000 ]  - [  -0.0001415100000000, -0.0002350700000000, -0.0002295600000000 ]  - [   0.0010415100000000, -0.0008863100000000,  0.0000987000000000 ]  - [   0.0002451600000000,  0.0001729000000000,  0.0002957600000000 ]  - [  -0.0024107700000000, -0.0052912400000000, -0.0141413700000000 ]  - [  -0.0000601900000000,  0.0002347700000000,  0.0001211100000000 ]- atom:   49  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0010913700000000, -0.0011797700000000,  0.0000834000000000 ]  - [   0.0012254100000000, -0.0006288000000000,  0.0008726700000000 ]  - [   0.0006040000000000,  0.0006324100000000,  0.0004687800000000 ]  - [  -0.0006930000000000,  0.0004681600000000, -0.0000088700000000 ]  - [   0.0004839100000000, -0.0001225900000000, -0.0004039000000000 ]  - [  -0.0003574200000000, -0.0004962100000000,  0.0001049400000000 ]  - [  -0.0001936300000000,  0.0003964500000000, -0.0001262600000000 ]  - [   0.0001823400000000,  0.0005585000000000, -0.0000088900000000 ]  - [   0.0057161500000000, -0.0046111900000000, -0.0024233000000000 ]  - [  -0.0007933700000000, -0.0003370900000000, -0.0001042400000000 ]  - [  -0.0007178600000000,  0.0006335900000000,  0.0004763200000000 ]  - [  -0.0002916700000000,  0.0003567000000000, -0.0002072500000000 ]  - [  -0.0003234600000000, -0.0003889400000000, -0.0000570500000000 ]  - [   0.0001300400000000, -0.0006154500000000,  0.0003924800000000 ]  - [   0.0003485400000000,  0.0003329300000000,  0.0000281500000000 ]  - [  -0.0002295400000000,  0.0004299800000000, -0.0000303500000000 ]  - [   0.0004386700000000,  0.0001051100000000, -0.0002043400000000 ]  - [  -0.0004271500000000, -0.0001864100000000,  0.0001738100000000 ]  - [   0.0012225100000000, -0.0013992100000000,  0.0010774600000000 ]  - [  -0.0008007000000000, -0.0000115600000000,  0.0000001000000000 ]  - [   0.0020151300000000, -0.0004119400000000,  0.0003680000000000 ]  - [  -0.0007693900000000,  0.0001241400000000, -0.0002084800000000 ]  - [   0.0004962100000000, -0.0001623800000000,  0.0003041500000000 ]  - [  -0.0003821900000000,  0.0000106100000000, -0.0000440300000000 ]  - [   0.0000168100000000, -0.0002912100000000,  0.0003564600000000 ]  - [  -0.0000231200000000,  0.0002049400000000, -0.0002809300000000 ]  - [  -0.0016888400000000, -0.0010148300000000, -0.0005835400000000 ]  - [  -0.0009189000000000, -0.0002956000000000,  0.0004664400000000 ]  - [  -0.0004090300000000,  0.0012127600000000, -0.0019727100000000 ]  - [  -0.0011593500000000,  0.0005466200000000,  0.0002997400000000 ]  - [   0.0000791400000000, -0.0002706300000000,  0.0002981100000000 ]  - [  -0.0001262100000000,  0.0001625000000000, -0.0004025700000000 ]  - [   0.0002121800000000, -0.0007509700000000, -0.0003885500000000 ]  - [  -0.0001838300000000, -0.0005722400000000, -0.0004265500000000 ]  - [   0.0422279300000000,  0.0312442600000000, -0.0027995600000000 ]  - [  -0.0008894100000000,  0.0005519400000000, -0.0003723200000000 ]  - [  -0.0002490600000000,  0.0007975600000000,  0.0000968000000000 ]  - [   0.0003429800000000, -0.0002079300000000,  0.0011780600000000 ]  - [  -0.0005493700000000, -0.0004035700000000,  0.0005638000000000 ]  - [   0.0006124600000000, -0.0005189600000000, -0.0001668800000000 ]  - [  -0.0000884900000000, -0.0006822800000000, -0.0003751000000000 ]  - [   0.0001168900000000, -0.0004714600000000, -0.0003338800000000 ]  - [  -0.0008035800000000,  0.0006441700000000, -0.0005549900000000 ]  - [   0.0007527400000000, -0.0011157100000000, -0.0013345300000000 ]  - [   0.0007290400000000,  0.0002607100000000, -0.0003060700000000 ]  - [  -0.0004825100000000,  0.0005339800000000,  0.0004563000000000 ]  - [   0.0007475600000000, -0.0005538600000000,  0.0006673500000000 ]  - [  -0.0008270800000000, -0.0008476100000000,  0.0004585900000000 ]  - [  -0.0683317500000000, -0.0273439300000000, -0.0006822900000000 ]  - [   0.0007456400000000, -0.0000023600000000,  0.0002416400000000 ]  - [  -0.0008648200000000,  0.0000146100000000, -0.0009705200000000 ]  - [   0.0010350200000000,  0.0001616700000000, -0.0002218900000000 ]  - [  -0.0008497500000000, -0.0002526400000000,  0.0000833000000000 ]  - [   0.0006201900000000, -0.0000073500000000, -0.0002060700000000 ]  - [  -0.0016565800000000,  0.0006961800000000,  0.0000628300000000 ]  - [   0.0007414000000000,  0.0000052500000000,  0.0004859900000000 ]  - [  -0.0012122600000000, -0.0002780400000000,  0.0000397700000000 ]  - [   0.0006893600000000,  0.0000088300000000, -0.0004472100000000 ]  - [   0.0003108700000000, -0.0001268700000000, -0.0003085900000000 ]  - [  -0.0002844300000000,  0.0000590900000000,  0.0003370800000000 ]  - [  -0.0002153800000000,  0.0000720100000000, -0.0001668800000000 ]  - [   0.0002475600000000, -0.0000350300000000,  0.0001313000000000 ]  - [   0.0004993300000000,  0.0000798100000000,  0.0003863400000000 ]  - [   0.0008841000000000, -0.0011314900000000, -0.0018044400000000 ]  - [   0.0014556900000000,  0.0048962100000000,  0.0069793400000000 ]  - [   0.0006211200000000,  0.0000968600000000,  0.0000233000000000 ]  - [  -0.0019489700000000,  0.0009473300000000, -0.0004410500000000 ]  - [   0.0003698500000000, -0.0002416400000000, -0.0001723400000000 ]  - [  -0.0002745500000000,  0.0002052300000000,  0.0002700700000000 ]  - [   0.0004305000000000,  0.0001184900000000,  0.0002570500000000 ]  - [  -0.0003054400000000,  0.0000148900000000,  0.0000506700000000 ]  - [   0.0001958600000000,  0.0001742700000000,  0.0002213500000000 ]  - [   0.0011336000000000,  0.0002104400000000,  0.0005310400000000 ]  - [   0.0011313500000000, -0.0011602900000000, -0.0003526700000000 ]  - [   0.0007076200000000,  0.0000205400000000, -0.0006121300000000 ]  - [   0.0007070200000000,  0.0009873600000000,  0.0004288600000000 ]  - [   0.0002428300000000, -0.0002350100000000,  0.0000466000000000 ]  - [   0.0002409800000000, -0.0000937600000000, -0.0003750100000000 ]  - [   0.0121570100000000, -0.0022959400000000,  0.0001151000000000 ]  - [   0.0004076500000000, -0.0003229300000000,  0.0002291300000000 ]  - [  -0.0000061700000000, -0.0000073500000000, -0.0007721500000000 ]  - [   0.0011430100000000,  0.0000410400000000,  0.0001409400000000 ]  - [  -0.0003701000000000, -0.0001391300000000, -0.0004159300000000 ]  - [   0.0004597200000000,  0.0001009700000000,  0.0000835000000000 ]  - [   0.0001915300000000,  0.0000501100000000, -0.0000847300000000 ]  - [  -0.0001764100000000, -0.0001864500000000,  0.0003638600000000 ]  - [   0.0003059400000000, -0.0012540100000000,  0.0010434100000000 ]  - [   0.0006088900000000,  0.0000446600000000, -0.0002391900000000 ]  - [   0.0006808200000000, -0.0000286300000000,  0.0003480900000000 ]  - [   0.0035157200000000,  0.0037880500000000, -0.0007234400000000 ]  - [   0.0001686400000000,  0.0003566200000000,  0.0007925800000000 ]  - [   0.0005262800000000, -0.0002680400000000, -0.0005961600000000 ]  - [   0.0001131700000000,  0.0001761400000000,  0.0002246000000000 ]  - [   0.0001131700000000,  0.0000343900000000,  0.0001225000000000 ]  - [  -0.0001894600000000,  0.0002722700000000,  0.0002430000000000 ]  - [   0.0000535300000000,  0.0001179900000000,  0.0002426600000000 ]- atom:   49  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0010932200000000,  0.0003853400000000, -0.0001660000000000 ]  - [  -0.0011795000000000, -0.0002247000000000, -0.0009233400000000 ]  - [  -0.0006009300000000,  0.0001833100000000, -0.0003901900000000 ]  - [   0.0006894300000000,  0.0003388300000000,  0.0000893600000000 ]  - [  -0.0004818900000000, -0.0006813700000000,  0.0004871500000000 ]  - [   0.0003562700000000, -0.0003104900000000, -0.0000231900000000 ]  - [   0.0001920800000000,  0.0004099400000000,  0.0000436200000000 ]  - [  -0.0001809500000000,  0.0002488400000000, -0.0000741900000000 ]  - [  -0.0057795000000000,  0.0039276200000000,  0.0023907100000000 ]  - [   0.0007899000000000, -0.0004687500000000,  0.0000246000000000 ]  - [   0.0007189200000000,  0.0001677300000000, -0.0004003800000000 ]  - [   0.0002995500000000,  0.0004600700000000,  0.0003037400000000 ]  - [   0.0003216900000000, -0.0004174800000000,  0.0001380900000000 ]  - [  -0.0001267700000000, -0.0001892600000000, -0.0003117300000000 ]  - [  -0.0003472700000000,  0.0004717700000000, -0.0001125900000000 ]  - [   0.0002289300000000,  0.0003767900000000, -0.0000520500000000 ]  - [  -0.0004359600000000, -0.0001884900000000,  0.0002013300000000 ]  - [   0.0004247300000000,  0.0001020900000000, -0.0001745500000000 ]  - [  -0.0012356100000000,  0.0015030700000000, -0.0009886200000000 ]  - [   0.0007976100000000,  0.0000926700000000,  0.0000018100000000 ]  - [  -0.0020120300000000,  0.0004926400000000, -0.0003653800000000 ]  - [   0.0007647500000000, -0.0000420400000000,  0.0002082400000000 ]  - [  -0.0004938300000000,  0.0000802100000000, -0.0003076900000000 ]  - [   0.0003798400000000, -0.0000931800000000,  0.0000424000000000 ]  - [  -0.0000170200000000,  0.0002075000000000, -0.0003564700000000 ]  - [   0.0000218100000000, -0.0002867400000000,  0.0002780700000000 ]  - [   0.0016780000000000,  0.0010909800000000,  0.0005759800000000 ]  - [   0.0009194200000000,  0.0003741900000000, -0.0004622500000000 ]  - [   0.0004002000000000, -0.0011381500000000,  0.0019798700000000 ]  - [   0.0011584800000000, -0.0004643600000000, -0.0002961200000000 ]  - [  -0.0000768500000000,  0.0001845400000000, -0.0002967000000000 ]  - [   0.0001244400000000, -0.0002452500000000,  0.0003974700000000 ]  - [  -0.0002124100000000, -0.0004556000000000, -0.0004418300000000 ]  - [   0.0001824100000000, -0.0006333900000000, -0.0004039300000000 ]  - [  -0.0439179500000000, -0.0316054700000000,  0.0019204600000000 ]  - [   0.0008849900000000,  0.0006570700000000, -0.0004570700000000 ]  - [   0.0002491300000000,  0.0004086200000000,  0.0007280700000000 ]  - [  -0.0003320300000000,  0.0014066800000000, -0.0003541500000000 ]  - [   0.0005445400000000, -0.0007985600000000,  0.0002640100000000 ]  - [  -0.0006039300000000, -0.0006809900000000,  0.0009906700000000 ]  - [   0.0000879500000000, -0.0005217600000000, -0.0004525900000000 ]  - [  -0.0001151100000000, -0.0007300800000000, -0.0004945900000000 ]  - [   0.0007960900000000,  0.0005542100000000, -0.0002716100000000 ]  - [  -0.0007471300000000,  0.0023033500000000,  0.0005207800000000 ]  - [  -0.0007207100000000,  0.0009495900000000,  0.0011134300000000 ]  - [   0.0004825900000000,  0.0006708800000000,  0.0003728000000000 ]  - [  -0.0007448800000000, -0.0006481800000000,  0.0001662500000000 ]  - [   0.0008232200000000, -0.0003594600000000,  0.0003747900000000 ]  - [   0.0703902000000000,  0.0286801300000000,  0.0010338400000000 ]  - [  -0.0005370800000000, -0.0002777100000000,  0.0002013700000000 ]  - [   0.0010685100000000,  0.0002611800000000,  0.0005314200000000 ]  - [  -0.0008259400000000,  0.0001164100000000, -0.0002188400000000 ]  - [   0.0010531800000000, -0.0000306800000000, -0.0005259700000000 ]  - [  -0.0004124200000000, -0.0002708200000000, -0.0002357800000000 ]  - [   0.0014420300000000, -0.0009687600000000,  0.0003700900000000 ]  - [  -0.0009416700000000, -0.0002845800000000, -0.0000458700000000 ]  - [   0.0009994600000000,  0.0005526600000000, -0.0004832200000000 ]  - [  -0.0008918200000000,  0.0002731500000000,  0.0000038200000000 ]  - [  -0.0003079400000000,  0.0000788600000000,  0.0001358200000000 ]  - [   0.0002839300000000, -0.0001052400000000, -0.0005044900000000 ]  - [   0.0002143800000000, -0.0001196000000000,  0.0003411600000000 ]  - [  -0.0002459500000000, -0.0000121300000000,  0.0000429500000000 ]  - [  -0.0004923300000000, -0.0000329200000000, -0.0005543700000000 ]  - [  -0.0008871900000000,  0.0011780800000000,  0.0016155000000000 ]  - [  -0.0014643600000000, -0.0048975700000000, -0.0068394700000000 ]  - [  -0.0006180100000000, -0.0000504500000000,  0.0001454000000000 ]  - [   0.0017319800000000, -0.0012516100000000, -0.0000184900000000 ]  - [  -0.0005717100000000, -0.0000379700000000, -0.0002706300000000 ]  - [   0.0004770600000000,  0.0000743100000000,  0.0001748400000000 ]  - [  -0.0002241900000000,  0.0001603500000000,  0.0001876000000000 ]  - [   0.0000980300000000,  0.0002635900000000,  0.0003913000000000 ]  - [  -0.0003975300000000,  0.0001045700000000,  0.0002205100000000 ]  - [  -0.0009159800000000, -0.0004903400000000, -0.0000867200000000 ]  - [  -0.0009184200000000,  0.0008828500000000,  0.0007843900000000 ]  - [  -0.0004941900000000,  0.0002576900000000,  0.0001641900000000 ]  - [  -0.0004946900000000, -0.0006979900000000, -0.0008663200000000 ]  - [  -0.0000351700000000, -0.0000432300000000, -0.0004885500000000 ]  - [  -0.0000369500000000, -0.0001844600000000, -0.0000662900000000 ]  - [  -0.0125692100000000,  0.0019741400000000,  0.0003508200000000 ]  - [  -0.0006135000000000,  0.0000382800000000,  0.0002120500000000 ]  - [  -0.0001983300000000,  0.0002847800000000,  0.0003272700000000 ]  - [  -0.0013409600000000,  0.0002334400000000, -0.0005852900000000 ]  - [   0.0003665900000000,  0.0000936800000000,  0.0002483800000000 ]  - [  -0.0004563400000000, -0.0001464900000000, -0.0002543600000000 ]  - [  -0.0001894600000000, -0.0000968300000000,  0.0002572500000000 ]  - [   0.0001771000000000,  0.0001383500000000, -0.0001862400000000 ]  - [  -0.0002932800000000,  0.0012796500000000, -0.0011865900000000 ]  - [  -0.0006065100000000,  0.0000023600000000,  0.0000662400000000 ]  - [  -0.0006733800000000,  0.0000758900000000, -0.0001774000000000 ]  - [  -0.0035066700000000, -0.0037311000000000,  0.0008909400000000 ]  - [  -0.0003690200000000, -0.0006434400000000, -0.0012331900000000 ]  - [  -0.0007308500000000, -0.0000107200000000,  0.0001515600000000 ]  - [   0.0000910300000000,  0.0001031800000000,  0.0002198000000000 ]  - [   0.0000909900000000,  0.0002438800000000,  0.0003212900000000 ]  - [  -0.0000147200000000,  0.0000073900000000,  0.0002011100000000 ]  - [  -0.0002566100000000,  0.0001610000000000,  0.0002006900000000 ]- atom:   49  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0002167700000000, -0.0007812700000000,  0.0000152000000000 ]  - [  -0.0013732700000000,  0.0018394300000000, -0.0013506400000000 ]  - [   0.0000847800000000, -0.0018726300000000,  0.0006441300000000 ]  - [  -0.0000151100000000,  0.0003651200000000,  0.0001077300000000 ]  - [  -0.0000052400000000, -0.0004984100000000, -0.0004626700000000 ]  - [  -0.0000513600000000, -0.0004375900000000,  0.0000231100000000 ]  - [  -0.0000221300000000,  0.0004265600000000, -0.0000951800000000 ]  - [   0.0000963800000000,  0.0003692000000000, -0.0000423800000000 ]  - [  -0.0013671700000000,  0.0035912000000000,  0.0025396000000000 ]  - [  -0.0000687800000000, -0.0004330200000000, -0.0000172500000000 ]  - [  -0.0000173500000000,  0.0005300300000000,  0.0001888000000000 ]  - [  -0.0004343300000000,  0.0001241500000000, -0.0007417500000000 ]  - [  -0.0001200600000000, -0.0004129400000000,  0.0000180300000000 ]  - [   0.0001730300000000, -0.0002850900000000,  0.0001674600000000 ]  - [  -0.0000758900000000,  0.0005189800000000, -0.0000592400000000 ]  - [  -0.0000136300000000,  0.0004020700000000, -0.0000562600000000 ]  - [   0.0001244900000000, -0.0000007900000000, -0.0001284000000000 ]  - [   0.0000278900000000,  0.0000161100000000, -0.0000517200000000 ]  - [   0.0026995500000000,  0.0004612300000000, -0.0139639100000000 ]  - [  -0.0002802800000000, -0.0000410100000000,  0.0000146800000000 ]  - [   0.0011772500000000, -0.0012457800000000, -0.0002446600000000 ]  - [  -0.0002146900000000, -0.0000258300000000,  0.0000558800000000 ]  - [   0.0001308200000000, -0.0002931200000000,  0.0001425300000000 ]  - [   0.0001356100000000, -0.0001657500000000, -0.0000502300000000 ]  - [  -0.0001247300000000, -0.0002483400000000,  0.0000772000000000 ]  - [   0.0000321700000000, -0.0000812300000000, -0.0000296600000000 ]  - [  -0.0022307900000000, -0.0022880400000000, -0.0001181400000000 ]  - [  -0.0000589200000000, -0.0002554500000000,  0.0000767100000000 ]  - [   0.0004302100000000,  0.0010943600000000, -0.0008747300000000 ]  - [  -0.0006301100000000,  0.0004867800000000,  0.0001946200000000 ]  - [  -0.0001425400000000,  0.0001901800000000, -0.0003384500000000 ]  - [  -0.0000492600000000, -0.0000062300000000, -0.0001440600000000 ]  - [  -0.0000418500000000, -0.0007081800000000, -0.0003914700000000 ]  - [  -0.0000282300000000, -0.0005682900000000, -0.0004393500000000 ]  - [   0.0262487800000000,  0.0374939700000000, -0.0058783800000000 ]  - [  -0.0001764300000000,  0.0006728700000000, -0.0003199200000000 ]  - [  -0.0001324500000000,  0.0005775300000000,  0.0002009200000000 ]  - [   0.0003535900000000,  0.0005090000000000,  0.0006297200000000 ]  - [   0.0005234700000000, -0.0009458700000000,  0.0006650100000000 ]  - [   0.0002485600000000, -0.0010337100000000,  0.0004655500000000 ]  - [  -0.0001464000000000, -0.0006217000000000, -0.0004952800000000 ]  - [   0.0001603400000000, -0.0003564800000000, -0.0005591800000000 ]  - [   0.0001059900000000,  0.0014401800000000, -0.0003810600000000 ]  - [  -0.0007897400000000, -0.0006031600000000, -0.0014232100000000 ]  - [  -0.0006163300000000,  0.0000140300000000,  0.0026994800000000 ]  - [  -0.0001246000000000,  0.0006318100000000,  0.0004665100000000 ]  - [   0.0000851400000000, -0.0005028500000000,  0.0005301600000000 ]  - [   0.0001925000000000, -0.0006028200000000,  0.0003172500000000 ]  - [  -0.0273058600000000, -0.0485817500000000,  0.0121754600000000 ]  - [   0.0002408100000000, -0.0000516800000000,  0.0001951300000000 ]  - [   0.0002314200000000,  0.0009685500000000, -0.0009980100000000 ]  - [   0.0000813800000000,  0.0003840000000000, -0.0002285400000000 ]  - [  -0.0000078700000000,  0.0000687300000000,  0.0000931100000000 ]  - [   0.0002360900000000, -0.0001067100000000, -0.0001943800000000 ]  - [  -0.0009362500000000, -0.0006048100000000,  0.0002144100000000 ]  - [  -0.0002495800000000, -0.0002709500000000,  0.0001955200000000 ]  - [  -0.0005197600000000,  0.0009095600000000, -0.0003798800000000 ]  - [  -0.0002366600000000, -0.0000992900000000, -0.0002703700000000 ]  - [  -0.0002197100000000,  0.0003943200000000,  0.0001995500000000 ]  - [  -0.0001054400000000,  0.0001371800000000, -0.0001859500000000 ]  - [   0.0000064700000000,  0.0000626600000000, -0.0000698100000000 ]  - [   0.0000083300000000,  0.0000117100000000,  0.0001209500000000 ]  - [   0.0004027400000000,  0.0002540200000000, -0.0000460600000000 ]  - [  -0.0004925200000000,  0.0001248900000000,  0.0003928600000000 ]  - [   0.0041493800000000,  0.0048740400000000,  0.0070764400000000 ]  - [   0.0001712700000000,  0.0000690800000000, -0.0000177900000000 ]  - [  -0.0012097600000000,  0.0013975300000000,  0.0026972000000000 ]  - [  -0.0000012700000000, -0.0001084700000000, -0.0002041400000000 ]  - [   0.0000378000000000,  0.0002102300000000,  0.0002671000000000 ]  - [   0.0001239400000000,  0.0000912700000000,  0.0002134600000000 ]  - [  -0.0002278800000000,  0.0002162000000000,  0.0003247100000000 ]  - [  -0.0000693300000000,  0.0002891900000000,  0.0003678300000000 ]  - [  -0.0009212700000000,  0.0013071600000000, -0.0007848600000000 ]  - [   0.0004543600000000,  0.0013164000000000,  0.0006453800000000 ]  - [  -0.0007420200000000,  0.0009124500000000,  0.0000948800000000 ]  - [   0.0002217900000000,  0.0009129600000000, -0.0001034500000000 ]  - [   0.0001485900000000, -0.0002830200000000, -0.0001576300000000 ]  - [   0.0000067200000000, -0.0002837700000000, -0.0003133400000000 ]  - [   0.0020434900000000, -0.0075524100000000,  0.0017341200000000 ]  - [   0.0000783100000000, -0.0005006800000000,  0.0003330600000000 ]  - [  -0.0002514800000000,  0.0006218900000000, -0.0005741200000000 ]  - [  -0.0001996800000000, -0.0003179100000000, -0.0002782200000000 ]  - [   0.0000416600000000, -0.0001374700000000, -0.0003248500000000 ]  - [  -0.0001057700000000, -0.0000755800000000, -0.0000720400000000 ]  - [   0.0000446200000000, -0.0000928500000000,  0.0001945400000000 ]  - [   0.0000117800000000, -0.0002130000000000,  0.0003902800000000 ]  - [  -0.0020980100000000,  0.0023601500000000, -0.0043420500000000 ]  - [   0.0001486100000000, -0.0000014400000000, -0.0001083000000000 ]  - [   0.0005571900000000, -0.0003813300000000,  0.0001757600000000 ]  - [   0.0033924200000000,  0.0030347500000000, -0.0007505500000000 ]  - [  -0.0006037900000000,  0.0017519200000000, -0.0000544100000000 ]  - [   0.0000233900000000, -0.0001277300000000, -0.0003782800000000 ]  - [   0.0002083400000000,  0.0001148300000000,  0.0002553500000000 ]  - [   0.0000663900000000,  0.0001153500000000,  0.0002319800000000 ]  - [   0.0000292300000000,  0.0002702600000000,  0.0004035300000000 ]  - [  -0.0001247200000000,  0.0001703800000000,  0.0002612800000000 ]- atom:   49  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0002182400000000, -0.0000311800000000, -0.0000956600000000 ]  - [   0.0014488000000000, -0.0027196900000000,  0.0013032000000000 ]  - [  -0.0000884200000000,  0.0026656900000000, -0.0005770300000000 ]  - [   0.0000145500000000,  0.0004399900000000, -0.0000258700000000 ]  - [   0.0000027000000000, -0.0003083200000000,  0.0005470100000000 ]  - [   0.0000521700000000, -0.0003689600000000,  0.0000583800000000 ]  - [   0.0000219000000000,  0.0003793700000000,  0.0000119600000000 ]  - [  -0.0000966300000000,  0.0004363300000000, -0.0000414800000000 ]  - [   0.0012278600000000, -0.0042226000000000, -0.0025418600000000 ]  - [   0.0000704000000000, -0.0003734600000000, -0.0000626800000000 ]  - [   0.0000181600000000,  0.0002784800000000, -0.0001067700000000 ]  - [   0.0004312600000000,  0.0006800700000000,  0.0008181800000000 ]  - [   0.0001194400000000, -0.0003937100000000,  0.0000634300000000 ]  - [  -0.0001699400000000, -0.0005175100000000, -0.0000870100000000 ]  - [   0.0000755500000000,  0.0002866200000000, -0.0000268200000000 ]  - [   0.0000146000000000,  0.0004037000000000, -0.0000268500000000 ]  - [  -0.0001241100000000, -0.0000827400000000,  0.0001268700000000 ]  - [  -0.0000270400000000, -0.0000992900000000,  0.0000504800000000 ]  - [  -0.0026478400000000, -0.0004316800000000,  0.0137700500000000 ]  - [   0.0002798300000000,  0.0001229800000000, -0.0000144900000000 ]  - [  -0.0011788900000000,  0.0013218600000000,  0.0002464000000000 ]  - [   0.0002143400000000,  0.0001080300000000, -0.0000548800000000 ]  - [  -0.0001340900000000,  0.0002150500000000, -0.0001498800000000 ]  - [  -0.0001335000000000,  0.0000808600000000,  0.0000495700000000 ]  - [   0.0001249100000000,  0.0001645300000000, -0.0000787200000000 ]  - [  -0.0000333100000000, -0.0000028500000000,  0.0000284800000000 ]  - [   0.0022179800000000,  0.0023642300000000,  0.0001141000000000 ]  - [   0.0000629600000000,  0.0003344300000000, -0.0000765700000000 ]  - [  -0.0004355500000000, -0.0010093200000000,  0.0008729900000000 ]  - [   0.0006287700000000, -0.0004000400000000, -0.0001921000000000 ]  - [   0.0001425500000000, -0.0002708900000000,  0.0003347000000000 ]  - [   0.0000474100000000, -0.0000779200000000,  0.0001425900000000 ]  - [   0.0000390500000000, -0.0004992200000000, -0.0004393300000000 ]  - [   0.0000277100000000, -0.0006396300000000, -0.0003911100000000 ]  - [  -0.0273762300000000, -0.0369325300000000,  0.0050519300000000 ]  - [   0.0001751100000000,  0.0005309400000000, -0.0005075300000000 ]  - [   0.0001332400000000,  0.0006289200000000,  0.0006289700000000 ]  - [  -0.0003419800000000,  0.0006971000000000,  0.0001978500000000 ]  - [  -0.0005194000000000, -0.0002598000000000,  0.0001639000000000 ]  - [  -0.0002446900000000, -0.0001762700000000,  0.0003660100000000 ]  - [   0.0001453600000000, -0.0005836700000000, -0.0003346200000000 ]  - [  -0.0001620900000000, -0.0008466800000000, -0.0002695600000000 ]  - [  -0.0001012800000000, -0.0002342700000000, -0.0004454800000000 ]  - [   0.0007748900000000,  0.0017872500000000,  0.0006001100000000 ]  - [   0.0006132700000000,  0.0011962700000000, -0.0018759400000000 ]  - [   0.0001259700000000,  0.0005807000000000,  0.0003667000000000 ]  - [  -0.0000795000000000, -0.0007110600000000,  0.0002986400000000 ]  - [  -0.0001921000000000, -0.0005997900000000,  0.0005088400000000 ]  - [   0.0287018500000000,  0.0488656900000000, -0.0116518000000000 ]  - [  -0.0000344900000000, -0.0002256000000000,  0.0002449100000000 ]  - [  -0.0000160300000000, -0.0006944400000000,  0.0005775300000000 ]  - [   0.0001251400000000, -0.0001067000000000, -0.0002117300000000 ]  - [   0.0002136900000000, -0.0003484400000000, -0.0005331700000000 ]  - [  -0.0000292800000000, -0.0001701800000000, -0.0002451400000000 ]  - [   0.0007303300000000,  0.0003296700000000,  0.0002297800000000 ]  - [   0.0000410300000000, -0.0000047700000000,  0.0002447100000000 ]  - [   0.0003112900000000, -0.0006216700000000, -0.0000637200000000 ]  - [   0.0000278200000000,  0.0003750500000000, -0.0001714100000000 ]  - [   0.0002165200000000, -0.0004362900000000, -0.0003668800000000 ]  - [   0.0001071200000000, -0.0001821800000000,  0.0000159600000000 ]  - [  -0.0000067300000000, -0.0001105200000000,  0.0002435000000000 ]  - [  -0.0000087800000000, -0.0000571500000000,  0.0000498700000000 ]  - [  -0.0004026300000000, -0.0002061400000000, -0.0001244100000000 ]  - [   0.0004877300000000, -0.0000763000000000, -0.0005604500000000 ]  - [  -0.0042002000000000, -0.0048426900000000, -0.0069165500000000 ]  - [  -0.0001713900000000, -0.0000237300000000,  0.0001858900000000 ]  - [   0.0009910400000000, -0.0016776500000000, -0.0031118500000000 ]  - [  -0.0002045700000000, -0.0001695800000000, -0.0002375000000000 ]  - [   0.0001683800000000,  0.0000671000000000,  0.0001748600000000 ]  - [   0.0000817200000000,  0.0001853100000000,  0.0002285100000000 ]  - [   0.0000212400000000,  0.0000599000000000,  0.0001174100000000 ]  - [  -0.0001382200000000, -0.0000119800000000,  0.0000740300000000 ]  - [   0.0011211200000000, -0.0015772800000000,  0.0012156500000000 ]  - [  -0.0002475400000000, -0.0015683200000000, -0.0002007000000000 ]  - [   0.0009427800000000, -0.0006289900000000, -0.0005322600000000 ]  - [  -0.0000155100000000, -0.0006281300000000, -0.0003370500000000 ]  - [   0.0000575100000000,  0.0000056600000000, -0.0002814700000000 ]  - [   0.0001966700000000,  0.0000037900000000, -0.0001263600000000 ]  - [  -0.0022259100000000,  0.0072993100000000, -0.0012966500000000 ]  - [  -0.0002827600000000,  0.0002209300000000,  0.0001032200000000 ]  - [   0.0000418200000000, -0.0003401500000000,  0.0001341500000000 ]  - [  -0.0000057800000000,  0.0005914400000000, -0.0001639400000000 ]  - [  -0.0000419000000000,  0.0000932000000000,  0.0001544800000000 ]  - [   0.0001048300000000,  0.0000300200000000, -0.0000971100000000 ]  - [  -0.0000458900000000,  0.0000470200000000, -0.0000229800000000 ]  - [  -0.0000086000000000,  0.0001664800000000, -0.0002200300000000 ]  - [   0.0020870800000000, -0.0023114900000000,  0.0041663400000000 ]  - [  -0.0001489700000000,  0.0000449300000000, -0.0000592700000000 ]  - [  -0.0005565800000000,  0.0004266100000000, -0.0000075700000000 ]  - [  -0.0033528500000000, -0.0029618600000000,  0.0009155300000000 ]  - [   0.0003969100000000, -0.0020282100000000, -0.0003888600000000 ]  - [  -0.0002321800000000, -0.0001483500000000, -0.0000636000000000 ]  - [  -0.0000020800000000,  0.0001619400000000,  0.0001883400000000 ]  - [   0.0001393100000000,  0.0001617200000000,  0.0002113300000000 ]  - [  -0.0002347500000000,  0.0000061000000000,  0.0000385900000000 ]  - [  -0.0000816900000000,  0.0001065700000000,  0.0001787700000000 ]- atom:   49  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0003920100000000, -0.0004046700000000,  0.0000505900000000 ]  - [   0.0002777400000000, -0.0005607100000000,  0.0008390200000000 ]  - [  -0.0000904600000000,  0.0007994300000000, -0.0005979700000000 ]  - [  -0.0000645900000000,  0.0004073100000000,  0.0000517600000000 ]  - [   0.0001178100000000, -0.0000142200000000, -0.0000715200000000 ]  - [   0.0000847600000000, -0.0003929800000000, -0.0000090400000000 ]  - [  -0.0001877300000000,  0.0005280500000000, -0.0002282800000000 ]  - [  -0.0000008100000000,  0.0004339700000000, -0.0002855300000000 ]  - [  -0.0011151200000000,  0.0009254300000000,  0.0013575400000000 ]  - [  -0.0001001200000000, -0.0003407600000000,  0.0000290100000000 ]  - [   0.0002723500000000,  0.0004216100000000,  0.0000821900000000 ]  - [   0.0000942100000000,  0.0002808500000000,  0.0014070200000000 ]  - [  -0.0001922200000000, -0.0005970300000000, -0.0000375700000000 ]  - [   0.0003558500000000, -0.0000803200000000, -0.0001904800000000 ]  - [  -0.0001956500000000,  0.0003873200000000, -0.0005523600000000 ]  - [   0.0000247600000000,  0.0004150500000000, -0.0001638800000000 ]  - [  -0.0002691400000000, -0.0002127800000000, -0.0003483800000000 ]  - [   0.0000375500000000, -0.0000777300000000, -0.0001634000000000 ]  - [  -0.0024424500000000, -0.0069942100000000,  0.0396963800000000 ]  - [   0.0000619500000000,  0.0000159700000000,  0.0001457400000000 ]  - [   0.0000498500000000, -0.0003011300000000,  0.0004290100000000 ]  - [  -0.0000239700000000, -0.0001097000000000,  0.0001879900000000 ]  - [  -0.0003625500000000,  0.0006237800000000, -0.0010483700000000 ]  - [   0.0001160000000000, -0.0001088800000000, -0.0001460400000000 ]  - [   0.0000839300000000,  0.0000495400000000, -0.0004483600000000 ]  - [  -0.0001003200000000, -0.0001012900000000, -0.0002416100000000 ]  - [  -0.0020371100000000, -0.0011216900000000,  0.0007281600000000 ]  - [   0.0006706600000000, -0.0003550700000000,  0.0004010900000000 ]  - [  -0.0010858400000000, -0.0005463400000000,  0.0005817900000000 ]  - [   0.0003719500000000, -0.0001076000000000,  0.0002893000000000 ]  - [   0.0002219100000000, -0.0002105100000000, -0.0003898800000000 ]  - [  -0.0000718200000000, -0.0000731300000000, -0.0002343300000000 ]  - [  -0.0000094700000000, -0.0003962400000000, -0.0008855000000000 ]  - [   0.0000191200000000, -0.0005082400000000, -0.0005165100000000 ]  - [  -0.0029228300000000, -0.0058568500000000,  0.0139469400000000 ]  - [  -0.0000480900000000,  0.0007235300000000, -0.0003135900000000 ]  - [  -0.0000567000000000,  0.0007609100000000,  0.0003902600000000 ]  - [   0.0006693500000000,  0.0006874300000000, -0.0002686700000000 ]  - [   0.0003459000000000, -0.0007471700000000,  0.0004321800000000 ]  - [  -0.0001773300000000, -0.0007496800000000,  0.0002655300000000 ]  - [   0.0000903000000000, -0.0005004400000000, -0.0005781800000000 ]  - [  -0.0001653100000000, -0.0006612200000000, -0.0006552400000000 ]  - [   0.0005369300000000,  0.0010072900000000, -0.0004850700000000 ]  - [   0.0000806100000000,  0.0010159600000000, -0.0002689100000000 ]  - [   0.0011803000000000,  0.0004698200000000, -0.0020879300000000 ]  - [   0.0001753100000000,  0.0006024500000000,  0.0005508300000000 ]  - [   0.0000539200000000,  0.0003769300000000, -0.0001594700000000 ]  - [  -0.0001222700000000, -0.0007233800000000,  0.0004255400000000 ]  - [  -0.0009189300000000,  0.0113213200000000, -0.0634992800000000 ]  - [   0.0001227000000000, -0.0001639500000000,  0.0000590500000000 ]  - [   0.0008599800000000, -0.0006635800000000,  0.0014721000000000 ]  - [   0.0001039900000000,  0.0001299600000000, -0.0001901800000000 ]  - [  -0.0002014700000000, -0.0004531200000000, -0.0000889700000000 ]  - [   0.0000871200000000, -0.0001648700000000, -0.0002668000000000 ]  - [   0.0000516200000000, -0.0001464000000000, -0.0000766100000000 ]  - [  -0.0003682500000000, -0.0001638800000000,  0.0000531200000000 ]  - [   0.0001581900000000, -0.0000177600000000, -0.0000871200000000 ]  - [  -0.0003281400000000,  0.0000889900000000, -0.0001220000000000 ]  - [  -0.0002094000000000,  0.0000549200000000,  0.0001025300000000 ]  - [   0.0001536300000000, -0.0000277000000000,  0.0001270900000000 ]  - [  -0.0000003400000000, -0.0002798600000000,  0.0008765200000000 ]  - [  -0.0000381100000000, -0.0000768600000000,  0.0003427200000000 ]  - [   0.0003181500000000,  0.0000248100000000, -0.0001519400000000 ]  - [  -0.0017280600000000,  0.0016082800000000,  0.0005474100000000 ]  - [   0.0076756600000000,  0.0081637400000000, -0.0006547500000000 ]  - [  -0.0000414100000000,  0.0000057500000000, -0.0001213400000000 ]  - [  -0.0003047500000000, -0.0030452100000000,  0.0015181400000000 ]  - [  -0.0000542200000000, -0.0001555600000000, -0.0002764800000000 ]  - [   0.0001505000000000,  0.0000931900000000,  0.0004635400000000 ]  - [   0.0001366200000000,  0.0001469500000000,  0.0003365200000000 ]  - [   0.0000695000000000,  0.0000349300000000,  0.0006910100000000 ]  - [  -0.0001040200000000, -0.0000079500000000,  0.0003877200000000 ]  - [  -0.0004655800000000,  0.0002845900000000, -0.0003837200000000 ]  - [   0.0004094100000000, -0.0011435600000000, -0.0003943800000000 ]  - [  -0.0005439800000000,  0.0002560900000000, -0.0001311700000000 ]  - [   0.0004912400000000,  0.0004520500000000, -0.0001303200000000 ]  - [   0.0002568500000000, -0.0000452600000000, -0.0002280900000000 ]  - [  -0.0001648000000000, -0.0002007000000000, -0.0002273800000000 ]  - [   0.0000305300000000,  0.0013607300000000, -0.0017291900000000 ]  - [  -0.0001106800000000, -0.0000239600000000,  0.0000417800000000 ]  - [  -0.0006549100000000, -0.0002203000000000,  0.0002899700000000 ]  - [   0.0002596000000000,  0.0000803000000000, -0.0000947800000000 ]  - [  -0.0000339600000000,  0.0000976400000000,  0.0012342900000000 ]  - [   0.0000456300000000,  0.0000274100000000,  0.0000626000000000 ]  - [  -0.0000728000000000, -0.0000710700000000,  0.0003276000000000 ]  - [   0.0000479600000000, -0.0000663200000000,  0.0002837400000000 ]  - [   0.0019824000000000, -0.0030350900000000,  0.0045899100000000 ]  - [  -0.0000950300000000,  0.0000078200000000, -0.0002756200000000 ]  - [  -0.0001294700000000, -0.0000023300000000, -0.0001967500000000 ]  - [  -0.0016760900000000, -0.0021435600000000,  0.0012370500000000 ]  - [   0.0009077400000000, -0.0003066100000000,  0.0015971600000000 ]  - [  -0.0004778900000000,  0.0000182900000000, -0.0000074600000000 ]  - [   0.0000019000000000,  0.0001287700000000,  0.0004779000000000 ]  - [   0.0001059500000000,  0.0001049800000000,  0.0004775400000000 ]  - [  -0.0001248900000000, -0.0000432200000000,  0.0005367900000000 ]  - [  -0.0001228200000000,  0.0000985000000000,  0.0002887000000000 ]- atom:   49  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0003925500000000, -0.0004047600000000, -0.0001303200000000 ]  - [  -0.0002865400000000, -0.0002350900000000, -0.0009322900000000 ]  - [   0.0000902400000000,  0.0000013400000000,  0.0006809000000000 ]  - [   0.0000650900000000,  0.0003988600000000,  0.0000297400000000 ]  - [  -0.0001172700000000, -0.0007887400000000,  0.0001556700000000 ]  - [  -0.0000837200000000, -0.0004121100000000,  0.0000902000000000 ]  - [   0.0001901800000000,  0.0002773900000000,  0.0001467300000000 ]  - [  -0.0000012700000000,  0.0003731100000000,  0.0002020500000000 ]  - [   0.0011354600000000, -0.0017333400000000, -0.0014575500000000 ]  - [   0.0000998600000000, -0.0004664500000000, -0.0001084700000000 ]  - [  -0.0002717600000000,  0.0003844200000000, -0.0000002700000000 ]  - [  -0.0000764800000000,  0.0005352700000000, -0.0013118700000000 ]  - [   0.0001941800000000, -0.0002079000000000,  0.0001188200000000 ]  - [  -0.0003592300000000, -0.0007298000000000,  0.0002672700000000 ]  - [   0.0001987400000000,  0.0004165900000000,  0.0004678500000000 ]  - [  -0.0000243000000000,  0.0003908900000000,  0.0000815000000000 ]  - [   0.0002651900000000,  0.0001268100000000,  0.0003495000000000 ]  - [  -0.0000370700000000, -0.0000063200000000,  0.0001636700000000 ]  - [   0.0026687500000000,  0.0078648400000000, -0.0415852600000000 ]  - [  -0.0000612800000000,  0.0000655000000000, -0.0001466700000000 ]  - [  -0.0000540300000000,  0.0003845800000000, -0.0004297300000000 ]  - [   0.0000246600000000,  0.0001941600000000, -0.0001881500000000 ]  - [   0.0003538500000000, -0.0006922600000000,  0.0010361100000000 ]  - [  -0.0001153900000000,  0.0000253000000000,  0.0001467900000000 ]  - [  -0.0000816000000000, -0.0001352800000000,  0.0004508000000000 ]  - [   0.0000984500000000,  0.0000171100000000,  0.0002430000000000 ]  - [   0.0020451700000000,  0.0012111300000000, -0.0007318500000000 ]  - [  -0.0006686300000000,  0.0004423000000000, -0.0004011200000000 ]  - [   0.0010815900000000,  0.0006291200000000, -0.0005897800000000 ]  - [  -0.0003590500000000,  0.0001801800000000, -0.0002888000000000 ]  - [  -0.0002156100000000,  0.0001242000000000,  0.0003909800000000 ]  - [   0.0000696200000000, -0.0000118100000000,  0.0002349200000000 ]  - [   0.0000066400000000, -0.0008062800000000,  0.0000560900000000 ]  - [  -0.0000203000000000, -0.0006890700000000, -0.0003134800000000 ]  - [   0.0030919000000000,  0.0072634400000000, -0.0148145500000000 ]  - [   0.0000463300000000,  0.0004853000000000, -0.0005197300000000 ]  - [   0.0000582300000000,  0.0004388500000000,  0.0004379800000000 ]  - [  -0.0006835700000000,  0.0005335100000000,  0.0010921900000000 ]  - [  -0.0003449200000000, -0.0004446500000000,  0.0003913800000000 ]  - [   0.0001756800000000, -0.0004488000000000,  0.0005624800000000 ]  - [  -0.0000886800000000, -0.0006955700000000, -0.0002461700000000 ]  - [   0.0001579200000000, -0.0005430900000000, -0.0001695200000000 ]  - [  -0.0005391900000000,  0.0001907400000000, -0.0003412000000000 ]  - [  -0.0000941200000000,  0.0001792400000000, -0.0005090900000000 ]  - [  -0.0011857600000000,  0.0007366600000000,  0.0029088800000000 ]  - [  -0.0001726400000000,  0.0005939300000000,  0.0002738500000000 ]  - [  -0.0000549800000000, -0.0015511100000000,  0.0009939700000000 ]  - [   0.0001232900000000, -0.0004879000000000,  0.0004080800000000 ]  - [   0.0007945300000000, -0.0125168700000000,  0.0660399800000000 ]  - [   0.0000882900000000, -0.0001116000000000,  0.0003859500000000 ]  - [  -0.0006389100000000,  0.0009120100000000, -0.0018678300000000 ]  - [   0.0001019500000000,  0.0001484000000000, -0.0002551500000000 ]  - [   0.0004111900000000,  0.0001732100000000, -0.0003522100000000 ]  - [   0.0001199900000000, -0.0001148800000000, -0.0001771000000000 ]  - [  -0.0002588600000000, -0.0001297800000000,  0.0005157600000000 ]  - [   0.0001608700000000, -0.0001147800000000,  0.0003911500000000 ]  - [  -0.0003673600000000,  0.0002985300000000, -0.0003587800000000 ]  - [   0.0001186700000000,  0.0001868900000000, -0.0003251500000000 ]  - [   0.0002090700000000, -0.0001051000000000, -0.0002623200000000 ]  - [  -0.0001504800000000, -0.0000258300000000, -0.0002908500000000 ]  - [  -0.0000025700000000,  0.0002263900000000, -0.0007098800000000 ]  - [   0.0000377000000000,  0.0000263500000000, -0.0001828000000000 ]  - [  -0.0003201000000000,  0.0000252800000000, -0.0000087400000000 ]  - [   0.0017374000000000, -0.0015688500000000, -0.0006967300000000 ]  - [  -0.0077365200000000, -0.0081818100000000,  0.0007539900000000 ]  - [   0.0000426100000000,  0.0000437900000000,  0.0002781700000000 ]  - [   0.0001147800000000,  0.0027638600000000, -0.0020819800000000 ]  - [  -0.0001548300000000, -0.0001225600000000, -0.0001690600000000 ]  - [   0.0000585400000000,  0.0001851300000000, -0.0000165100000000 ]  - [   0.0000706500000000,  0.0001309700000000,  0.0001098200000000 ]  - [  -0.0002739000000000,  0.0002417600000000, -0.0002436000000000 ]  - [  -0.0001063400000000,  0.0002849200000000,  0.0000567000000000 ]  - [   0.0006743500000000, -0.0005617400000000,  0.0008318800000000 ]  - [  -0.0002051700000000,  0.0008571800000000,  0.0008212800000000 ]  - [   0.0007549800000000,  0.0000215900000000, -0.0003177400000000 ]  - [  -0.0002820300000000, -0.0001745600000000, -0.0003170500000000 ]  - [  -0.0000493300000000, -0.0002322400000000, -0.0002152000000000 ]  - [   0.0003739500000000, -0.0000765900000000, -0.0002143400000000 ]  - [  -0.0002077300000000, -0.0016702600000000,  0.0021800300000000 ]  - [  -0.0000996700000000, -0.0002512000000000,  0.0004003800000000 ]  - [   0.0004409600000000,  0.0004877400000000, -0.0007412900000000 ]  - [  -0.0004668900000000,  0.0001969100000000, -0.0003541000000000 ]  - [   0.0000327400000000, -0.0001464800000000, -0.0013680400000000 ]  - [  -0.0000455600000000, -0.0000783000000000, -0.0002259700000000 ]  - [   0.0000708600000000,  0.0000210500000000, -0.0001682600000000 ]  - [  -0.0000460800000000,  0.0000179200000000, -0.0001266400000000 ]  - [  -0.0020201000000000,  0.0031348200000000, -0.0047653800000000 ]  - [   0.0000924700000000,  0.0000422900000000,  0.0001152300000000 ]  - [   0.0001326100000000,  0.0000507900000000,  0.0003566600000000 ]  - [   0.0016578400000000,  0.0021782200000000, -0.0011060300000000 ]  - [  -0.0011220600000000,  0.0000278300000000, -0.0020513300000000 ]  - [   0.0002673200000000, -0.0002967800000000, -0.0004351700000000 ]  - [   0.0002044300000000,  0.0001482700000000, -0.0000315100000000 ]  - [   0.0001041200000000,  0.0001717100000000, -0.0000315400000000 ]  - [  -0.0000855500000000,  0.0003216300000000, -0.0000897000000000 ]  - [  -0.0000839400000000,  0.0001803800000000,  0.0001554400000000 ]- atom:   59  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0005847500000000, -0.0003996000000000, -0.0000405700000000 ]  - [  -0.0003692800000000, -0.0004001000000000, -0.0000398200000000 ]  - [  -0.0004072300000000,  0.0005828700000000,  0.0003342000000000 ]  - [  -0.0004086700000000,  0.0002197000000000, -0.0002561500000000 ]  - [  -0.0000723200000000, -0.0004223000000000, -0.0000757400000000 ]  - [  -0.0000728400000000, -0.0003786600000000,  0.0001560500000000 ]  - [  -0.0001083300000000,  0.0003974300000000, -0.0000579600000000 ]  - [  -0.0004280800000000,  0.0004002800000000, -0.0000398600000000 ]  - [  -0.0004445700000000, -0.0004004500000000,  0.0003736900000000 ]  - [  -0.0004428200000000, -0.0004014500000000, -0.0004498700000000 ]  - [   0.0018690400000000,  0.0004012500000000,  0.0000380400000000 ]  - [  -0.0005679400000000,  0.0004009500000000,  0.0000388700000000 ]  - [   0.0004249100000000, -0.0003978300000000,  0.0000415600000000 ]  - [  -0.0002997800000000, -0.0004001900000000,  0.0000392800000000 ]  - [  -0.0002447200000000,  0.0005930600000000, -0.0001858900000000 ]  - [  -0.0002464000000000,  0.0002109400000000,  0.0001078600000000 ]  - [  -0.0005566700000000,  0.0000855700000000,  0.0001186800000000 ]  - [   0.0004512000000000, -0.0005695500000000,  0.0003414000000000 ]  - [  -0.0001894200000000, -0.0000582700000000,  0.0001256500000000 ]  - [   0.0002058000000000,  0.0001960900000000, -0.0001250800000000 ]  - [  -0.0001676000000000, -0.0000263300000000,  0.0000099200000000 ]  - [   0.0001507700000000,  0.0001772400000000, -0.0000262800000000 ]  - [  -0.0010022600000000, -0.0005697200000000, -0.0000163700000000 ]  - [   0.0115629500000000, -0.0090108500000000,  0.0012184500000000 ]  - [   0.0120248300000000,  0.0095002600000000, -0.0011688600000000 ]  - [  -0.0010005600000000,  0.0004788500000000,  0.0000181200000000 ]  - [   0.0001512800000000, -0.0000950200000000,  0.0000253800000000 ]  - [  -0.0001660500000000,  0.0001108800000000, -0.0000101400000000 ]  - [   0.0002058200000000, -0.0001117000000000,  0.0001245500000000 ]  - [  -0.0001876200000000,  0.0001431800000000, -0.0001264700000000 ]  - [   0.0004623900000000,  0.0004691800000000, -0.0003338700000000 ]  - [  -0.0005590600000000, -0.0001652700000000, -0.0001181700000000 ]  - [  -0.0000215400000000, -0.0001803700000000, -0.0016517400000000 ]  - [  -0.0000257700000000, -0.0010122000000000,  0.0008228200000000 ]  - [   0.0000569000000000,  0.0005821200000000, -0.0002056400000000 ]  - [   0.0000569000000000,  0.0006146500000000, -0.0006177500000000 ]  - [   0.0002620800000000,  0.0006073500000000,  0.0004174600000000 ]  - [  -0.0001893100000000,  0.0006136600000000,  0.0004239900000000 ]  - [   0.0103408400000000, -0.0005584800000000,  0.0005703800000000 ]  - [  -0.0006291900000000, -0.0005973200000000,  0.0004124000000000 ]  - [   0.0013295100000000, -0.0006242600000000, -0.0004329000000000 ]  - [  -0.0005415400000000, -0.0006204200000000, -0.0004340400000000 ]  - [   0.0004887700000000,  0.0005990100000000, -0.0004115000000000 ]  - [  -0.0003332400000000,  0.0006075600000000, -0.0004235500000000 ]  - [  -0.0000412800000000,  0.0004454900000000,  0.0002611000000000 ]  - [  -0.0000382700000000,  0.0007544100000000,  0.0005644800000000 ]  - [  -0.0010734400000000,  0.0007146800000000, -0.0013675000000000 ]  - [  -0.0010757500000000, -0.0019014500000000,  0.0021746100000000 ]  - [   0.0004138600000000, -0.0003570800000000,  0.0000135700000000 ]  - [  -0.0001794200000000, -0.0002449600000000,  0.0003748600000000 ]  - [   0.0007803700000000, -0.0004175400000000, -0.0000898800000000 ]  - [   0.0036044400000000, -0.0032155600000000,  0.0014304800000000 ]  - [   0.0002938900000000, -0.0000946900000000, -0.0001493300000000 ]  - [  -0.0000741200000000, -0.0001299500000000, -0.0002660800000000 ]  - [   0.0003564900000000, -0.0000355100000000,  0.0001758400000000 ]  - [  -0.0004772900000000, -0.0001772600000000,  0.0002541600000000 ]  - [   0.0005121200000000,  0.0003074300000000, -0.0002633200000000 ]  - [   0.0013623800000000,  0.0042939400000000,  0.0074502600000000 ]  - [  -0.0552387500000000, -0.0006125900000000, -0.0001858600000000 ]  - [   0.0008141200000000, -0.0000247900000000, -0.0000720900000000 ]  - [   0.0044788400000000,  0.0000253400000000,  0.0013891300000000 ]  - [   0.0043943900000000, -0.0000930900000000, -0.0012249300000000 ]  - [  -0.0002758000000000,  0.0000253100000000, -0.0000705100000000 ]  - [   0.0002107500000000,  0.0000243700000000, -0.0000692600000000 ]  - [   0.0000066900000000,  0.0000067000000000, -0.0001068200000000 ]  - [   0.0000047900000000,  0.0000437800000000,  0.0002584000000000 ]  - [   0.0001391500000000, -0.0001443600000000, -0.0002596900000000 ]  - [  -0.0003223000000000, -0.0001439400000000, -0.0002207800000000 ]  - [   0.0006028400000000, -0.0002678800000000,  0.0005424000000000 ]  - [   0.0009865700000000,  0.0006273900000000, -0.0014988300000000 ]  - [   0.0005063800000000,  0.0002907800000000,  0.0003144300000000 ]  - [   0.0001883600000000, -0.0019505000000000, -0.0017773500000000 ]  - [  -0.0002595600000000, -0.0000929700000000,  0.0001884700000000 ]  - [   0.0005608800000000, -0.0002460000000000,  0.0002671300000000 ]  - [   0.0015574400000000, -0.0040556300000000, -0.0079604900000000 ]  - [   0.0007272200000000, -0.0000346100000000, -0.0001786700000000 ]  - [  -0.0001073500000000, -0.0001310300000000, -0.0002221500000000 ]  - [   0.0003551700000000, -0.0001276700000000, -0.0001831000000000 ]  - [  -0.0003879800000000, -0.0000337400000000,  0.0000697000000000 ]  - [   0.0002050300000000,  0.0000797000000000,  0.0004308000000000 ]  - [   0.0034187300000000,  0.0035305000000000, -0.0019035300000000 ]  - [   0.0005744100000000,  0.0006957300000000, -0.0003532300000000 ]  - [  -0.0002566400000000, -0.0002013400000000,  0.0001134500000000 ]  - [  -0.0002489800000000,  0.0001445400000000, -0.0002608300000000 ]  - [  -0.0004465900000000, -0.0000209300000000,  0.0000678600000000 ]  - [   0.0003551900000000, -0.0000263400000000,  0.0000789900000000 ]  - [   0.0000063900000000,  0.0000172400000000, -0.0000228800000000 ]  - [   0.0000040600000000,  0.0000326900000000, -0.0001272900000000 ]  - [  -0.0002041600000000,  0.0000241000000000,  0.0000674000000000 ]  - [   0.0002368800000000,  0.0000262300000000,  0.0000784700000000 ]  - [  -0.0002784500000000, -0.0001507500000000, -0.0001728300000000 ]  - [   0.0000860900000000, -0.0001839700000000, -0.0002935400000000 ]  - [   0.0004120600000000,  0.0022351700000000,  0.0022263100000000 ]  - [   0.0007095600000000, -0.0000068100000000,  0.0001284500000000 ]  - [   0.0007837200000000, -0.0003536500000000,  0.0019661900000000 ]  - [   0.0003908900000000,  0.0005393300000000, -0.0000967000000000 ]- atom:   59  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000, -0.0005929300000000,  0.0000667100000000 ]  - [   0.0000000000000000, -0.0003622000000000,  0.0000392300000000 ]  - [   0.0002748200000000,  0.0011998200000000,  0.0000604800000000 ]  - [  -0.0002748200000000,  0.0011998200000000,  0.0000604800000000 ]  - [  -0.0001887300000000, -0.0002735100000000, -0.0000171100000000 ]  - [   0.0001887300000000, -0.0002735100000000, -0.0000171100000000 ]  - [   0.0000000000000000,  0.0000303100000000, -0.0004610500000000 ]  - [   0.0000000000000000,  0.0004325400000000, -0.0000485900000000 ]  - [   0.0006718100000000, -0.0008137300000000, -0.0002950900000000 ]  - [  -0.0006718100000000, -0.0008137300000000, -0.0002950900000000 ]  - [   0.0000000000000000, -0.0013665700000000, -0.0000796500000000 ]  - [   0.0000000000000000,  0.0003767100000000,  0.0001191500000000 ]  - [   0.0000000000000000, -0.0002987300000000, -0.0001103900000000 ]  - [   0.0000000000000000, -0.0004067400000000,  0.0000021500000000 ]  - [  -0.0001789600000000, -0.0000615100000000, -0.0001391300000000 ]  - [   0.0001789600000000, -0.0000615100000000, -0.0001391300000000 ]  - [  -0.0001116600000000, -0.0002146300000000, -0.0000120900000000 ]  - [  -0.0006309800000000, -0.0010762600000000,  0.0009109900000000 ]  - [   0.0000054100000000,  0.0000347000000000, -0.0000913500000000 ]  - [   0.0000019100000000, -0.0001367700000000, -0.0001840700000000 ]  - [  -0.0000136700000000,  0.0000311000000000, -0.0001015800000000 ]  - [  -0.0000004800000000,  0.0001671400000000, -0.0001938300000000 ]  - [   0.0000917900000000,  0.0000639200000000, -0.0000157800000000 ]  - [  -0.0106155800000000,  0.0089718000000000, -0.0002230200000000 ]  - [   0.0106155800000000,  0.0089718000000000, -0.0002230200000000 ]  - [  -0.0000917900000000,  0.0000639200000000, -0.0000157800000000 ]  - [   0.0000004800000000,  0.0001671400000000, -0.0001938300000000 ]  - [   0.0000136700000000,  0.0000311000000000, -0.0001015800000000 ]  - [  -0.0000019100000000, -0.0001367700000000, -0.0001840700000000 ]  - [  -0.0000054100000000,  0.0000347000000000, -0.0000913500000000 ]  - [   0.0006309800000000, -0.0010762600000000,  0.0009109900000000 ]  - [   0.0001116600000000, -0.0002146300000000, -0.0000120900000000 ]  - [   0.0004988000000000, -0.0003807500000000, -0.0007019700000000 ]  - [  -0.0004988000000000, -0.0003807500000000, -0.0007019700000000 ]  - [  -0.0001243500000000,  0.0004065700000000, -0.0003177800000000 ]  - [   0.0001243500000000,  0.0004065700000000, -0.0003177800000000 ]  - [   0.0000000000000000,  0.0006715000000000,  0.0001088600000000 ]  - [   0.0000000000000000,  0.0006233500000000,  0.0003666300000000 ]  - [   0.0000000000000000,  0.0066667000000000,  0.0062033300000000 ]  - [   0.0000000000000000, -0.0005517300000000,  0.0003940200000000 ]  - [   0.0000000000000000, -0.0014343100000000,  0.0007143100000000 ]  - [   0.0000000000000000, -0.0006648200000000, -0.0004618800000000 ]  - [   0.0000000000000000,  0.0008613700000000, -0.0008261400000000 ]  - [   0.0000000000000000,  0.0004816200000000, -0.0004075100000000 ]  - [  -0.0000335800000000,  0.0008211400000000,  0.0005172700000000 ]  - [   0.0000335800000000,  0.0008211400000000,  0.0005172700000000 ]  - [  -0.0006836500000000, -0.0000608000000000, -0.0010324200000000 ]  - [   0.0006836500000000, -0.0000608000000000, -0.0010324200000000 ]  - [   0.0000020600000000,  0.0002766400000000,  0.0002977800000000 ]  - [   0.0001867800000000,  0.0000216300000000,  0.0002171300000000 ]  - [   0.0001563900000000, -0.0002663600000000, -0.0002419300000000 ]  - [  -0.0036678100000000,  0.0031454600000000, -0.0023971700000000 ]  - [   0.0001785200000000, -0.0002077200000000, -0.0001711800000000 ]  - [  -0.0000595500000000, -0.0003272400000000, -0.0001736700000000 ]  - [  -0.0002271500000000, -0.0001903800000000,  0.0002697100000000 ]  - [   0.0000121200000000, -0.0002525100000000,  0.0003396400000000 ]  - [  -0.0000312700000000,  0.0001842700000000, -0.0002358900000000 ]  - [   0.0047677700000000,  0.0049908400000000,  0.0078969900000000 ]  - [   0.0000000000000000, -0.0438309200000000, -0.0188932800000000 ]  - [   0.0000000000000000, -0.0000644300000000, -0.0001204200000000 ]  - [  -0.0000655200000000,  0.0002151100000000,  0.0003343500000000 ]  - [   0.0000655200000000,  0.0002151100000000,  0.0003343500000000 ]  - [   0.0000000000000000, -0.0001500700000000,  0.0003540900000000 ]  - [   0.0000000000000000,  0.0000144900000000, -0.0000033000000000 ]  - [  -0.0000180600000000,  0.0000407500000000,  0.0000922600000000 ]  - [   0.0000180600000000,  0.0000407500000000,  0.0000922600000000 ]  - [  -0.0000933800000000, -0.0001017900000000, -0.0001656800000000 ]  - [  -0.0002009700000000, -0.0000510800000000,  0.0000368900000000 ]  - [   0.0000462500000000,  0.0003699000000000,  0.0002148700000000 ]  - [   0.0012538000000000,  0.0002419900000000, -0.0013620100000000 ]  - [  -0.0000831400000000,  0.0001154700000000,  0.0002335100000000 ]  - [  -0.0013746500000000,  0.0024852000000000,  0.0033230400000000 ]  - [  -0.0000121200000000, -0.0002525100000000,  0.0003396400000000 ]  - [   0.0002271500000000, -0.0001903800000000,  0.0002697100000000 ]  - [  -0.0047677700000000,  0.0049908400000000,  0.0078969900000000 ]  - [   0.0000312700000000,  0.0001842700000000, -0.0002358900000000 ]  - [   0.0002009700000000, -0.0000510800000000,  0.0000368900000000 ]  - [   0.0000933800000000, -0.0001017900000000, -0.0001656800000000 ]  - [  -0.0001867800000000,  0.0000216300000000,  0.0002171300000000 ]  - [  -0.0000020600000000,  0.0002766400000000,  0.0002977800000000 ]  - [   0.0036678100000000,  0.0031454600000000, -0.0023971700000000 ]  - [  -0.0001563900000000, -0.0002663600000000, -0.0002419300000000 ]  - [   0.0001671400000000, -0.0005288000000000,  0.0002465800000000 ]  - [  -0.0001671400000000, -0.0005288000000000,  0.0002465800000000 ]  - [   0.0000000000000000,  0.0016877600000000, -0.0014862300000000 ]  - [   0.0000000000000000,  0.0000071000000000,  0.0000793100000000 ]  - [  -0.0000064200000000, -0.0000219400000000, -0.0000172600000000 ]  - [   0.0000064200000000, -0.0000219400000000, -0.0000172600000000 ]  - [   0.0000000000000000,  0.0001509300000000,  0.0005117200000000 ]  - [   0.0000000000000000,  0.0000837100000000,  0.0001359400000000 ]  - [   0.0000595500000000, -0.0003272400000000, -0.0001736700000000 ]  - [  -0.0001785200000000, -0.0002077200000000, -0.0001711800000000 ]  - [   0.0013746500000000,  0.0024852000000000,  0.0033230400000000 ]  - [   0.0000831400000000,  0.0001154700000000,  0.0002335100000000 ]  - [  -0.0012538000000000,  0.0002419900000000, -0.0013620100000000 ]  - [  -0.0000462500000000,  0.0003699000000000,  0.0002148700000000 ]- atom:   59  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000, -0.0002057700000000, -0.0001583500000000 ]  - [   0.0000000000000000, -0.0004430600000000, -0.0001217600000000 ]  - [  -0.0002765400000000, -0.0003964400000000,  0.0000192200000000 ]  - [   0.0002765400000000, -0.0003964400000000,  0.0000192200000000 ]  - [   0.0001863600000000, -0.0005311200000000,  0.0001013400000000 ]  - [  -0.0001863600000000, -0.0005311200000000,  0.0001013400000000 ]  - [   0.0000000000000000,  0.0007795700000000,  0.0003398200000000 ]  - [   0.0000000000000000,  0.0003736100000000, -0.0000331500000000 ]  - [  -0.0006792400000000,  0.0000101500000000,  0.0002178400000000 ]  - [   0.0006792400000000,  0.0000101500000000,  0.0002178400000000 ]  - [   0.0000000000000000,  0.0021780400000000,  0.0001590100000000 ]  - [   0.0000000000000000,  0.0004288700000000, -0.0000392600000000 ]  - [   0.0000000000000000, -0.0005028100000000,  0.0001969400000000 ]  - [   0.0000000000000000, -0.0003984700000000,  0.0000823800000000 ]  - [   0.0001772800000000,  0.0008662600000000,  0.0000584800000000 ]  - [  -0.0001772800000000,  0.0008662600000000,  0.0000584800000000 ]  - [   0.0001148800000000,  0.0001335400000000,  0.0000111500000000 ]  - [   0.0006290000000000,  0.0009693600000000, -0.0009030700000000 ]  - [  -0.0000071600000000,  0.0000503100000000,  0.0000919600000000 ]  - [  -0.0000004200000000,  0.0002186100000000,  0.0001831200000000 ]  - [   0.0000120900000000,  0.0000525400000000,  0.0001020500000000 ]  - [   0.0000008400000000, -0.0000853500000000,  0.0001926800000000 ]  - [  -0.0000870700000000, -0.0001425000000000,  0.0000148500000000 ]  - [   0.0101768500000000, -0.0088400700000000,  0.0002752000000000 ]  - [  -0.0101768500000000, -0.0088400700000000,  0.0002752000000000 ]  - [   0.0000870700000000, -0.0001425000000000,  0.0000148500000000 ]  - [  -0.0000008400000000, -0.0000853500000000,  0.0001926800000000 ]  - [  -0.0000120900000000,  0.0000525400000000,  0.0001020500000000 ]  - [   0.0000004200000000,  0.0002186100000000,  0.0001831200000000 ]  - [   0.0000071600000000,  0.0000503100000000,  0.0000919600000000 ]  - [  -0.0006290000000000,  0.0009693600000000, -0.0009030700000000 ]  - [  -0.0001148800000000,  0.0001335400000000,  0.0000111500000000 ]  - [  -0.0005046400000000, -0.0008276800000000, -0.0001096400000000 ]  - [   0.0005046400000000, -0.0008276800000000, -0.0001096400000000 ]  - [   0.0001242900000000,  0.0007970300000000, -0.0005110300000000 ]  - [  -0.0001242900000000,  0.0007970300000000, -0.0005110300000000 ]  - [   0.0000000000000000,  0.0005309100000000,  0.0007185500000000 ]  - [   0.0000000000000000,  0.0005832800000000,  0.0004633700000000 ]  - [   0.0000000000000000, -0.0078366800000000, -0.0053205300000000 ]  - [   0.0000000000000000, -0.0006513000000000,  0.0004325600000000 ]  - [   0.0000000000000000,  0.0002276300000000, -0.0015494300000000 ]  - [   0.0000000000000000, -0.0005430200000000, -0.0003671900000000 ]  - [   0.0000000000000000,  0.0003391600000000, -0.0000000900000000 ]  - [   0.0000000000000000,  0.0007244900000000, -0.0004238700000000 ]  - [   0.0000307200000000,  0.0003819600000000,  0.0003092100000000 ]  - [  -0.0000307200000000,  0.0003819600000000,  0.0003092100000000 ]  - [   0.0006852200000000, -0.0011416800000000,  0.0018416000000000 ]  - [  -0.0006852200000000, -0.0011416800000000,  0.0018416000000000 ]  - [   0.0002075900000000, -0.0005550500000000,  0.0001439400000000 ]  - [   0.0000217300000000, -0.0002991300000000,  0.0002256400000000 ]  - [   0.0000511700000000,  0.0005429800000000, -0.0001957900000000 ]  - [   0.0038505500000000, -0.0028498000000000,  0.0019187400000000 ]  - [   0.0000304500000000, -0.0000688800000000, -0.0002701400000000 ]  - [   0.0002642900000000,  0.0000505100000000, -0.0002645200000000 ]  - [   0.0000214000000000, -0.0000856400000000,  0.0001714000000000 ]  - [  -0.0002200300000000, -0.0000226000000000,  0.0001019100000000 ]  - [  -0.0001783100000000,  0.0000923000000000, -0.0002026700000000 ]  - [  -0.0050256800000000, -0.0047249700000000, -0.0084547400000000 ]  - [   0.0000000000000000,  0.0432214300000000,  0.0187959400000000 ]  - [   0.0000000000000000,  0.0000203300000000, -0.0000405800000000 ]  - [   0.0000524100000000, -0.0002476900000000, -0.0001844000000000 ]  - [  -0.0000524100000000, -0.0002476900000000, -0.0001844000000000 ]  - [   0.0000000000000000,  0.0001985600000000, -0.0005146100000000 ]  - [   0.0000000000000000,  0.0000318800000000, -0.0001602400000000 ]  - [   0.0000198400000000,  0.0000057600000000,  0.0000715400000000 ]  - [  -0.0000198400000000,  0.0000057600000000,  0.0000715400000000 ]  - [  -0.0001146700000000, -0.0001729500000000, -0.0002757400000000 ]  - [  -0.0000083700000000, -0.0002254400000000, -0.0004760300000000 ]  - [   0.0001584300000000, -0.0000889800000000,  0.0002204500000000 ]  - [  -0.0010564500000000,  0.0000417800000000,  0.0018210500000000 ]  - [  -0.0001248500000000,  0.0001622600000000,  0.0002056300000000 ]  - [   0.0011599800000000, -0.0021855500000000, -0.0028404200000000 ]  - [   0.0002200300000000, -0.0000226000000000,  0.0001019100000000 ]  - [  -0.0000214000000000, -0.0000856400000000,  0.0001714000000000 ]  - [   0.0050256800000000, -0.0047249700000000, -0.0084547400000000 ]  - [   0.0001783100000000,  0.0000923000000000, -0.0002026700000000 ]  - [   0.0000083700000000, -0.0002254400000000, -0.0004760300000000 ]  - [   0.0001146700000000, -0.0001729500000000, -0.0002757400000000 ]  - [  -0.0000217300000000, -0.0002991300000000,  0.0002256400000000 ]  - [  -0.0002075900000000, -0.0005550500000000,  0.0001439400000000 ]  - [  -0.0038505500000000, -0.0028498000000000,  0.0019187400000000 ]  - [  -0.0000511700000000,  0.0005429800000000, -0.0001957900000000 ]  - [  -0.0001787900000000,  0.0004885000000000, -0.0004047800000000 ]  - [   0.0001787900000000,  0.0004885000000000, -0.0004047800000000 ]  - [   0.0000000000000000, -0.0017398700000000,  0.0016558700000000 ]  - [   0.0000000000000000, -0.0000529600000000,  0.0000860500000000 ]  - [   0.0000093400000000,  0.0000669400000000, -0.0001466100000000 ]  - [  -0.0000093400000000,  0.0000669400000000, -0.0001466100000000 ]  - [   0.0000000000000000, -0.0001046200000000, -0.0003492200000000 ]  - [   0.0000000000000000, -0.0000377600000000,  0.0000289500000000 ]  - [  -0.0002642900000000,  0.0000505100000000, -0.0002645200000000 ]  - [  -0.0000304500000000, -0.0000688800000000, -0.0002701400000000 ]  - [  -0.0011599800000000, -0.0021855500000000, -0.0028404200000000 ]  - [   0.0001248500000000,  0.0001622600000000,  0.0002056300000000 ]  - [   0.0010564500000000,  0.0000417800000000,  0.0018210500000000 ]  - [  -0.0001584300000000, -0.0000889800000000,  0.0002204500000000 ]- atom:   59  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0014269400000000, -0.0009278200000000 ]  - [   0.0000000000000000, -0.0004306200000000, -0.0000184100000000 ]  - [   0.0005310400000000,  0.0007918600000000,  0.0002769300000000 ]  - [  -0.0005310400000000,  0.0007918600000000,  0.0002769300000000 ]  - [  -0.0003758400000000, -0.0001618800000000, -0.0003371200000000 ]  - [   0.0003758400000000, -0.0001618800000000, -0.0003371200000000 ]  - [   0.0000000000000000,  0.0007960000000000, -0.0013672500000000 ]  - [   0.0000000000000000,  0.0002927800000000, -0.0000962400000000 ]  - [   0.0005657700000000, -0.0005955900000000, -0.0003399600000000 ]  - [  -0.0005657700000000, -0.0005955900000000, -0.0003399600000000 ]  - [   0.0000000000000000, -0.0009377700000000,  0.0000816100000000 ]  - [   0.0000000000000000,  0.0004965900000000,  0.0001392900000000 ]  - [   0.0000000000000000, -0.0002636200000000, -0.0005037200000000 ]  - [   0.0000000000000000, -0.0003358300000000, -0.0001308400000000 ]  - [  -0.0007499300000000,  0.0000713800000000, -0.0000071400000000 ]  - [   0.0007499300000000,  0.0000713800000000, -0.0000071400000000 ]  - [   0.0000435300000000,  0.0001615100000000,  0.0003668500000000 ]  - [   0.0007544500000000, -0.0014528800000000,  0.0027572700000000 ]  - [   0.0000423300000000,  0.0000280400000000, -0.0003102800000000 ]  - [  -0.0001114200000000, -0.0001846700000000, -0.0007253000000000 ]  - [   0.0001008300000000, -0.0000574000000000, -0.0003094600000000 ]  - [  -0.0000338700000000,  0.0004655100000000, -0.0009322700000000 ]  - [  -0.0002609900000000, -0.0004067300000000,  0.0003679100000000 ]  - [   0.0049832400000000, -0.0037352100000000, -0.0017115400000000 ]  - [  -0.0049832400000000, -0.0037352100000000, -0.0017115400000000 ]  - [   0.0002609900000000, -0.0004067300000000,  0.0003679100000000 ]  - [   0.0000338700000000,  0.0004655100000000, -0.0009322700000000 ]  - [  -0.0001008300000000, -0.0000574000000000, -0.0003094600000000 ]  - [   0.0001114200000000, -0.0001846700000000, -0.0007253000000000 ]  - [  -0.0000423300000000,  0.0000280400000000, -0.0003102800000000 ]  - [  -0.0007544500000000, -0.0014528800000000,  0.0027572700000000 ]  - [  -0.0000435300000000,  0.0001615100000000,  0.0003668500000000 ]  - [  -0.0005343300000000, -0.0007384000000000, -0.0006703500000000 ]  - [   0.0005343300000000, -0.0007384000000000, -0.0006703500000000 ]  - [   0.0001195000000000,  0.0003667000000000, -0.0005287400000000 ]  - [  -0.0001195000000000,  0.0003667000000000, -0.0005287400000000 ]  - [   0.0000000000000000,  0.0009406400000000, -0.0004949000000000 ]  - [   0.0000000000000000,  0.0008273200000000,  0.0003437200000000 ]  - [   0.0000000000000000,  0.0082837000000000,  0.0927747500000000 ]  - [   0.0000000000000000, -0.0003985400000000,  0.0006185600000000 ]  - [   0.0000000000000000, -0.0023479900000000,  0.0017545000000000 ]  - [   0.0000000000000000, -0.0007305500000000, -0.0003104300000000 ]  - [   0.0000000000000000, -0.0000543900000000, -0.0016277200000000 ]  - [   0.0000000000000000,  0.0004094200000000, -0.0004680900000000 ]  - [  -0.0001953900000000,  0.0009242200000000,  0.0002486200000000 ]  - [   0.0001953900000000,  0.0009242200000000,  0.0002486200000000 ]  - [   0.0005388600000000, -0.0006966500000000,  0.0007856100000000 ]  - [  -0.0005388600000000, -0.0006966500000000,  0.0007856100000000 ]  - [  -0.0001190400000000,  0.0001412700000000,  0.0004100700000000 ]  - [   0.0005209100000000, -0.0002428600000000,  0.0004369700000000 ]  - [  -0.0001607400000000,  0.0002331500000000, -0.0005023500000000 ]  - [   0.0009201900000000, -0.0007038900000000,  0.0009553100000000 ]  - [   0.0002737800000000, -0.0002493600000000,  0.0000200000000000 ]  - [  -0.0001763500000000, -0.0004474100000000, -0.0000241100000000 ]  - [  -0.0002701600000000, -0.0001280800000000,  0.0003703100000000 ]  - [   0.0002284900000000, -0.0003762100000000,  0.0015226100000000 ]  - [  -0.0001626100000000,  0.0000392200000000, -0.0004283700000000 ]  - [   0.0067692600000000,  0.0070967700000000, -0.0009700900000000 ]  - [   0.0000000000000000, -0.0181571600000000, -0.1028124400000000 ]  - [   0.0000000000000000, -0.0000617900000000, -0.0005057100000000 ]  - [   0.0012964200000000, -0.0002854700000000, -0.0000714200000000 ]  - [  -0.0012964200000000, -0.0002854700000000, -0.0000714200000000 ]  - [   0.0000000000000000, -0.0004099100000000,  0.0007613700000000 ]  - [   0.0000000000000000, -0.0000542200000000,  0.0001370000000000 ]  - [  -0.0001819000000000,  0.0000335900000000,  0.0004486500000000 ]  - [   0.0001819000000000,  0.0000335900000000,  0.0004486500000000 ]  - [  -0.0000573300000000, -0.0001750500000000,  0.0000356200000000 ]  - [  -0.0003576000000000,  0.0000166000000000,  0.0005669800000000 ]  - [   0.0005727900000000,  0.0001029900000000,  0.0001530500000000 ]  - [  -0.0016162200000000, -0.0003388100000000,  0.0008543400000000 ]  - [   0.0000507000000000,  0.0001657600000000,  0.0000303500000000 ]  - [  -0.0012175300000000,  0.0044046400000000,  0.0049078100000000 ]  - [  -0.0002284900000000, -0.0003762100000000,  0.0015226100000000 ]  - [   0.0002701600000000, -0.0001280800000000,  0.0003703100000000 ]  - [  -0.0067692600000000,  0.0070967700000000, -0.0009700900000000 ]  - [   0.0001626100000000,  0.0000392200000000, -0.0004283700000000 ]  - [   0.0003576000000000,  0.0000166000000000,  0.0005669800000000 ]  - [   0.0000573300000000, -0.0001750500000000,  0.0000356200000000 ]  - [  -0.0005209100000000, -0.0002428600000000,  0.0004369700000000 ]  - [   0.0001190400000000,  0.0001412700000000,  0.0004100700000000 ]  - [  -0.0009201900000000, -0.0007038900000000,  0.0009553100000000 ]  - [   0.0001607400000000,  0.0002331500000000, -0.0005023500000000 ]  - [  -0.0001858800000000,  0.0003021200000000, -0.0008030700000000 ]  - [   0.0001858800000000,  0.0003021200000000, -0.0008030700000000 ]  - [   0.0000000000000000,  0.0015449000000000, -0.0029475200000000 ]  - [   0.0000000000000000, -0.0000184400000000, -0.0000606800000000 ]  - [  -0.0000522900000000, -0.0000423500000000,  0.0003654500000000 ]  - [   0.0000522900000000, -0.0000423500000000,  0.0003654500000000 ]  - [   0.0000000000000000,  0.0004534300000000,  0.0009516200000000 ]  - [   0.0000000000000000,  0.0000762700000000,  0.0002910200000000 ]  - [   0.0001763500000000, -0.0004474100000000, -0.0000241100000000 ]  - [  -0.0002737800000000, -0.0002493600000000,  0.0000200000000000 ]  - [   0.0012175300000000,  0.0044046400000000,  0.0049078100000000 ]  - [  -0.0000507000000000,  0.0001657600000000,  0.0000303500000000 ]  - [   0.0016162200000000, -0.0003388100000000,  0.0008543400000000 ]  - [  -0.0005727900000000,  0.0001029900000000,  0.0001530500000000 ]- atom:   59  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000, -0.0022597700000000,  0.0008624000000000 ]  - [   0.0000000000000000, -0.0003747600000000, -0.0000633900000000 ]  - [  -0.0005356800000000,  0.0000043600000000, -0.0001984900000000 ]  - [   0.0005356800000000,  0.0000043600000000, -0.0001984900000000 ]  - [   0.0003740600000000, -0.0006437800000000,  0.0004207000000000 ]  - [  -0.0003740600000000, -0.0006437800000000,  0.0004207000000000 ]  - [   0.0000000000000000,  0.0000063200000000,  0.0012846600000000 ]  - [   0.0000000000000000,  0.0005122200000000,  0.0000151800000000 ]  - [  -0.0005759400000000, -0.0002079000000000,  0.0002639500000000 ]  - [   0.0005759400000000, -0.0002079000000000,  0.0002639500000000 ]  - [   0.0000000000000000,  0.0017742800000000,  0.0000017900000000 ]  - [   0.0000000000000000,  0.0003095000000000, -0.0000593100000000 ]  - [   0.0000000000000000, -0.0005328500000000,  0.0005871100000000 ]  - [   0.0000000000000000, -0.0004691300000000,  0.0002141300000000 ]  - [   0.0007464700000000,  0.0007341400000000, -0.0000723200000000 ]  - [  -0.0007464700000000,  0.0007341400000000, -0.0000723200000000 ]  - [  -0.0000414500000000, -0.0002437300000000, -0.0003671600000000 ]  - [  -0.0007559600000000,  0.0013731600000000, -0.0027670300000000 ]  - [  -0.0000436900000000,  0.0000552000000000,  0.0003111600000000 ]  - [   0.0001136200000000,  0.0002705500000000,  0.0007248500000000 ]  - [  -0.0001022200000000,  0.0001407600000000,  0.0003096100000000 ]  - [   0.0000349100000000, -0.0003895100000000,  0.0009370700000000 ]  - [   0.0002651700000000,  0.0003292600000000, -0.0003690500000000 ]  - [  -0.0050027200000000,  0.0036672800000000,  0.0017251300000000 ]  - [   0.0050027200000000,  0.0036672800000000,  0.0017251300000000 ]  - [  -0.0002651700000000,  0.0003292600000000, -0.0003690500000000 ]  - [  -0.0000349100000000, -0.0003895100000000,  0.0009370700000000 ]  - [   0.0001022200000000,  0.0001407600000000,  0.0003096100000000 ]  - [  -0.0001136200000000,  0.0002705500000000,  0.0007248500000000 ]  - [   0.0000436900000000,  0.0000552000000000,  0.0003111600000000 ]  - [   0.0007559600000000,  0.0013731600000000, -0.0027670300000000 ]  - [   0.0000414500000000, -0.0002437300000000, -0.0003671600000000 ]  - [   0.0005294300000000, -0.0004749300000000, -0.0001424400000000 ]  - [  -0.0005294300000000, -0.0004749300000000, -0.0001424400000000 ]  - [  -0.0001208000000000,  0.0008434700000000, -0.0003068100000000 ]  - [   0.0001208000000000,  0.0008434700000000, -0.0003068100000000 ]  - [   0.0000000000000000,  0.0002646100000000,  0.0013178100000000 ]  - [   0.0000000000000000,  0.0003786900000000,  0.0004853700000000 ]  - [   0.0000000000000000, -0.0107509600000000, -0.0960591200000000 ]  - [   0.0000000000000000, -0.0008099400000000,  0.0002104200000000 ]  - [   0.0000000000000000,  0.0011360300000000, -0.0025740500000000 ]  - [   0.0000000000000000, -0.0004755600000000, -0.0005174700000000 ]  - [   0.0000000000000000,  0.0012591400000000,  0.0008234800000000 ]  - [   0.0000000000000000,  0.0007947100000000, -0.0003612700000000 ]  - [   0.0001899000000000,  0.0002838700000000,  0.0005809600000000 ]  - [  -0.0001899000000000,  0.0002838700000000,  0.0005809600000000 ]  - [  -0.0005345900000000, -0.0005131800000000,  0.0000536900000000 ]  - [   0.0005345900000000, -0.0005131800000000,  0.0000536900000000 ]  - [   0.0003288900000000, -0.0004216100000000,  0.0000318000000000 ]  - [  -0.0003174000000000, -0.0000378300000000,  0.0000075600000000 ]  - [   0.0003672100000000,  0.0000464100000000,  0.0000635400000000 ]  - [  -0.0006909300000000,  0.0009577100000000, -0.0013755400000000 ]  - [  -0.0000648700000000, -0.0000285100000000, -0.0004632100000000 ]  - [   0.0003770100000000,  0.0001652600000000, -0.0004234800000000 ]  - [   0.0000656200000000, -0.0001486600000000,  0.0000727800000000 ]  - [  -0.0004383100000000,  0.0001067000000000, -0.0010916300000000 ]  - [  -0.0000441200000000,  0.0002396200000000, -0.0000124600000000 ]  - [  -0.0070530400000000, -0.0069005300000000,  0.0004500700000000 ]  - [   0.0000000000000000,  0.0195489000000000,  0.1067917900000000 ]  - [   0.0000000000000000,  0.0000153500000000,  0.0003425900000000 ]  - [  -0.0013189200000000,  0.0002305200000000,  0.0002214900000000 ]  - [   0.0013189200000000,  0.0002305200000000,  0.0002214900000000 ]  - [   0.0000000000000000,  0.0004601600000000, -0.0009309200000000 ]  - [   0.0000000000000000,  0.0001024500000000, -0.0003043500000000 ]  - [   0.0001836800000000,  0.0000150300000000, -0.0002817900000000 ]  - [  -0.0001836800000000,  0.0000150300000000, -0.0002817900000000 ]  - [  -0.0001492900000000, -0.0001020500000000, -0.0004772700000000 ]  - [   0.0001477100000000, -0.0002933100000000, -0.0010079700000000 ]  - [  -0.0003646500000000,  0.0001777500000000,  0.0002852700000000 ]  - [   0.0018065200000000,  0.0006090700000000, -0.0004023100000000 ]  - [  -0.0002574200000000,  0.0001114900000000,  0.0004105700000000 ]  - [   0.0010099900000000, -0.0041073800000000, -0.0044596000000000 ]  - [   0.0004383100000000,  0.0001067000000000, -0.0010916300000000 ]  - [  -0.0000656200000000, -0.0001486600000000,  0.0000727800000000 ]  - [   0.0070530400000000, -0.0069005300000000,  0.0004500700000000 ]  - [   0.0000441200000000,  0.0002396200000000, -0.0000124600000000 ]  - [  -0.0001477100000000, -0.0002933100000000, -0.0010079700000000 ]  - [   0.0001492900000000, -0.0001020500000000, -0.0004772700000000 ]  - [   0.0003174000000000, -0.0000378300000000,  0.0000075600000000 ]  - [  -0.0003288900000000, -0.0004216100000000,  0.0000318000000000 ]  - [   0.0006909300000000,  0.0009577100000000, -0.0013755400000000 ]  - [  -0.0003672100000000,  0.0000464100000000,  0.0000635400000000 ]  - [   0.0001887500000000, -0.0003514100000000,  0.0006357100000000 ]  - [  -0.0001887500000000, -0.0003514100000000,  0.0006357100000000 ]  - [   0.0000000000000000, -0.0015998500000000,  0.0031134500000000 ]  - [   0.0000000000000000, -0.0000280800000000,  0.0002273800000000 ]  - [   0.0000542900000000,  0.0000888400000000, -0.0005312100000000 ]  - [  -0.0000542900000000,  0.0000888400000000, -0.0005312100000000 ]  - [   0.0000000000000000, -0.0004048900000000, -0.0007961600000000 ]  - [   0.0000000000000000, -0.0000288200000000, -0.0001238000000000 ]  - [  -0.0003770100000000,  0.0001652600000000, -0.0004234800000000 ]  - [   0.0000648700000000, -0.0000285100000000, -0.0004632100000000 ]  - [  -0.0010099900000000, -0.0041073800000000, -0.0044596000000000 ]  - [   0.0002574200000000,  0.0001114900000000,  0.0004105700000000 ]  - [  -0.0018065200000000,  0.0006090700000000, -0.0004023100000000 ]  - [   0.0003646500000000,  0.0001777500000000,  0.0002852700000000 ]