# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/6dd0283b-b610-4852-a970-832e92538e9f/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 Ca3Y2(GeO4)3 / Ia-3d (230) / materials id 669331](https://mdr.nims.go.jp/datasets/9aa54a7d-ab3d-4e67-b829-658fac6bba8e)

## 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: "Ia-3d"  number: 230  Hall_symbol: "-I 4bd 2c 3"primitive_matrix:- [ -0.500000000000000,  0.500000000000000,  0.500000000000000 ]- [  0.500000000000000, -0.500000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.500000000000000, -0.500000000000000 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [    -6.385375430000000,     6.385375430000000,     6.385375430000000 ] # a  - [     6.385375430000000,    -6.385375430000000,     6.385375430000000 ] # b  - [     6.385375430000000,     6.385375430000000,    -6.385375430000000 ] # c  points:  - symbol: Ca # 1    coordinates: [  0.375000000000000,  0.125000000000000,  0.250000000000000 ]    mass: 40.078000  - symbol: Ca # 2    coordinates: [  0.875000000000000,  0.750000000000000,  0.625000000000000 ]    mass: 40.078000  - symbol: Ca # 3    coordinates: [  0.750000000000000,  0.125000000000000,  0.375000000000000 ]    mass: 40.078000  - symbol: Ca # 4    coordinates: [  0.625000000000000,  0.875000000000000,  0.750000000000000 ]    mass: 40.078000  - symbol: Ca # 5    coordinates: [  0.250000000000000,  0.375000000000000,  0.125000000000000 ]    mass: 40.078000  - symbol: Ca # 6    coordinates: [  0.375000000000000,  0.750000000000000,  0.125000000000000 ]    mass: 40.078000  - symbol: Ca # 7    coordinates: [  0.875000000000000,  0.625000000000000,  0.250000000000000 ]    mass: 40.078000  - symbol: Ca # 8    coordinates: [  0.250000000000000,  0.875000000000000,  0.625000000000000 ]    mass: 40.078000  - symbol: Ca # 9    coordinates: [  0.750000000000000,  0.625000000000000,  0.875000000000000 ]    mass: 40.078000  - symbol: Ca # 10    coordinates: [  0.625000000000000,  0.250000000000000,  0.875000000000000 ]    mass: 40.078000  - symbol: Ca # 11    coordinates: [  0.125000000000000,  0.375000000000000,  0.750000000000000 ]    mass: 40.078000  - symbol: Ca # 12    coordinates: [  0.125000000000000,  0.250000000000000,  0.375000000000000 ]    mass: 40.078000  - symbol: Y  # 13    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 88.905850  - symbol: Y  # 14    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 88.905850  - symbol: Y  # 15    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 88.905850  - symbol: Y  # 16    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 88.905850  - symbol: Y  # 17    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 88.905850  - symbol: Y  # 18    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 88.905850  - symbol: Y  # 19    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 88.905850  - symbol: Y  # 20    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 88.905850  - symbol: Ge # 21    coordinates: [  0.625000000000000,  0.750000000000000,  0.375000000000000 ]    mass: 72.640000  - symbol: Ge # 22    coordinates: [  0.250000000000000,  0.625000000000000,  0.375000000000000 ]    mass: 72.640000  - symbol: Ge # 23    coordinates: [  0.375000000000000,  0.250000000000000,  0.625000000000000 ]    mass: 72.640000  - symbol: Ge # 24    coordinates: [  0.250000000000000,  0.125000000000000,  0.875000000000000 ]    mass: 72.640000  - symbol: Ge # 25    coordinates: [  0.375000000000000,  0.625000000000000,  0.750000000000000 ]    mass: 72.640000  - symbol: Ge # 26    coordinates: [  0.750000000000000,  0.875000000000000,  0.125000000000000 ]    mass: 72.640000  - symbol: Ge # 27    coordinates: [  0.125000000000000,  0.875000000000000,  0.250000000000000 ]    mass: 72.640000  - symbol: Ge # 28    coordinates: [  0.875000000000000,  0.125000000000000,  0.750000000000000 ]    mass: 72.640000  - symbol: Ge # 29    coordinates: [  0.750000000000000,  0.375000000000000,  0.625000000000000 ]    mass: 72.640000  - symbol: Ge # 30    coordinates: [  0.875000000000000,  0.250000000000000,  0.125000000000000 ]    mass: 72.640000  - symbol: Ge # 31    coordinates: [  0.625000000000000,  0.375000000000000,  0.250000000000000 ]    mass: 72.640000  - symbol: Ge # 32    coordinates: [  0.125000000000000,  0.750000000000000,  0.875000000000000 ]    mass: 72.640000  - symbol: O  # 33    coordinates: [  0.103484920000000,  0.625205030000000,  0.407672510000000 ]    mass: 15.999400  - symbol: O  # 34    coordinates: [  0.695812410000000,  0.092327490000000,  0.717532520000000 ]    mass: 15.999400  - symbol: O  # 35    coordinates: [  0.874794970000000,  0.978279890000000,  0.782467480000000 ]    mass: 15.999400  - symbol: O  # 36    coordinates: [  0.478279890000000,  0.603484920000000,  0.195812410000000 ]    mass: 15.999400  - symbol: O  # 37    coordinates: [  0.978279890000000,  0.782467480000000,  0.874794970000000 ]    mass: 15.999400  - symbol: O  # 38    coordinates: [  0.717532520000000,  0.521720110000000,  0.625205030000000 ]    mass: 15.999400  - symbol: O  # 39    coordinates: [  0.874794970000000,  0.396515080000000,  0.092327490000000 ]    mass: 15.999400  - symbol: O  # 40    coordinates: [  0.907672510000000,  0.125205030000000,  0.603484920000000 ]    mass: 15.999400  - symbol: O  # 41    coordinates: [  0.125205030000000,  0.603484920000000,  0.907672510000000 ]    mass: 15.999400  - symbol: O  # 42    coordinates: [  0.782467480000000,  0.874794970000000,  0.978279890000000 ]    mass: 15.999400  - symbol: O  # 43    coordinates: [  0.021720110000000,  0.304187590000000,  0.896515080000000 ]    mass: 15.999400  - symbol: O  # 44    coordinates: [  0.125205030000000,  0.021720110000000,  0.217532520000000 ]    mass: 15.999400  - symbol: O  # 45    coordinates: [  0.804187590000000,  0.782467480000000,  0.407672510000000 ]    mass: 15.999400  - symbol: O  # 46    coordinates: [  0.092327490000000,  0.717532520000000,  0.695812410000000 ]    mass: 15.999400  - symbol: O  # 47    coordinates: [  0.282467480000000,  0.478279890000000,  0.374794970000000 ]    mass: 15.999400  - symbol: O  # 48    coordinates: [  0.407672510000000,  0.804187590000000,  0.782467480000000 ]    mass: 15.999400  - symbol: O  # 49    coordinates: [  0.896515080000000,  0.021720110000000,  0.304187590000000 ]    mass: 15.999400  - symbol: O  # 50    coordinates: [  0.304187590000000,  0.896515080000000,  0.021720110000000 ]    mass: 15.999400  - symbol: O  # 51    coordinates: [  0.217532520000000,  0.592327490000000,  0.195812410000000 ]    mass: 15.999400  - symbol: O  # 52    coordinates: [  0.195812410000000,  0.478279890000000,  0.603484920000000 ]    mass: 15.999400  - symbol: O  # 53    coordinates: [  0.592327490000000,  0.195812410000000,  0.217532520000000 ]    mass: 15.999400  - symbol: O  # 54    coordinates: [  0.782467480000000,  0.407672510000000,  0.804187590000000 ]    mass: 15.999400  - symbol: O  # 55    coordinates: [  0.907672510000000,  0.282467480000000,  0.304187590000000 ]    mass: 15.999400  - symbol: O  # 56    coordinates: [  0.521720110000000,  0.625205030000000,  0.717532520000000 ]    mass: 15.999400  - symbol: O  # 57    coordinates: [  0.407672510000000,  0.103484920000000,  0.625205030000000 ]    mass: 15.999400  - symbol: O  # 58    coordinates: [  0.396515080000000,  0.092327490000000,  0.874794970000000 ]    mass: 15.999400  - symbol: O  # 59    coordinates: [  0.521720110000000,  0.396515080000000,  0.804187590000000 ]    mass: 15.999400  - symbol: O  # 60    coordinates: [  0.374794970000000,  0.592327490000000,  0.896515080000000 ]    mass: 15.999400  - symbol: O  # 61    coordinates: [  0.804187590000000,  0.521720110000000,  0.396515080000000 ]    mass: 15.999400  - symbol: O  # 62    coordinates: [  0.195812410000000,  0.217532520000000,  0.592327490000000 ]    mass: 15.999400  - symbol: O  # 63    coordinates: [  0.695812410000000,  0.103484920000000,  0.978279890000000 ]    mass: 15.999400  - symbol: O  # 64    coordinates: [  0.625205030000000,  0.407672510000000,  0.103484920000000 ]    mass: 15.999400  - symbol: O  # 65    coordinates: [  0.603484920000000,  0.195812410000000,  0.478279890000000 ]    mass: 15.999400  - symbol: O  # 66    coordinates: [  0.374794970000000,  0.282467480000000,  0.478279890000000 ]    mass: 15.999400  - symbol: O  # 67    coordinates: [  0.592327490000000,  0.896515080000000,  0.374794970000000 ]    mass: 15.999400  - symbol: O  # 68    coordinates: [  0.103484920000000,  0.978279890000000,  0.695812410000000 ]    mass: 15.999400  - symbol: O  # 69    coordinates: [  0.021720110000000,  0.217532520000000,  0.125205030000000 ]    mass: 15.999400  - symbol: O  # 70    coordinates: [  0.603484920000000,  0.907672510000000,  0.125205030000000 ]    mass: 15.999400  - symbol: O  # 71    coordinates: [  0.396515080000000,  0.804187590000000,  0.521720110000000 ]    mass: 15.999400  - symbol: O  # 72    coordinates: [  0.625205030000000,  0.717532520000000,  0.521720110000000 ]    mass: 15.999400  - symbol: O  # 73    coordinates: [  0.717532520000000,  0.695812410000000,  0.092327490000000 ]    mass: 15.999400  - symbol: O  # 74    coordinates: [  0.304187590000000,  0.907672510000000,  0.282467480000000 ]    mass: 15.999400  - symbol: O  # 75    coordinates: [  0.217532520000000,  0.125205030000000,  0.021720110000000 ]    mass: 15.999400  - symbol: O  # 76    coordinates: [  0.978279890000000,  0.695812410000000,  0.103484920000000 ]    mass: 15.999400  - symbol: O  # 77    coordinates: [  0.092327490000000,  0.874794970000000,  0.396515080000000 ]    mass: 15.999400  - symbol: O  # 78    coordinates: [  0.478279890000000,  0.374794970000000,  0.282467480000000 ]    mass: 15.999400  - symbol: O  # 79    coordinates: [  0.896515080000000,  0.374794970000000,  0.592327490000000 ]    mass: 15.999400  - symbol: O  # 80    coordinates: [  0.282467480000000,  0.304187590000000,  0.907672510000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [    -0.000000000000000,     0.078303931457324,     0.078303931457324 ] # a*  - [     0.078303931457324,     0.000000000000000,     0.078303931457324 ] # b*  - [     0.078303931457324,     0.078303931457324,     0.000000000000000 ] # c*unit_cell:  lattice:  - [    12.770750860000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    12.770750860000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.770750860000000 ] # c  points:  - symbol: Ca # 1    coordinates: [  0.000000000000000,  0.250000000000000,  0.125000000000000 ]    mass: 40.078000    reduced_to: 1  - symbol: Ca # 2    coordinates: [  0.250000000000000,  0.375000000000000,  0.500000000000000 ]    mass: 40.078000    reduced_to: 2  - symbol: Ca # 3    coordinates: [  0.375000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 40.078000    reduced_to: 3  - symbol: Ca # 4    coordinates: [  0.500000000000000,  0.250000000000000,  0.375000000000000 ]    mass: 40.078000    reduced_to: 4  - symbol: Ca # 5    coordinates: [  0.125000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 40.078000    reduced_to: 5  - symbol: Ca # 6    coordinates: [  0.250000000000000,  0.875000000000000,  0.500000000000000 ]    mass: 40.078000    reduced_to: 6  - symbol: Ca # 7    coordinates: [  0.500000000000000,  0.750000000000000,  0.125000000000000 ]    mass: 40.078000    reduced_to: 7  - symbol: Ca # 8    coordinates: [  0.125000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 40.078000    reduced_to: 8  - symbol: Ca # 9    coordinates: [  0.375000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 40.078000    reduced_to: 9  - symbol: Ca # 10    coordinates: [  0.250000000000000,  0.625000000000000,  0.000000000000000 ]    mass: 40.078000    reduced_to: 10  - symbol: Ca # 11    coordinates: [  0.000000000000000,  0.750000000000000,  0.375000000000000 ]    mass: 40.078000    reduced_to: 11  - symbol: Ca # 12    coordinates: [  0.250000000000000,  0.125000000000000,  0.000000000000000 ]    mass: 40.078000    reduced_to: 12  - symbol: Ca # 13    coordinates: [  0.500000000000000,  0.750000000000000,  0.625000000000000 ]    mass: 40.078000    reduced_to: 1  - symbol: Ca # 14    coordinates: [  0.750000000000000,  0.875000000000000,  0.000000000000000 ]    mass: 40.078000    reduced_to: 2  - symbol: Ca # 15    coordinates: [  0.875000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 40.078000    reduced_to: 3  - symbol: Ca # 16    coordinates: [  0.000000000000000,  0.750000000000000,  0.875000000000000 ]    mass: 40.078000    reduced_to: 4  - symbol: Ca # 17    coordinates: [  0.625000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 40.078000    reduced_to: 5  - symbol: Ca # 18    coordinates: [  0.750000000000000,  0.375000000000000,  0.000000000000000 ]    mass: 40.078000    reduced_to: 6  - symbol: Ca # 19    coordinates: [  0.000000000000000,  0.250000000000000,  0.625000000000000 ]    mass: 40.078000    reduced_to: 7  - symbol: Ca # 20    coordinates: [  0.625000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 40.078000    reduced_to: 8  - symbol: Ca # 21    coordinates: [  0.875000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 40.078000    reduced_to: 9  - symbol: Ca # 22    coordinates: [  0.750000000000000,  0.125000000000000,  0.500000000000000 ]    mass: 40.078000    reduced_to: 10  - symbol: Ca # 23    coordinates: [  0.500000000000000,  0.250000000000000,  0.875000000000000 ]    mass: 40.078000    reduced_to: 11  - symbol: Ca # 24    coordinates: [  0.750000000000000,  0.625000000000000,  0.500000000000000 ]    mass: 40.078000    reduced_to: 12  - symbol: Y  # 25    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 88.905850    reduced_to: 25  - symbol: Y  # 26    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 88.905850    reduced_to: 26  - symbol: Y  # 27    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 27  - symbol: Y  # 28    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 28  - symbol: Y  # 29    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 29  - symbol: Y  # 30    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 30  - symbol: Y  # 31    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 88.905850    reduced_to: 31  - symbol: Y  # 32    coordinates: [  0.750000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 88.905850    reduced_to: 32  - symbol: Y  # 33    coordinates: [  0.250000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 88.905850    reduced_to: 25  - symbol: Y  # 34    coordinates: [  0.750000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 88.905850    reduced_to: 26  - symbol: Y  # 35    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 27  - symbol: Y  # 36    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 28  - symbol: Y  # 37    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 29  - symbol: Y  # 38    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 30  - symbol: Y  # 39    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 88.905850    reduced_to: 31  - symbol: Y  # 40    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 88.905850    reduced_to: 32  - symbol: Ge # 41    coordinates: [  0.750000000000000,  0.625000000000000,  0.000000000000000 ]    mass: 72.640000    reduced_to: 41  - symbol: Ge # 42    coordinates: [  0.375000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 72.640000    reduced_to: 42  - symbol: Ge # 43    coordinates: [  0.750000000000000,  0.875000000000000,  0.500000000000000 ]    mass: 72.640000    reduced_to: 43  - symbol: Ge # 44    coordinates: [  0.875000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 72.640000    reduced_to: 44  - symbol: Ge # 45    coordinates: [  0.000000000000000,  0.750000000000000,  0.625000000000000 ]    mass: 72.640000    reduced_to: 45  - symbol: Ge # 46    coordinates: [  0.625000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 72.640000    reduced_to: 46  - symbol: Ge # 47    coordinates: [  0.500000000000000,  0.750000000000000,  0.375000000000000 ]    mass: 72.640000    reduced_to: 47  - symbol: Ge # 48    coordinates: [  0.000000000000000,  0.750000000000000,  0.125000000000000 ]    mass: 72.640000    reduced_to: 48  - symbol: Ge # 49    coordinates: [  0.125000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 72.640000    reduced_to: 49  - symbol: Ge # 50    coordinates: [  0.250000000000000,  0.875000000000000,  0.000000000000000 ]    mass: 72.640000    reduced_to: 50  - symbol: Ge # 51    coordinates: [  0.500000000000000,  0.750000000000000,  0.875000000000000 ]    mass: 72.640000    reduced_to: 51  - symbol: Ge # 52    coordinates: [  0.250000000000000,  0.625000000000000,  0.500000000000000 ]    mass: 72.640000    reduced_to: 52  - symbol: Ge # 53    coordinates: [  0.250000000000000,  0.125000000000000,  0.500000000000000 ]    mass: 72.640000    reduced_to: 41  - symbol: Ge # 54    coordinates: [  0.875000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 72.640000    reduced_to: 42  - symbol: Ge # 55    coordinates: [  0.250000000000000,  0.375000000000000,  0.000000000000000 ]    mass: 72.640000    reduced_to: 43  - symbol: Ge # 56    coordinates: [  0.375000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 72.640000    reduced_to: 44  - symbol: Ge # 57    coordinates: [  0.500000000000000,  0.250000000000000,  0.125000000000000 ]    mass: 72.640000    reduced_to: 45  - symbol: Ge # 58    coordinates: [  0.125000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 72.640000    reduced_to: 46  - symbol: Ge # 59    coordinates: [  0.000000000000000,  0.250000000000000,  0.875000000000000 ]    mass: 72.640000    reduced_to: 47  - symbol: Ge # 60    coordinates: [  0.500000000000000,  0.250000000000000,  0.625000000000000 ]    mass: 72.640000    reduced_to: 48  - symbol: Ge # 61    coordinates: [  0.625000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 72.640000    reduced_to: 49  - symbol: Ge # 62    coordinates: [  0.750000000000000,  0.375000000000000,  0.500000000000000 ]    mass: 72.640000    reduced_to: 50  - symbol: Ge # 63    coordinates: [  0.000000000000000,  0.250000000000000,  0.375000000000000 ]    mass: 72.640000    reduced_to: 51  - symbol: Ge # 64    coordinates: [  0.750000000000000,  0.125000000000000,  0.000000000000000 ]    mass: 72.640000    reduced_to: 52  - symbol: O  # 65    coordinates: [  0.464696310000000,  0.942976200000000,  0.160508720000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 66    coordinates: [  0.057023800000000,  0.660508720000000,  0.035303690000000 ]    mass: 15.999400    reduced_to: 66  - symbol: O  # 67    coordinates: [  0.442976200000000,  0.339491280000000,  0.535303690000000 ]    mass: 15.999400    reduced_to: 67  - symbol: O  # 68    coordinates: [  0.160508720000000,  0.035303690000000,  0.442976200000000 ]    mass: 15.999400    reduced_to: 68  - symbol: O  # 69    coordinates: [  0.339491280000000,  0.535303690000000,  0.442976200000000 ]    mass: 15.999400    reduced_to: 69  - symbol: O  # 70    coordinates: [  0.214696310000000,  0.410508720000000,  0.307023800000000 ]    mass: 15.999400    reduced_to: 70  - symbol: O  # 71    coordinates: [  0.307023800000000,  0.785303690000000,  0.089491280000000 ]    mass: 15.999400    reduced_to: 71  - symbol: O  # 72    coordinates: [  0.910508720000000,  0.692976200000000,  0.214696310000000 ]    mass: 15.999400    reduced_to: 72  - symbol: O  # 73    coordinates: [  0.192976200000000,  0.714696310000000,  0.410508720000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 74    coordinates: [  0.535303690000000,  0.442976200000000,  0.339491280000000 ]    mass: 15.999400    reduced_to: 74  - symbol: O  # 75    coordinates: [  0.089491280000000,  0.807023800000000,  0.214696310000000 ]    mass: 15.999400    reduced_to: 75  - symbol: O  # 76    coordinates: [  0.057023800000000,  0.160508720000000,  0.964696310000000 ]    mass: 15.999400    reduced_to: 76  - symbol: O  # 77    coordinates: [  0.692976200000000,  0.714696310000000,  0.089491280000000 ]    mass: 15.999400    reduced_to: 77  - symbol: O  # 78    coordinates: [  0.160508720000000,  0.535303690000000,  0.557023800000000 ]    mass: 15.999400    reduced_to: 78  - symbol: O  # 79    coordinates: [  0.285303690000000,  0.089491280000000,  0.192976200000000 ]    mass: 15.999400    reduced_to: 79  - symbol: O  # 80    coordinates: [  0.089491280000000,  0.692976200000000,  0.714696310000000 ]    mass: 15.999400    reduced_to: 80  - symbol: O  # 81    coordinates: [  0.214696310000000,  0.089491280000000,  0.807023800000000 ]    mass: 15.999400    reduced_to: 81  - symbol: O  # 82    coordinates: [  0.307023800000000,  0.714696310000000,  0.589491280000000 ]    mass: 15.999400    reduced_to: 82  - symbol: O  # 83    coordinates: [  0.285303690000000,  0.910508720000000,  0.307023800000000 ]    mass: 15.999400    reduced_to: 83  - symbol: O  # 84    coordinates: [  0.942976200000000,  0.660508720000000,  0.535303690000000 ]    mass: 15.999400    reduced_to: 84  - symbol: O  # 85    coordinates: [  0.410508720000000,  0.807023800000000,  0.785303690000000 ]    mass: 15.999400    reduced_to: 85  - symbol: O  # 86    coordinates: [  0.214696310000000,  0.589491280000000,  0.192976200000000 ]    mass: 15.999400    reduced_to: 86  - symbol: O  # 87    coordinates: [  0.339491280000000,  0.964696310000000,  0.942976200000000 ]    mass: 15.999400    reduced_to: 87  - symbol: O  # 88    coordinates: [  0.410508720000000,  0.307023800000000,  0.214696310000000 ]    mass: 15.999400    reduced_to: 88  - symbol: O  # 89    coordinates: [  0.660508720000000,  0.964696310000000,  0.442976200000000 ]    mass: 15.999400    reduced_to: 89  - symbol: O  # 90    coordinates: [  0.785303690000000,  0.089491280000000,  0.307023800000000 ]    mass: 15.999400    reduced_to: 90  - symbol: O  # 91    coordinates: [  0.339491280000000,  0.464696310000000,  0.057023800000000 ]    mass: 15.999400    reduced_to: 91  - symbol: O  # 92    coordinates: [  0.057023800000000,  0.839491280000000,  0.535303690000000 ]    mass: 15.999400    reduced_to: 92  - symbol: O  # 93    coordinates: [  0.557023800000000,  0.839491280000000,  0.964696310000000 ]    mass: 15.999400    reduced_to: 93  - symbol: O  # 94    coordinates: [  0.807023800000000,  0.785303690000000,  0.410508720000000 ]    mass: 15.999400    reduced_to: 94  - symbol: O  # 95    coordinates: [  0.192976200000000,  0.785303690000000,  0.910508720000000 ]    mass: 15.999400    reduced_to: 95  - symbol: O  # 96    coordinates: [  0.442976200000000,  0.660508720000000,  0.964696310000000 ]    mass: 15.999400    reduced_to: 96  - symbol: O  # 97    coordinates: [  0.535303690000000,  0.942976200000000,  0.660508720000000 ]    mass: 15.999400    reduced_to: 97  - symbol: O  # 98    coordinates: [  0.192976200000000,  0.285303690000000,  0.089491280000000 ]    mass: 15.999400    reduced_to: 98  - symbol: O  # 99    coordinates: [  0.839491280000000,  0.535303690000000,  0.057023800000000 ]    mass: 15.999400    reduced_to: 99  - symbol: O  # 100    coordinates: [  0.285303690000000,  0.410508720000000,  0.692976200000000 ]    mass: 15.999400    reduced_to: 100  - symbol: O  # 101    coordinates: [  0.160508720000000,  0.964696310000000,  0.057023800000000 ]    mass: 15.999400    reduced_to: 101  - symbol: O  # 102    coordinates: [  0.714696310000000,  0.410508720000000,  0.192976200000000 ]    mass: 15.999400    reduced_to: 102  - symbol: O  # 103    coordinates: [  0.964696310000000,  0.557023800000000,  0.839491280000000 ]    mass: 15.999400    reduced_to: 103  - symbol: O  # 104    coordinates: [  0.307023800000000,  0.214696310000000,  0.410508720000000 ]    mass: 15.999400    reduced_to: 104  - symbol: O  # 105    coordinates: [  0.535303690000000,  0.557023800000000,  0.160508720000000 ]    mass: 15.999400    reduced_to: 105  - symbol: O  # 106    coordinates: [  0.442976200000000,  0.839491280000000,  0.464696310000000 ]    mass: 15.999400    reduced_to: 106  - symbol: O  # 107    coordinates: [  0.964696310000000,  0.057023800000000,  0.160508720000000 ]    mass: 15.999400    reduced_to: 107  - symbol: O  # 108    coordinates: [  0.410508720000000,  0.692976200000000,  0.285303690000000 ]    mass: 15.999400    reduced_to: 108  - symbol: O  # 109    coordinates: [  0.589491280000000,  0.807023800000000,  0.285303690000000 ]    mass: 15.999400    reduced_to: 109  - symbol: O  # 110    coordinates: [  0.089491280000000,  0.192976200000000,  0.285303690000000 ]    mass: 15.999400    reduced_to: 110  - symbol: O  # 111    coordinates: [  0.035303690000000,  0.557023800000000,  0.339491280000000 ]    mass: 15.999400    reduced_to: 111  - symbol: O  # 112    coordinates: [  0.964696310000000,  0.942976200000000,  0.339491280000000 ]    mass: 15.999400    reduced_to: 112  - symbol: O  # 113    coordinates: [  0.964696310000000,  0.442976200000000,  0.660508720000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 114    coordinates: [  0.557023800000000,  0.160508720000000,  0.535303690000000 ]    mass: 15.999400    reduced_to: 66  - symbol: O  # 115    coordinates: [  0.942976200000000,  0.839491280000000,  0.035303690000000 ]    mass: 15.999400    reduced_to: 67  - symbol: O  # 116    coordinates: [  0.660508720000000,  0.535303690000000,  0.942976200000000 ]    mass: 15.999400    reduced_to: 68  - symbol: O  # 117    coordinates: [  0.839491280000000,  0.035303690000000,  0.942976200000000 ]    mass: 15.999400    reduced_to: 69  - symbol: O  # 118    coordinates: [  0.714696310000000,  0.910508720000000,  0.807023800000000 ]    mass: 15.999400    reduced_to: 70  - symbol: O  # 119    coordinates: [  0.807023800000000,  0.285303690000000,  0.589491280000000 ]    mass: 15.999400    reduced_to: 71  - symbol: O  # 120    coordinates: [  0.410508720000000,  0.192976200000000,  0.714696310000000 ]    mass: 15.999400    reduced_to: 72  - symbol: O  # 121    coordinates: [  0.692976200000000,  0.214696310000000,  0.910508720000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 122    coordinates: [  0.035303690000000,  0.942976200000000,  0.839491280000000 ]    mass: 15.999400    reduced_to: 74  - symbol: O  # 123    coordinates: [  0.589491280000000,  0.307023800000000,  0.714696310000000 ]    mass: 15.999400    reduced_to: 75  - symbol: O  # 124    coordinates: [  0.557023800000000,  0.660508720000000,  0.464696310000000 ]    mass: 15.999400    reduced_to: 76  - symbol: O  # 125    coordinates: [  0.192976200000000,  0.214696310000000,  0.589491280000000 ]    mass: 15.999400    reduced_to: 77  - symbol: O  # 126    coordinates: [  0.660508720000000,  0.035303690000000,  0.057023800000000 ]    mass: 15.999400    reduced_to: 78  - symbol: O  # 127    coordinates: [  0.785303690000000,  0.589491280000000,  0.692976200000000 ]    mass: 15.999400    reduced_to: 79  - symbol: O  # 128    coordinates: [  0.589491280000000,  0.192976200000000,  0.214696310000000 ]    mass: 15.999400    reduced_to: 80  - symbol: O  # 129    coordinates: [  0.714696310000000,  0.589491280000000,  0.307023800000000 ]    mass: 15.999400    reduced_to: 81  - symbol: O  # 130    coordinates: [  0.807023800000000,  0.214696310000000,  0.089491280000000 ]    mass: 15.999400    reduced_to: 82  - symbol: O  # 131    coordinates: [  0.785303690000000,  0.410508720000000,  0.807023800000000 ]    mass: 15.999400    reduced_to: 83  - symbol: O  # 132    coordinates: [  0.442976200000000,  0.160508720000000,  0.035303690000000 ]    mass: 15.999400    reduced_to: 84  - symbol: O  # 133    coordinates: [  0.910508720000000,  0.307023800000000,  0.285303690000000 ]    mass: 15.999400    reduced_to: 85  - symbol: O  # 134    coordinates: [  0.714696310000000,  0.089491280000000,  0.692976200000000 ]    mass: 15.999400    reduced_to: 86  - symbol: O  # 135    coordinates: [  0.839491280000000,  0.464696310000000,  0.442976200000000 ]    mass: 15.999400    reduced_to: 87  - symbol: O  # 136    coordinates: [  0.910508720000000,  0.807023800000000,  0.714696310000000 ]    mass: 15.999400    reduced_to: 88  - symbol: O  # 137    coordinates: [  0.160508720000000,  0.464696310000000,  0.942976200000000 ]    mass: 15.999400    reduced_to: 89  - symbol: O  # 138    coordinates: [  0.285303690000000,  0.589491280000000,  0.807023800000000 ]    mass: 15.999400    reduced_to: 90  - symbol: O  # 139    coordinates: [  0.839491280000000,  0.964696310000000,  0.557023800000000 ]    mass: 15.999400    reduced_to: 91  - symbol: O  # 140    coordinates: [  0.557023800000000,  0.339491280000000,  0.035303690000000 ]    mass: 15.999400    reduced_to: 92  - symbol: O  # 141    coordinates: [  0.057023800000000,  0.339491280000000,  0.464696310000000 ]    mass: 15.999400    reduced_to: 93  - symbol: O  # 142    coordinates: [  0.307023800000000,  0.285303690000000,  0.910508720000000 ]    mass: 15.999400    reduced_to: 94  - symbol: O  # 143    coordinates: [  0.692976200000000,  0.285303690000000,  0.410508720000000 ]    mass: 15.999400    reduced_to: 95  - symbol: O  # 144    coordinates: [  0.942976200000000,  0.160508720000000,  0.464696310000000 ]    mass: 15.999400    reduced_to: 96  - symbol: O  # 145    coordinates: [  0.035303690000000,  0.442976200000000,  0.160508720000000 ]    mass: 15.999400    reduced_to: 97  - symbol: O  # 146    coordinates: [  0.692976200000000,  0.785303690000000,  0.589491280000000 ]    mass: 15.999400    reduced_to: 98  - symbol: O  # 147    coordinates: [  0.339491280000000,  0.035303690000000,  0.557023800000000 ]    mass: 15.999400    reduced_to: 99  - symbol: O  # 148    coordinates: [  0.785303690000000,  0.910508720000000,  0.192976200000000 ]    mass: 15.999400    reduced_to: 100  - symbol: O  # 149    coordinates: [  0.660508720000000,  0.464696310000000,  0.557023800000000 ]    mass: 15.999400    reduced_to: 101  - symbol: O  # 150    coordinates: [  0.214696310000000,  0.910508720000000,  0.692976200000000 ]    mass: 15.999400    reduced_to: 102  - symbol: O  # 151    coordinates: [  0.464696310000000,  0.057023800000000,  0.339491280000000 ]    mass: 15.999400    reduced_to: 103  - symbol: O  # 152    coordinates: [  0.807023800000000,  0.714696310000000,  0.910508720000000 ]    mass: 15.999400    reduced_to: 104  - symbol: O  # 153    coordinates: [  0.035303690000000,  0.057023800000000,  0.660508720000000 ]    mass: 15.999400    reduced_to: 105  - symbol: O  # 154    coordinates: [  0.942976200000000,  0.339491280000000,  0.964696310000000 ]    mass: 15.999400    reduced_to: 106  - symbol: O  # 155    coordinates: [  0.464696310000000,  0.557023800000000,  0.660508720000000 ]    mass: 15.999400    reduced_to: 107  - symbol: O  # 156    coordinates: [  0.910508720000000,  0.192976200000000,  0.785303690000000 ]    mass: 15.999400    reduced_to: 108  - symbol: O  # 157    coordinates: [  0.089491280000000,  0.307023800000000,  0.785303690000000 ]    mass: 15.999400    reduced_to: 109  - symbol: O  # 158    coordinates: [  0.589491280000000,  0.692976200000000,  0.785303690000000 ]    mass: 15.999400    reduced_to: 110  - symbol: O  # 159    coordinates: [  0.535303690000000,  0.057023800000000,  0.839491280000000 ]    mass: 15.999400    reduced_to: 111  - symbol: O  # 160    coordinates: [  0.464696310000000,  0.442976200000000,  0.839491280000000 ]    mass: 15.999400    reduced_to: 112supercell:  lattice:  - [    12.770750860000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    12.770750860000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.770750860000000 ] # c  points:  - symbol: Ca # 1    coordinates: [  0.000000000000000,  0.250000000000000,  0.125000000000000 ]    mass: 40.078000    reduced_to: 1  - symbol: Ca # 2    coordinates: [  0.250000000000000,  0.375000000000000,  0.500000000000000 ]    mass: 40.078000    reduced_to: 2  - symbol: Ca # 3    coordinates: [  0.375000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 40.078000    reduced_to: 3  - symbol: Ca # 4    coordinates: [  0.500000000000000,  0.250000000000000,  0.375000000000000 ]    mass: 40.078000    reduced_to: 4  - symbol: Ca # 5    coordinates: [  0.125000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 40.078000    reduced_to: 5  - symbol: Ca # 6    coordinates: [  0.250000000000000,  0.875000000000000,  0.500000000000000 ]    mass: 40.078000    reduced_to: 6  - symbol: Ca # 7    coordinates: [  0.500000000000000,  0.750000000000000,  0.125000000000000 ]    mass: 40.078000    reduced_to: 7  - symbol: Ca # 8    coordinates: [  0.125000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 40.078000    reduced_to: 8  - symbol: Ca # 9    coordinates: [  0.375000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 40.078000    reduced_to: 9  - symbol: Ca # 10    coordinates: [  0.250000000000000,  0.625000000000000,  0.000000000000000 ]    mass: 40.078000    reduced_to: 10  - symbol: Ca # 11    coordinates: [  0.000000000000000,  0.750000000000000,  0.375000000000000 ]    mass: 40.078000    reduced_to: 11  - symbol: Ca # 12    coordinates: [  0.250000000000000,  0.125000000000000,  0.000000000000000 ]    mass: 40.078000    reduced_to: 12  - symbol: Ca # 13    coordinates: [  0.500000000000000,  0.750000000000000,  0.625000000000000 ]    mass: 40.078000    reduced_to: 1  - symbol: Ca # 14    coordinates: [  0.750000000000000,  0.875000000000000,  0.000000000000000 ]    mass: 40.078000    reduced_to: 2  - symbol: Ca # 15    coordinates: [  0.875000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 40.078000    reduced_to: 3  - symbol: Ca # 16    coordinates: [  0.000000000000000,  0.750000000000000,  0.875000000000000 ]    mass: 40.078000    reduced_to: 4  - symbol: Ca # 17    coordinates: [  0.625000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 40.078000    reduced_to: 5  - symbol: Ca # 18    coordinates: [  0.750000000000000,  0.375000000000000,  0.000000000000000 ]    mass: 40.078000    reduced_to: 6  - symbol: Ca # 19    coordinates: [  0.000000000000000,  0.250000000000000,  0.625000000000000 ]    mass: 40.078000    reduced_to: 7  - symbol: Ca # 20    coordinates: [  0.625000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 40.078000    reduced_to: 8  - symbol: Ca # 21    coordinates: [  0.875000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 40.078000    reduced_to: 9  - symbol: Ca # 22    coordinates: [  0.750000000000000,  0.125000000000000,  0.500000000000000 ]    mass: 40.078000    reduced_to: 10  - symbol: Ca # 23    coordinates: [  0.500000000000000,  0.250000000000000,  0.875000000000000 ]    mass: 40.078000    reduced_to: 11  - symbol: Ca # 24    coordinates: [  0.750000000000000,  0.625000000000000,  0.500000000000000 ]    mass: 40.078000    reduced_to: 12  - symbol: Y  # 25    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 88.905850    reduced_to: 25  - symbol: Y  # 26    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 88.905850    reduced_to: 26  - symbol: Y  # 27    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 27  - symbol: Y  # 28    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 28  - symbol: Y  # 29    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 29  - symbol: Y  # 30    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 30  - symbol: Y  # 31    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 88.905850    reduced_to: 31  - symbol: Y  # 32    coordinates: [  0.750000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 88.905850    reduced_to: 32  - symbol: Y  # 33    coordinates: [  0.250000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 88.905850    reduced_to: 25  - symbol: Y  # 34    coordinates: [  0.750000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 88.905850    reduced_to: 26  - symbol: Y  # 35    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 27  - symbol: Y  # 36    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 28  - symbol: Y  # 37    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 88.905850    reduced_to: 29  - symbol: Y  # 38    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 88.905850    reduced_to: 30  - symbol: Y  # 39    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 88.905850    reduced_to: 31  - symbol: Y  # 40    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 88.905850    reduced_to: 32  - symbol: Ge # 41    coordinates: [  0.750000000000000,  0.625000000000000,  0.000000000000000 ]    mass: 72.640000    reduced_to: 41  - symbol: Ge # 42    coordinates: [  0.375000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 72.640000    reduced_to: 42  - symbol: Ge # 43    coordinates: [  0.750000000000000,  0.875000000000000,  0.500000000000000 ]    mass: 72.640000    reduced_to: 43  - symbol: Ge # 44    coordinates: [  0.875000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 72.640000    reduced_to: 44  - symbol: Ge # 45    coordinates: [  0.000000000000000,  0.750000000000000,  0.625000000000000 ]    mass: 72.640000    reduced_to: 45  - symbol: Ge # 46    coordinates: [  0.625000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 72.640000    reduced_to: 46  - symbol: Ge # 47    coordinates: [  0.500000000000000,  0.750000000000000,  0.375000000000000 ]    mass: 72.640000    reduced_to: 47  - symbol: Ge # 48    coordinates: [  0.000000000000000,  0.750000000000000,  0.125000000000000 ]    mass: 72.640000    reduced_to: 48  - symbol: Ge # 49    coordinates: [  0.125000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 72.640000    reduced_to: 49  - symbol: Ge # 50    coordinates: [  0.250000000000000,  0.875000000000000,  0.000000000000000 ]    mass: 72.640000    reduced_to: 50  - symbol: Ge # 51    coordinates: [  0.500000000000000,  0.750000000000000,  0.875000000000000 ]    mass: 72.640000    reduced_to: 51  - symbol: Ge # 52    coordinates: [  0.250000000000000,  0.625000000000000,  0.500000000000000 ]    mass: 72.640000    reduced_to: 52  - symbol: Ge # 53    coordinates: [  0.250000000000000,  0.125000000000000,  0.500000000000000 ]    mass: 72.640000    reduced_to: 41  - symbol: Ge # 54    coordinates: [  0.875000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 72.640000    reduced_to: 42  - symbol: Ge # 55    coordinates: [  0.250000000000000,  0.375000000000000,  0.000000000000000 ]    mass: 72.640000    reduced_to: 43  - symbol: Ge # 56    coordinates: [  0.375000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 72.640000    reduced_to: 44  - symbol: Ge # 57    coordinates: [  0.500000000000000,  0.250000000000000,  0.125000000000000 ]    mass: 72.640000    reduced_to: 45  - symbol: Ge # 58    coordinates: [  0.125000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 72.640000    reduced_to: 46  - symbol: Ge # 59    coordinates: [  0.000000000000000,  0.250000000000000,  0.875000000000000 ]    mass: 72.640000    reduced_to: 47  - symbol: Ge # 60    coordinates: [  0.500000000000000,  0.250000000000000,  0.625000000000000 ]    mass: 72.640000    reduced_to: 48  - symbol: Ge # 61    coordinates: [  0.625000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 72.640000    reduced_to: 49  - symbol: Ge # 62    coordinates: [  0.750000000000000,  0.375000000000000,  0.500000000000000 ]    mass: 72.640000    reduced_to: 50  - symbol: Ge # 63    coordinates: [  0.000000000000000,  0.250000000000000,  0.375000000000000 ]    mass: 72.640000    reduced_to: 51  - symbol: Ge # 64    coordinates: [  0.750000000000000,  0.125000000000000,  0.000000000000000 ]    mass: 72.640000    reduced_to: 52  - symbol: O  # 65    coordinates: [  0.464696310000000,  0.942976200000000,  0.160508720000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 66    coordinates: [  0.057023800000000,  0.660508720000000,  0.035303690000000 ]    mass: 15.999400    reduced_to: 66  - symbol: O  # 67    coordinates: [  0.442976200000000,  0.339491280000000,  0.535303690000000 ]    mass: 15.999400    reduced_to: 67  - symbol: O  # 68    coordinates: [  0.160508720000000,  0.035303690000000,  0.442976200000000 ]    mass: 15.999400    reduced_to: 68  - symbol: O  # 69    coordinates: [  0.339491280000000,  0.535303690000000,  0.442976200000000 ]    mass: 15.999400    reduced_to: 69  - symbol: O  # 70    coordinates: [  0.214696310000000,  0.410508720000000,  0.307023800000000 ]    mass: 15.999400    reduced_to: 70  - symbol: O  # 71    coordinates: [  0.307023800000000,  0.785303690000000,  0.089491280000000 ]    mass: 15.999400    reduced_to: 71  - symbol: O  # 72    coordinates: [  0.910508720000000,  0.692976200000000,  0.214696310000000 ]    mass: 15.999400    reduced_to: 72  - symbol: O  # 73    coordinates: [  0.192976200000000,  0.714696310000000,  0.410508720000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 74    coordinates: [  0.535303690000000,  0.442976200000000,  0.339491280000000 ]    mass: 15.999400    reduced_to: 74  - symbol: O  # 75    coordinates: [  0.089491280000000,  0.807023800000000,  0.214696310000000 ]    mass: 15.999400    reduced_to: 75  - symbol: O  # 76    coordinates: [  0.057023800000000,  0.160508720000000,  0.964696310000000 ]    mass: 15.999400    reduced_to: 76  - symbol: O  # 77    coordinates: [  0.692976200000000,  0.714696310000000,  0.089491280000000 ]    mass: 15.999400    reduced_to: 77  - symbol: O  # 78    coordinates: [  0.160508720000000,  0.535303690000000,  0.557023800000000 ]    mass: 15.999400    reduced_to: 78  - symbol: O  # 79    coordinates: [  0.285303690000000,  0.089491280000000,  0.192976200000000 ]    mass: 15.999400    reduced_to: 79  - symbol: O  # 80    coordinates: [  0.089491280000000,  0.692976200000000,  0.714696310000000 ]    mass: 15.999400    reduced_to: 80  - symbol: O  # 81    coordinates: [  0.214696310000000,  0.089491280000000,  0.807023800000000 ]    mass: 15.999400    reduced_to: 81  - symbol: O  # 82    coordinates: [  0.307023800000000,  0.714696310000000,  0.589491280000000 ]    mass: 15.999400    reduced_to: 82  - symbol: O  # 83    coordinates: [  0.285303690000000,  0.910508720000000,  0.307023800000000 ]    mass: 15.999400    reduced_to: 83  - symbol: O  # 84    coordinates: [  0.942976200000000,  0.660508720000000,  0.535303690000000 ]    mass: 15.999400    reduced_to: 84  - symbol: O  # 85    coordinates: [  0.410508720000000,  0.807023800000000,  0.785303690000000 ]    mass: 15.999400    reduced_to: 85  - symbol: O  # 86    coordinates: [  0.214696310000000,  0.589491280000000,  0.192976200000000 ]    mass: 15.999400    reduced_to: 86  - symbol: O  # 87    coordinates: [  0.339491280000000,  0.964696310000000,  0.942976200000000 ]    mass: 15.999400    reduced_to: 87  - symbol: O  # 88    coordinates: [  0.410508720000000,  0.307023800000000,  0.214696310000000 ]    mass: 15.999400    reduced_to: 88  - symbol: O  # 89    coordinates: [  0.660508720000000,  0.964696310000000,  0.442976200000000 ]    mass: 15.999400    reduced_to: 89  - symbol: O  # 90    coordinates: [  0.785303690000000,  0.089491280000000,  0.307023800000000 ]    mass: 15.999400    reduced_to: 90  - symbol: O  # 91    coordinates: [  0.339491280000000,  0.464696310000000,  0.057023800000000 ]    mass: 15.999400    reduced_to: 91  - symbol: O  # 92    coordinates: [  0.057023800000000,  0.839491280000000,  0.535303690000000 ]    mass: 15.999400    reduced_to: 92  - symbol: O  # 93    coordinates: [  0.557023800000000,  0.839491280000000,  0.964696310000000 ]    mass: 15.999400    reduced_to: 93  - symbol: O  # 94    coordinates: [  0.807023800000000,  0.785303690000000,  0.410508720000000 ]    mass: 15.999400    reduced_to: 94  - symbol: O  # 95    coordinates: [  0.192976200000000,  0.785303690000000,  0.910508720000000 ]    mass: 15.999400    reduced_to: 95  - symbol: O  # 96    coordinates: [  0.442976200000000,  0.660508720000000,  0.964696310000000 ]    mass: 15.999400    reduced_to: 96  - symbol: O  # 97    coordinates: [  0.535303690000000,  0.942976200000000,  0.660508720000000 ]    mass: 15.999400    reduced_to: 97  - symbol: O  # 98    coordinates: [  0.192976200000000,  0.285303690000000,  0.089491280000000 ]    mass: 15.999400    reduced_to: 98  - symbol: O  # 99    coordinates: [  0.839491280000000,  0.535303690000000,  0.057023800000000 ]    mass: 15.999400    reduced_to: 99  - symbol: O  # 100    coordinates: [  0.285303690000000,  0.410508720000000,  0.692976200000000 ]    mass: 15.999400    reduced_to: 100  - symbol: O  # 101    coordinates: [  0.160508720000000,  0.964696310000000,  0.057023800000000 ]    mass: 15.999400    reduced_to: 101  - symbol: O  # 102    coordinates: [  0.714696310000000,  0.410508720000000,  0.192976200000000 ]    mass: 15.999400    reduced_to: 102  - symbol: O  # 103    coordinates: [  0.964696310000000,  0.557023800000000,  0.839491280000000 ]    mass: 15.999400    reduced_to: 103  - symbol: O  # 104    coordinates: [  0.307023800000000,  0.214696310000000,  0.410508720000000 ]    mass: 15.999400    reduced_to: 104  - symbol: O  # 105    coordinates: [  0.535303690000000,  0.557023800000000,  0.160508720000000 ]    mass: 15.999400    reduced_to: 105  - symbol: O  # 106    coordinates: [  0.442976200000000,  0.839491280000000,  0.464696310000000 ]    mass: 15.999400    reduced_to: 106  - symbol: O  # 107    coordinates: [  0.964696310000000,  0.057023800000000,  0.160508720000000 ]    mass: 15.999400    reduced_to: 107  - symbol: O  # 108    coordinates: [  0.410508720000000,  0.692976200000000,  0.285303690000000 ]    mass: 15.999400    reduced_to: 108  - symbol: O  # 109    coordinates: [  0.589491280000000,  0.807023800000000,  0.285303690000000 ]    mass: 15.999400    reduced_to: 109  - symbol: O  # 110    coordinates: [  0.089491280000000,  0.192976200000000,  0.285303690000000 ]    mass: 15.999400    reduced_to: 110  - symbol: O  # 111    coordinates: [  0.035303690000000,  0.557023800000000,  0.339491280000000 ]    mass: 15.999400    reduced_to: 111  - symbol: O  # 112    coordinates: [  0.964696310000000,  0.942976200000000,  0.339491280000000 ]    mass: 15.999400    reduced_to: 112  - symbol: O  # 113    coordinates: [  0.964696310000000,  0.442976200000000,  0.660508720000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 114    coordinates: [  0.557023800000000,  0.160508720000000,  0.535303690000000 ]    mass: 15.999400    reduced_to: 66  - symbol: O  # 115    coordinates: [  0.942976200000000,  0.839491280000000,  0.035303690000000 ]    mass: 15.999400    reduced_to: 67  - symbol: O  # 116    coordinates: [  0.660508720000000,  0.535303690000000,  0.942976200000000 ]    mass: 15.999400    reduced_to: 68  - symbol: O  # 117    coordinates: [  0.839491280000000,  0.035303690000000,  0.942976200000000 ]    mass: 15.999400    reduced_to: 69  - symbol: O  # 118    coordinates: [  0.714696310000000,  0.910508720000000,  0.807023800000000 ]    mass: 15.999400    reduced_to: 70  - symbol: O  # 119    coordinates: [  0.807023800000000,  0.285303690000000,  0.589491280000000 ]    mass: 15.999400    reduced_to: 71  - symbol: O  # 120    coordinates: [  0.410508720000000,  0.192976200000000,  0.714696310000000 ]    mass: 15.999400    reduced_to: 72  - symbol: O  # 121    coordinates: [  0.692976200000000,  0.214696310000000,  0.910508720000000 ]    mass: 15.999400    reduced_to: 73  - symbol: O  # 122    coordinates: [  0.035303690000000,  0.942976200000000,  0.839491280000000 ]    mass: 15.999400    reduced_to: 74  - symbol: O  # 123    coordinates: [  0.589491280000000,  0.307023800000000,  0.714696310000000 ]    mass: 15.999400    reduced_to: 75  - symbol: O  # 124    coordinates: [  0.557023800000000,  0.660508720000000,  0.464696310000000 ]    mass: 15.999400    reduced_to: 76  - symbol: O  # 125    coordinates: [  0.192976200000000,  0.214696310000000,  0.589491280000000 ]    mass: 15.999400    reduced_to: 77  - symbol: O  # 126    coordinates: [  0.660508720000000,  0.035303690000000,  0.057023800000000 ]    mass: 15.999400    reduced_to: 78  - symbol: O  # 127    coordinates: [  0.785303690000000,  0.589491280000000,  0.692976200000000 ]    mass: 15.999400    reduced_to: 79  - symbol: O  # 128    coordinates: [  0.589491280000000,  0.192976200000000,  0.214696310000000 ]    mass: 15.999400    reduced_to: 80  - symbol: O  # 129    coordinates: [  0.714696310000000,  0.589491280000000,  0.307023800000000 ]    mass: 15.999400    reduced_to: 81  - symbol: O  # 130    coordinates: [  0.807023800000000,  0.214696310000000,  0.089491280000000 ]    mass: 15.999400    reduced_to: 82  - symbol: O  # 131    coordinates: [  0.785303690000000,  0.410508720000000,  0.807023800000000 ]    mass: 15.999400    reduced_to: 83  - symbol: O  # 132    coordinates: [  0.442976200000000,  0.160508720000000,  0.035303690000000 ]    mass: 15.999400    reduced_to: 84  - symbol: O  # 133    coordinates: [  0.910508720000000,  0.307023800000000,  0.285303690000000 ]    mass: 15.999400    reduced_to: 85  - symbol: O  # 134    coordinates: [  0.714696310000000,  0.089491280000000,  0.692976200000000 ]    mass: 15.999400    reduced_to: 86  - symbol: O  # 135    coordinates: [  0.839491280000000,  0.464696310000000,  0.442976200000000 ]    mass: 15.999400    reduced_to: 87  - symbol: O  # 136    coordinates: [  0.910508720000000,  0.807023800000000,  0.714696310000000 ]    mass: 15.999400    reduced_to: 88  - symbol: O  # 137    coordinates: [  0.160508720000000,  0.464696310000000,  0.942976200000000 ]    mass: 15.999400    reduced_to: 89  - symbol: O  # 138    coordinates: [  0.285303690000000,  0.589491280000000,  0.807023800000000 ]    mass: 15.999400    reduced_to: 90  - symbol: O  # 139    coordinates: [  0.839491280000000,  0.964696310000000,  0.557023800000000 ]    mass: 15.999400    reduced_to: 91  - symbol: O  # 140    coordinates: [  0.557023800000000,  0.339491280000000,  0.035303690000000 ]    mass: 15.999400    reduced_to: 92  - symbol: O  # 141    coordinates: [  0.057023800000000,  0.339491280000000,  0.464696310000000 ]    mass: 15.999400    reduced_to: 93  - symbol: O  # 142    coordinates: [  0.307023800000000,  0.285303690000000,  0.910508720000000 ]    mass: 15.999400    reduced_to: 94  - symbol: O  # 143    coordinates: [  0.692976200000000,  0.285303690000000,  0.410508720000000 ]    mass: 15.999400    reduced_to: 95  - symbol: O  # 144    coordinates: [  0.942976200000000,  0.160508720000000,  0.464696310000000 ]    mass: 15.999400    reduced_to: 96  - symbol: O  # 145    coordinates: [  0.035303690000000,  0.442976200000000,  0.160508720000000 ]    mass: 15.999400    reduced_to: 97  - symbol: O  # 146    coordinates: [  0.692976200000000,  0.785303690000000,  0.589491280000000 ]    mass: 15.999400    reduced_to: 98  - symbol: O  # 147    coordinates: [  0.339491280000000,  0.035303690000000,  0.557023800000000 ]    mass: 15.999400    reduced_to: 99  - symbol: O  # 148    coordinates: [  0.785303690000000,  0.910508720000000,  0.192976200000000 ]    mass: 15.999400    reduced_to: 100  - symbol: O  # 149    coordinates: [  0.660508720000000,  0.464696310000000,  0.557023800000000 ]    mass: 15.999400    reduced_to: 101  - symbol: O  # 150    coordinates: [  0.214696310000000,  0.910508720000000,  0.692976200000000 ]    mass: 15.999400    reduced_to: 102  - symbol: O  # 151    coordinates: [  0.464696310000000,  0.057023800000000,  0.339491280000000 ]    mass: 15.999400    reduced_to: 103  - symbol: O  # 152    coordinates: [  0.807023800000000,  0.714696310000000,  0.910508720000000 ]    mass: 15.999400    reduced_to: 104  - symbol: O  # 153    coordinates: [  0.035303690000000,  0.057023800000000,  0.660508720000000 ]    mass: 15.999400    reduced_to: 105  - symbol: O  # 154    coordinates: [  0.942976200000000,  0.339491280000000,  0.964696310000000 ]    mass: 15.999400    reduced_to: 106  - symbol: O  # 155    coordinates: [  0.464696310000000,  0.557023800000000,  0.660508720000000 ]    mass: 15.999400    reduced_to: 107  - symbol: O  # 156    coordinates: [  0.910508720000000,  0.192976200000000,  0.785303690000000 ]    mass: 15.999400    reduced_to: 108  - symbol: O  # 157    coordinates: [  0.089491280000000,  0.307023800000000,  0.785303690000000 ]    mass: 15.999400    reduced_to: 109  - symbol: O  # 158    coordinates: [  0.589491280000000,  0.692976200000000,  0.785303690000000 ]    mass: 15.999400    reduced_to: 110  - symbol: O  # 159    coordinates: [  0.535303690000000,  0.057023800000000,  0.839491280000000 ]    mass: 15.999400    reduced_to: 111  - symbol: O  # 160    coordinates: [  0.464696310000000,  0.442976200000000,  0.839491280000000 ]    mass: 15.999400    reduced_to: 112displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0524097700000000,  0.0091842300000000, -0.0001412400000000 ]  - [   0.0000747100000000,  0.0003560700000000,  0.0008977900000000 ]  - [   0.0006555800000000, -0.0001900000000000, -0.0000719500000000 ]  - [   0.0017439800000000,  0.0000647500000000,  0.0000053600000000 ]  - [  -0.0015070800000000, -0.0041016000000000,  0.0010404400000000 ]  - [   0.0000213700000000, -0.0002462800000000,  0.0001900000000000 ]  - [   0.0007206200000000, -0.0000004400000000, -0.0000002500000000 ]  - [  -0.0007495700000000,  0.0002234400000000, -0.0008453000000000 ]  - [   0.0016565600000000,  0.0008998000000000,  0.0008435100000000 ]  - [   0.0000767400000000,  0.0014874300000000, -0.0002244500000000 ]  - [  -0.0005133300000000,  0.0004310200000000, -0.0000017700000000 ]  - [   0.0046005100000000, -0.0056207600000000, -0.0041245700000000 ]  - [   0.0003706000000000,  0.0001085600000000, -0.0000002700000000 ]  - [   0.0000795500000000,  0.0014818400000000,  0.0002269900000000 ]  - [  -0.0014796800000000, -0.0040999100000000, -0.0010376000000000 ]  - [  -0.0006504300000000,  0.0000640500000000,  0.0000017900000000 ]  - [   0.0006625700000000, -0.0001884300000000,  0.0000696600000000 ]  - [   0.0045749000000000, -0.0055725800000000,  0.0040768000000000 ]  - [  -0.0008396500000000, -0.0000004700000000, -0.0000001500000000 ]  - [   0.0016592600000000,  0.0008909600000000, -0.0008400000000000 ]  - [  -0.0007410700000000,  0.0002272300000000,  0.0008404500000000 ]  - [   0.0000803500000000,  0.0003563700000000, -0.0008965600000000 ]  - [   0.0026377000000000, -0.0004290400000000, -0.0000031500000000 ]  - [   0.0000263200000000, -0.0002458000000000, -0.0001874200000000 ]  - [   0.0155540800000000, -0.0012938500000000, -0.0129264600000000 ]  - [   0.0000201300000000,  0.0003429700000000,  0.0003114800000000 ]  - [  -0.0014656800000000, -0.0004201400000000, -0.0001713800000000 ]  - [  -0.0069281100000000, -0.0006223200000000,  0.0017867200000000 ]  - [  -0.0069419100000000, -0.0006889100000000, -0.0017448300000000 ]  - [  -0.0014582700000000, -0.0004323300000000,  0.0001732300000000 ]  - [   0.0157124200000000, -0.0013096700000000,  0.0131052700000000 ]  - [   0.0000321200000000,  0.0003410900000000, -0.0003064500000000 ]  - [   0.0000159400000000,  0.0002234400000000, -0.0002831800000000 ]  - [  -0.0002999400000000, -0.0003487900000000,  0.0022495200000000 ]  - [   0.0032997000000000,  0.0002664100000000, -0.0001648900000000 ]  - [   0.0011276500000000, -0.0001793700000000, -0.0002168700000000 ]  - [   0.0011354100000000, -0.0001757900000000,  0.0002126600000000 ]  - [   0.0033001600000000,  0.0002562000000000,  0.0001622900000000 ]  - [   0.0000172800000000,  0.0002108700000000,  0.0002738700000000 ]  - [  -0.0003133700000000, -0.0003542500000000, -0.0022541900000000 ]  - [   0.0004872200000000, -0.0005686900000000,  0.0004472600000000 ]  - [   0.0025252600000000, -0.0019204100000000,  0.0008612400000000 ]  - [   0.0000028000000000,  0.0002469100000000, -0.0002556300000000 ]  - [  -0.0007868500000000,  0.0046273300000000, -0.0021891800000000 ]  - [  -0.0004964400000000,  0.0001059500000000, -0.0000023500000000 ]  - [   0.0025238500000000, -0.0019041600000000, -0.0008503300000000 ]  - [   0.0007887800000000,  0.0000487500000000, -0.0000001100000000 ]  - [  -0.0011228400000000,  0.0006619200000000, -0.0000008300000000 ]  - [  -0.0008435200000000,  0.0046310500000000,  0.0021603800000000 ]  - [   0.0004808400000000, -0.0005682200000000, -0.0004468000000000 ]  - [   0.0007875000000000,  0.0003657400000000, -0.0000026300000000 ]  - [  -0.0000042900000000,  0.0002478800000000,  0.0002558200000000 ]  - [   0.0000528400000000, -0.0010334500000000,  0.0013415000000000 ]  - [  -0.0009139900000000, -0.0007743100000000,  0.0004916100000000 ]  - [   0.0071568600000000,  0.0094265800000000, -0.0100449200000000 ]  - [   0.0008783900000000,  0.0003555500000000, -0.0005032500000000 ]  - [   0.0049880300000000, -0.0009709300000000, -0.0000015000000000 ]  - [  -0.0009176900000000, -0.0007748800000000, -0.0004895600000000 ]  - [  -0.0086775000000000,  0.0049503900000000,  0.0000544500000000 ]  - [   0.0012167600000000,  0.0001502400000000, -0.0000024200000000 ]  - [   0.0008772500000000,  0.0003563700000000,  0.0004974100000000 ]  - [   0.0000654500000000, -0.0010320900000000, -0.0013416800000000 ]  - [  -0.0144390500000000,  0.0058497900000000, -0.0000508000000000 ]  - [   0.0070766900000000,  0.0093659800000000,  0.0099830500000000 ]  - [  -0.0014126600000000,  0.0002906400000000,  0.0005295500000000 ]  - [   0.0007925300000000, -0.0003545800000000,  0.0000638100000000 ]  - [  -0.0006430600000000, -0.0000733500000000, -0.0000698600000000 ]  - [   0.0003670600000000,  0.0008821500000000, -0.0007793700000000 ]  - [  -0.0005324100000000, -0.0002420100000000, -0.0003967400000000 ]  - [  -0.0004030400000000, -0.0024165000000000, -0.0018586600000000 ]  - [  -0.0002816800000000, -0.0000034100000000, -0.0000713800000000 ]  - [   0.0007336500000000, -0.0000087400000000, -0.0001065100000000 ]  - [   0.0001215800000000, -0.0000931800000000, -0.0001638000000000 ]  - [  -0.0013069500000000,  0.0001112300000000,  0.0003928400000000 ]  - [   0.0007072600000000, -0.0000349200000000,  0.0000559800000000 ]  - [   0.0082761700000000, -0.0006092800000000,  0.0010142200000000 ]  - [  -0.0002798100000000, -0.0000250400000000,  0.0000717500000000 ]  - [   0.0003574700000000, -0.0000664900000000, -0.0000347400000000 ]  - [  -0.0024748100000000,  0.0031727800000000, -0.0009874400000000 ]  - [   0.0003859300000000, -0.0001224800000000,  0.0001068500000000 ]  - [   0.0002425500000000,  0.0007227300000000,  0.0008106500000000 ]  - [  -0.0001204800000000, -0.0000913900000000, -0.0000424700000000 ]  - [  -0.0001500100000000,  0.0007010900000000, -0.0004289800000000 ]  - [   0.0003366400000000, -0.0000380800000000, -0.0000127600000000 ]  - [  -0.0003968500000000, -0.0000257600000000, -0.0000101100000000 ]  - [   0.0000540100000000, -0.0010251800000000, -0.0001793900000000 ]  - [  -0.0011533500000000,  0.0004927100000000,  0.0001789500000000 ]  - [  -0.0038904800000000,  0.0001201800000000, -0.0000778600000000 ]  - [  -0.0005112600000000, -0.0002858400000000,  0.0004163700000000 ]  - [  -0.0003949400000000, -0.0023996900000000,  0.0018398100000000 ]  - [  -0.0036980300000000, -0.0036242800000000,  0.0006142300000000 ]  - [   0.0003263700000000, -0.0000477200000000,  0.0000446100000000 ]  - [  -0.0006542600000000, -0.0004272300000000, -0.0002325200000000 ]  - [   0.0000986200000000, -0.0000465600000000,  0.0001874500000000 ]  - [   0.0001216800000000,  0.0000501700000000,  0.0003295500000000 ]  - [  -0.0006445100000000, -0.0004322500000000,  0.0002087800000000 ]  - [  -0.0005146100000000, -0.0000713000000000, -0.0002944300000000 ]  - [  -0.0035791900000000, -0.0035054100000000,  0.0034642200000000 ]  - [   0.0006165000000000,  0.0014146800000000, -0.0005076600000000 ]  - [  -0.0002176900000000, -0.0003232000000000,  0.0003199600000000 ]  - [   0.0006392800000000,  0.0013885100000000,  0.0004959500000000 ]  - [  -0.0024974000000000,  0.0031668600000000,  0.0009868000000000 ]  - [   0.0008511800000000,  0.0002927700000000,  0.0002937200000000 ]  - [  -0.0011320400000000,  0.0006338500000000, -0.0024095000000000 ]  - [  -0.0013753300000000,  0.0002711300000000, -0.0005146000000000 ]  - [  -0.0003547600000000,  0.0000548100000000, -0.0000278500000000 ]  - [   0.0063359400000000, -0.0022859600000000, -0.0004554700000000 ]  - [  -0.0005792300000000, -0.0001501700000000, -0.0001535800000000 ]  - [  -0.0005812800000000, -0.0001548100000000,  0.0001737200000000 ]  - [   0.0108136400000000, -0.0010769300000000, -0.0021435800000000 ]  - [   0.0013280700000000, -0.0005070000000000, -0.0011979300000000 ]  - [   0.0013024100000000, -0.0005044000000000,  0.0012055100000000 ]  - [   0.0006426900000000,  0.0000784900000000, -0.0001974800000000 ]  - [  -0.0006643500000000, -0.0000480200000000,  0.0001147800000000 ]  - [   0.0008047800000000, -0.0003838800000000, -0.0000274100000000 ]  - [  -0.0011517600000000,  0.0005159400000000, -0.0001658100000000 ]  - [   0.0018513700000000, -0.0032923000000000, -0.0023353800000000 ]  - [  -0.0003776100000000, -0.0003193500000000, -0.0004723400000000 ]  - [   0.0004226400000000,  0.0000212300000000,  0.0000490700000000 ]  - [  -0.0009081100000000,  0.0000896100000000,  0.0003639400000000 ]  - [  -0.0027839500000000,  0.0007508600000000, -0.0050056800000000 ]  - [   0.0008871200000000,  0.0002962600000000, -0.0003179700000000 ]  - [  -0.0009246200000000,  0.0000728700000000, -0.0003986400000000 ]  - [  -0.0003616200000000,  0.0000450600000000,  0.0000096100000000 ]  - [   0.0004430500000000, -0.0000112500000000, -0.0000661500000000 ]  - [  -0.0036743500000000, -0.0035724500000000, -0.0006301500000000 ]  - [   0.0001502400000000,  0.0001469900000000, -0.0000606000000000 ]  - [  -0.0038790400000000,  0.0001256800000000,  0.0000488200000000 ]  - [  -0.0001995400000000,  0.0006737400000000,  0.0004027100000000 ]  - [  -0.0041218000000000, -0.0036198900000000, -0.0035542200000000 ]  - [   0.0002708000000000,  0.0007438600000000, -0.0008306800000000 ]  - [  -0.0022627300000000,  0.0003844600000000, -0.0000800700000000 ]  - [   0.0107031600000000, -0.0010333600000000,  0.0023591800000000 ]  - [  -0.0002452000000000, -0.0003260900000000, -0.0003072200000000 ]  - [   0.0003509100000000,  0.0008513600000000,  0.0007960300000000 ]  - [   0.0003813600000000, -0.0001245800000000, -0.0001221700000000 ]  - [   0.0018769900000000, -0.0033407700000000,  0.0023548200000000 ]  - [  -0.0003638700000000, -0.0003125200000000,  0.0004775800000000 ]  - [   0.0003334200000000, -0.0001074400000000,  0.0000175400000000 ]  - [  -0.0022702700000000,  0.0003774300000000,  0.0001051800000000 ]  - [   0.0023570100000000, -0.0007155000000000, -0.0000430600000000 ]  - [  -0.0028127400000000,  0.0007912800000000,  0.0050423900000000 ]  - [  -0.0011161200000000,  0.0006674400000000,  0.0024128900000000 ]  - [   0.0023709000000000, -0.0007012200000000,  0.0000072700000000 ]  - [   0.0064028000000000, -0.0022353200000000,  0.0004667700000000 ]  - [  -0.0001019200000000, -0.0000465100000000,  0.0000204500000000 ]  - [  -0.0005790800000000,  0.0004811100000000, -0.0002454600000000 ]  - [   0.0000563500000000, -0.0010295400000000,  0.0001843200000000 ]  - [  -0.0005717900000000,  0.0004475100000000,  0.0002327700000000 ]  - [   0.0001042600000000,  0.0001726900000000,  0.0000869700000000 ]  - [  -0.0013458800000000,  0.0000963400000000, -0.0004143800000000 ]  - [   0.0001146900000000,  0.0000286000000000, -0.0003305500000000 ]  - [   0.0006803300000000,  0.0000607900000000,  0.0002160500000000 ]  - [   0.0082351000000000, -0.0005973200000000, -0.0011108100000000 ]  - [  -0.0005368800000000, -0.0000815300000000,  0.0002995300000000 ]  - [   0.0018052800000000, -0.0005397200000000,  0.0000479400000000 ]  - [   0.0018075600000000, -0.0005463200000000, -0.0000250200000000 ]  - [  -0.0003965600000000, -0.0000212800000000,  0.0000338500000000 ]  - [  -0.0008361100000000, -0.0001760000000000, -0.0001418300000000 ]  - [  -0.0008600400000000, -0.0001699100000000,  0.0001489100000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000, -0.0826011900000000 ]  - [   0.0014876800000000,  0.0005813300000000,  0.0016568600000000 ]  - [  -0.0004717100000000,  0.0002456400000000,  0.0006606600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001805100000000 ]  - [   0.0018581600000000, -0.0056018700000000, -0.0015062700000000 ]  - [   0.0002464200000000, -0.0004736300000000,  0.0006588900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0005674500000000 ]  - [  -0.0005781700000000, -0.0014794600000000,  0.0016575900000000 ]  - [   0.0005783400000000,  0.0003562600000000, -0.0007478700000000 ]  - [  -0.0003556100000000, -0.0005803100000000, -0.0007426100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000309800000000 ]  - [  -0.0055904800000000,  0.0018671500000000, -0.0014815300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005141300000000 ]  - [   0.0003556100000000,  0.0005803100000000, -0.0007426100000000 ]  - [  -0.0018581600000000,  0.0056018700000000, -0.0015062700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001844800000000 ]  - [   0.0004717100000000, -0.0002456400000000,  0.0006606600000000 ]  - [   0.0055904800000000, -0.0018671500000000, -0.0014815300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0054926100000000 ]  - [  -0.0005783400000000, -0.0003562600000000, -0.0007478700000000 ]  - [   0.0005781700000000,  0.0014794600000000,  0.0016575900000000 ]  - [  -0.0014876800000000, -0.0005813300000000,  0.0016568600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000350700000000 ]  - [  -0.0002464200000000,  0.0004736300000000,  0.0006588900000000 ]  - [  -0.0143245600000000, -0.0024101000000000, -0.0043785200000000 ]  - [   0.0001827400000000,  0.0002018300000000, -0.0007879500000000 ]  - [   0.0003235000000000, -0.0031082600000000,  0.0032254700000000 ]  - [   0.0023950600000000,  0.0142759900000000, -0.0043110000000000 ]  - [  -0.0023950600000000, -0.0142759900000000, -0.0043110000000000 ]  - [  -0.0003235000000000,  0.0031082600000000,  0.0032254700000000 ]  - [   0.0143245600000000,  0.0024101000000000, -0.0043785200000000 ]  - [  -0.0001827400000000, -0.0002018300000000, -0.0007879500000000 ]  - [  -0.0002035500000000,  0.0001544600000000,  0.0008019200000000 ]  - [   0.0030882600000000, -0.0003208800000000,  0.0032278300000000 ]  - [  -0.0002055200000000, -0.0001838200000000, -0.0007835200000000 ]  - [  -0.0001551500000000,  0.0002057500000000,  0.0007988500000000 ]  - [   0.0001551500000000, -0.0002057500000000,  0.0007988500000000 ]  - [   0.0002055200000000,  0.0001838200000000, -0.0007835200000000 ]  - [   0.0002035500000000, -0.0001544600000000,  0.0008019200000000 ]  - [  -0.0030882600000000,  0.0003208800000000,  0.0032278300000000 ]  - [   0.0008089700000000, -0.0008599100000000, -0.0003162100000000 ]  - [   0.0008611200000000, -0.0008097600000000, -0.0003178900000000 ]  - [  -0.0003213900000000, -0.0004837300000000,  0.0005854400000000 ]  - [  -0.0016680100000000, -0.0044181700000000, -0.0008139000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0016547800000000 ]  - [  -0.0008611200000000,  0.0008097600000000, -0.0003178900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000482000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0023896200000000 ]  - [   0.0016680100000000,  0.0044181700000000, -0.0008139000000000 ]  - [  -0.0008089700000000,  0.0008599100000000, -0.0003162100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0000526600000000 ]  - [   0.0003213900000000,  0.0004837300000000,  0.0005854400000000 ]  - [   0.0014005800000000, -0.0003382100000000,  0.0029584600000000 ]  - [   0.0003351900000000, -0.0013959000000000,  0.0029607600000000 ]  - [  -0.0044164500000000, -0.0016920000000000, -0.0007577700000000 ]  - [  -0.0004816100000000, -0.0003206600000000,  0.0005894500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0023936400000000 ]  - [  -0.0003351900000000,  0.0013959000000000,  0.0029607600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0305673400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0016552100000000 ]  - [   0.0004816100000000,  0.0003206600000000,  0.0005894500000000 ]  - [  -0.0014005800000000,  0.0003382100000000,  0.0029584600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0309797200000000 ]  - [   0.0044164500000000,  0.0016920000000000, -0.0007577700000000 ]  - [  -0.0003773100000000,  0.0002354200000000,  0.0008332900000000 ]  - [   0.0005170300000000,  0.0015959200000000,  0.0014052100000000 ]  - [  -0.0002181800000000,  0.0000689200000000, -0.0007876400000000 ]  - [  -0.0009198100000000,  0.0012296900000000, -0.0018441000000000 ]  - [  -0.0002731100000000, -0.0003411900000000, -0.0003585700000000 ]  - [  -0.0015825000000000, -0.0019572900000000,  0.0003417500000000 ]  - [   0.0002237500000000, -0.0003422000000000,  0.0008006300000000 ]  - [  -0.0001900300000000, -0.0004895600000000,  0.0010192500000000 ]  - [  -0.0002024700000000, -0.0001348600000000, -0.0000637900000000 ]  - [   0.0002195300000000, -0.0002793300000000, -0.0001308600000000 ]  - [   0.0001900300000000,  0.0004895600000000,  0.0010192500000000 ]  - [   0.0005437800000000, -0.0033833400000000,  0.0036395500000000 ]  - [  -0.0002237500000000,  0.0003422000000000,  0.0008006300000000 ]  - [  -0.0004717700000000, -0.0004655900000000, -0.0008765500000000 ]  - [  -0.0013359600000000,  0.0011939000000000,  0.0015937100000000 ]  - [  -0.0000976400000000,  0.0002280300000000, -0.0008196900000000 ]  - [   0.0011963900000000, -0.0009463600000000, -0.0018556000000000 ]  - [  -0.0000926400000000, -0.0002299500000000, -0.0006987500000000 ]  - [  -0.0004536300000000,  0.0004713100000000,  0.0001149300000000 ]  - [   0.0001520400000000, -0.0007537200000000, -0.0008440700000000 ]  - [   0.0000794300000000, -0.0000679200000000, -0.0001672200000000 ]  - [  -0.0007722500000000, -0.0010365400000000,  0.0008753100000000 ]  - [   0.0004399000000000, -0.0004874800000000,  0.0001260100000000 ]  - [  -0.0015739700000000, -0.0005284700000000,  0.0013843700000000 ]  - [   0.0002731100000000,  0.0003411900000000, -0.0003585700000000 ]  - [   0.0015825000000000,  0.0019572900000000,  0.0003417500000000 ]  - [   0.0010181400000000,  0.0007548800000000,  0.0008597000000000 ]  - [  -0.0001520400000000,  0.0007537200000000, -0.0008440700000000 ]  - [  -0.0000807300000000, -0.0000870400000000,  0.0001136400000000 ]  - [   0.0002024700000000,  0.0001348600000000, -0.0000637900000000 ]  - [   0.0002916800000000, -0.0001846800000000, -0.0001020700000000 ]  - [   0.0000807300000000,  0.0000870400000000,  0.0001136400000000 ]  - [  -0.0001999800000000, -0.0000810500000000, -0.0006726500000000 ]  - [   0.0021514200000000, -0.0005023500000000,  0.0085255400000000 ]  - [  -0.0012259100000000,  0.0013692200000000,  0.0015734900000000 ]  - [   0.0004911500000000,  0.0004966100000000, -0.0008676000000000 ]  - [   0.0012259100000000, -0.0013692200000000,  0.0015734900000000 ]  - [   0.0013359600000000, -0.0011939000000000,  0.0015937100000000 ]  - [  -0.0001994000000000,  0.0013489500000000, -0.0012080200000000 ]  - [  -0.0013620200000000,  0.0001666900000000, -0.0011740300000000 ]  - [   0.0003773100000000, -0.0002354200000000,  0.0008332900000000 ]  - [  -0.0000587100000000,  0.0000551300000000, -0.0001943000000000 ]  - [  -0.0005439800000000,  0.0020780000000000,  0.0085822800000000 ]  - [  -0.0000600300000000, -0.0000724500000000,  0.0001431600000000 ]  - [   0.0000600300000000,  0.0000724500000000,  0.0001431600000000 ]  - [  -0.0031692300000000,  0.0003788800000000,  0.0042502200000000 ]  - [  -0.0002799200000000, -0.0010679300000000,  0.0001142700000000 ]  - [   0.0002799200000000,  0.0010679300000000,  0.0001142700000000 ]  - [   0.0002452500000000,  0.0002849300000000, -0.0023813200000000 ]  - [   0.0002181800000000, -0.0000689200000000, -0.0007876400000000 ]  - [  -0.0005170300000000, -0.0015959200000000,  0.0014052100000000 ]  - [  -0.0004399000000000,  0.0004874800000000,  0.0001260100000000 ]  - [  -0.0019715700000000, -0.0015513800000000,  0.0003369400000000 ]  - [  -0.0003702000000000, -0.0002455000000000, -0.0003705600000000 ]  - [   0.0002804200000000,  0.0002736200000000, -0.0024103200000000 ]  - [   0.0007800100000000, -0.0001406000000000, -0.0008776100000000 ]  - [  -0.0010582200000000, -0.0003061400000000,  0.0001186900000000 ]  - [   0.0001994000000000, -0.0013489500000000, -0.0012080200000000 ]  - [  -0.0007800100000000,  0.0001406000000000, -0.0008776100000000 ]  - [   0.0000587100000000, -0.0000551300000000, -0.0001943000000000 ]  - [  -0.0002804200000000, -0.0002736200000000, -0.0024103200000000 ]  - [  -0.0010181400000000, -0.0007548800000000,  0.0008597000000000 ]  - [  -0.0003209400000000,  0.0005274700000000, -0.0008634900000000 ]  - [   0.0015739700000000,  0.0005284700000000,  0.0013843700000000 ]  - [   0.0004536300000000, -0.0004713100000000,  0.0001149300000000 ]  - [  -0.0021514200000000,  0.0005023500000000,  0.0085255400000000 ]  - [  -0.0011963900000000,  0.0009463600000000, -0.0018556000000000 ]  - [   0.0005002700000000,  0.0002139800000000,  0.0010479800000000 ]  - [   0.0031692300000000, -0.0003788800000000,  0.0042502200000000 ]  - [  -0.0004911500000000, -0.0004966100000000, -0.0008676000000000 ]  - [   0.0009198100000000, -0.0012296900000000, -0.0018441000000000 ]  - [   0.0000976400000000, -0.0002280300000000, -0.0008196900000000 ]  - [   0.0019715700000000,  0.0015513800000000,  0.0003369400000000 ]  - [   0.0003702000000000,  0.0002455000000000, -0.0003705600000000 ]  - [   0.0004717700000000,  0.0004655900000000, -0.0008765500000000 ]  - [  -0.0005002700000000, -0.0002139800000000,  0.0010479800000000 ]  - [  -0.0011908500000000, -0.0034520300000000, -0.0059370500000000 ]  - [   0.0010582200000000,  0.0003061400000000,  0.0001186900000000 ]  - [   0.0013620200000000, -0.0001666900000000, -0.0011740300000000 ]  - [   0.0011908500000000,  0.0034520300000000, -0.0059370500000000 ]  - [   0.0005439800000000, -0.0020780000000000,  0.0085822800000000 ]  - [   0.0000926400000000,  0.0002299500000000, -0.0006987500000000 ]  - [  -0.0005576100000000,  0.0003534800000000, -0.0008737700000000 ]  - [   0.0007722500000000,  0.0010365400000000,  0.0008753100000000 ]  - [   0.0005576100000000, -0.0003534800000000, -0.0008737700000000 ]  - [   0.0003209400000000, -0.0005274700000000, -0.0008634900000000 ]  - [  -0.0002195300000000,  0.0002793300000000, -0.0001308600000000 ]  - [  -0.0002916800000000,  0.0001846800000000, -0.0001020700000000 ]  - [  -0.0002452500000000, -0.0002849300000000, -0.0023813200000000 ]  - [  -0.0005437800000000,  0.0033833400000000,  0.0036395500000000 ]  - [   0.0001999800000000,  0.0000810500000000, -0.0006726500000000 ]  - [  -0.0034109000000000, -0.0011770900000000, -0.0058847300000000 ]  - [   0.0034109000000000,  0.0011770900000000, -0.0058847300000000 ]  - [  -0.0000794300000000,  0.0000679200000000, -0.0001672200000000 ]  - [  -0.0001046400000000, -0.0002127100000000, -0.0000945800000000 ]  - [   0.0001046400000000,  0.0002127100000000, -0.0000945800000000 ]- atom:   25  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0157107500000000, -0.0006574200000000, -0.0143820100000000 ]  - [   0.0032992300000000,  0.0002077200000000,  0.0003420600000000 ]  - [   0.0008009100000000,  0.0002759500000000,  0.0002158100000000 ]  - [   0.0155499200000000, -0.0006521400000000, -0.0142162800000000 ]  - [   0.0032259700000000, -0.0022605800000000, -0.0001707400000000 ]  - [   0.0011307400000000, -0.0001571700000000, -0.0002136100000000 ]  - [   0.0000294500000000, -0.0002664100000000,  0.0001835000000000 ]  - [   0.0007978200000000,  0.0002768800000000,  0.0002143400000000 ]  - [   0.0032286300000000, -0.0022437000000000, -0.0001701200000000 ]  - [   0.0011300300000000, -0.0001533800000000, -0.0002156700000000 ]  - [   0.0000240000000000, -0.0002619900000000,  0.0001822900000000 ]  - [   0.0032954500000000,  0.0002011800000000,  0.0003360800000000 ]  - [   0.0000168400000000, -0.0001797300000000, -0.0002043400000000 ]  - [  -0.0014607900000000, -0.0003201500000000, -0.0003485800000000 ]  - [  -0.0043812600000000,  0.0130372400000000, -0.0017702100000000 ]  - [   0.0000135400000000, -0.0001803700000000, -0.0002029900000000 ]  - [  -0.0007826300000000, -0.0003086300000000, -0.0001663700000000 ]  - [  -0.0069294400000000,  0.0023842200000000,  0.0013403000000000 ]  - [  -0.0003117700000000,  0.0004307400000000,  0.0031058200000000 ]  - [  -0.0043082800000000,  0.0129932900000000, -0.0017630500000000 ]  - [  -0.0007879600000000, -0.0003078000000000, -0.0001632500000000 ]  - [  -0.0069376800000000,  0.0024204800000000,  0.0012652400000000 ]  - [  -0.0003021900000000,  0.0004245500000000,  0.0030913900000000 ]  - [  -0.0014626400000000, -0.0003243000000000, -0.0003541900000000 ]  - [  -0.1674323200000000, -0.0058825200000000,  0.0058491600000000 ]  - [   0.0020322800000000,  0.0005538100000000,  0.0001848900000000 ]  - [   0.0016174700000000, -0.0043883700000000,  0.0025400900000000 ]  - [   0.0016152100000000, -0.0023521800000000, -0.0028807600000000 ]  - [  -0.0000282900000000,  0.0021602300000000, -0.0022729400000000 ]  - [  -0.0005400000000000,  0.0043786000000000,  0.0028798600000000 ]  - [   0.0117019700000000,  0.0015036900000000, -0.0020529800000000 ]  - [  -0.0024770800000000, -0.0020524300000000,  0.0005607500000000 ]  - [   0.0011345900000000, -0.0003076900000000,  0.0003091200000000 ]  - [  -0.0018831300000000,  0.0005610500000000, -0.0015033900000000 ]  - [   0.0016286500000000, -0.0043591500000000,  0.0025406800000000 ]  - [   0.0016330400000000, -0.0023479400000000, -0.0028701800000000 ]  - [  -0.0000112200000000,  0.0021511400000000, -0.0022614900000000 ]  - [  -0.0005240000000000,  0.0043683900000000,  0.0028715900000000 ]  - [  -0.0010864700000000, -0.0001855500000000,  0.0002630200000000 ]  - [   0.0023879700000000,  0.0002627600000000,  0.0005528500000000 ]  - [  -0.0019497000000000, -0.0005273300000000, -0.0000593000000000 ]  - [   0.0047929100000000,  0.0023489300000000,  0.0008257800000000 ]  - [  -0.0019527500000000, -0.0005210200000000, -0.0000674800000000 ]  - [   0.0004642600000000, -0.0123822000000000, -0.0000840900000000 ]  - [  -0.0000787200000000, -0.0002357400000000,  0.0008210400000000 ]  - [   0.0005750100000000, -0.0124146700000000, -0.0001250400000000 ]  - [   0.0002237100000000, -0.0003559200000000, -0.0001495900000000 ]  - [   0.0002168200000000, -0.0003570400000000, -0.0001480800000000 ]  - [   0.0047942800000000,  0.0023635600000000,  0.0008360200000000 ]  - [   0.0018317500000000, -0.0000782200000000, -0.0002982500000000 ]  - [  -0.0000752900000000, -0.0002342400000000,  0.0008211700000000 ]  - [   0.0018329600000000, -0.0000771500000000, -0.0002969200000000 ]  - [   0.0033389200000000,  0.0003431700000000, -0.0002082200000000 ]  - [  -0.0014986300000000,  0.0002931600000000,  0.0001768700000000 ]  - [   0.0033377300000000,  0.0003520300000000, -0.0002204600000000 ]  - [   0.0016514800000000, -0.0002524000000000,  0.0003554000000000 ]  - [   0.0274734500000000, -0.0084647400000000,  0.0207970200000000 ]  - [   0.0016493300000000, -0.0002552100000000,  0.0003582400000000 ]  - [   0.0005708000000000, -0.0000625100000000, -0.0021969900000000 ]  - [   0.0005836900000000, -0.0000633400000000, -0.0021912800000000 ]  - [  -0.0014905700000000,  0.0002970500000000,  0.0001774000000000 ]  - [  -0.0104159300000000, -0.0057796900000000, -0.0044532800000000 ]  - [   0.0277298700000000, -0.0084477900000000,  0.0209788200000000 ]  - [  -0.0103922400000000, -0.0057226900000000, -0.0043792000000000 ]  - [  -0.0008965500000000, -0.0016103300000000, -0.0003734200000000 ]  - [  -0.0003438200000000, -0.0003303000000000,  0.0003282200000000 ]  - [  -0.0012715800000000,  0.0005480600000000,  0.0019392900000000 ]  - [  -0.0021161100000000,  0.0002834000000000, -0.0006004100000000 ]  - [  -0.0017948400000000,  0.0005171800000000,  0.0003799000000000 ]  - [  -0.0031316400000000,  0.0002752700000000,  0.0002952200000000 ]  - [  -0.0008600100000000, -0.0000340400000000, -0.0000017600000000 ]  - [   0.0006676800000000, -0.0005180100000000,  0.0000693500000000 ]  - [  -0.0008494000000000, -0.0000640500000000,  0.0000120700000000 ]  - [  -0.0017515300000000,  0.0049643800000000,  0.0018310800000000 ]  - [  -0.0008588500000000,  0.0005089800000000,  0.0000297300000000 ]  - [  -0.0012762100000000,  0.0005665600000000,  0.0019222500000000 ]  - [   0.0009116600000000,  0.0004370600000000, -0.0000015900000000 ]  - [  -0.0014167000000000, -0.0007319500000000, -0.0001858900000000 ]  - [  -0.0031038900000000,  0.0002714100000000,  0.0003086000000000 ]  - [  -0.0005054100000000,  0.0000351800000000, -0.0003409800000000 ]  - [  -0.0011031000000000, -0.0002700700000000, -0.0001791600000000 ]  - [  -0.0006451200000000,  0.0000041700000000, -0.0000481000000000 ]  - [  -0.0020673400000000, -0.0008908900000000,  0.0001057200000000 ]  - [   0.0004719000000000, -0.0006369100000000, -0.0003952300000000 ]  - [  -0.0004930700000000,  0.0000257400000000, -0.0003116200000000 ]  - [  -0.0020984100000000, -0.0009107100000000,  0.0001165700000000 ]  - [  -0.0014324800000000, -0.0007599800000000, -0.0001740100000000 ]  - [  -0.0119161000000000,  0.0039250900000000,  0.0014086300000000 ]  - [   0.0021908200000000, -0.0003588500000000,  0.0001322100000000 ]  - [   0.0110459500000000, -0.0082005600000000,  0.0035194400000000 ]  - [  -0.0021289500000000,  0.0002472700000000, -0.0006070000000000 ]  - [  -0.0004815300000000,  0.0011399300000000, -0.0005952500000000 ]  - [   0.0004568200000000, -0.0006493000000000, -0.0004257000000000 ]  - [   0.0009043400000000,  0.0004660200000000,  0.0000196400000000 ]  - [  -0.0006356900000000,  0.0000337600000000, -0.0000325800000000 ]  - [  -0.0004706300000000,  0.0011479900000000, -0.0006251500000000 ]  - [   0.0003325300000000, -0.0003715900000000,  0.0004419700000000 ]  - [  -0.0032214400000000, -0.0005450700000000,  0.0008069200000000 ]  - [   0.0021911700000000, -0.0003192500000000,  0.0001101900000000 ]  - [  -0.0010742800000000, -0.0002613000000000, -0.0001679500000000 ]  - [  -0.0017781600000000,  0.0004893600000000,  0.0003693900000000 ]  - [   0.0111350300000000, -0.0082689300000000,  0.0035589700000000 ]  - [   0.0003072000000000, -0.0003824200000000,  0.0004283300000000 ]  - [  -0.0032258600000000, -0.0005684400000000,  0.0008097900000000 ]  - [  -0.0006816700000000,  0.0019119900000000, -0.0008502500000000 ]  - [  -0.0003352400000000, -0.0003422300000000,  0.0002968200000000 ]  - [  -0.0017536200000000,  0.0050029100000000,  0.0018411000000000 ]  - [  -0.0008495500000000,  0.0005205900000000,  0.0000611900000000 ]  - [   0.0006445000000000, -0.0005250200000000,  0.0001008400000000 ]  - [  -0.0119663000000000,  0.0039409200000000,  0.0014283000000000 ]  - [  -0.0008598300000000, -0.0016266100000000, -0.0003906700000000 ]  - [  -0.0006855900000000,  0.0019159400000000, -0.0008556900000000 ]  - [   0.0007343400000000, -0.0003406200000000, -0.0010161100000000 ]  - [  -0.0002840900000000, -0.0010886100000000,  0.0023646000000000 ]  - [   0.0001776500000000,  0.0008090100000000,  0.0003045500000000 ]  - [   0.0017341400000000,  0.0007765500000000, -0.0003545900000000 ]  - [   0.0011629000000000,  0.0017010600000000,  0.0013943000000000 ]  - [   0.0008992700000000, -0.0001051900000000,  0.0000842200000000 ]  - [   0.0038146300000000, -0.0010950600000000,  0.0030121900000000 ]  - [  -0.0011903800000000, -0.0001670900000000,  0.0003286300000000 ]  - [   0.0037988400000000, -0.0011178600000000,  0.0029916200000000 ]  - [  -0.0004800400000000,  0.0004763700000000,  0.0005970700000000 ]  - [   0.0010075300000000, -0.0000672800000000,  0.0005636000000000 ]  - [   0.0001644100000000,  0.0008246300000000,  0.0002759900000000 ]  - [  -0.0017500300000000,  0.0004131600000000, -0.0003162000000000 ]  - [   0.0051347300000000, -0.0000659900000000, -0.0028745000000000 ]  - [   0.0009299300000000, -0.0001179300000000,  0.0000951200000000 ]  - [   0.0384419200000000,  0.0131820000000000,  0.0052698200000000 ]  - [   0.0027653000000000,  0.0029796400000000,  0.0008910300000000 ]  - [   0.0148271400000000, -0.0018144100000000, -0.0103654400000000 ]  - [   0.0009995200000000,  0.0000210800000000,  0.0000886500000000 ]  - [  -0.0047811700000000, -0.0035231700000000, -0.0065450600000000 ]  - [   0.0412572300000000,  0.0142488000000000,  0.0059985400000000 ]  - [   0.0009669900000000,  0.0000030500000000,  0.0001019400000000 ]  - [   0.0051585500000000, -0.0000867400000000, -0.0028709000000000 ]  - [   0.0004960800000000,  0.0001897900000000, -0.0002955300000000 ]  - [  -0.0014332800000000,  0.0000851900000000,  0.0001778600000000 ]  - [  -0.0008346500000000,  0.0003275300000000, -0.0000609500000000 ]  - [   0.0017284900000000,  0.0007446800000000, -0.0003598500000000 ]  - [  -0.0017221600000000,  0.0060420200000000, -0.0079499400000000 ]  - [  -0.0047911300000000, -0.0035490600000000, -0.0065715200000000 ]  - [  -0.0017618100000000,  0.0004422200000000, -0.0002990600000000 ]  - [   0.0148939000000000, -0.0017697400000000, -0.0102604900000000 ]  - [  -0.0017144700000000,  0.0060956500000000, -0.0080226800000000 ]  - [  -0.0033369200000000, -0.0040507400000000,  0.0019578300000000 ]  - [   0.0006586100000000,  0.0002570600000000, -0.0000979100000000 ]  - [  -0.0014496000000000,  0.0001172400000000,  0.0001661600000000 ]  - [   0.0027947100000000,  0.0029627900000000,  0.0008852400000000 ]  - [   0.0011637700000000,  0.0016925600000000,  0.0013993800000000 ]  - [  -0.0008613900000000,  0.0003428800000000, -0.0000539800000000 ]  - [  -0.0033532100000000, -0.0040342100000000,  0.0019399400000000 ]  - [   0.0006466300000000,  0.0002266900000000, -0.0000880300000000 ]  - [  -0.0008167800000000,  0.0004212800000000, -0.0012554000000000 ]  - [  -0.0002597400000000, -0.0011013100000000,  0.0023428800000000 ]  - [  -0.0005110900000000,  0.0004652700000000,  0.0006119100000000 ]  - [   0.0010297300000000, -0.0000582500000000,  0.0005929900000000 ]  - [  -0.0011986500000000, -0.0001789100000000,  0.0003575500000000 ]  - [   0.0004799500000000,  0.0001979800000000, -0.0002664600000000 ]  - [   0.0007594100000000, -0.0003522600000000, -0.0010285600000000 ]  - [  -0.0008452500000000,  0.0004276300000000, -0.0012649900000000 ]- atom:   41  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0004774500000000, -0.0019092600000000,  0.0008103600000000 ]  - [   0.0007862000000000, -0.0000000400000000,  0.0003660700000000 ]  - [   0.0005885500000000, -0.0004965900000000,  0.0002545200000000 ]  - [   0.0000041300000000,  0.0003554300000000, -0.0003223500000000 ]  - [   0.0005869300000000,  0.0005004100000000,  0.0002562600000000 ]  - [   0.0007873000000000,  0.0000014400000000, -0.0000500800000000 ]  - [   0.0071093500000000, -0.0046041000000000, -0.0043918100000000 ]  - [   0.0029669900000000, -0.0004941800000000, -0.0013440400000000 ]  - [   0.0029552300000000,  0.0004864000000000, -0.0013352300000000 ]  - [   0.0049851600000000, -0.0000050700000000, -0.0006625100000000 ]  - [   0.0000590200000000,  0.0007747800000000,  0.0014023900000000 ]  - [   0.0012158400000000,  0.0000012700000000,  0.0001060700000000 ]  - [   0.0000608000000000, -0.0007718500000000,  0.0013936900000000 ]  - [  -0.0086753000000000, -0.0000480000000000,  0.0058498900000000 ]  - [  -0.0007898700000000, -0.0021827200000000,  0.0100046400000000 ]  - [   0.0071246700000000,  0.0046549200000000, -0.0044428200000000 ]  - [  -0.0007817500000000,  0.0021660400000000,  0.0100217300000000 ]  - [  -0.0144366100000000,  0.0000451100000000, -0.0049518700000000 ]  - [  -0.0000015100000000, -0.0003581800000000, -0.0003217200000000 ]  - [  -0.0003138200000000, -0.0008573500000000, -0.0004490300000000 ]  - [  -0.0003203300000000,  0.0008530200000000, -0.0004458900000000 ]  - [  -0.0004965100000000, -0.0000001600000000, -0.0001508400000000 ]  - [   0.0004857800000000,  0.0019158700000000,  0.0008085600000000 ]  - [  -0.0011240800000000,  0.0000001800000000, -0.0009737100000000 ]  - [  -0.0019480700000000, -0.0008265000000000,  0.0000614600000000 ]  - [   0.0033368600000000,  0.0001796400000000,  0.0003654200000000 ]  - [  -0.0000772100000000,  0.0002532500000000, -0.0003002000000000 ]  - [   0.0005725600000000,  0.0023642500000000,  0.0000608600000000 ]  - [   0.0276500000000000, -0.0124796100000000, -0.0043875800000000 ]  - [   0.0002156700000000, -0.0002958300000000,  0.0002096700000000 ]  - [   0.0018320200000000, -0.0003567000000000, -0.0002362600000000 ]  - [  -0.0104153900000000, -0.0001171800000000, -0.0084929500000000 ]  - [   0.0033412500000000, -0.0001762600000000,  0.0003499300000000 ]  - [  -0.0019515500000000,  0.0008300900000000,  0.0000675500000000 ]  - [   0.0275568900000000,  0.0123163300000000, -0.0044478200000000 ]  - [   0.0002199700000000,  0.0002949600000000,  0.0002135200000000 ]  - [  -0.0000729100000000, -0.0002522500000000, -0.0002997300000000 ]  - [   0.0005815300000000, -0.0023506300000000,  0.0000642800000000 ]  - [  -0.0103921800000000,  0.0000922400000000, -0.0084213700000000 ]  - [   0.0018346300000000,  0.0003560900000000, -0.0002371300000000 ]  - [  -0.2871480900000000,  0.0023647200000000, -0.0000213700000000 ]  - [   0.0013320300000000, -0.0002899600000000, -0.0006617000000000 ]  - [   0.0001850100000000, -0.0000028700000000, -0.0015113300000000 ]  - [  -0.0020998200000000, -0.0006532200000000,  0.0000159800000000 ]  - [   0.0008807500000000,  0.0000236500000000, -0.0016626700000000 ]  - [  -0.0056688200000000,  0.0057167700000000, -0.0063606900000000 ]  - [   0.0008943600000000, -0.0000135000000000, -0.0016582000000000 ]  - [   0.0054063100000000,  0.0064013800000000,  0.0062221500000000 ]  - [   0.0038860500000000,  0.0006438900000000,  0.0023763900000000 ]  - [   0.0025365300000000,  0.0000115200000000,  0.0002224400000000 ]  - [   0.0053814100000000, -0.0063431700000000,  0.0061622500000000 ]  - [   0.0015296300000000, -0.0000018900000000,  0.0001798000000000 ]  - [   0.0006498200000000, -0.0000016200000000,  0.0000005400000000 ]  - [  -0.0057356600000000, -0.0057288000000000, -0.0063887400000000 ]  - [   0.0047089600000000, -0.0000090600000000,  0.0015107300000000 ]  - [   0.0038940800000000, -0.0006564200000000,  0.0023765100000000 ]  - [   0.0008916100000000,  0.0023745800000000, -0.0023534600000000 ]  - [   0.0013319600000000,  0.0002920800000000, -0.0006613200000000 ]  - [   0.0008822300000000, -0.0023749000000000, -0.0023611700000000 ]  - [   0.0003462400000000,  0.0006590500000000,  0.0005176500000000 ]  - [  -0.0020893000000000,  0.0006488500000000,  0.0000198400000000 ]  - [  -0.0017156300000000,  0.0000016600000000,  0.0002213700000000 ]  - [   0.0003342200000000, -0.0006608900000000,  0.0005148100000000 ]  - [  -0.0018007800000000,  0.0000015100000000,  0.0002545400000000 ]  - [  -0.0008383700000000,  0.0008712300000000,  0.0006865200000000 ]  - [  -0.0057420300000000, -0.0026934100000000, -0.0014516500000000 ]  - [  -0.0002653300000000, -0.0003105000000000, -0.0000526300000000 ]  - [  -0.0004223700000000, -0.0000781200000000, -0.0000299300000000 ]  - [  -0.0009611500000000,  0.0001224900000000,  0.0001200000000000 ]  - [  -0.0018926300000000,  0.0006248300000000, -0.0005005600000000 ]  - [  -0.0021286600000000,  0.0005228000000000,  0.0001891400000000 ]  - [   0.0018547200000000, -0.0042445000000000, -0.0051687300000000 ]  - [  -0.0008728300000000,  0.0000311600000000, -0.0002525400000000 ]  - [   0.0003609400000000, -0.0012832500000000,  0.0015441700000000 ]  - [  -0.0023697600000000, -0.0010626400000000, -0.0018324800000000 ]  - [  -0.0009243700000000,  0.0007118900000000, -0.0000812200000000 ]  - [   0.0521552700000000, -0.0366865500000000, -0.0366289400000000 ]  - [  -0.0009538400000000, -0.0000933900000000,  0.0001112800000000 ]  - [  -0.0007639500000000,  0.0002222600000000,  0.0000835300000000 ]  - [  -0.0017526700000000, -0.0004735400000000,  0.0008968000000000 ]  - [  -0.0007884400000000, -0.0002302700000000,  0.0000750100000000 ]  - [  -0.0008823000000000, -0.0000574700000000, -0.0002561600000000 ]  - [  -0.0008399200000000, -0.0002824400000000,  0.0000613500000000 ]  - [   0.0002613500000000,  0.0000558900000000,  0.0004001800000000 ]  - [  -0.0023557200000000,  0.0010415800000000, -0.0017892300000000 ]  - [  -0.0023523100000000, -0.0004220800000000, -0.0003447700000000 ]  - [  -0.0013170400000000,  0.0000065800000000,  0.0000410700000000 ]  - [  -0.0011764600000000, -0.0005974600000000,  0.0009492600000000 ]  - [   0.0004605500000000, -0.0001197900000000,  0.0005413000000000 ]  - [   0.0005464700000000,  0.0004746000000000,  0.0002411300000000 ]  - [  -0.0059682400000000, -0.0017115300000000,  0.0005251000000000 ]  - [  -0.0004069700000000, -0.0005322500000000,  0.0004368500000000 ]  - [  -0.0013765200000000,  0.0043694400000000, -0.0012241700000000 ]  - [   0.0013817800000000,  0.0007345000000000,  0.0030287700000000 ]  - [  -0.0021242900000000, -0.0005042400000000,  0.0001992500000000 ]  - [  -0.0056914600000000,  0.0026953600000000, -0.0014627800000000 ]  - [   0.0007197500000000,  0.0002965900000000,  0.0001283200000000 ]  - [  -0.0014604500000000,  0.0000836500000000, -0.0000111800000000 ]  - [   0.0819398300000000, -0.0589800400000000,  0.0422616200000000 ]  - [  -0.0018733800000000, -0.0006160300000000, -0.0004894200000000 ]  - [  -0.0012998500000000, -0.0000471000000000,  0.0000241300000000 ]  - [   0.0060526600000000,  0.0000805800000000, -0.0013723000000000 ]  - [  -0.0029293400000000,  0.0029800100000000,  0.0073142100000000 ]  - [  -0.0004607000000000, -0.0000379400000000,  0.0000395800000000 ]  - [  -0.0028821700000000, -0.0029530200000000,  0.0072608200000000 ]  - [  -0.0003965100000000,  0.0005201200000000,  0.0004073200000000 ]  - [   0.0006750200000000,  0.0000112600000000, -0.0007409000000000 ]  - [  -0.0017491400000000,  0.0004776000000000,  0.0009120300000000 ]  - [  -0.0006453300000000,  0.0006304500000000,  0.0018833600000000 ]  - [  -0.0006596700000000,  0.0002362300000000, -0.0000793500000000 ]  - [  -0.0010275000000000, -0.0001750600000000, -0.0012684100000000 ]  - [   0.0007011600000000, -0.0002897100000000,  0.0001219800000000 ]  - [   0.0003429600000000,  0.0013012800000000,  0.0015628000000000 ]  - [   0.0001624000000000, -0.0002184200000000, -0.0001101000000000 ]  - [  -0.0013575100000000, -0.0044111300000000, -0.0011936100000000 ]  - [   0.0797801700000000,  0.0558284800000000,  0.0402810200000000 ]  - [   0.0013009700000000, -0.0003732500000000, -0.0003029400000000 ]  - [   0.0025903400000000, -0.0024992300000000,  0.0002468200000000 ]  - [   0.0006136000000000,  0.0000088800000000, -0.0000217900000000 ]  - [  -0.0006543800000000, -0.0002260900000000, -0.0001081500000000 ]  - [   0.0012110500000000, -0.0001805100000000,  0.0002303100000000 ]  - [  -0.0008099000000000, -0.0008678100000000,  0.0006841000000000 ]  - [   0.0004170500000000, -0.0012048000000000, -0.0006943100000000 ]  - [   0.0002460200000000, -0.0000450600000000,  0.0003733600000000 ]  - [  -0.0004529500000000,  0.0000159100000000,  0.0000407600000000 ]  - [   0.0013015600000000,  0.0004062200000000, -0.0003148900000000 ]  - [   0.0030126900000000,  0.0016358100000000,  0.0014505300000000 ]  - [   0.0008578600000000, -0.0002951100000000,  0.0008476500000000 ]  - [   0.0029680600000000, -0.0016510800000000,  0.0014475800000000 ]  - [   0.0012005500000000,  0.0001438400000000,  0.0002226900000000 ]  - [   0.0060884500000000, -0.0000730500000000, -0.0013827200000000 ]  - [  -0.0009189400000000, -0.0007126200000000, -0.0000574400000000 ]  - [   0.0004288000000000,  0.0011896900000000, -0.0006624900000000 ]  - [   0.0005223000000000, -0.0004778400000000,  0.0002476600000000 ]  - [   0.0013121900000000,  0.0003323800000000, -0.0007588700000000 ]  - [  -0.0006200400000000, -0.0006424400000000,  0.0018458900000000 ]  - [  -0.0059734300000000,  0.0016975800000000,  0.0005321400000000 ]  - [  -0.0023289400000000,  0.0004232900000000, -0.0003470800000000 ]  - [   0.0004627500000000,  0.0000992400000000,  0.0005353500000000 ]  - [  -0.0004099900000000, -0.0052943900000000,  0.0023770200000000 ]  - [  -0.0002720100000000,  0.0003038700000000, -0.0000757200000000 ]  - [  -0.0014726200000000, -0.0000545100000000, -0.0000030900000000 ]  - [   0.0006202800000000,  0.0000161500000000, -0.0000158900000000 ]  - [   0.0001768000000000,  0.0002260200000000, -0.0001394000000000 ]  - [  -0.0037963500000000,  0.0013841600000000, -0.0039024200000000 ]  - [   0.0013861200000000, -0.0007070100000000,  0.0030161800000000 ]  - [  -0.0004281600000000,  0.0001024900000000, -0.0000403900000000 ]  - [   0.0026309800000000,  0.0025171200000000,  0.0002637000000000 ]  - [   0.0013147400000000, -0.0003591400000000, -0.0007739500000000 ]  - [  -0.0008653700000000,  0.0002860000000000,  0.0000749000000000 ]  - [  -0.0002641500000000,  0.0000820400000000,  0.0002845300000000 ]  - [   0.0520848100000000,  0.0375860500000000, -0.0375292400000000 ]  - [  -0.0002365600000000, -0.0000906400000000,  0.0002930500000000 ]  - [  -0.0003906000000000,  0.0052956000000000,  0.0023421000000000 ]  - [  -0.0010545800000000,  0.0001733800000000, -0.0012649600000000 ]  - [   0.0008738500000000,  0.0003103400000000,  0.0008792000000000 ]  - [  -0.0011850200000000,  0.0005858300000000,  0.0009783500000000 ]  - [   0.0018220100000000,  0.0042421100000000, -0.0051071200000000 ]  - [   0.0006968800000000, -0.0000247500000000, -0.0007450900000000 ]  - [  -0.0038433500000000, -0.0013662300000000, -0.0039090500000000 ]- atom:   41  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0005640700000000,  0.0025276000000000, -0.0008573500000000 ]  - [   0.0000000000000000,  0.0000521600000000,  0.0000000000000000 ]  - [  -0.0004849500000000,  0.0008764300000000, -0.0002480100000000 ]  - [   0.0002460800000000,  0.0008765900000000, -0.0004826300000000 ]  - [   0.0004849500000000,  0.0008764300000000,  0.0002480100000000 ]  - [   0.0000000000000000,  0.0000486600000000,  0.0000000000000000 ]  - [  -0.0093923500000000, -0.0008215900000000,  0.0016885500000000 ]  - [  -0.0003363100000000, -0.0009155200000000,  0.0010351500000000 ]  - [   0.0003363100000000, -0.0009155200000000, -0.0010351500000000 ]  - [   0.0000000000000000, -0.0023946700000000,  0.0000000000000000 ]  - [   0.0010340000000000, -0.0009178300000000,  0.0003386600000000 ]  - [   0.0000000000000000,  0.0016582900000000,  0.0000000000000000 ]  - [  -0.0010340000000000, -0.0009178300000000, -0.0003386600000000 ]  - [   0.0000000000000000,  0.0309807600000000,  0.0000000000000000 ]  - [  -0.0016698000000000, -0.0008104900000000, -0.0094017800000000 ]  - [   0.0093923500000000, -0.0008215900000000, -0.0016885500000000 ]  - [   0.0016698000000000, -0.0008104900000000,  0.0094017800000000 ]  - [   0.0000000000000000,  0.0305672700000000,  0.0000000000000000 ]  - [  -0.0002460800000000,  0.0008765900000000,  0.0004826300000000 ]  - [  -0.0008617400000000,  0.0025204800000000,  0.0005715400000000 ]  - [   0.0008617400000000,  0.0025204800000000, -0.0005715400000000 ]  - [   0.0000000000000000,  0.0016547300000000,  0.0000000000000000 ]  - [   0.0005640700000000,  0.0025276000000000,  0.0008573500000000 ]  - [   0.0000000000000000, -0.0023897900000000,  0.0000000000000000 ]  - [  -0.0005204100000000,  0.0047902900000000, -0.0021855500000000 ]  - [  -0.0003475900000000, -0.0014967900000000,  0.0001505400000000 ]  - [   0.0008215700000000,  0.0016483600000000, -0.0000751300000000 ]  - [   0.0022042000000000,  0.0047999200000000, -0.0005267000000000 ]  - [  -0.0208843500000000,  0.0005419800000000,  0.0057626000000000 ]  - [  -0.0001456800000000, -0.0014921200000000, -0.0003472300000000 ]  - [  -0.0000780600000000,  0.0016540500000000, -0.0008204300000000 ]  - [   0.0057410100000000,  0.0005011900000000,  0.0208930000000000 ]  - [   0.0003475900000000, -0.0014967900000000, -0.0001505400000000 ]  - [   0.0005204100000000,  0.0047902900000000,  0.0021855500000000 ]  - [   0.0208843500000000,  0.0005419800000000, -0.0057626000000000 ]  - [   0.0001456800000000, -0.0014921200000000,  0.0003472300000000 ]  - [  -0.0008215700000000,  0.0016483600000000,  0.0000751300000000 ]  - [  -0.0022042000000000,  0.0047999200000000,  0.0005267000000000 ]  - [  -0.0057410100000000,  0.0005011900000000, -0.0208930000000000 ]  - [   0.0000780600000000,  0.0016540500000000,  0.0008204300000000 ]  - [   0.0000000000000000, -0.3935795500000000,  0.0000000000000000 ]  - [  -0.0010761600000000,  0.0013298300000000,  0.0005176800000000 ]  - [   0.0000000000000000,  0.0023996300000000,  0.0000000000000000 ]  - [   0.0019713000000000,  0.0038905900000000,  0.0016625400000000 ]  - [   0.0023530200000000, -0.0020924800000000, -0.0019670900000000 ]  - [   0.0025099000000000, -0.0056777000000000, -0.0061877000000000 ]  - [  -0.0023530200000000, -0.0020924800000000,  0.0019670900000000 ]  - [   0.0061991600000000, -0.0057260100000000,  0.0025263500000000 ]  - [  -0.0019731700000000, -0.0020960200000000, -0.0023610300000000 ]  - [   0.0000000000000000, -0.0000104300000000,  0.0000000000000000 ]  - [  -0.0061991600000000, -0.0057260100000000, -0.0025263500000000 ]  - [   0.0000000000000000, -0.0013854800000000,  0.0000000000000000 ]  - [   0.0000000000000000,  0.0013147000000000,  0.0000000000000000 ]  - [  -0.0025099000000000, -0.0056777000000000,  0.0061877000000000 ]  - [   0.0000000000000000,  0.0024094400000000,  0.0000000000000000 ]  - [   0.0019731700000000, -0.0020960200000000,  0.0023610300000000 ]  - [   0.0016534600000000,  0.0038895000000000, -0.0019659300000000 ]  - [   0.0010761600000000,  0.0013298300000000, -0.0005176800000000 ]  - [  -0.0016534600000000,  0.0038895000000000,  0.0019659300000000 ]  - [   0.0005176700000000,  0.0013333600000000,  0.0010768700000000 ]  - [  -0.0019713000000000,  0.0038905900000000, -0.0016625400000000 ]  - [   0.0000000000000000, -0.0000045200000000,  0.0000000000000000 ]  - [  -0.0005176700000000,  0.0013333600000000, -0.0010768700000000 ]  - [   0.0000000000000000,  0.0067781500000000,  0.0000000000000000 ]  - [   0.0010982400000000, -0.0013034500000000, -0.0007072300000000 ]  - [   0.0003308200000000,  0.0060495600000000,  0.0001846400000000 ]  - [  -0.0000545800000000, -0.0000930700000000, -0.0002119200000000 ]  - [  -0.0004098100000000, -0.0006744900000000,  0.0000145200000000 ]  - [  -0.0002040300000000,  0.0007648500000000,  0.0000898000000000 ]  - [   0.0005678700000000, -0.0002104800000000,  0.0006731200000000 ]  - [   0.0008665000000000,  0.0005179000000000,  0.0001412800000000 ]  - [  -0.0036938800000000,  0.0051304400000000, -0.0004599400000000 ]  - [  -0.0000628200000000,  0.0007261400000000, -0.0001979500000000 ]  - [  -0.0007807000000000,  0.0004914100000000,  0.0012757300000000 ]  - [  -0.0012514700000000,  0.0004915000000000, -0.0007897100000000 ]  - [   0.0002821100000000, -0.0031107500000000,  0.0004744800000000 ]  - [  -0.0404999600000000,  0.0854085000000000,  0.0576633000000000 ]  - [   0.0002040300000000,  0.0007648500000000, -0.0000898000000000 ]  - [   0.0003879900000000, -0.0012216800000000,  0.0000421100000000 ]  - [  -0.0010907900000000,  0.0015273000000000,  0.0002269600000000 ]  - [  -0.0003879900000000, -0.0012216800000000, -0.0000421100000000 ]  - [   0.0000628200000000,  0.0007261400000000,  0.0001979500000000 ]  - [   0.0002131100000000, -0.0001212600000000, -0.0000576200000000 ]  - [  -0.0004330000000000,  0.0017157800000000,  0.0005932700000000 ]  - [   0.0012514700000000,  0.0004915000000000,  0.0007897100000000 ]  - [   0.0005888600000000,  0.0017400500000000,  0.0004404200000000 ]  - [   0.0006295500000000, -0.0006916200000000,  0.0000928700000000 ]  - [  -0.0005797200000000, -0.0006871800000000,  0.0008445100000000 ]  - [   0.0005235200000000, -0.0013605500000000, -0.0001401700000000 ]  - [   0.0005019900000000, -0.0031067500000000, -0.0003078700000000 ]  - [  -0.0036008700000000, -0.0005427000000000,  0.0013822200000000 ]  - [  -0.0006786100000000, -0.0001871500000000,  0.0005741200000000 ]  - [   0.0067047300000000, -0.0025775100000000,  0.0025518800000000 ]  - [  -0.0013930000000000, -0.0005181300000000, -0.0036067200000000 ]  - [  -0.0008665000000000,  0.0005179000000000, -0.0001412800000000 ]  - [  -0.0003308200000000,  0.0060495600000000, -0.0001846400000000 ]  - [   0.0008738000000000, -0.0006673100000000,  0.0005823100000000 ]  - [   0.0001544900000000, -0.0013466000000000,  0.0005355900000000 ]  - [  -0.0545058600000000,  0.0832064600000000, -0.0385192500000000 ]  - [  -0.0005678700000000, -0.0002104800000000, -0.0006731200000000 ]  - [  -0.0006295500000000, -0.0006916200000000, -0.0000928700000000 ]  - [  -0.0025456000000000, -0.0025958300000000,  0.0066565500000000 ]  - [   0.0004501200000000,  0.0051149600000000, -0.0036758100000000 ]  - [  -0.0000054100000000, -0.0007040900000000,  0.0004065100000000 ]  - [  -0.0004501200000000,  0.0051149600000000,  0.0036758100000000 ]  - [   0.0006786100000000, -0.0001871500000000, -0.0005741200000000 ]  - [  -0.0006976600000000, -0.0018613500000000, -0.0000564100000000 ]  - [   0.0010907900000000,  0.0015273000000000, -0.0002269600000000 ]  - [   0.0033574800000000, -0.0006801400000000, -0.0034493600000000 ]  - [   0.0001556100000000, -0.0009398300000000,  0.0002275700000000 ]  - [   0.0002353500000000,  0.0015241000000000,  0.0011172900000000 ]  - [  -0.0008738000000000, -0.0006673100000000, -0.0005823100000000 ]  - [   0.0007807000000000,  0.0004914100000000, -0.0012757300000000 ]  - [   0.0000460100000000, -0.0012552300000000, -0.0003906100000000 ]  - [  -0.0067047300000000, -0.0025775100000000, -0.0025518800000000 ]  - [   0.0545058600000000,  0.0832064600000000,  0.0385192500000000 ]  - [  -0.0002796100000000, -0.0041980400000000,  0.0001773000000000 ]  - [   0.0019186600000000, -0.0044317400000000,  0.0026850300000000 ]  - [   0.0000814200000000, -0.0006820100000000, -0.0006049600000000 ]  - [  -0.0001556100000000, -0.0009398300000000, -0.0002275700000000 ]  - [  -0.0001755100000000, -0.0041772000000000, -0.0003079600000000 ]  - [  -0.0010982400000000, -0.0013034500000000,  0.0007072300000000 ]  - [  -0.0006711300000000, -0.0013130800000000, -0.0010983800000000 ]  - [   0.0004330000000000,  0.0017157800000000, -0.0005932700000000 ]  - [   0.0000054100000000, -0.0007040900000000, -0.0004065100000000 ]  - [   0.0002796100000000, -0.0041980400000000, -0.0001773000000000 ]  - [  -0.0001738700000000,  0.0060629200000000,  0.0003316900000000 ]  - [  -0.0000491400000000, -0.0018451700000000,  0.0006682100000000 ]  - [   0.0001738700000000,  0.0060629200000000, -0.0003316900000000 ]  - [   0.0001755100000000, -0.0041772000000000,  0.0003079600000000 ]  - [   0.0025456000000000, -0.0025958300000000, -0.0066565500000000 ]  - [  -0.0002821100000000, -0.0031107500000000, -0.0004744800000000 ]  - [   0.0006711300000000, -0.0013130800000000,  0.0010983800000000 ]  - [  -0.0005019900000000, -0.0031067500000000,  0.0003078700000000 ]  - [  -0.0001199400000000,  0.0005064600000000,  0.0008717100000000 ]  - [  -0.0033574800000000, -0.0006801400000000,  0.0034493600000000 ]  - [   0.0036008700000000, -0.0005427000000000, -0.0013822200000000 ]  - [  -0.0005888600000000,  0.0017400500000000, -0.0004404200000000 ]  - [  -0.0005235200000000, -0.0013605500000000,  0.0001401700000000 ]  - [  -0.0026822500000000, -0.0044302400000000,  0.0019444400000000 ]  - [   0.0000545800000000, -0.0000930700000000,  0.0002119200000000 ]  - [  -0.0001544900000000, -0.0013466000000000, -0.0005355900000000 ]  - [  -0.0000814200000000, -0.0006820100000000,  0.0006049600000000 ]  - [  -0.0000460100000000, -0.0012552300000000,  0.0003906100000000 ]  - [   0.0034702600000000, -0.0006853300000000,  0.0033468800000000 ]  - [   0.0013930000000000, -0.0005181300000000,  0.0036067200000000 ]  - [   0.0004098100000000, -0.0006744900000000, -0.0000145200000000 ]  - [  -0.0019186600000000, -0.0044317400000000, -0.0026850300000000 ]  - [   0.0001199400000000,  0.0005064600000000, -0.0008717100000000 ]  - [  -0.0002131100000000, -0.0001212600000000,  0.0000576200000000 ]  - [   0.0002287200000000, -0.0009416200000000, -0.0001266500000000 ]  - [   0.0404999600000000,  0.0854085000000000, -0.0576633000000000 ]  - [  -0.0002287200000000, -0.0009416200000000,  0.0001266500000000 ]  - [   0.0026822500000000, -0.0044302400000000, -0.0019444400000000 ]  - [  -0.0002353500000000,  0.0015241000000000, -0.0011172900000000 ]  - [   0.0000491400000000, -0.0018451700000000, -0.0006682100000000 ]  - [   0.0005797200000000, -0.0006871800000000, -0.0008445100000000 ]  - [   0.0036938800000000,  0.0051304400000000,  0.0004599400000000 ]  - [   0.0006976600000000, -0.0018613500000000,  0.0000564100000000 ]  - [  -0.0034702600000000, -0.0006853300000000, -0.0033468800000000 ]- atom:   65  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0013963600000000, -0.0000152900000000, -0.0003556500000000 ]  - [   0.0001305500000000,  0.0003420400000000,  0.0004571400000000 ]  - [   0.0013869700000000,  0.0000393400000000, -0.0000615100000000 ]  - [   0.0013211500000000,  0.0007781100000000, -0.0002914200000000 ]  - [  -0.0059062600000000,  0.0000269500000000, -0.0000364100000000 ]  - [   0.0000505700000000, -0.0007673900000000,  0.0035940700000000 ]  - [   0.0063875300000000,  0.0035452300000000, -0.0005284600000000 ]  - [  -0.0001838500000000, -0.0000230400000000,  0.0000192600000000 ]  - [   0.0010368500000000,  0.0000839900000000, -0.0000791700000000 ]  - [   0.0002549200000000, -0.0012182200000000, -0.0008624600000000 ]  - [  -0.0013224400000000, -0.0000443100000000,  0.0001998700000000 ]  - [  -0.0004019400000000,  0.0015677000000000, -0.0033076700000000 ]  - [   0.0006626400000000,  0.0000095000000000,  0.0002622500000000 ]  - [  -0.0024908300000000,  0.0013574700000000,  0.0014046300000000 ]  - [  -0.0008069300000000,  0.0000910800000000, -0.0001129400000000 ]  - [  -0.0008452400000000, -0.0000714500000000, -0.0001149100000000 ]  - [   0.0001325700000000,  0.0002215700000000,  0.0001610000000000 ]  - [  -0.0002326300000000, -0.0004832200000000,  0.0000886500000000 ]  - [  -0.0005233000000000,  0.0000701900000000,  0.0002123500000000 ]  - [   0.0042210800000000, -0.0009612900000000, -0.0020889000000000 ]  - [  -0.0008551500000000,  0.0000298700000000,  0.0003786200000000 ]  - [  -0.0001768000000000, -0.0004757900000000, -0.0005091700000000 ]  - [   0.0008715400000000, -0.0006502300000000,  0.0001775700000000 ]  - [  -0.0003698500000000,  0.0003589300000000, -0.0002610300000000 ]  - [  -0.0008740800000000, -0.0019400300000000, -0.0007593000000000 ]  - [  -0.0017587900000000, -0.0079721000000000,  0.0000830800000000 ]  - [  -0.0020853200000000, -0.0002436100000000,  0.0003379800000000 ]  - [  -0.0031169500000000,  0.0004525200000000, -0.0005719400000000 ]  - [  -0.0010883000000000, -0.0000469200000000, -0.0002802700000000 ]  - [  -0.0008484300000000, -0.0000179500000000,  0.0003263200000000 ]  - [  -0.0006860200000000,  0.0065531700000000,  0.0016936800000000 ]  - [  -0.0033433700000000,  0.0023639000000000, -0.0003407100000000 ]  - [   0.0007476400000000, -0.0002908000000000, -0.0002673300000000 ]  - [  -0.0004933000000000, -0.0006097600000000,  0.0007498100000000 ]  - [   0.0009857300000000,  0.0005560700000000,  0.0000845900000000 ]  - [   0.0009148300000000,  0.0004305600000000, -0.0000477500000000 ]  - [   0.0027909400000000, -0.0011168100000000,  0.0014351000000000 ]  - [   0.0110268700000000,  0.0017945500000000, -0.0056262000000000 ]  - [  -0.0008297400000000,  0.0004093100000000,  0.0005025000000000 ]  - [   0.0003181700000000,  0.0003127500000000,  0.0001019400000000 ]  - [  -0.0008222200000000,  0.0010991100000000,  0.0006804600000000 ]  - [   0.0832302700000000, -0.0361264300000000, -0.0558092300000000 ]  - [  -0.0010432000000000,  0.0002287100000000, -0.0009052000000000 ]  - [  -0.0041953200000000, -0.0001596000000000, -0.0003897800000000 ]  - [  -0.0007773600000000, -0.0001250900000000,  0.0003868800000000 ]  - [   0.0005178300000000,  0.0005146200000000, -0.0003453800000000 ]  - [   0.0060816000000000,  0.0012012900000000, -0.0025399500000000 ]  - [  -0.0023404100000000, -0.0003873100000000, -0.0005954200000000 ]  - [  -0.0013615400000000, -0.0000693100000000, -0.0001060300000000 ]  - [  -0.0029161800000000, -0.0004487100000000, -0.0051258500000000 ]  - [   0.0026118700000000,  0.0023579500000000,  0.0019257300000000 ]  - [   0.0007108800000000, -0.0008623200000000,  0.0009633200000000 ]  - [   0.0003439600000000,  0.0007875500000000,  0.0018098100000000 ]  - [  -0.0006891400000000,  0.0000284800000000,  0.0000900200000000 ]  - [   0.0006813900000000,  0.0006848200000000, -0.0008625500000000 ]  - [   0.0007437200000000,  0.0000446500000000,  0.0001051200000000 ]  - [   0.0029976100000000, -0.0014483300000000, -0.0001693300000000 ]  - [  -0.0006906400000000, -0.0000019300000000, -0.0000286700000000 ]  - [  -0.0008541700000000,  0.0000630800000000, -0.0002096600000000 ]  - [   0.0005360600000000,  0.0000722600000000,  0.0004908100000000 ]  - [  -0.0005118200000000,  0.0007157100000000,  0.0016985600000000 ]  - [  -0.0002502200000000, -0.0002288600000000, -0.0000929600000000 ]  - [  -0.0018853900000000,  0.0004194400000000,  0.0005729100000000 ]  - [  -0.0038202800000000, -0.0034606300000000,  0.0018679200000000 ]  - [  -0.1227709800000000,  0.0399491200000000,  0.0789275000000000 ]  - [   0.0007328100000000,  0.0002069900000000,  0.0002274100000000 ]  - [  -0.0004372200000000, -0.0001697800000000, -0.0001934600000000 ]  - [   0.0011933000000000, -0.0010147400000000, -0.0018106600000000 ]  - [  -0.0006891700000000,  0.0002254500000000, -0.0002005300000000 ]  - [   0.0004917300000000, -0.0014721800000000, -0.0004670500000000 ]  - [   0.0036456200000000,  0.0058730900000000,  0.0033598300000000 ]  - [   0.0017349800000000, -0.0001093300000000, -0.0002485700000000 ]  - [   0.0002952500000000,  0.0014490200000000, -0.0014982800000000 ]  - [  -0.0005760100000000, -0.0002270500000000,  0.0002627200000000 ]  - [   0.0021901300000000,  0.0008080300000000,  0.0007022400000000 ]  - [   0.0007733700000000, -0.0001738500000000,  0.0003163900000000 ]  - [   0.0008800700000000, -0.0012813600000000, -0.0006161500000000 ]  - [   0.0002463200000000,  0.0002734400000000, -0.0002943100000000 ]  - [   0.0108359100000000, -0.0133567700000000, -0.0033038300000000 ]  - [   0.0002589000000000,  0.0000242200000000, -0.0000083200000000 ]  - [   0.0001960200000000, -0.0001521900000000,  0.0004157800000000 ]  - [  -0.0005139200000000,  0.0001895900000000, -0.0004768100000000 ]  - [   0.0108425400000000,  0.0054074500000000, -0.0104843900000000 ]  - [   0.0004827700000000,  0.0000017600000000, -0.0000423300000000 ]  - [  -0.0014557800000000,  0.0000648500000000, -0.0007056700000000 ]  - [   0.0004176900000000,  0.0013814800000000,  0.0002491200000000 ]  - [  -0.0023525600000000, -0.0009715400000000,  0.0042887400000000 ]  - [  -0.0021553200000000, -0.0004683900000000,  0.0006878500000000 ]  - [  -0.0002286700000000, -0.0000443700000000,  0.0021454000000000 ]  - [   0.0034597200000000,  0.0016127600000000,  0.0008184200000000 ]  - [  -0.0008088900000000, -0.0002231600000000,  0.0002290400000000 ]  - [   0.0006899500000000,  0.0001949500000000, -0.0003535900000000 ]  - [  -0.0007197500000000, -0.0041740800000000, -0.0050802800000000 ]  - [   0.0008343100000000, -0.0001329700000000,  0.0005640500000000 ]  - [   0.0005647400000000,  0.0005603700000000,  0.0015154200000000 ]  - [  -0.0014450800000000, -0.0008790300000000, -0.0000396800000000 ]  - [  -0.0008027200000000, -0.0001779700000000, -0.0011574500000000 ]  - [   0.0002803600000000, -0.0012069900000000,  0.0012651200000000 ]  - [   0.0007647200000000, -0.0003568900000000, -0.0000251400000000 ]  - [  -0.0002652600000000, -0.0001648900000000, -0.0001030700000000 ]  - [   0.0018755900000000,  0.0000824100000000,  0.0017289600000000 ]  - [   0.0000659800000000,  0.0002611400000000,  0.0000370500000000 ]  - [   0.0003966800000000, -0.0000147700000000,  0.0001260700000000 ]  - [  -0.0004016100000000, -0.0005601500000000, -0.0011959600000000 ]  - [  -0.0003281500000000, -0.0008228300000000,  0.0002524100000000 ]  - [  -0.0020495000000000,  0.0008414200000000,  0.0000889400000000 ]  - [   0.0021133900000000,  0.0001046100000000, -0.0002230700000000 ]  - [  -0.0032293800000000,  0.0005775200000000, -0.0003945900000000 ]  - [   0.0017156600000000, -0.0082692000000000,  0.0076325700000000 ]  - [   0.0020858000000000, -0.0008381100000000, -0.0008189400000000 ]  - [   0.0007617400000000, -0.0000041700000000, -0.0002143400000000 ]  - [   0.0020501100000000, -0.0000962500000000,  0.0004631000000000 ]  - [   0.0003636400000000, -0.0000080100000000, -0.0002230000000000 ]  - [  -0.0005140200000000, -0.0001585600000000, -0.0003766900000000 ]  - [   0.0012311500000000, -0.0002400900000000,  0.0002181900000000 ]  - [  -0.0001697200000000, -0.0003167500000000, -0.0001366000000000 ]  - [   0.0028123700000000, -0.0003786800000000, -0.0009281700000000 ]  - [   0.0004101900000000, -0.0001778200000000, -0.0007488500000000 ]  - [   0.0002725200000000,  0.0001539900000000, -0.0001533600000000 ]  - [  -0.0005765600000000,  0.0000643900000000, -0.0002483800000000 ]  - [   0.0002822000000000,  0.0014542300000000, -0.0011897300000000 ]  - [   0.0007008000000000, -0.0000638000000000, -0.0000237900000000 ]  - [  -0.0003732200000000,  0.0000388800000000, -0.0003545300000000 ]  - [  -0.0008460800000000, -0.0008655000000000,  0.0010173300000000 ]  - [   0.0001470600000000, -0.0004737300000000, -0.0006906200000000 ]  - [   0.0069110000000000,  0.0050928400000000, -0.0049197900000000 ]  - [   0.0003336900000000, -0.0002674500000000, -0.0000759200000000 ]  - [  -0.0010753700000000,  0.0026938700000000,  0.0003844400000000 ]  - [   0.0001879100000000, -0.0008504300000000,  0.0001910900000000 ]  - [   0.0011189100000000,  0.0012149000000000,  0.0003960200000000 ]  - [   0.0003333500000000,  0.0002337200000000, -0.0001287300000000 ]  - [  -0.0030497700000000,  0.0012635500000000,  0.0009736100000000 ]  - [   0.0013176200000000,  0.0000276000000000,  0.0003549300000000 ]  - [   0.0004864500000000,  0.0003063400000000, -0.0004693600000000 ]  - [   0.0004611400000000,  0.0000425400000000,  0.0000587500000000 ]  - [   0.0006844200000000, -0.0000607500000000, -0.0002521400000000 ]  - [   0.0003171900000000, -0.0000964400000000,  0.0002611700000000 ]  - [  -0.0003866500000000,  0.0001664600000000,  0.0000813000000000 ]  - [   0.0009943900000000,  0.0001951700000000,  0.0000617700000000 ]  - [  -0.0005524500000000,  0.0001386000000000,  0.0000082900000000 ]  - [   0.0004508300000000, -0.0001735700000000, -0.0002738100000000 ]  - [  -0.0005506600000000, -0.0001283100000000,  0.0003472100000000 ]  - [  -0.0001119600000000,  0.0003030500000000,  0.0004448700000000 ]  - [   0.0008797200000000,  0.0001111100000000, -0.0000928500000000 ]  - [   0.0007434400000000,  0.0000159200000000,  0.0002981300000000 ]  - [   0.0000713400000000, -0.0001911600000000,  0.0001671300000000 ]  - [  -0.0008666000000000,  0.0000063300000000, -0.0006873200000000 ]  - [   0.0031454800000000, -0.0004180000000000,  0.0002595500000000 ]  - [  -0.0000963700000000, -0.0000354300000000, -0.0000191100000000 ]  - [   0.0000706300000000,  0.0000022300000000, -0.0003160500000000 ]  - [  -0.0093565100000000, -0.0006437500000000, -0.0025927900000000 ]  - [   0.0006008400000000, -0.0003015800000000, -0.0003852000000000 ]  - [   0.0005297600000000, -0.0000062500000000, -0.0000998700000000 ]  - [   0.0005664500000000,  0.0000360700000000, -0.0000345700000000 ]  - [  -0.0004548800000000, -0.0001171600000000,  0.0000206400000000 ]  - [   0.0006150100000000,  0.0001421400000000,  0.0000099600000000 ]  - [   0.0003095200000000, -0.0000132900000000, -0.0000410200000000 ]  - [   0.0000403600000000, -0.0006321700000000, -0.0008202300000000 ]  - [   0.0014682700000000,  0.0008795500000000, -0.0045977000000000 ]  - [  -0.0004249800000000, -0.0000372000000000, -0.0002005700000000 ]- atom:   65  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0013945800000000,  0.0000120800000000,  0.0003575500000000 ]  - [  -0.0001314500000000, -0.0003401300000000, -0.0004577800000000 ]  - [  -0.0013944000000000, -0.0000430700000000,  0.0000583000000000 ]  - [  -0.0013152900000000, -0.0007579900000000,  0.0002885300000000 ]  - [   0.0059162000000000, -0.0000285800000000,  0.0000337800000000 ]  - [  -0.0000553100000000,  0.0007642600000000, -0.0036033500000000 ]  - [  -0.0063515000000000, -0.0035838600000000,  0.0005233600000000 ]  - [   0.0001827400000000,  0.0000214200000000, -0.0000209900000000 ]  - [  -0.0010382100000000, -0.0000870000000000,  0.0000804500000000 ]  - [  -0.0002582300000000,  0.0012162700000000,  0.0008637100000000 ]  - [   0.0013232600000000,  0.0000467500000000, -0.0001994200000000 ]  - [   0.0003929400000000, -0.0015697700000000,  0.0033199200000000 ]  - [  -0.0006619700000000, -0.0000124300000000, -0.0002632300000000 ]  - [   0.0024861100000000, -0.0013515600000000, -0.0013863700000000 ]  - [   0.0008096400000000, -0.0000913900000000,  0.0001139000000000 ]  - [   0.0008432600000000,  0.0000717500000000,  0.0001188700000000 ]  - [  -0.0001307800000000, -0.0002199600000000, -0.0001604700000000 ]  - [   0.0002358800000000,  0.0004809400000000, -0.0000884000000000 ]  - [   0.0005220500000000, -0.0000710000000000, -0.0002131400000000 ]  - [  -0.0036663100000000,  0.0011565300000000,  0.0024072300000000 ]  - [   0.0008588400000000, -0.0000294500000000, -0.0003774800000000 ]  - [   0.0001805200000000,  0.0004716100000000,  0.0004996000000000 ]  - [  -0.0008685600000000,  0.0006577600000000, -0.0001797500000000 ]  - [   0.0003713200000000, -0.0003572600000000,  0.0002610500000000 ]  - [   0.0008822900000000,  0.0019235500000000,  0.0007608100000000 ]  - [   0.0017497700000000,  0.0079989500000000, -0.0000717300000000 ]  - [   0.0020810600000000,  0.0002409200000000, -0.0003462000000000 ]  - [   0.0031167200000000, -0.0004502900000000,  0.0005799100000000 ]  - [   0.0010865600000000,  0.0000489100000000,  0.0002829600000000 ]  - [   0.0008464600000000,  0.0000218700000000, -0.0003273100000000 ]  - [   0.0006828100000000, -0.0065640400000000, -0.0016995500000000 ]  - [   0.0033441700000000, -0.0023436000000000,  0.0003370900000000 ]  - [  -0.0007481900000000,  0.0002903200000000,  0.0002651700000000 ]  - [   0.0004991300000000,  0.0006103300000000, -0.0007450300000000 ]  - [  -0.0009835400000000, -0.0005562800000000, -0.0000857600000000 ]  - [  -0.0009141500000000, -0.0004248400000000,  0.0000458100000000 ]  - [  -0.0027697000000000,  0.0010963600000000, -0.0014028200000000 ]  - [  -0.0111535300000000, -0.0017887600000000,  0.0056273500000000 ]  - [   0.0008359600000000, -0.0004122900000000, -0.0005042000000000 ]  - [  -0.0003245900000000, -0.0003091700000000, -0.0001022200000000 ]  - [   0.0008257000000000, -0.0010982400000000, -0.0006802300000000 ]  - [  -0.0853806300000000,  0.0381727000000000,  0.0590006700000000 ]  - [   0.0010413000000000, -0.0002234600000000,  0.0008981600000000 ]  - [   0.0041761800000000,  0.0001604700000000,  0.0003897000000000 ]  - [   0.0007769900000000,  0.0001267000000000, -0.0003945900000000 ]  - [  -0.0005119700000000, -0.0005138200000000,  0.0003483300000000 ]  - [  -0.0060628600000000, -0.0012108100000000,  0.0025514100000000 ]  - [   0.0023421100000000,  0.0003889900000000,  0.0005967700000000 ]  - [   0.0013597000000000,  0.0000691500000000,  0.0001093200000000 ]  - [   0.0028965400000000,  0.0004601200000000,  0.0051519600000000 ]  - [  -0.0026125900000000, -0.0023614100000000, -0.0019367300000000 ]  - [  -0.0007130900000000,  0.0008624500000000, -0.0009665900000000 ]  - [  -0.0003543100000000, -0.0007858700000000, -0.0018126900000000 ]  - [   0.0006898200000000, -0.0000278100000000, -0.0000912300000000 ]  - [  -0.0006858700000000, -0.0006847900000000,  0.0008666400000000 ]  - [  -0.0007465400000000, -0.0000455700000000, -0.0001058200000000 ]  - [  -0.0029849000000000,  0.0014677600000000,  0.0001879100000000 ]  - [   0.0006873300000000, -0.0000013100000000,  0.0000290100000000 ]  - [   0.0008522600000000, -0.0000646700000000,  0.0002115400000000 ]  - [  -0.0005344100000000, -0.0000674400000000, -0.0004919600000000 ]  - [   0.0005357100000000, -0.0007255200000000, -0.0017095200000000 ]  - [   0.0002510700000000,  0.0002284900000000,  0.0000904200000000 ]  - [   0.0018797100000000, -0.0004246100000000, -0.0005749700000000 ]  - [   0.0038182100000000,  0.0034542100000000, -0.0018598200000000 ]  - [   0.1246025500000000, -0.0421326400000000, -0.0826234700000000 ]  - [  -0.0007442700000000, -0.0001981100000000, -0.0002022500000000 ]  - [   0.0004463500000000,  0.0001544700000000,  0.0002187800000000 ]  - [  -0.0011800300000000,  0.0010425500000000,  0.0018234000000000 ]  - [   0.0006862700000000, -0.0002030200000000,  0.0002109900000000 ]  - [  -0.0005141100000000,  0.0014844100000000,  0.0004616800000000 ]  - [  -0.0036532400000000, -0.0058996900000000, -0.0034061300000000 ]  - [  -0.0017242900000000,  0.0001136200000000,  0.0002233800000000 ]  - [  -0.0002873900000000, -0.0014761600000000,  0.0015080500000000 ]  - [   0.0006021800000000,  0.0002390200000000, -0.0002765500000000 ]  - [  -0.0022018500000000, -0.0008206600000000, -0.0007316000000000 ]  - [  -0.0007781300000000,  0.0001839800000000, -0.0003413000000000 ]  - [  -0.0008784500000000,  0.0012543300000000,  0.0006001100000000 ]  - [  -0.0002398500000000, -0.0002538300000000,  0.0002876800000000 ]  - [  -0.0109485400000000,  0.0135349300000000,  0.0033413500000000 ]  - [  -0.0002654400000000, -0.0000197400000000, -0.0000117000000000 ]  - [  -0.0002127300000000,  0.0001466100000000, -0.0004227100000000 ]  - [   0.0005103700000000, -0.0002111400000000,  0.0004722400000000 ]  - [  -0.0109432500000000, -0.0054557300000000,  0.0106500700000000 ]  - [  -0.0004725600000000,  0.0000099600000000,  0.0000693400000000 ]  - [   0.0014657000000000, -0.0000705200000000,  0.0007321500000000 ]  - [  -0.0004378200000000, -0.0013900600000000, -0.0002448800000000 ]  - [   0.0023667000000000,  0.0009417500000000, -0.0042878700000000 ]  - [   0.0021716400000000,  0.0004551100000000, -0.0007193900000000 ]  - [   0.0002257900000000,  0.0000176800000000, -0.0021163400000000 ]  - [  -0.0034047100000000, -0.0016011800000000, -0.0008175000000000 ]  - [   0.0008011000000000,  0.0001962200000000, -0.0002416500000000 ]  - [  -0.0007018100000000, -0.0002052900000000,  0.0003819100000000 ]  - [   0.0006810000000000,  0.0041685900000000,  0.0050411200000000 ]  - [  -0.0008422800000000,  0.0001537700000000, -0.0005544100000000 ]  - [  -0.0005535100000000, -0.0005317100000000, -0.0015028000000000 ]  - [   0.0014565200000000,  0.0008935900000000,  0.0000199200000000 ]  - [   0.0008222000000000,  0.0001940700000000,  0.0011699000000000 ]  - [  -0.0002694000000000,  0.0012374100000000, -0.0012827200000000 ]  - [  -0.0007733000000000,  0.0003808300000000,  0.0000145700000000 ]  - [   0.0002922000000000,  0.0001728500000000,  0.0001146000000000 ]  - [  -0.0018581800000000, -0.0001147000000000, -0.0017508400000000 ]  - [  -0.0000948200000000, -0.0002450600000000, -0.0000302400000000 ]  - [  -0.0004234000000000,  0.0000066400000000, -0.0001383800000000 ]  - [   0.0003993700000000,  0.0005285200000000,  0.0012115000000000 ]  - [   0.0003523800000000,  0.0008176700000000, -0.0002421300000000 ]  - [   0.0020585000000000, -0.0008422800000000, -0.0001109800000000 ]  - [  -0.0021326000000000, -0.0001114400000000,  0.0002278800000000 ]  - [   0.0032416900000000, -0.0005650500000000,  0.0004087600000000 ]  - [  -0.0017475700000000,  0.0082056600000000, -0.0075583200000000 ]  - [  -0.0020967300000000,  0.0008471200000000,  0.0008446000000000 ]  - [  -0.0007373000000000, -0.0000063100000000,  0.0002080800000000 ]  - [  -0.0020698700000000,  0.0001038000000000, -0.0004660900000000 ]  - [  -0.0003905700000000,  0.0000197500000000,  0.0002344900000000 ]  - [   0.0004962100000000,  0.0001632200000000,  0.0003988700000000 ]  - [  -0.0012232100000000,  0.0002253300000000, -0.0001980400000000 ]  - [   0.0001766300000000,  0.0003412200000000,  0.0001447800000000 ]  - [  -0.0028132200000000,  0.0003994000000000,  0.0009273900000000 ]  - [  -0.0004427200000000,  0.0001897200000000,  0.0007426800000000 ]  - [  -0.0002797600000000, -0.0001303700000000,  0.0001445300000000 ]  - [   0.0005920100000000, -0.0000603600000000,  0.0002246300000000 ]  - [  -0.0002764200000000, -0.0014712900000000,  0.0011898100000000 ]  - [  -0.0006777800000000,  0.0000681900000000,  0.0000137000000000 ]  - [   0.0003591000000000, -0.0000493900000000,  0.0003297100000000 ]  - [   0.0008341600000000,  0.0008717100000000, -0.0010366000000000 ]  - [  -0.0001335600000000,  0.0004476200000000,  0.0006818700000000 ]  - [  -0.0068730200000000, -0.0050288600000000,  0.0048487000000000 ]  - [  -0.0003073100000000,  0.0002581600000000,  0.0000883700000000 ]  - [   0.0010447500000000, -0.0026788400000000, -0.0004149600000000 ]  - [  -0.0002186300000000,  0.0008336100000000, -0.0002003400000000 ]  - [  -0.0011259200000000, -0.0012323900000000, -0.0004055800000000 ]  - [  -0.0003086900000000, -0.0002212500000000,  0.0001203600000000 ]  - [   0.0030640300000000, -0.0012918600000000, -0.0009386500000000 ]  - [  -0.0013091900000000, -0.0000346400000000, -0.0003288300000000 ]  - [  -0.0005180700000000, -0.0003184600000000,  0.0004803900000000 ]  - [  -0.0004704800000000, -0.0000669600000000, -0.0000488400000000 ]  - [  -0.0006788000000000,  0.0000545900000000,  0.0002298000000000 ]  - [  -0.0003034700000000,  0.0000688000000000, -0.0002530500000000 ]  - [   0.0004120200000000, -0.0001763800000000, -0.0000874700000000 ]  - [  -0.0009986900000000, -0.0002168000000000, -0.0000666200000000 ]  - [   0.0005389000000000, -0.0001536700000000,  0.0000154000000000 ]  - [  -0.0004581200000000,  0.0001645900000000,  0.0002533100000000 ]  - [   0.0005430200000000,  0.0001547700000000, -0.0003358200000000 ]  - [   0.0001194800000000, -0.0002754500000000, -0.0004336300000000 ]  - [  -0.0008653000000000, -0.0001019000000000,  0.0000680500000000 ]  - [  -0.0007225200000000, -0.0000083300000000, -0.0002914200000000 ]  - [  -0.0000656200000000,  0.0002106100000000, -0.0001675600000000 ]  - [   0.0008656100000000,  0.0000193900000000,  0.0006765700000000 ]  - [  -0.0031027700000000,  0.0004167700000000, -0.0002539100000000 ]  - [   0.0001027500000000,  0.0000129900000000,  0.0000103400000000 ]  - [  -0.0000898200000000,  0.0000058200000000,  0.0003265500000000 ]  - [   0.0093505900000000,  0.0005809800000000,  0.0024812600000000 ]  - [  -0.0006128100000000,  0.0002737700000000,  0.0003918300000000 ]  - [  -0.0005077700000000,  0.0000001400000000,  0.0001078900000000 ]  - [  -0.0005601700000000, -0.0000404300000000,  0.0000117200000000 ]  - [   0.0004323100000000,  0.0001103800000000, -0.0000101900000000 ]  - [  -0.0006082000000000, -0.0001332400000000,  0.0000128400000000 ]  - [  -0.0003139900000000,  0.0000042400000000,  0.0000626900000000 ]  - [  -0.0000488300000000,  0.0006382400000000,  0.0008437400000000 ]  - [  -0.0014438200000000, -0.0009135900000000,  0.0046562300000000 ]  - [   0.0004005500000000,  0.0000460700000000,  0.0001933800000000 ]- atom:   65  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0002834100000000, -0.0002795100000000,  0.0002273000000000 ]  - [   0.0000714000000000, -0.0008692600000000, -0.0002355400000000 ]  - [   0.0005244100000000,  0.0008015500000000, -0.0001245300000000 ]  - [  -0.0005049500000000, -0.0027883500000000, -0.0010672000000000 ]  - [   0.0011735900000000,  0.0023664400000000, -0.0005499200000000 ]  - [  -0.0001803800000000,  0.0008642700000000,  0.0006315800000000 ]  - [   0.0023102700000000, -0.0041086700000000, -0.0021625300000000 ]  - [  -0.0000614800000000, -0.0003572500000000,  0.0000250600000000 ]  - [  -0.0004927900000000, -0.0022585400000000, -0.0000234600000000 ]  - [  -0.0008171900000000, -0.0018465300000000, -0.0007888300000000 ]  - [  -0.0001086900000000,  0.0001185000000000,  0.0002871000000000 ]  - [   0.0018487600000000,  0.0003414600000000,  0.0023415200000000 ]  - [   0.0000704800000000,  0.0004257000000000,  0.0002813400000000 ]  - [   0.0009860300000000,  0.0015755800000000, -0.0004939800000000 ]  - [   0.0002239900000000, -0.0006541000000000,  0.0001197600000000 ]  - [  -0.0001754900000000,  0.0001107000000000, -0.0002079200000000 ]  - [   0.0000749800000000, -0.0006486700000000, -0.0001477800000000 ]  - [  -0.0003128800000000, -0.0008677400000000,  0.0000262700000000 ]  - [   0.0000722100000000, -0.0001119700000000, -0.0000843700000000 ]  - [  -0.0004140500000000,  0.0082513300000000,  0.0010720000000000 ]  - [  -0.0001485900000000,  0.0003317100000000,  0.0000833000000000 ]  - [  -0.0004121400000000,  0.0001224200000000, -0.0001726200000000 ]  - [  -0.0002986100000000, -0.0011213500000000,  0.0013632800000000 ]  - [   0.0004737700000000, -0.0003655900000000,  0.0004043800000000 ]  - [  -0.0016218600000000, -0.0012688200000000, -0.0003596500000000 ]  - [  -0.0049660800000000, -0.0017406000000000,  0.0028568900000000 ]  - [   0.0001085600000000,  0.0006513200000000, -0.0001707700000000 ]  - [  -0.0003020300000000,  0.0009086900000000, -0.0000656900000000 ]  - [   0.0001716300000000, -0.0008544400000000, -0.0001919000000000 ]  - [  -0.0000600900000000, -0.0006370800000000, -0.0000319100000000 ]  - [   0.0019163800000000, -0.0047777700000000, -0.0013972500000000 ]  - [   0.0040306500000000, -0.0002713200000000,  0.0001154000000000 ]  - [  -0.0003460500000000,  0.0001683800000000, -0.0005992700000000 ]  - [  -0.0004703700000000, -0.0004740100000000,  0.0001812100000000 ]  - [   0.0000952400000000, -0.0032130700000000, -0.0005168600000000 ]  - [  -0.0000887600000000, -0.0017523600000000,  0.0005107200000000 ]  - [  -0.0008809700000000,  0.0037999300000000, -0.0039223300000000 ]  - [   0.0035718400000000,  0.0147929100000000, -0.0138010700000000 ]  - [   0.0004244600000000,  0.0004612700000000, -0.0003692200000000 ]  - [   0.0003791300000000, -0.0003369600000000,  0.0001744100000000 ]  - [   0.0008642700000000, -0.0013025400000000, -0.0011948700000000 ]  - [  -0.0400007300000000,  0.0520730600000000,  0.0417604400000000 ]  - [  -0.0001733500000000,  0.0015252700000000,  0.0004721200000000 ]  - [  -0.0001784300000000,  0.0012006200000000,  0.0003052800000000 ]  - [  -0.0000794200000000,  0.0001681700000000, -0.0000463600000000 ]  - [   0.0008616400000000, -0.0021236000000000,  0.0007593700000000 ]  - [  -0.0013798900000000, -0.0013719000000000,  0.0066608000000000 ]  - [  -0.0003463700000000,  0.0002508600000000, -0.0004372900000000 ]  - [  -0.0001441200000000, -0.0014660000000000,  0.0005368300000000 ]  - [  -0.0029724800000000,  0.0051040200000000, -0.0042402400000000 ]  - [  -0.0002557100000000, -0.0004039900000000, -0.0026728200000000 ]  - [  -0.0002903800000000, -0.0006770400000000,  0.0005910000000000 ]  - [   0.0012933700000000,  0.0004974600000000, -0.0010498300000000 ]  - [  -0.0000071000000000, -0.0004570100000000, -0.0000360600000000 ]  - [  -0.0000124300000000, -0.0018530300000000,  0.0003023300000000 ]  - [  -0.0000745900000000, -0.0008778400000000, -0.0001094800000000 ]  - [  -0.0014519300000000, -0.0057266700000000, -0.0003349600000000 ]  - [   0.0000895300000000,  0.0006131700000000, -0.0000303000000000 ]  - [   0.0000674100000000, -0.0002678000000000,  0.0000532700000000 ]  - [   0.0002432400000000, -0.0009209900000000, -0.0002935900000000 ]  - [  -0.0013846800000000,  0.0013776200000000,  0.0005281100000000 ]  - [  -0.0000880500000000, -0.0009365900000000, -0.0002342100000000 ]  - [   0.0004917800000000, -0.0003999000000000, -0.0006762500000000 ]  - [  -0.0013730200000000, -0.0006757600000000,  0.0006358200000000 ]  - [   0.0414232800000000, -0.0846558000000000, -0.0365733100000000 ]  - [   0.0003592500000000,  0.0003098700000000,  0.0002192900000000 ]  - [  -0.0000026400000000,  0.0009899200000000,  0.0000779800000000 ]  - [  -0.0002861000000000, -0.0008285400000000,  0.0000270200000000 ]  - [   0.0001760700000000,  0.0007503600000000, -0.0003578500000000 ]  - [  -0.0004888100000000,  0.0018479900000000,  0.0000708100000000 ]  - [   0.0084296000000000,  0.0036544900000000,  0.0038302200000000 ]  - [  -0.0006981800000000,  0.0002358600000000,  0.0000498200000000 ]  - [   0.0004706700000000,  0.0002720500000000, -0.0009064900000000 ]  - [   0.0002472200000000,  0.0012866000000000, -0.0004343900000000 ]  - [   0.0009334800000000, -0.0005109000000000, -0.0000753600000000 ]  - [  -0.0002810800000000, -0.0001049700000000, -0.0001542200000000 ]  - [  -0.0020707300000000,  0.0008667900000000,  0.0010179300000000 ]  - [   0.0002350000000000,  0.0004664600000000, -0.0001074000000000 ]  - [  -0.0106027000000000,  0.0046736800000000,  0.0029964200000000 ]  - [   0.0001960200000000,  0.0000421700000000,  0.0001242900000000 ]  - [  -0.0002090800000000, -0.0003774900000000, -0.0001618600000000 ]  - [   0.0000885700000000,  0.0000592400000000, -0.0000888200000000 ]  - [   0.0033640800000000, -0.0050011000000000, -0.0030043800000000 ]  - [  -0.0000571300000000,  0.0001513700000000, -0.0000392100000000 ]  - [   0.0004999800000000, -0.0005132600000000,  0.0008251800000000 ]  - [   0.0007315000000000,  0.0014185200000000, -0.0002912600000000 ]  - [  -0.0014155600000000, -0.0030672800000000,  0.0002798800000000 ]  - [  -0.0001880800000000,  0.0018880800000000,  0.0004503600000000 ]  - [   0.0009288700000000, -0.0014589700000000,  0.0001509200000000 ]  - [   0.0008255300000000, -0.0002562500000000,  0.0000489500000000 ]  - [   0.0003612700000000,  0.0012130200000000, -0.0000112200000000 ]  - [   0.0000974700000000, -0.0003636700000000, -0.0000088800000000 ]  - [  -0.0012218500000000, -0.0016095900000000,  0.0048525900000000 ]  - [  -0.0005215000000000, -0.0005317800000000, -0.0007816200000000 ]  - [   0.0007595800000000, -0.0003828600000000,  0.0014981900000000 ]  - [   0.0001473200000000,  0.0015277600000000,  0.0021036900000000 ]  - [   0.0001974700000000, -0.0009738800000000,  0.0007683600000000 ]  - [  -0.0003830700000000,  0.0011321200000000, -0.0008666700000000 ]  - [  -0.0004062000000000,  0.0007070900000000,  0.0000961300000000 ]  - [   0.0001182800000000,  0.0005683300000000,  0.0000512400000000 ]  - [   0.0004514600000000, -0.0020654800000000, -0.0002407100000000 ]  - [  -0.0003306100000000,  0.0013249800000000,  0.0000721900000000 ]  - [  -0.0000011000000000,  0.0002269500000000,  0.0000951700000000 ]  - [  -0.0007610400000000,  0.0005401400000000,  0.0010743900000000 ]  - [  -0.0008042200000000,  0.0030327700000000, -0.0005318000000000 ]  - [   0.0002370400000000, -0.0021975500000000, -0.0017517100000000 ]  - [  -0.0001204400000000, -0.0004283500000000, -0.0000868900000000 ]  - [   0.0012850300000000,  0.0025659200000000, -0.0026553800000000 ]  - [  -0.0072963700000000,  0.0051173900000000, -0.0081853200000000 ]  - [  -0.0012730500000000,  0.0002882500000000,  0.0006469000000000 ]  - [   0.0000154200000000,  0.0004184800000000, -0.0001320000000000 ]  - [  -0.0001129900000000, -0.0005218800000000,  0.0000368100000000 ]  - [  -0.0000253500000000,  0.0002486400000000,  0.0000396200000000 ]  - [   0.0003106400000000,  0.0005913100000000,  0.0009387300000000 ]  - [   0.0000113200000000, -0.0005358700000000,  0.0002487800000000 ]  - [  -0.0000096700000000,  0.0007865300000000,  0.0002785000000000 ]  - [   0.0008069000000000, -0.0004925100000000, -0.0003128800000000 ]  - [   0.0002340400000000, -0.0008995500000000,  0.0002914700000000 ]  - [   0.0000948400000000,  0.0002856600000000, -0.0000259400000000 ]  - [  -0.0003057000000000,  0.0002354600000000, -0.0001265500000000 ]  - [   0.0004753900000000,  0.0002745000000000, -0.0002362700000000 ]  - [   0.0000787300000000, -0.0003566400000000,  0.0000390500000000 ]  - [   0.0002321000000000,  0.0004791400000000, -0.0000456800000000 ]  - [  -0.0000302500000000,  0.0013441000000000, -0.0018269200000000 ]  - [  -0.0002981400000000,  0.0001241600000000,  0.0003062200000000 ]  - [   0.0029716800000000, -0.0006946600000000, -0.0012230900000000 ]  - [  -0.0001097000000000,  0.0002305300000000, -0.0000124000000000 ]  - [   0.0019724400000000,  0.0025798300000000,  0.0005666300000000 ]  - [  -0.0004288000000000,  0.0009917700000000, -0.0001584300000000 ]  - [   0.0003816200000000,  0.0002596100000000, -0.0001122300000000 ]  - [   0.0000939900000000,  0.0004659100000000,  0.0000139100000000 ]  - [   0.0002660600000000,  0.0053675500000000, -0.0043041800000000 ]  - [   0.0000703700000000,  0.0004796200000000,  0.0000578900000000 ]  - [   0.0004503800000000, -0.0001214700000000, -0.0000697300000000 ]  - [   0.0000404000000000,  0.0004630500000000, -0.0000567600000000 ]  - [  -0.0000358800000000, -0.0002067600000000,  0.0000453800000000 ]  - [  -0.0001386400000000,  0.0008595200000000, -0.0000250500000000 ]  - [   0.0000944800000000,  0.0004419600000000,  0.0003378000000000 ]  - [   0.0000340000000000, -0.0004510300000000,  0.0000011700000000 ]  - [   0.0006467400000000,  0.0024459000000000, -0.0006717000000000 ]  - [  -0.0001063100000000,  0.0004671500000000,  0.0002799700000000 ]  - [  -0.0005281500000000,  0.0008506100000000, -0.0004074200000000 ]  - [   0.0003420000000000,  0.0006190000000000,  0.0004502400000000 ]  - [  -0.0000226200000000, -0.0001512500000000,  0.0002421500000000 ]  - [   0.0000012300000000,  0.0005576500000000, -0.0000176000000000 ]  - [  -0.0000902900000000, -0.0004998000000000, -0.0000317600000000 ]  - [  -0.0006076400000000, -0.0005333600000000,  0.0006421100000000 ]  - [  -0.0002426500000000, -0.0016829500000000, -0.0001229900000000 ]  - [  -0.0002304200000000,  0.0005512000000000, -0.0000364000000000 ]  - [   0.0000217700000000, -0.0006034200000000,  0.0000696600000000 ]  - [   0.0006015400000000,  0.0028719800000000,  0.0184608800000000 ]  - [  -0.0003414300000000, -0.0001306500000000,  0.0005711200000000 ]  - [   0.0000093900000000, -0.0002018800000000,  0.0000643400000000 ]  - [   0.0000342700000000,  0.0004249900000000,  0.0000006200000000 ]  - [   0.0001035900000000,  0.0003909100000000, -0.0001333600000000 ]  - [   0.0001093700000000,  0.0000435300000000, -0.0000077900000000 ]  - [  -0.0001244800000000,  0.0001914000000000,  0.0000051700000000 ]  - [  -0.0005547500000000,  0.0002932700000000,  0.0008529600000000 ]  - [   0.0009036400000000,  0.0009836600000000, -0.0034171100000000 ]  - [  -0.0000552700000000,  0.0007968800000000,  0.0000938900000000 ]- atom:   65  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0002843200000000,  0.0002822400000000, -0.0002285500000000 ]  - [  -0.0000691300000000,  0.0008741500000000,  0.0002347800000000 ]  - [  -0.0005260200000000, -0.0008038000000000,  0.0001227600000000 ]  - [   0.0005094400000000,  0.0028040300000000,  0.0010633300000000 ]  - [  -0.0011939300000000, -0.0023589500000000,  0.0005413700000000 ]  - [   0.0001799300000000, -0.0008720800000000, -0.0006099400000000 ]  - [  -0.0022087800000000,  0.0035924000000000,  0.0020603800000000 ]  - [   0.0000621800000000,  0.0003576900000000, -0.0000244400000000 ]  - [   0.0005020000000000,  0.0022666500000000,  0.0000206800000000 ]  - [   0.0008253900000000,  0.0018499300000000,  0.0007898400000000 ]  - [   0.0001048800000000, -0.0001218800000000, -0.0002861100000000 ]  - [  -0.0018457100000000, -0.0003334500000000, -0.0023441600000000 ]  - [  -0.0000687500000000, -0.0004300400000000, -0.0002797700000000 ]  - [  -0.0009963000000000, -0.0015891400000000,  0.0004991200000000 ]  - [  -0.0002270000000000,  0.0006552800000000, -0.0001218600000000 ]  - [   0.0001736200000000, -0.0001129100000000,  0.0002100800000000 ]  - [  -0.0000754700000000,  0.0006525500000000,  0.0001508100000000 ]  - [   0.0003096100000000,  0.0008720200000000, -0.0000248300000000 ]  - [  -0.0000744900000000,  0.0001134200000000,  0.0000862800000000 ]  - [   0.0005111000000000, -0.0082571300000000, -0.0010366800000000 ]  - [   0.0001497000000000, -0.0003322900000000, -0.0000829400000000 ]  - [   0.0004118600000000, -0.0001205700000000,  0.0001731300000000 ]  - [   0.0002951700000000,  0.0011251000000000, -0.0013532800000000 ]  - [  -0.0004766500000000,  0.0003667900000000, -0.0004057500000000 ]  - [   0.0016155800000000,  0.0012799600000000,  0.0003558000000000 ]  - [   0.0049985400000000,  0.0016983600000000, -0.0028857400000000 ]  - [  -0.0001140600000000, -0.0006526300000000,  0.0001714900000000 ]  - [   0.0003054100000000, -0.0009081400000000,  0.0000638200000000 ]  - [  -0.0001748100000000,  0.0008589500000000,  0.0001929800000000 ]  - [   0.0000578800000000,  0.0006422900000000,  0.0000317100000000 ]  - [  -0.0019113600000000,  0.0047963100000000,  0.0013967600000000 ]  - [  -0.0040525200000000,  0.0002692900000000, -0.0001268100000000 ]  - [   0.0003518400000000, -0.0001733400000000,  0.0006040200000000 ]  - [   0.0004723300000000,  0.0004773500000000, -0.0001782000000000 ]  - [  -0.0000927200000000,  0.0032333800000000,  0.0005266500000000 ]  - [   0.0000884300000000,  0.0017589300000000, -0.0005178400000000 ]  - [   0.0008933000000000, -0.0038117100000000,  0.0039447500000000 ]  - [  -0.0035063000000000, -0.0149273200000000,  0.0136117000000000 ]  - [  -0.0004275500000000, -0.0004678600000000,  0.0003747300000000 ]  - [  -0.0003784200000000,  0.0003425700000000, -0.0001689400000000 ]  - [  -0.0008733000000000,  0.0013133800000000,  0.0012038700000000 ]  - [   0.0389913100000000, -0.0521705300000000, -0.0407628600000000 ]  - [   0.0001720100000000, -0.0015343200000000, -0.0004748000000000 ]  - [   0.0001781300000000, -0.0012091900000000, -0.0003101300000000 ]  - [   0.0000778100000000, -0.0001722700000000,  0.0000456600000000 ]  - [  -0.0008757900000000,  0.0021334400000000, -0.0007734500000000 ]  - [   0.0013768800000000,  0.0013590900000000, -0.0066954200000000 ]  - [   0.0003449100000000, -0.0002584800000000,  0.0004316200000000 ]  - [   0.0001428800000000,  0.0014673000000000, -0.0005371800000000 ]  - [   0.0029599900000000, -0.0051378900000000,  0.0042459400000000 ]  - [   0.0002547500000000,  0.0003975900000000,  0.0026971400000000 ]  - [   0.0002977200000000,  0.0006697300000000, -0.0005907600000000 ]  - [  -0.0012928000000000, -0.0004888700000000,  0.0010539000000000 ]  - [   0.0000046200000000,  0.0004605400000000,  0.0000366100000000 ]  - [   0.0000192700000000,  0.0018577300000000, -0.0003032100000000 ]  - [   0.0000772100000000,  0.0008797100000000,  0.0001159400000000 ]  - [   0.0014448700000000,  0.0057049900000000,  0.0003253500000000 ]  - [  -0.0000904500000000, -0.0006148700000000,  0.0000326200000000 ]  - [  -0.0000685500000000,  0.0002693600000000, -0.0000568900000000 ]  - [  -0.0002425600000000,  0.0009260300000000,  0.0002938400000000 ]  - [   0.0013963900000000, -0.0013891900000000, -0.0005311600000000 ]  - [   0.0000849100000000,  0.0009403100000000,  0.0002317200000000 ]  - [  -0.0004984300000000,  0.0004037600000000,  0.0006773800000000 ]  - [   0.0013782800000000,  0.0006907000000000, -0.0006378900000000 ]  - [  -0.0406430400000000,  0.0854439800000000,  0.0356994400000000 ]  - [  -0.0003733700000000, -0.0002997400000000, -0.0001904200000000 ]  - [   0.0000127800000000, -0.0010054300000000, -0.0000511300000000 ]  - [   0.0003025900000000,  0.0008511600000000, -0.0000214000000000 ]  - [  -0.0001904000000000, -0.0007222200000000,  0.0003760800000000 ]  - [   0.0004606900000000, -0.0018443600000000, -0.0000806300000000 ]  - [  -0.0085181700000000, -0.0036430800000000, -0.0038722300000000 ]  - [   0.0007144700000000, -0.0002247100000000, -0.0000753500000000 ]  - [  -0.0004633000000000, -0.0002888500000000,  0.0009125200000000 ]  - [  -0.0002200600000000, -0.0012807500000000,  0.0004327800000000 ]  - [  -0.0009365000000000,  0.0005081000000000,  0.0000559800000000 ]  - [   0.0002735500000000,  0.0001157200000000,  0.0001261100000000 ]  - [   0.0021064700000000, -0.0008959800000000, -0.0010364100000000 ]  - [  -0.0002252400000000, -0.0004392900000000,  0.0000948100000000 ]  - [   0.0105314600000000, -0.0046723500000000, -0.0029697700000000 ]  - [  -0.0002071700000000, -0.0000334100000000, -0.0001511500000000 ]  - [   0.0001835500000000,  0.0003656900000000,  0.0001523300000000 ]  - [  -0.0000992600000000, -0.0000819400000000,  0.0000788400000000 ]  - [  -0.0032786500000000,  0.0050569000000000,  0.0029620700000000 ]  - [   0.0000706400000000, -0.0001365700000000,  0.0000695500000000 ]  - [  -0.0004946700000000,  0.0005090400000000, -0.0008047500000000 ]  - [  -0.0007606100000000, -0.0014242500000000,  0.0003021400000000 ]  - [   0.0014218100000000,  0.0030462800000000, -0.0002459100000000 ]  - [   0.0001908500000000, -0.0019034900000000, -0.0004733000000000 ]  - [  -0.0009275700000000,  0.0014385400000000, -0.0001439500000000 ]  - [  -0.0008085000000000,  0.0002371000000000, -0.0000590700000000 ]  - [  -0.0003762400000000, -0.0012437800000000, -0.0000007700000000 ]  - [  -0.0001063400000000,  0.0003564200000000,  0.0000337900000000 ]  - [   0.0012154800000000,  0.0016195400000000, -0.0049182000000000 ]  - [   0.0005154500000000,  0.0005616600000000,  0.0007955800000000 ]  - [  -0.0007526700000000,  0.0004151100000000, -0.0014945000000000 ]  - [  -0.0001467900000000, -0.0015238400000000, -0.0021578400000000 ]  - [  -0.0001735400000000,  0.0009883700000000, -0.0007552500000000 ]  - [   0.0003933300000000, -0.0011097800000000,  0.0008609200000000 ]  - [   0.0004035300000000, -0.0006831400000000, -0.0001082400000000 ]  - [  -0.0000954500000000, -0.0005619100000000, -0.0000424600000000 ]  - [  -0.0004351500000000,  0.0020410000000000,  0.0002297900000000 ]  - [   0.0003117200000000, -0.0013226400000000, -0.0000614900000000 ]  - [  -0.0000251700000000, -0.0002365900000000, -0.0001045500000000 ]  - [   0.0007507100000000, -0.0005775200000000, -0.0010654100000000 ]  - [   0.0008398600000000, -0.0030745900000000,  0.0005540200000000 ]  - [  -0.0002351600000000,  0.0022015200000000,  0.0017301800000000 ]  - [   0.0000959100000000,  0.0004193900000000,  0.0000997700000000 ]  - [  -0.0012896300000000, -0.0025746600000000,  0.0027179200000000 ]  - [   0.0073499600000000, -0.0051304800000000,  0.0082892100000000 ]  - [   0.0012659300000000, -0.0002832000000000, -0.0006216400000000 ]  - [   0.0000125000000000, -0.0004289400000000,  0.0001234300000000 ]  - [   0.0000872000000000,  0.0005349800000000, -0.0000458000000000 ]  - [   0.0000016300000000, -0.0002394400000000, -0.0000327200000000 ]  - [  -0.0003241600000000, -0.0005844400000000, -0.0009145900000000 ]  - [   0.0000003800000000,  0.0005259800000000, -0.0002232600000000 ]  - [   0.0000251300000000, -0.0007630400000000, -0.0002748900000000 ]  - [  -0.0008174400000000,  0.0005174300000000,  0.0003198000000000 ]  - [  -0.0002619700000000,  0.0009141900000000, -0.0003021200000000 ]  - [  -0.0001024300000000, -0.0002639200000000,  0.0000165400000000 ]  - [   0.0003164800000000, -0.0002302000000000,  0.0000992300000000 ]  - [  -0.0004617300000000, -0.0003077400000000,  0.0002463600000000 ]  - [  -0.0000515500000000,  0.0003674100000000, -0.0000505100000000 ]  - [  -0.0002412500000000, -0.0004912700000000,  0.0000172300000000 ]  - [   0.0000191400000000, -0.0013365200000000,  0.0018072500000000 ]  - [   0.0003085500000000, -0.0001547300000000, -0.0003214500000000 ]  - [  -0.0029803800000000,  0.0007070200000000,  0.0012150200000000 ]  - [   0.0001387200000000, -0.0002374700000000,  0.0000254600000000 ]  - [  -0.0019698500000000, -0.0025632000000000, -0.0005787700000000 ]  - [   0.0004084200000000, -0.0009998300000000,  0.0001538400000000 ]  - [  -0.0003920700000000, -0.0002884700000000,  0.0001022200000000 ]  - [  -0.0000695100000000, -0.0004607200000000, -0.0000239200000000 ]  - [  -0.0002585700000000, -0.0053046700000000,  0.0042715200000000 ]  - [  -0.0000595900000000, -0.0004935100000000, -0.0000293400000000 ]  - [  -0.0004818200000000,  0.0001113800000000,  0.0000821900000000 ]  - [  -0.0000473300000000, -0.0004905300000000,  0.0000680600000000 ]  - [   0.0000466100000000,  0.0001985400000000, -0.0000729100000000 ]  - [   0.0001434100000000, -0.0008864900000000,  0.0000341000000000 ]  - [  -0.0000715800000000, -0.0004518200000000, -0.0003512600000000 ]  - [  -0.0000408100000000,  0.0004294800000000, -0.0000117300000000 ]  - [  -0.0006532200000000, -0.0024548700000000,  0.0006961400000000 ]  - [   0.0000976500000000, -0.0004782100000000, -0.0003033500000000 ]  - [   0.0005111100000000, -0.0008244300000000,  0.0004127300000000 ]  - [  -0.0003285100000000, -0.0005923200000000, -0.0004399000000000 ]  - [   0.0000364900000000,  0.0001564400000000, -0.0002712000000000 ]  - [   0.0000266300000000, -0.0005474200000000,  0.0000285300000000 ]  - [   0.0001011600000000,  0.0005290200000000,  0.0000239400000000 ]  - [   0.0005960800000000,  0.0005591100000000, -0.0006580300000000 ]  - [   0.0002721100000000,  0.0017024500000000,  0.0001381500000000 ]  - [   0.0002394300000000, -0.0005779700000000,  0.0000248700000000 ]  - [  -0.0000459800000000,  0.0006150400000000, -0.0000626300000000 ]  - [  -0.0006233100000000, -0.0029155200000000, -0.0183408400000000 ]  - [   0.0003306400000000,  0.0001011600000000, -0.0005689900000000 ]  - [   0.0000161000000000,  0.0001924100000000, -0.0000564200000000 ]  - [  -0.0000259700000000, -0.0004362400000000, -0.0000276800000000 ]  - [  -0.0001296600000000, -0.0003994100000000,  0.0001426600000000 ]  - [  -0.0000962900000000, -0.0000307000000000,  0.0000375500000000 ]  - [   0.0001106600000000, -0.0002070800000000,  0.0000242200000000 ]  - [   0.0005501000000000, -0.0002801500000000, -0.0008317500000000 ]  - [  -0.0008897000000000, -0.0010032500000000,  0.0034544100000000 ]  - [   0.0000263200000000, -0.0007889300000000, -0.0001083400000000 ]- atom:   65  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0005186200000000, -0.0000709400000000,  0.0008105100000000 ]  - [   0.0001582900000000, -0.0005460000000000, -0.0005664500000000 ]  - [  -0.0015697500000000,  0.0003710600000000, -0.0038761600000000 ]  - [  -0.0012040800000000, -0.0050250700000000,  0.0001204300000000 ]  - [   0.0034179100000000, -0.0007168600000000,  0.0018083500000000 ]  - [   0.0010288100000000,  0.0010290900000000, -0.0036822800000000 ]  - [  -0.0004472100000000, -0.0035386000000000,  0.0085208500000000 ]  - [  -0.0000642800000000, -0.0000478900000000, -0.0003959600000000 ]  - [  -0.0002043300000000,  0.0003816500000000,  0.0007187900000000 ]  - [  -0.0007355500000000, -0.0009316300000000,  0.0003486400000000 ]  - [   0.0004008400000000,  0.0003331800000000, -0.0001109300000000 ]  - [  -0.0024054500000000,  0.0019603400000000,  0.0018473200000000 ]  - [  -0.0002071400000000,  0.0000554800000000, -0.0023933300000000 ]  - [   0.0031594700000000, -0.0012078300000000,  0.0006242700000000 ]  - [   0.0000874700000000,  0.0000607900000000,  0.0003830100000000 ]  - [  -0.0001514700000000, -0.0001743900000000, -0.0000824000000000 ]  - [   0.0000708600000000, -0.0004276700000000, -0.0005799100000000 ]  - [   0.0003261700000000,  0.0004849800000000,  0.0003414800000000 ]  - [   0.0002907300000000, -0.0000342000000000, -0.0006811400000000 ]  - [  -0.0031669800000000,  0.0006410500000000,  0.0107946900000000 ]  - [   0.0007575700000000, -0.0000424000000000, -0.0009136700000000 ]  - [  -0.0006855700000000, -0.0004516300000000, -0.0011493200000000 ]  - [  -0.0003032100000000,  0.0024015200000000, -0.0011873700000000 ]  - [  -0.0003141300000000,  0.0002557900000000, -0.0005199600000000 ]  - [  -0.0003797800000000, -0.0005544500000000,  0.0017284500000000 ]  - [   0.0018236500000000,  0.0060583400000000,  0.0051568400000000 ]  - [   0.0008995200000000,  0.0000919600000000, -0.0011888100000000 ]  - [   0.0002690600000000, -0.0000083200000000,  0.0010117200000000 ]  - [   0.0002615300000000,  0.0000032600000000,  0.0004857900000000 ]  - [   0.0003320300000000, -0.0000397800000000, -0.0004970900000000 ]  - [   0.0008495300000000, -0.0035088300000000,  0.0011727000000000 ]  - [  -0.0019391700000000,  0.0010899300000000,  0.0021868100000000 ]  - [  -0.0010171100000000, -0.0008142100000000, -0.0021193900000000 ]  - [   0.0006007400000000,  0.0011370100000000, -0.0014240700000000 ]  - [  -0.0000098400000000, -0.0008084800000000,  0.0006505100000000 ]  - [  -0.0001111700000000,  0.0003043200000000, -0.0008502800000000 ]  - [  -0.0029722900000000,  0.0030084300000000, -0.0119381500000000 ]  - [  -0.0078714300000000, -0.0098206900000000,  0.0385578800000000 ]  - [   0.0012550800000000, -0.0006383100000000, -0.0017814200000000 ]  - [  -0.0004314000000000,  0.0003326800000000, -0.0014421400000000 ]  - [   0.0006852700000000, -0.0006889400000000,  0.0004175500000000 ]  - [  -0.0577551800000000,  0.0381216000000000,  0.0819974300000000 ]  - [  -0.0012660100000000,  0.0011085000000000, -0.0017467000000000 ]  - [  -0.0002930400000000,  0.0002251800000000,  0.0012999800000000 ]  - [   0.0002249800000000,  0.0002230600000000, -0.0012372500000000 ]  - [   0.0001296200000000,  0.0001926800000000,  0.0013144800000000 ]  - [   0.0000643100000000,  0.0043924500000000, -0.0025728500000000 ]  - [   0.0004216900000000,  0.0000509100000000,  0.0017264400000000 ]  - [   0.0005332500000000,  0.0000068000000000,  0.0004605300000000 ]  - [  -0.0072780700000000, -0.0036606500000000,  0.0018001100000000 ]  - [  -0.0024932000000000, -0.0052673700000000, -0.0044199000000000 ]  - [  -0.0001251400000000,  0.0005823200000000, -0.0011770400000000 ]  - [   0.0015589500000000, -0.0012652700000000, -0.0023580900000000 ]  - [   0.0004060200000000, -0.0000405100000000, -0.0004254500000000 ]  - [  -0.0007394900000000,  0.0000516400000000,  0.0008607400000000 ]  - [  -0.0001994700000000, -0.0002548400000000, -0.0009566300000000 ]  - [   0.0016392300000000,  0.0026993100000000,  0.0060389700000000 ]  - [  -0.0006134900000000, -0.0000206800000000, -0.0013072000000000 ]  - [   0.0002824300000000,  0.0003066700000000, -0.0001108900000000 ]  - [   0.0004772400000000, -0.0007179300000000, -0.0031082800000000 ]  - [   0.0035773600000000, -0.0030089400000000, -0.0059489600000000 ]  - [  -0.0002898300000000, -0.0001428300000000, -0.0006565300000000 ]  - [   0.0006155200000000, -0.0005249500000000, -0.0001995000000000 ]  - [   0.0038922100000000,  0.0033396800000000, -0.0006323900000000 ]  - [   0.0819574600000000, -0.0378330700000000, -0.1821377700000000 ]  - [   0.0001772800000000, -0.0000661000000000, -0.0006699000000000 ]  - [  -0.0000322000000000,  0.0003213000000000,  0.0010087700000000 ]  - [  -0.0012166200000000,  0.0008821000000000,  0.0013403500000000 ]  - [   0.0000660600000000, -0.0001860200000000,  0.0003075200000000 ]  - [  -0.0003241300000000,  0.0007240400000000, -0.0001223800000000 ]  - [   0.0038670800000000,  0.0034115800000000, -0.0032698300000000 ]  - [   0.0002754100000000, -0.0003086400000000, -0.0005979600000000 ]  - [  -0.0002388000000000, -0.0012016000000000,  0.0007627100000000 ]  - [   0.0002847500000000,  0.0004401100000000, -0.0005121200000000 ]  - [  -0.0012240800000000, -0.0005026000000000, -0.0014756100000000 ]  - [   0.0000154900000000, -0.0002260000000000, -0.0001836900000000 ]  - [  -0.0010257500000000,  0.0005959800000000, -0.0014493700000000 ]  - [  -0.0002340800000000, -0.0001548800000000,  0.0004655000000000 ]  - [  -0.0053801200000000,  0.0051457300000000, -0.0050521400000000 ]  - [   0.0003443400000000,  0.0001051400000000,  0.0005979800000000 ]  - [   0.0008239600000000, -0.0005938700000000,  0.0009920100000000 ]  - [  -0.0000353800000000, -0.0001830300000000,  0.0013722700000000 ]  - [  -0.0134933500000000, -0.0051927100000000,  0.0046741400000000 ]  - [  -0.0000379100000000, -0.0000053600000000,  0.0004787100000000 ]  - [   0.0012229900000000,  0.0009252100000000,  0.0022059500000000 ]  - [  -0.0001972500000000, -0.0007369100000000, -0.0009025400000000 ]  - [   0.0085146500000000,  0.0012531000000000,  0.0053197500000000 ]  - [   0.0007620600000000,  0.0001833700000000, -0.0021764200000000 ]  - [   0.0022721100000000, -0.0009001600000000,  0.0015222200000000 ]  - [   0.0016145700000000,  0.0009624900000000, -0.0002505100000000 ]  - [   0.0003871400000000,  0.0002177700000000, -0.0005339100000000 ]  - [  -0.0004103400000000, -0.0004041600000000,  0.0007792000000000 ]  - [  -0.0029605500000000,  0.0091471400000000,  0.0068413600000000 ]  - [   0.0004048800000000, -0.0003273600000000,  0.0001955200000000 ]  - [   0.0010717100000000,  0.0012130000000000,  0.0006367400000000 ]  - [   0.0009259700000000,  0.0022678500000000, -0.0002327200000000 ]  - [   0.0011747200000000,  0.0007570300000000,  0.0053461300000000 ]  - [   0.0001108700000000,  0.0004118100000000, -0.0013923700000000 ]  - [  -0.0004042200000000,  0.0002135000000000, -0.0003632500000000 ]  - [   0.0001823900000000,  0.0000996700000000,  0.0005710900000000 ]  - [   0.0018156300000000, -0.0008564500000000, -0.0021933600000000 ]  - [  -0.0000166300000000,  0.0000211500000000, -0.0006039000000000 ]  - [  -0.0001474000000000,  0.0000954100000000,  0.0000531700000000 ]  - [  -0.0015055600000000,  0.0014935800000000,  0.0006238500000000 ]  - [  -0.0002328500000000,  0.0005417500000000, -0.0012792000000000 ]  - [   0.0004471100000000, -0.0018215300000000,  0.0018446400000000 ]  - [  -0.0002385700000000,  0.0000892700000000, -0.0012040400000000 ]  - [  -0.0001734400000000, -0.0019623100000000, -0.0010491900000000 ]  - [   0.0062736000000000, -0.0073283100000000,  0.0017197700000000 ]  - [  -0.0008539600000000,  0.0005535700000000,  0.0000530900000000 ]  - [  -0.0001961200000000, -0.0001309900000000, -0.0000361200000000 ]  - [  -0.0004779600000000, -0.0000359700000000, -0.0001021500000000 ]  - [  -0.0002440700000000,  0.0000424000000000,  0.0004884000000000 ]  - [   0.0008069800000000,  0.0019840600000000,  0.0028280200000000 ]  - [  -0.0003614100000000,  0.0003872000000000, -0.0007851900000000 ]  - [  -0.0002264400000000,  0.0001919800000000, -0.0001049700000000 ]  - [  -0.0019757100000000,  0.0001737400000000,  0.0005903500000000 ]  - [  -0.0013907800000000,  0.0007323200000000,  0.0014134400000000 ]  - [  -0.0000235500000000, -0.0001339100000000,  0.0008415600000000 ]  - [   0.0002704400000000, -0.0006978000000000,  0.0017108200000000 ]  - [  -0.0008998900000000, -0.0015129100000000,  0.0007652500000000 ]  - [  -0.0000035500000000, -0.0000402200000000,  0.0002836500000000 ]  - [   0.0003016800000000, -0.0000654700000000,  0.0012981700000000 ]  - [   0.0002899000000000, -0.0012132900000000,  0.0011666600000000 ]  - [  -0.0003116600000000,  0.0006735900000000,  0.0014356300000000 ]  - [  -0.0091763700000000, -0.0041454900000000, -0.0015909600000000 ]  - [  -0.0002099400000000,  0.0002619800000000,  0.0004681000000000 ]  - [   0.0001743300000000,  0.0012787500000000, -0.0032472800000000 ]  - [   0.0001345100000000, -0.0005959800000000, -0.0003766500000000 ]  - [  -0.0008647600000000, -0.0012850500000000, -0.0013932600000000 ]  - [  -0.0002454700000000, -0.0002594500000000,  0.0002304200000000 ]  - [   0.0014104500000000, -0.0085490200000000, -0.0023122200000000 ]  - [  -0.0003006800000000,  0.0002319200000000, -0.0003509200000000 ]  - [  -0.0014801800000000, -0.0007248800000000,  0.0018433100000000 ]  - [   0.0000054700000000, -0.0000160500000000,  0.0001463400000000 ]  - [  -0.0005118700000000,  0.0000379800000000,  0.0006671900000000 ]  - [   0.0001841200000000,  0.0000913300000000, -0.0001458300000000 ]  - [   0.0001831900000000,  0.0003588100000000,  0.0004421600000000 ]  - [   0.0003224400000000,  0.0001479500000000,  0.0009909000000000 ]  - [  -0.0006043000000000, -0.0008769300000000, -0.0008509500000000 ]  - [  -0.0002349200000000,  0.0002307600000000,  0.0002276000000000 ]  - [   0.0007796500000000, -0.0005435900000000,  0.0002020200000000 ]  - [   0.0005778400000000,  0.0004030300000000,  0.0000676000000000 ]  - [  -0.0001332300000000,  0.0001839500000000,  0.0002890400000000 ]  - [  -0.0002797400000000, -0.0000194600000000, -0.0005257700000000 ]  - [   0.0000920800000000, -0.0004602000000000,  0.0013741500000000 ]  - [  -0.0008849100000000,  0.0001620500000000,  0.0024422700000000 ]  - [   0.0004269300000000, -0.0001539000000000, -0.0016849600000000 ]  - [   0.0001649200000000, -0.0000505700000000,  0.0004258500000000 ]  - [   0.0002361200000000,  0.0000191800000000,  0.0013263000000000 ]  - [   0.0025395300000000,  0.0185717800000000,  0.0275178500000000 ]  - [  -0.0004495500000000,  0.0004220800000000,  0.0000714500000000 ]  - [   0.0001163600000000, -0.0000645400000000,  0.0009965700000000 ]  - [  -0.0002314100000000, -0.0001648200000000, -0.0001131100000000 ]  - [   0.0000017400000000,  0.0001331100000000,  0.0008812700000000 ]  - [  -0.0003418200000000, -0.0001956900000000,  0.0002765000000000 ]  - [  -0.0000764100000000, -0.0001232000000000,  0.0003266300000000 ]  - [  -0.0008562300000000,  0.0012690300000000,  0.0020993300000000 ]  - [  -0.0045894400000000, -0.0034165900000000,  0.0160392400000000 ]  - [   0.0001829400000000, -0.0000951300000000,  0.0004386800000000 ]- atom:   65  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0005258800000000,  0.0000720200000000, -0.0008162900000000 ]  - [  -0.0001544400000000,  0.0005457500000000,  0.0005717300000000 ]  - [   0.0015914800000000, -0.0003717400000000,  0.0038990100000000 ]  - [   0.0012046700000000,  0.0050203500000000, -0.0001078900000000 ]  - [  -0.0034450100000000,  0.0007014100000000, -0.0018035000000000 ]  - [  -0.0010295400000000, -0.0010302500000000,  0.0036955800000000 ]  - [   0.0004782700000000,  0.0034821700000000, -0.0085908400000000 ]  - [   0.0000652000000000,  0.0000452500000000,  0.0003956400000000 ]  - [   0.0002080900000000, -0.0003864600000000, -0.0007189700000000 ]  - [   0.0007353700000000,  0.0009244200000000, -0.0003588400000000 ]  - [  -0.0004014600000000, -0.0003343800000000,  0.0001144800000000 ]  - [   0.0024127300000000, -0.0019660700000000, -0.0018833000000000 ]  - [   0.0002087200000000, -0.0000495700000000,  0.0024062700000000 ]  - [  -0.0031837800000000,  0.0012163900000000, -0.0006380700000000 ]  - [  -0.0000890600000000, -0.0000596700000000, -0.0003829600000000 ]  - [   0.0001488900000000,  0.0001753100000000,  0.0000827400000000 ]  - [  -0.0000707600000000,  0.0004303800000000,  0.0005807700000000 ]  - [  -0.0003282500000000, -0.0004904600000000, -0.0003467700000000 ]  - [  -0.0002933000000000,  0.0000335400000000,  0.0006843300000000 ]  - [   0.0033873600000000, -0.0005678600000000, -0.0107214000000000 ]  - [  -0.0007676400000000,  0.0000419600000000,  0.0009161700000000 ]  - [   0.0006803100000000,  0.0004528000000000,  0.0011586800000000 ]  - [   0.0003111100000000, -0.0024269500000000,  0.0011865100000000 ]  - [   0.0003155100000000, -0.0002560400000000,  0.0005240700000000 ]  - [   0.0003857100000000,  0.0005587000000000, -0.0017335300000000 ]  - [  -0.0018484200000000, -0.0060785400000000, -0.0051365900000000 ]  - [  -0.0009042500000000, -0.0000920300000000,  0.0011987800000000 ]  - [  -0.0002775100000000,  0.0000107000000000, -0.0010231500000000 ]  - [  -0.0002670900000000, -0.0000025900000000, -0.0004916900000000 ]  - [  -0.0003355500000000,  0.0000398600000000,  0.0005023400000000 ]  - [  -0.0008546200000000,  0.0035635800000000, -0.0011553600000000 ]  - [   0.0019582200000000, -0.0010983700000000, -0.0021939800000000 ]  - [   0.0010298700000000,  0.0008225000000000,  0.0021235300000000 ]  - [  -0.0006126300000000, -0.0011485600000000,  0.0014291600000000 ]  - [   0.0000125300000000,  0.0008104300000000, -0.0006612300000000 ]  - [   0.0001100300000000, -0.0003095200000000,  0.0008573200000000 ]  - [   0.0029746500000000, -0.0029948300000000,  0.0119438100000000 ]  - [   0.0086093900000000,  0.0108239400000000, -0.0411386100000000 ]  - [  -0.0012676000000000,  0.0006476600000000,  0.0017911500000000 ]  - [   0.0004395200000000, -0.0003388000000000,  0.0014424400000000 ]  - [  -0.0006861500000000,  0.0006907100000000, -0.0004282400000000 ]  - [   0.0544097500000000, -0.0360616400000000, -0.0797234800000000 ]  - [   0.0012661900000000, -0.0011066900000000,  0.0017587200000000 ]  - [   0.0002948900000000, -0.0002248900000000, -0.0013045000000000 ]  - [  -0.0002286000000000, -0.0002230800000000,  0.0012389600000000 ]  - [  -0.0001278700000000, -0.0001943100000000, -0.0013122600000000 ]  - [  -0.0000864500000000, -0.0043887600000000,  0.0026029700000000 ]  - [  -0.0004251300000000, -0.0000520500000000, -0.0017344600000000 ]  - [  -0.0005412700000000, -0.0000049600000000, -0.0004612700000000 ]  - [   0.0072937700000000,  0.0037063200000000, -0.0018755200000000 ]  - [   0.0025228800000000,  0.0053195100000000,  0.0044395300000000 ]  - [   0.0001286800000000, -0.0005828900000000,  0.0011854200000000 ]  - [  -0.0015504300000000,  0.0012652900000000,  0.0023703800000000 ]  - [  -0.0004105300000000,  0.0000405100000000,  0.0004249000000000 ]  - [   0.0007458400000000, -0.0000498300000000, -0.0008720000000000 ]  - [   0.0002019600000000,  0.0002529200000000,  0.0009566100000000 ]  - [  -0.0016468600000000, -0.0026892800000000, -0.0060714100000000 ]  - [   0.0006216600000000,  0.0000199400000000,  0.0013104700000000 ]  - [  -0.0002859400000000, -0.0003086800000000,  0.0001033900000000 ]  - [  -0.0004714500000000,  0.0007065500000000,  0.0031139000000000 ]  - [  -0.0036193300000000,  0.0030337600000000,  0.0059924900000000 ]  - [   0.0002890100000000,  0.0001394400000000,  0.0006600400000000 ]  - [  -0.0006261300000000,  0.0005282200000000,  0.0002098400000000 ]  - [  -0.0039209100000000, -0.0033519300000000,  0.0006296500000000 ]  - [  -0.0796077900000000,  0.0344459000000000,  0.1824334100000000 ]  - [  -0.0001872700000000,  0.0000792800000000,  0.0007043100000000 ]  - [   0.0000405100000000, -0.0003270800000000, -0.0009854100000000 ]  - [   0.0012284900000000, -0.0008556800000000, -0.0013400100000000 ]  - [  -0.0000795800000000,  0.0002189300000000, -0.0002992500000000 ]  - [   0.0003010000000000, -0.0007232500000000,  0.0001090800000000 ]  - [  -0.0038388500000000, -0.0033557900000000,  0.0033050300000000 ]  - [  -0.0002625700000000,  0.0003185800000000,  0.0005702100000000 ]  - [   0.0002495400000000,  0.0011750200000000, -0.0007572800000000 ]  - [  -0.0002561100000000, -0.0004248100000000,  0.0004970300000000 ]  - [   0.0012184500000000,  0.0004923400000000,  0.0014448200000000 ]  - [  -0.0000224000000000,  0.0002389200000000,  0.0001574700000000 ]  - [   0.0010319700000000, -0.0006232700000000,  0.0014504100000000 ]  - [   0.0002437700000000,  0.0001846900000000, -0.0004789800000000 ]  - [   0.0054801800000000, -0.0052316700000000,  0.0050064000000000 ]  - [  -0.0003567400000000, -0.0000989700000000, -0.0006264400000000 ]  - [  -0.0008614000000000,  0.0005849400000000, -0.0010049200000000 ]  - [   0.0000205800000000,  0.0001497900000000, -0.0013910900000000 ]  - [   0.0133974100000000,  0.0051869300000000, -0.0046723800000000 ]  - [   0.0000532200000000,  0.0000175300000000, -0.0004498500000000 ]  - [  -0.0012213900000000, -0.0009453300000000, -0.0021880000000000 ]  - [   0.0001712900000000,  0.0007328700000000,  0.0009128800000000 ]  - [  -0.0086396800000000, -0.0013001400000000, -0.0053520300000000 ]  - [  -0.0007609200000000, -0.0001982600000000,  0.0021517500000000 ]  - [  -0.0022597700000000,  0.0008704500000000, -0.0015272100000000 ]  - [  -0.0015943700000000, -0.0009843600000000,  0.0002404900000000 ]  - [  -0.0004031400000000, -0.0002476100000000,  0.0005259500000000 ]  - [   0.0003983000000000,  0.0003931100000000, -0.0007536200000000 ]  - [   0.0029908300000000, -0.0092790300000000, -0.0069436400000000 ]  - [  -0.0004158300000000,  0.0003536300000000, -0.0001902800000000 ]  - [  -0.0010662900000000, -0.0011928100000000, -0.0006128800000000 ]  - [  -0.0009287200000000, -0.0022678300000000,  0.0002221500000000 ]  - [  -0.0011504000000000, -0.0007621200000000, -0.0053614500000000 ]  - [  -0.0001020500000000, -0.0003906300000000,  0.0013919800000000 ]  - [   0.0003964000000000, -0.0001846400000000,  0.0003531000000000 ]  - [  -0.0001533500000000, -0.0000859600000000, -0.0005594900000000 ]  - [  -0.0018052700000000,  0.0008281400000000,  0.0022039400000000 ]  - [  -0.0000099800000000, -0.0000093300000000,  0.0006125200000000 ]  - [   0.0001181800000000, -0.0001054200000000, -0.0000659400000000 ]  - [   0.0014855700000000, -0.0015237800000000, -0.0006237800000000 ]  - [   0.0002592300000000, -0.0005437300000000,  0.0012924100000000 ]  - [  -0.0004396800000000,  0.0017992600000000, -0.0018834000000000 ]  - [   0.0002097300000000, -0.0001006700000000,  0.0012240600000000 ]  - [   0.0001888100000000,  0.0019798600000000,  0.0010674600000000 ]  - [  -0.0062620700000000,  0.0073144100000000, -0.0017426500000000 ]  - [   0.0008546500000000, -0.0005517400000000, -0.0000331800000000 ]  - [   0.0002289400000000,  0.0001199400000000,  0.0000210600000000 ]  - [   0.0004489500000000,  0.0000489400000000,  0.0000833700000000 ]  - [   0.0002143200000000, -0.0000297100000000, -0.0004774600000000 ]  - [  -0.0008186000000000, -0.0019665400000000, -0.0027957600000000 ]  - [   0.0003751100000000, -0.0004023300000000,  0.0008189600000000 ]  - [   0.0002389100000000, -0.0001639200000000,  0.0001175800000000 ]  - [   0.0019786500000000, -0.0001497000000000, -0.0005852300000000 ]  - [   0.0013782000000000, -0.0007353700000000, -0.0014316300000000 ]  - [   0.0000163000000000,  0.0001644300000000, -0.0008570200000000 ]  - [  -0.0002673900000000,  0.0007138900000000, -0.0017441200000000 ]  - [   0.0009220400000000,  0.0014921500000000, -0.0007547600000000 ]  - [   0.0000343800000000,  0.0000485600000000, -0.0002947100000000 ]  - [  -0.0003129000000000,  0.0000626400000000, -0.0013288800000000 ]  - [  -0.0002991000000000,  0.0012338500000000, -0.0012126700000000 ]  - [   0.0003205300000000, -0.0007028600000000, -0.0014536700000000 ]  - [   0.0092485200000000,  0.0041973800000000,  0.0016370800000000 ]  - [   0.0002442900000000, -0.0002775000000000, -0.0004582000000000 ]  - [  -0.0001926700000000, -0.0012936400000000,  0.0032209100000000 ]  - [  -0.0001658400000000,  0.0005881800000000,  0.0003646300000000 ]  - [   0.0008613400000000,  0.0012666900000000,  0.0013893600000000 ]  - [   0.0002784300000000,  0.0002785000000000, -0.0002394200000000 ]  - [  -0.0014249600000000,  0.0086107800000000,  0.0024063300000000 ]  - [   0.0003172600000000, -0.0002450100000000,  0.0003814800000000 ]  - [   0.0014756100000000,  0.0007229200000000, -0.0018485200000000 ]  - [  -0.0000128600000000, -0.0000102700000000, -0.0001381100000000 ]  - [   0.0005263900000000, -0.0000481400000000, -0.0006995700000000 ]  - [  -0.0001724500000000, -0.0001211600000000,  0.0001595000000000 ]  - [  -0.0001579400000000, -0.0003715700000000, -0.0004494500000000 ]  - [  -0.0003280800000000, -0.0001770400000000, -0.0010066100000000 ]  - [   0.0005970700000000,  0.0008698600000000,  0.0008842600000000 ]  - [   0.0002256300000000, -0.0002460000000000, -0.0002594700000000 ]  - [  -0.0007970800000000,  0.0005770400000000, -0.0001853500000000 ]  - [  -0.0005639200000000, -0.0003738300000000, -0.0000620700000000 ]  - [   0.0001507600000000, -0.0001700200000000, -0.0003275400000000 ]  - [   0.0003103500000000,  0.0000297200000000,  0.0005373300000000 ]  - [  -0.0000795400000000,  0.0004879300000000, -0.0013889900000000 ]  - [   0.0008653800000000, -0.0001339600000000, -0.0024576700000000 ]  - [  -0.0004046600000000,  0.0001670100000000,  0.0017030600000000 ]  - [  -0.0001554300000000,  0.0000262100000000, -0.0004378900000000 ]  - [  -0.0002727600000000, -0.0000065600000000, -0.0013189400000000 ]  - [  -0.0025328000000000, -0.0182329200000000, -0.0272095000000000 ]  - [   0.0004415700000000, -0.0004563800000000, -0.0000582200000000 ]  - [  -0.0000880700000000,  0.0000551800000000, -0.0009882500000000 ]  - [   0.0002428600000000,  0.0001549700000000,  0.0000866400000000 ]  - [  -0.0000316500000000, -0.0001438000000000, -0.0008733700000000 ]  - [   0.0003601500000000,  0.0002087200000000, -0.0002441700000000 ]  - [   0.0000638400000000,  0.0001110600000000, -0.0002936700000000 ]  - [   0.0008507200000000, -0.0012711500000000, -0.0020832100000000 ]  - [   0.0046653500000000,  0.0034542000000000, -0.0162461000000000 ]  - [  -0.0002141000000000,  0.0001073500000000, -0.0004507100000000 ]