# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/a69cd3a9-1273-4cf8-a525-889357c37c37/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 Y2NCl3 / C2/m (12) / materials id 28580](https://mdr.nims.go.jp/datasets/c8dabe87-fb50-44a0-babf-82f0d1542336)

## Fulltext

phonopy:  version: 2.17.1  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05  nac_unit_conversion_factor: 14.399652  configuration:    save_params: ".true."physical_unit:  atomic_mass: "AMU"  length: "angstrom"  force_constants: "eV/angstrom^2"space_group:  type: "C2/m"  number: 12  Hall_symbol: "-C 2y"primitive_matrix:- [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [ -0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [  0.000000000000000,  0.000000000000000,  1.000000000000000 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   3,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     7.802277870000000,    -1.894940660000000,     0.035278320000000 ] # a  - [     7.802277870000000,     1.894940660000000,     0.035278320000000 ] # b  - [    -5.340037770000000,     0.000000000000000,     8.999927540000000 ] # c  points:  - symbol: N  # 1    coordinates: [  0.576733520000000,  0.576733520000000,  0.157098330000000 ]    mass: 14.006700  - symbol: N  # 2    coordinates: [  0.423266480000000,  0.423266480000000,  0.842901670000000 ]    mass: 14.006700  - symbol: Cl # 3    coordinates: [  0.949659070000000,  0.949659070000000,  0.252702250000000 ]    mass: 35.453000  - symbol: Cl # 4    coordinates: [  0.050340930000000,  0.050340930000000,  0.747297750000000 ]    mass: 35.453000  - symbol: Cl # 5    coordinates: [  0.337649550000000,  0.337649550000000,  0.488309040000000 ]    mass: 35.453000  - symbol: Cl # 6    coordinates: [  0.662350450000000,  0.662350450000000,  0.511690960000000 ]    mass: 35.453000  - symbol: Cl # 7    coordinates: [  0.227351050000000,  0.227351050000000,  0.116165940000000 ]    mass: 35.453000  - symbol: Cl # 8    coordinates: [  0.772648950000000,  0.772648950000000,  0.883834060000000 ]    mass: 35.453000  - symbol: Y  # 9    coordinates: [  0.137576480000000,  0.137576480000000,  0.292798120000000 ]    mass: 88.905850  - symbol: Y  # 10    coordinates: [  0.862423520000000,  0.862423520000000,  0.707201880000000 ]    mass: 88.905850  - symbol: Y  # 11    coordinates: [  0.412068190000000,  0.412068190000000,  0.045761440000000 ]    mass: 88.905850  - symbol: Y  # 12    coordinates: [  0.587931810000000,  0.587931810000000,  0.954238560000000 ]    mass: 88.905850  reciprocal_lattice: # without 2pi  - [     0.063912383874816,    -0.263860505267748,     0.037921921298297 ] # a*  - [     0.063912383874816,     0.263860505267748,     0.037921921298297 ] # b*  - [    -0.000501053262991,     0.000000000000000,     0.110814709587189 ] # c*unit_cell:  lattice:  - [    15.604555740000000,     0.000000000000000,     0.070556640000000 ] # a  - [     0.000000000000000,     3.789881320000000,     0.000000000000000 ] # b  - [    -5.340037770000000,     0.000000000000000,     8.999927540000000 ] # c  points:  - symbol: N  # 1    coordinates: [  0.076733520000000,  0.500000000000000,  0.157098330000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 2    coordinates: [  0.923266480000000,  0.500000000000000,  0.842901670000000 ]    mass: 14.006700    reduced_to: 2  - symbol: N  # 3    coordinates: [  0.576733520000000,  0.000000000000000,  0.157098330000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 4    coordinates: [  0.423266480000000,  0.000000000000000,  0.842901670000000 ]    mass: 14.006700    reduced_to: 2  - symbol: Cl # 5    coordinates: [  0.949659070000000,  0.000000000000000,  0.252702250000000 ]    mass: 35.453000    reduced_to: 5  - symbol: Cl # 6    coordinates: [  0.050340930000000,  0.000000000000000,  0.747297750000000 ]    mass: 35.453000    reduced_to: 6  - symbol: Cl # 7    coordinates: [  0.837649550000000,  0.500000000000000,  0.488309040000000 ]    mass: 35.453000    reduced_to: 7  - symbol: Cl # 8    coordinates: [  0.162350450000000,  0.500000000000000,  0.511690960000000 ]    mass: 35.453000    reduced_to: 8  - symbol: Cl # 9    coordinates: [  0.727351050000000,  0.500000000000000,  0.116165940000000 ]    mass: 35.453000    reduced_to: 9  - symbol: Cl # 10    coordinates: [  0.272648950000000,  0.500000000000000,  0.883834060000000 ]    mass: 35.453000    reduced_to: 10  - symbol: Cl # 11    coordinates: [  0.449659070000000,  0.500000000000000,  0.252702250000000 ]    mass: 35.453000    reduced_to: 5  - symbol: Cl # 12    coordinates: [  0.550340930000000,  0.500000000000000,  0.747297750000000 ]    mass: 35.453000    reduced_to: 6  - symbol: Cl # 13    coordinates: [  0.337649550000000,  0.000000000000000,  0.488309040000000 ]    mass: 35.453000    reduced_to: 7  - symbol: Cl # 14    coordinates: [  0.662350450000000,  0.000000000000000,  0.511690960000000 ]    mass: 35.453000    reduced_to: 8  - symbol: Cl # 15    coordinates: [  0.227351050000000,  0.000000000000000,  0.116165940000000 ]    mass: 35.453000    reduced_to: 9  - symbol: Cl # 16    coordinates: [  0.772648950000000,  0.000000000000000,  0.883834060000000 ]    mass: 35.453000    reduced_to: 10  - symbol: Y  # 17    coordinates: [  0.137576480000000,  0.000000000000000,  0.292798120000000 ]    mass: 88.905850    reduced_to: 17  - symbol: Y  # 18    coordinates: [  0.862423520000000,  0.000000000000000,  0.707201880000000 ]    mass: 88.905850    reduced_to: 18  - symbol: Y  # 19    coordinates: [  0.912068190000000,  0.500000000000000,  0.045761440000000 ]    mass: 88.905850    reduced_to: 19  - symbol: Y  # 20    coordinates: [  0.087931810000000,  0.500000000000000,  0.954238560000000 ]    mass: 88.905850    reduced_to: 20  - symbol: Y  # 21    coordinates: [  0.637576480000000,  0.500000000000000,  0.292798120000000 ]    mass: 88.905850    reduced_to: 17  - symbol: Y  # 22    coordinates: [  0.362423520000000,  0.500000000000000,  0.707201880000000 ]    mass: 88.905850    reduced_to: 18  - symbol: Y  # 23    coordinates: [  0.412068190000000,  0.000000000000000,  0.045761440000000 ]    mass: 88.905850    reduced_to: 19  - symbol: Y  # 24    coordinates: [  0.587931810000000,  0.000000000000000,  0.954238560000000 ]    mass: 88.905850    reduced_to: 20supercell:  lattice:  - [    15.604555740000000,     0.000000000000000,     0.070556640000000 ] # a  - [     0.000000000000000,    11.369643960000001,     0.000000000000000 ] # b  - [   -10.680075540000001,     0.000000000000000,    17.999855080000000 ] # c  points:  - symbol: N  # 1    coordinates: [  0.076733520000000,  0.166666666666667,  0.078549165000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 2    coordinates: [  0.076733520000000,  0.500000000000000,  0.078549165000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 3    coordinates: [  0.076733520000000,  0.833333333333333,  0.078549165000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 4    coordinates: [  0.076733520000000,  0.166666666666667,  0.578549165000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 5    coordinates: [  0.076733520000000,  0.500000000000000,  0.578549165000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 6    coordinates: [  0.076733520000000,  0.833333333333333,  0.578549165000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 7    coordinates: [  0.923266480000000,  0.166666666666667,  0.421450835000000 ]    mass: 14.006700    reduced_to: 7  - symbol: N  # 8    coordinates: [  0.923266480000000,  0.500000000000000,  0.421450835000000 ]    mass: 14.006700    reduced_to: 7  - symbol: N  # 9    coordinates: [  0.923266480000000,  0.833333333333333,  0.421450835000000 ]    mass: 14.006700    reduced_to: 7  - symbol: N  # 10    coordinates: [  0.923266480000000,  0.166666666666667,  0.921450835000000 ]    mass: 14.006700    reduced_to: 7  - symbol: N  # 11    coordinates: [  0.923266480000000,  0.500000000000000,  0.921450835000000 ]    mass: 14.006700    reduced_to: 7  - symbol: N  # 12    coordinates: [  0.923266480000000,  0.833333333333333,  0.921450835000000 ]    mass: 14.006700    reduced_to: 7  - symbol: N  # 13    coordinates: [  0.576733520000000,  0.000000000000000,  0.078549165000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 14    coordinates: [  0.576733520000000,  0.333333333333333,  0.078549165000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 15    coordinates: [  0.576733520000000,  0.666666666666667,  0.078549165000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 16    coordinates: [  0.576733520000000,  0.000000000000000,  0.578549165000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 17    coordinates: [  0.576733520000000,  0.333333333333333,  0.578549165000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 18    coordinates: [  0.576733520000000,  0.666666666666667,  0.578549165000000 ]    mass: 14.006700    reduced_to: 1  - symbol: N  # 19    coordinates: [  0.423266480000000,  0.000000000000000,  0.421450835000000 ]    mass: 14.006700    reduced_to: 7  - symbol: N  # 20    coordinates: [  0.423266480000000,  0.333333333333333,  0.421450835000000 ]    mass: 14.006700    reduced_to: 7  - symbol: N  # 21    coordinates: [  0.423266480000000,  0.666666666666667,  0.421450835000000 ]    mass: 14.006700    reduced_to: 7  - symbol: N  # 22    coordinates: [  0.423266480000000,  0.000000000000000,  0.921450835000000 ]    mass: 14.006700    reduced_to: 7  - symbol: N  # 23    coordinates: [  0.423266480000000,  0.333333333333333,  0.921450835000000 ]    mass: 14.006700    reduced_to: 7  - symbol: N  # 24    coordinates: [  0.423266480000000,  0.666666666666667,  0.921450835000000 ]    mass: 14.006700    reduced_to: 7  - symbol: Cl # 25    coordinates: [  0.949659070000000,  0.000000000000000,  0.126351125000000 ]    mass: 35.453000    reduced_to: 25  - symbol: Cl # 26    coordinates: [  0.949659070000000,  0.333333333333333,  0.126351125000000 ]    mass: 35.453000    reduced_to: 25  - symbol: Cl # 27    coordinates: [  0.949659070000000,  0.666666666666667,  0.126351125000000 ]    mass: 35.453000    reduced_to: 25  - symbol: Cl # 28    coordinates: [  0.949659070000000,  0.000000000000000,  0.626351125000000 ]    mass: 35.453000    reduced_to: 25  - symbol: Cl # 29    coordinates: [  0.949659070000000,  0.333333333333333,  0.626351125000000 ]    mass: 35.453000    reduced_to: 25  - symbol: Cl # 30    coordinates: [  0.949659070000000,  0.666666666666667,  0.626351125000000 ]    mass: 35.453000    reduced_to: 25  - symbol: Cl # 31    coordinates: [  0.050340930000000,  0.000000000000000,  0.373648875000000 ]    mass: 35.453000    reduced_to: 31  - symbol: Cl # 32    coordinates: [  0.050340930000000,  0.333333333333333,  0.373648875000000 ]    mass: 35.453000    reduced_to: 31  - symbol: Cl # 33    coordinates: [  0.050340930000000,  0.666666666666667,  0.373648875000000 ]    mass: 35.453000    reduced_to: 31  - symbol: Cl # 34    coordinates: [  0.050340930000000,  0.000000000000000,  0.873648875000000 ]    mass: 35.453000    reduced_to: 31  - symbol: Cl # 35    coordinates: [  0.050340930000000,  0.333333333333333,  0.873648875000000 ]    mass: 35.453000    reduced_to: 31  - symbol: Cl # 36    coordinates: [  0.050340930000000,  0.666666666666667,  0.873648875000000 ]    mass: 35.453000    reduced_to: 31  - symbol: Cl # 37    coordinates: [  0.837649550000000,  0.166666666666667,  0.244154520000000 ]    mass: 35.453000    reduced_to: 37  - symbol: Cl # 38    coordinates: [  0.837649550000000,  0.500000000000000,  0.244154520000000 ]    mass: 35.453000    reduced_to: 37  - symbol: Cl # 39    coordinates: [  0.837649550000000,  0.833333333333333,  0.244154520000000 ]    mass: 35.453000    reduced_to: 37  - symbol: Cl # 40    coordinates: [  0.837649550000000,  0.166666666666667,  0.744154520000000 ]    mass: 35.453000    reduced_to: 37  - symbol: Cl # 41    coordinates: [  0.837649550000000,  0.500000000000000,  0.744154520000000 ]    mass: 35.453000    reduced_to: 37  - symbol: Cl # 42    coordinates: [  0.837649550000000,  0.833333333333333,  0.744154520000000 ]    mass: 35.453000    reduced_to: 37  - symbol: Cl # 43    coordinates: [  0.162350450000000,  0.166666666666667,  0.255845480000000 ]    mass: 35.453000    reduced_to: 43  - symbol: Cl # 44    coordinates: [  0.162350450000000,  0.500000000000000,  0.255845480000000 ]    mass: 35.453000    reduced_to: 43  - symbol: Cl # 45    coordinates: [  0.162350450000000,  0.833333333333333,  0.255845480000000 ]    mass: 35.453000    reduced_to: 43  - symbol: Cl # 46    coordinates: [  0.162350450000000,  0.166666666666667,  0.755845480000000 ]    mass: 35.453000    reduced_to: 43  - symbol: Cl # 47    coordinates: [  0.162350450000000,  0.500000000000000,  0.755845480000000 ]    mass: 35.453000    reduced_to: 43  - symbol: Cl # 48    coordinates: [  0.162350450000000,  0.833333333333333,  0.755845480000000 ]    mass: 35.453000    reduced_to: 43  - symbol: Cl # 49    coordinates: [  0.727351050000000,  0.166666666666667,  0.058082970000000 ]    mass: 35.453000    reduced_to: 49  - symbol: Cl # 50    coordinates: [  0.727351050000000,  0.500000000000000,  0.058082970000000 ]    mass: 35.453000    reduced_to: 49  - symbol: Cl # 51    coordinates: [  0.727351050000000,  0.833333333333333,  0.058082970000000 ]    mass: 35.453000    reduced_to: 49  - symbol: Cl # 52    coordinates: [  0.727351050000000,  0.166666666666667,  0.558082970000000 ]    mass: 35.453000    reduced_to: 49  - symbol: Cl # 53    coordinates: [  0.727351050000000,  0.500000000000000,  0.558082970000000 ]    mass: 35.453000    reduced_to: 49  - symbol: Cl # 54    coordinates: [  0.727351050000000,  0.833333333333333,  0.558082970000000 ]    mass: 35.453000    reduced_to: 49  - symbol: Cl # 55    coordinates: [  0.272648950000000,  0.166666666666667,  0.441917030000000 ]    mass: 35.453000    reduced_to: 55  - symbol: Cl # 56    coordinates: [  0.272648950000000,  0.500000000000000,  0.441917030000000 ]    mass: 35.453000    reduced_to: 55  - symbol: Cl # 57    coordinates: [  0.272648950000000,  0.833333333333333,  0.441917030000000 ]    mass: 35.453000    reduced_to: 55  - symbol: Cl # 58    coordinates: [  0.272648950000000,  0.166666666666667,  0.941917030000000 ]    mass: 35.453000    reduced_to: 55  - symbol: Cl # 59    coordinates: [  0.272648950000000,  0.500000000000000,  0.941917030000000 ]    mass: 35.453000    reduced_to: 55  - symbol: Cl # 60    coordinates: [  0.272648950000000,  0.833333333333333,  0.941917030000000 ]    mass: 35.453000    reduced_to: 55  - symbol: Cl # 61    coordinates: [  0.449659070000000,  0.166666666666667,  0.126351125000000 ]    mass: 35.453000    reduced_to: 25  - symbol: Cl # 62    coordinates: [  0.449659070000000,  0.500000000000000,  0.126351125000000 ]    mass: 35.453000    reduced_to: 25  - symbol: Cl # 63    coordinates: [  0.449659070000000,  0.833333333333333,  0.126351125000000 ]    mass: 35.453000    reduced_to: 25  - symbol: Cl # 64    coordinates: [  0.449659070000000,  0.166666666666667,  0.626351125000000 ]    mass: 35.453000    reduced_to: 25  - symbol: Cl # 65    coordinates: [  0.449659070000000,  0.500000000000000,  0.626351125000000 ]    mass: 35.453000    reduced_to: 25  - symbol: Cl # 66    coordinates: [  0.449659070000000,  0.833333333333333,  0.626351125000000 ]    mass: 35.453000    reduced_to: 25  - symbol: Cl # 67    coordinates: [  0.550340930000000,  0.166666666666667,  0.373648875000000 ]    mass: 35.453000    reduced_to: 31  - symbol: Cl # 68    coordinates: [  0.550340930000000,  0.500000000000000,  0.373648875000000 ]    mass: 35.453000    reduced_to: 31  - symbol: Cl # 69    coordinates: [  0.550340930000000,  0.833333333333333,  0.373648875000000 ]    mass: 35.453000    reduced_to: 31  - symbol: Cl # 70    coordinates: [  0.550340930000000,  0.166666666666667,  0.873648875000000 ]    mass: 35.453000    reduced_to: 31  - symbol: Cl # 71    coordinates: [  0.550340930000000,  0.500000000000000,  0.873648875000000 ]    mass: 35.453000    reduced_to: 31  - symbol: Cl # 72    coordinates: [  0.550340930000000,  0.833333333333333,  0.873648875000000 ]    mass: 35.453000    reduced_to: 31  - symbol: Cl # 73    coordinates: [  0.337649550000000,  0.000000000000000,  0.244154520000000 ]    mass: 35.453000    reduced_to: 37  - symbol: Cl # 74    coordinates: [  0.337649550000000,  0.333333333333333,  0.244154520000000 ]    mass: 35.453000    reduced_to: 37  - symbol: Cl # 75    coordinates: [  0.337649550000000,  0.666666666666667,  0.244154520000000 ]    mass: 35.453000    reduced_to: 37  - symbol: Cl # 76    coordinates: [  0.337649550000000,  0.000000000000000,  0.744154520000000 ]    mass: 35.453000    reduced_to: 37  - symbol: Cl # 77    coordinates: [  0.337649550000000,  0.333333333333333,  0.744154520000000 ]    mass: 35.453000    reduced_to: 37  - symbol: Cl # 78    coordinates: [  0.337649550000000,  0.666666666666667,  0.744154520000000 ]    mass: 35.453000    reduced_to: 37  - symbol: Cl # 79    coordinates: [  0.662350450000000,  0.000000000000000,  0.255845480000000 ]    mass: 35.453000    reduced_to: 43  - symbol: Cl # 80    coordinates: [  0.662350450000000,  0.333333333333333,  0.255845480000000 ]    mass: 35.453000    reduced_to: 43  - symbol: Cl # 81    coordinates: [  0.662350450000000,  0.666666666666667,  0.255845480000000 ]    mass: 35.453000    reduced_to: 43  - symbol: Cl # 82    coordinates: [  0.662350450000000,  0.000000000000000,  0.755845480000000 ]    mass: 35.453000    reduced_to: 43  - symbol: Cl # 83    coordinates: [  0.662350450000000,  0.333333333333333,  0.755845480000000 ]    mass: 35.453000    reduced_to: 43  - symbol: Cl # 84    coordinates: [  0.662350450000000,  0.666666666666667,  0.755845480000000 ]    mass: 35.453000    reduced_to: 43  - symbol: Cl # 85    coordinates: [  0.227351050000000,  0.000000000000000,  0.058082970000000 ]    mass: 35.453000    reduced_to: 49  - symbol: Cl # 86    coordinates: [  0.227351050000000,  0.333333333333333,  0.058082970000000 ]    mass: 35.453000    reduced_to: 49  - symbol: Cl # 87    coordinates: [  0.227351050000000,  0.666666666666667,  0.058082970000000 ]    mass: 35.453000    reduced_to: 49  - symbol: Cl # 88    coordinates: [  0.227351050000000,  0.000000000000000,  0.558082970000000 ]    mass: 35.453000    reduced_to: 49  - symbol: Cl # 89    coordinates: [  0.227351050000000,  0.333333333333333,  0.558082970000000 ]    mass: 35.453000    reduced_to: 49  - symbol: Cl # 90    coordinates: [  0.227351050000000,  0.666666666666667,  0.558082970000000 ]    mass: 35.453000    reduced_to: 49  - symbol: Cl # 91    coordinates: [  0.772648950000000,  0.000000000000000,  0.441917030000000 ]    mass: 35.453000    reduced_to: 55  - symbol: Cl # 92    coordinates: [  0.772648950000000,  0.333333333333333,  0.441917030000000 ]    mass: 35.453000    reduced_to: 55  - symbol: Cl # 93    coordinates: [  0.772648950000000,  0.666666666666667,  0.441917030000000 ]    mass: 35.453000    reduced_to: 55  - symbol: Cl # 94    coordinates: [  0.772648950000000,  0.000000000000000,  0.941917030000000 ]    mass: 35.453000    reduced_to: 55  - symbol: Cl # 95    coordinates: [  0.772648950000000,  0.333333333333333,  0.941917030000000 ]    mass: 35.453000    reduced_to: 55  - symbol: Cl # 96    coordinates: [  0.772648950000000,  0.666666666666667,  0.941917030000000 ]    mass: 35.453000    reduced_to: 55  - symbol: Y  # 97    coordinates: [  0.137576480000000,  0.000000000000000,  0.146399060000000 ]    mass: 88.905850    reduced_to: 97  - symbol: Y  # 98    coordinates: [  0.137576480000000,  0.333333333333333,  0.146399060000000 ]    mass: 88.905850    reduced_to: 97  - symbol: Y  # 99    coordinates: [  0.137576480000000,  0.666666666666667,  0.146399060000000 ]    mass: 88.905850    reduced_to: 97  - symbol: Y  # 100    coordinates: [  0.137576480000000,  0.000000000000000,  0.646399060000000 ]    mass: 88.905850    reduced_to: 97  - symbol: Y  # 101    coordinates: [  0.137576480000000,  0.333333333333333,  0.646399060000000 ]    mass: 88.905850    reduced_to: 97  - symbol: Y  # 102    coordinates: [  0.137576480000000,  0.666666666666667,  0.646399060000000 ]    mass: 88.905850    reduced_to: 97  - symbol: Y  # 103    coordinates: [  0.862423520000000,  0.000000000000000,  0.353600940000000 ]    mass: 88.905850    reduced_to: 103  - symbol: Y  # 104    coordinates: [  0.862423520000000,  0.333333333333333,  0.353600940000000 ]    mass: 88.905850    reduced_to: 103  - symbol: Y  # 105    coordinates: [  0.862423520000000,  0.666666666666667,  0.353600940000000 ]    mass: 88.905850    reduced_to: 103  - symbol: Y  # 106    coordinates: [  0.862423520000000,  0.000000000000000,  0.853600940000000 ]    mass: 88.905850    reduced_to: 103  - symbol: Y  # 107    coordinates: [  0.862423520000000,  0.333333333333333,  0.853600940000000 ]    mass: 88.905850    reduced_to: 103  - symbol: Y  # 108    coordinates: [  0.862423520000000,  0.666666666666667,  0.853600940000000 ]    mass: 88.905850    reduced_to: 103  - symbol: Y  # 109    coordinates: [  0.912068190000000,  0.166666666666667,  0.022880720000000 ]    mass: 88.905850    reduced_to: 109  - symbol: Y  # 110    coordinates: [  0.912068190000000,  0.500000000000000,  0.022880720000000 ]    mass: 88.905850    reduced_to: 109  - symbol: Y  # 111    coordinates: [  0.912068190000000,  0.833333333333333,  0.022880720000000 ]    mass: 88.905850    reduced_to: 109  - symbol: Y  # 112    coordinates: [  0.912068190000000,  0.166666666666667,  0.522880720000000 ]    mass: 88.905850    reduced_to: 109  - symbol: Y  # 113    coordinates: [  0.912068190000000,  0.500000000000000,  0.522880720000000 ]    mass: 88.905850    reduced_to: 109  - symbol: Y  # 114    coordinates: [  0.912068190000000,  0.833333333333333,  0.522880720000000 ]    mass: 88.905850    reduced_to: 109  - symbol: Y  # 115    coordinates: [  0.087931810000000,  0.166666666666667,  0.477119280000000 ]    mass: 88.905850    reduced_to: 115  - symbol: Y  # 116    coordinates: [  0.087931810000000,  0.500000000000000,  0.477119280000000 ]    mass: 88.905850    reduced_to: 115  - symbol: Y  # 117    coordinates: [  0.087931810000000,  0.833333333333333,  0.477119280000000 ]    mass: 88.905850    reduced_to: 115  - symbol: Y  # 118    coordinates: [  0.087931810000000,  0.166666666666667,  0.977119280000000 ]    mass: 88.905850    reduced_to: 115  - symbol: Y  # 119    coordinates: [  0.087931810000000,  0.500000000000000,  0.977119280000000 ]    mass: 88.905850    reduced_to: 115  - symbol: Y  # 120    coordinates: [  0.087931810000000,  0.833333333333333,  0.977119280000000 ]    mass: 88.905850    reduced_to: 115  - symbol: Y  # 121    coordinates: [  0.637576480000000,  0.166666666666667,  0.146399060000000 ]    mass: 88.905850    reduced_to: 97  - symbol: Y  # 122    coordinates: [  0.637576480000000,  0.500000000000000,  0.146399060000000 ]    mass: 88.905850    reduced_to: 97  - symbol: Y  # 123    coordinates: [  0.637576480000000,  0.833333333333333,  0.146399060000000 ]    mass: 88.905850    reduced_to: 97  - symbol: Y  # 124    coordinates: [  0.637576480000000,  0.166666666666667,  0.646399060000000 ]    mass: 88.905850    reduced_to: 97  - symbol: Y  # 125    coordinates: [  0.637576480000000,  0.500000000000000,  0.646399060000000 ]    mass: 88.905850    reduced_to: 97  - symbol: Y  # 126    coordinates: [  0.637576480000000,  0.833333333333333,  0.646399060000000 ]    mass: 88.905850    reduced_to: 97  - symbol: Y  # 127    coordinates: [  0.362423520000000,  0.166666666666667,  0.353600940000000 ]    mass: 88.905850    reduced_to: 103  - symbol: Y  # 128    coordinates: [  0.362423520000000,  0.500000000000000,  0.353600940000000 ]    mass: 88.905850    reduced_to: 103  - symbol: Y  # 129    coordinates: [  0.362423520000000,  0.833333333333333,  0.353600940000000 ]    mass: 88.905850    reduced_to: 103  - symbol: Y  # 130    coordinates: [  0.362423520000000,  0.166666666666667,  0.853600940000000 ]    mass: 88.905850    reduced_to: 103  - symbol: Y  # 131    coordinates: [  0.362423520000000,  0.500000000000000,  0.853600940000000 ]    mass: 88.905850    reduced_to: 103  - symbol: Y  # 132    coordinates: [  0.362423520000000,  0.833333333333333,  0.853600940000000 ]    mass: 88.905850    reduced_to: 103  - symbol: Y  # 133    coordinates: [  0.412068190000000,  0.000000000000000,  0.022880720000000 ]    mass: 88.905850    reduced_to: 109  - symbol: Y  # 134    coordinates: [  0.412068190000000,  0.333333333333333,  0.022880720000000 ]    mass: 88.905850    reduced_to: 109  - symbol: Y  # 135    coordinates: [  0.412068190000000,  0.666666666666667,  0.022880720000000 ]    mass: 88.905850    reduced_to: 109  - symbol: Y  # 136    coordinates: [  0.412068190000000,  0.000000000000000,  0.522880720000000 ]    mass: 88.905850    reduced_to: 109  - symbol: Y  # 137    coordinates: [  0.412068190000000,  0.333333333333333,  0.522880720000000 ]    mass: 88.905850    reduced_to: 109  - symbol: Y  # 138    coordinates: [  0.412068190000000,  0.666666666666667,  0.522880720000000 ]    mass: 88.905850    reduced_to: 109  - symbol: Y  # 139    coordinates: [  0.587931810000000,  0.000000000000000,  0.477119280000000 ]    mass: 88.905850    reduced_to: 115  - symbol: Y  # 140    coordinates: [  0.587931810000000,  0.333333333333333,  0.477119280000000 ]    mass: 88.905850    reduced_to: 115  - symbol: Y  # 141    coordinates: [  0.587931810000000,  0.666666666666667,  0.477119280000000 ]    mass: 88.905850    reduced_to: 115  - symbol: Y  # 142    coordinates: [  0.587931810000000,  0.000000000000000,  0.977119280000000 ]    mass: 88.905850    reduced_to: 115  - symbol: Y  # 143    coordinates: [  0.587931810000000,  0.333333333333333,  0.977119280000000 ]    mass: 88.905850    reduced_to: 115  - symbol: Y  # 144    coordinates: [  0.587931810000000,  0.666666666666667,  0.977119280000000 ]    mass: 88.905850    reduced_to: 115born_effective_charge:- # 1 (N)  - [ -2.315504290000000, -0.000000000000000, -0.230633850000000 ]  - [ -0.000000000000000, -3.667640180000000,  0.000000000000000 ]  - [ -0.186781100000000, -0.000000000000000, -2.953168660000000 ]- # 2 (N)  - [ -2.315504290000000, -0.000000000000000, -0.230633850000000 ]  - [ -0.000000000000000, -3.667640180000000,  0.000000000000000 ]  - [ -0.186781100000000, -0.000000000000000, -2.953168660000000 ]- # 3 (Cl)  - [ -0.989042110000000,  0.000000000000000, -0.130654380000000 ]  - [ -0.000000000000000, -1.112450820000000,  0.000000000000000 ]  - [ -0.132977910000000, -0.000000000000000, -0.921476870000000 ]- # 4 (Cl)  - [ -0.989042110000000,  0.000000000000000, -0.130654380000000 ]  - [ -0.000000000000000, -1.112450820000000,  0.000000000000000 ]  - [ -0.132977910000000, -0.000000000000000, -0.921476870000000 ]- # 5 (Cl)  - [ -0.751930920000000, -0.000000000000000, -0.312239320000000 ]  - [ -0.000000000000000, -1.257122200000000,  0.000000000000000 ]  - [ -0.407262060000000,  0.000000000000000, -1.786475740000000 ]- # 6 (Cl)  - [ -0.751930920000000, -0.000000000000000, -0.312239320000000 ]  - [ -0.000000000000000, -1.257122200000000,  0.000000000000000 ]  - [ -0.407262060000000,  0.000000000000000, -1.786475740000000 ]- # 7 (Cl)  - [ -1.570157330000000,  0.000000000000000,  0.027694790000000 ]  - [  0.000000000000000, -1.055615460000000, -0.000000000000000 ]  - [  0.033415890000000, -0.000000000000000, -0.905737090000000 ]- # 8 (Cl)  - [ -1.570157330000000,  0.000000000000000,  0.027694790000000 ]  - [  0.000000000000000, -1.055615460000000, -0.000000000000000 ]  - [  0.033415890000000, -0.000000000000000, -0.905737090000000 ]- # 9 (Y)  - [  2.457301250000000,  0.000000000000000,  0.304257800000000 ]  - [  0.000000000000000,  4.442160440000000, -0.000000000000000 ]  - [  0.532780490000000,  0.000000000000000,  3.684114680000000 ]- # 10 (Y)  - [  2.457301250000000,  0.000000000000000,  0.304257800000000 ]  - [  0.000000000000000,  4.442160440000000, -0.000000000000000 ]  - [  0.532780490000000,  0.000000000000000,  3.684114680000000 ]- # 11 (Y)  - [  3.169333400000000, -0.000000000000000,  0.341574950000000 ]  - [ -0.000000000000000,  2.650668230000000, -0.000000000000000 ]  - [  0.160824710000000, -0.000000000000000,  2.882743660000000 ]- # 12 (Y)  - [  3.169333400000000, -0.000000000000000,  0.341574950000000 ]  - [ -0.000000000000000,  2.650668230000000, -0.000000000000000 ]  - [  0.160824710000000, -0.000000000000000,  2.882743660000000 ]dielectric_constant:  - [  3.820518990000000,  0.000000000000000,  0.217013110000000 ]  - [  0.000000000000000,  4.341118430000000,  0.000000000000000 ]  - [  0.217009950000000,  0.000000000000000,  4.084432480000000 ]displacements:- atom:    1  displacement:    [   0.0099998977798981,  0.0000000000000000,  0.0000452149487271 ]  forces:  - [  -0.1205281200000000,  0.0000000000000000,  0.0010236300000000 ]  - [  -0.0034286500000000,  0.0013024100000000, -0.0016087300000000 ]  - [  -0.0034286500000000, -0.0013024100000000, -0.0016087300000000 ]  - [   0.0003588100000000,  0.0000000000000000, -0.0008031900000000 ]  - [   0.0003418200000000,  0.0000095300000000, -0.0007560100000000 ]  - [   0.0003418200000000, -0.0000095300000000, -0.0007560100000000 ]  - [  -0.0002123200000000,  0.0000000000000000,  0.0002275300000000 ]  - [  -0.0002493500000000, -0.0000484700000000,  0.0002758200000000 ]  - [  -0.0002493500000000,  0.0000484700000000,  0.0002758200000000 ]  - [  -0.0171345200000000,  0.0000000000000000,  0.0133386200000000 ]  - [  -0.0034813000000000, -0.0009649100000000,  0.0003523700000000 ]  - [  -0.0034813000000000,  0.0009649100000000,  0.0003523700000000 ]  - [   0.0020256800000000,  0.0002338900000000, -0.0004950400000000 ]  - [   0.0020256800000000, -0.0002338900000000, -0.0004950400000000 ]  - [   0.0014684900000000,  0.0000000000000000, -0.0005651100000000 ]  - [   0.0002875100000000,  0.0000804500000000, -0.0000783200000000 ]  - [   0.0002875100000000, -0.0000804500000000, -0.0000783200000000 ]  - [   0.0003031800000000,  0.0000000000000000, -0.0001873100000000 ]  - [  -0.0003684300000000,  0.0000259900000000,  0.0011284700000000 ]  - [  -0.0003684300000000, -0.0000259900000000,  0.0011284700000000 ]  - [  -0.0002841700000000,  0.0000000000000000,  0.0009860600000000 ]  - [   0.0011893700000000, -0.0001502800000000,  0.0004044000000000 ]  - [   0.0011893700000000,  0.0001502800000000,  0.0004044000000000 ]  - [   0.0008201500000000,  0.0000000000000000,  0.0005028500000000 ]  - [   0.0038582500000000,  0.0079629000000000, -0.0023166000000000 ]  - [   0.0038582500000000, -0.0079629000000000, -0.0023166000000000 ]  - [  -0.0005584100000000,  0.0000000000000000,  0.0001245200000000 ]  - [   0.0000098500000000,  0.0000002300000000,  0.0001706900000000 ]  - [   0.0000098500000000, -0.0000002300000000,  0.0001706900000000 ]  - [   0.0000009700000000,  0.0000000000000000,  0.0001900900000000 ]  - [   0.0000345200000000,  0.0000147200000000, -0.0003721700000000 ]  - [   0.0000345200000000, -0.0000147200000000, -0.0003721700000000 ]  - [  -0.0000143500000000,  0.0000000000000000, -0.0003023300000000 ]  - [  -0.0012338600000000, -0.0031460400000000, -0.0026423900000000 ]  - [  -0.0012338600000000,  0.0031460400000000, -0.0026423900000000 ]  - [  -0.0003534700000000,  0.0000000000000000, -0.0005007900000000 ]  - [   0.0003884500000000,  0.0000000000000000, -0.0003169500000000 ]  - [   0.0002877400000000, -0.0000654800000000, -0.0002095500000000 ]  - [   0.0002877400000000,  0.0000654800000000, -0.0002095500000000 ]  - [  -0.0001832600000000,  0.0000000000000000,  0.0004010500000000 ]  - [  -0.0002182400000000, -0.0000886300000000,  0.0000338900000000 ]  - [  -0.0002182400000000,  0.0000886300000000,  0.0000338900000000 ]  - [  -0.0021414600000000,  0.0000000000000000, -0.0010882600000000 ]  - [  -0.0006551400000000,  0.0008153200000000,  0.0007880700000000 ]  - [  -0.0006551400000000, -0.0008153200000000,  0.0007880700000000 ]  - [   0.0001053700000000,  0.0000000000000000, -0.0001260100000000 ]  - [   0.0000619100000000,  0.0000154100000000, -0.0000650500000000 ]  - [   0.0000619100000000, -0.0000154100000000, -0.0000650500000000 ]  - [   0.0024192000000000,  0.0000000000000000, -0.0000345200000000 ]  - [   0.0008481400000000, -0.0002310800000000,  0.0000275200000000 ]  - [   0.0008481400000000,  0.0002310800000000,  0.0000275200000000 ]  - [   0.0000480700000000,  0.0000000000000000,  0.0001259800000000 ]  - [   0.0000505100000000, -0.0000069100000000,  0.0000727500000000 ]  - [   0.0000505100000000,  0.0000069100000000,  0.0000727500000000 ]  - [  -0.0001529000000000,  0.0000000000000000, -0.0000160700000000 ]  - [  -0.0001293300000000, -0.0000145300000000,  0.0000942800000000 ]  - [  -0.0001293300000000,  0.0000145300000000,  0.0000942800000000 ]  - [   0.0015172600000000,  0.0000000000000000, -0.0002786800000000 ]  - [   0.0007803900000000,  0.0003719900000000, -0.0003828700000000 ]  - [   0.0007803900000000, -0.0003719900000000, -0.0003828700000000 ]  - [   0.0008710800000000,  0.0000000000000000,  0.0003098100000000 ]  - [   0.0006479400000000,  0.0002006700000000,  0.0003442100000000 ]  - [   0.0006479400000000, -0.0002006700000000,  0.0003442100000000 ]  - [   0.0000124800000000,  0.0000000000000000,  0.0003468900000000 ]  - [   0.0000069400000000, -0.0000153000000000,  0.0003343100000000 ]  - [   0.0000069400000000,  0.0000153000000000,  0.0003343100000000 ]  - [  -0.0000052000000000,  0.0000000000000000, -0.0000340600000000 ]  - [   0.0000454800000000,  0.0000174800000000, -0.0000926500000000 ]  - [   0.0000454800000000, -0.0000174800000000, -0.0000926500000000 ]  - [   0.0006397400000000,  0.0000000000000000, -0.0000212000000000 ]  - [   0.0004629200000000, -0.0001167300000000, -0.0001008500000000 ]  - [   0.0004629200000000,  0.0001167300000000, -0.0001008500000000 ]  - [  -0.0003662700000000, -0.0003949700000000,  0.0008806600000000 ]  - [  -0.0003662700000000,  0.0003949700000000,  0.0008806600000000 ]  - [  -0.0000930600000000,  0.0000000000000000,  0.0000553100000000 ]  - [   0.0001665800000000, -0.0000061300000000, -0.0001010600000000 ]  - [   0.0001665800000000,  0.0000061300000000, -0.0001010600000000 ]  - [   0.0001536700000000,  0.0000000000000000, -0.0000905800000000 ]  - [   0.0001819100000000,  0.0000228800000000,  0.0001270100000000 ]  - [   0.0001819100000000, -0.0000228800000000,  0.0001270100000000 ]  - [   0.0001581600000000,  0.0000000000000000,  0.0001326900000000 ]  - [  -0.0001196400000000,  0.0000364800000000,  0.0006345900000000 ]  - [  -0.0001196400000000, -0.0000364800000000,  0.0006345900000000 ]  - [  -0.0001111500000000,  0.0000000000000000,  0.0002432600000000 ]  - [   0.0064357600000000, -0.0075146300000000, -0.0021442400000000 ]  - [   0.0064357600000000,  0.0075146300000000, -0.0021442400000000 ]  - [  -0.0002743500000000,  0.0000000000000000,  0.0000043300000000 ]  - [   0.0000465800000000,  0.0000093200000000, -0.0000558500000000 ]  - [   0.0000465800000000, -0.0000093200000000, -0.0000558500000000 ]  - [   0.0000393800000000,  0.0000000000000000, -0.0000351100000000 ]  - [   0.0000177700000000,  0.0000038000000000, -0.0000256600000000 ]  - [   0.0000177700000000, -0.0000038000000000, -0.0000256600000000 ]  - [   0.0000165400000000,  0.0000000000000000, -0.0000173400000000 ]  - [   0.0009629300000000,  0.0046761300000000,  0.0027869400000000 ]  - [   0.0009629300000000, -0.0046761300000000,  0.0027869400000000 ]  - [  -0.0001106700000000,  0.0000000000000000,  0.0001585100000000 ]  - [   0.0162162500000000, -0.0005453000000000,  0.0027601200000000 ]  - [   0.0162162500000000,  0.0005453000000000,  0.0027601200000000 ]  - [   0.0007087700000000,  0.0000000000000000,  0.0001647700000000 ]  - [  -0.0003638200000000,  0.0000421000000000,  0.0005350400000000 ]  - [  -0.0003638200000000, -0.0000421000000000,  0.0005350400000000 ]  - [  -0.0003180600000000,  0.0000000000000000,  0.0004901000000000 ]  - [  -0.0000806900000000, -0.0001230300000000,  0.0001203900000000 ]  - [  -0.0000806900000000,  0.0001230300000000,  0.0001203900000000 ]  - [   0.0000469500000000,  0.0000000000000000,  0.0000401600000000 ]  - [   0.0030019600000000, -0.0023961300000000, -0.0016636200000000 ]  - [   0.0030019600000000,  0.0023961300000000, -0.0016636200000000 ]  - [   0.0009619800000000,  0.0000000000000000, -0.0006398100000000 ]  - [   0.0460802600000000,  0.0000000000000000,  0.0052582000000000 ]  - [   0.0032216700000000,  0.0037343700000000, -0.0013886800000000 ]  - [   0.0032216700000000, -0.0037343700000000, -0.0013886800000000 ]  - [   0.0000801000000000,  0.0000000000000000, -0.0000152600000000 ]  - [   0.0000803500000000, -0.0000104600000000, -0.0000418400000000 ]  - [   0.0000803500000000,  0.0000104600000000, -0.0000418400000000 ]  - [  -0.0001707000000000,  0.0000000000000000,  0.0005030700000000 ]  - [  -0.0001312100000000,  0.0000614500000000,  0.0004316700000000 ]  - [  -0.0001312100000000, -0.0000614500000000,  0.0004316700000000 ]  - [   0.0372106200000000,  0.0000000000000000, -0.0131601800000000 ]  - [   0.0033996500000000, -0.0028157600000000,  0.0017895300000000 ]  - [   0.0033996500000000,  0.0028157600000000,  0.0017895300000000 ]  - [  -0.0022837900000000,  0.0000000000000000,  0.0005979300000000 ]  - [  -0.0013865000000000,  0.0000615800000000,  0.0003337200000000 ]  - [  -0.0013865000000000, -0.0000615800000000,  0.0003337200000000 ]  - [  -0.0001666000000000,  0.0000000000000000, -0.0003805400000000 ]  - [  -0.0001047800000000,  0.0002150900000000, -0.0001485100000000 ]  - [  -0.0001047800000000, -0.0002150900000000, -0.0001485100000000 ]  - [   0.0010156000000000,  0.0000000000000000, -0.0011469400000000 ]  - [   0.0004483800000000, -0.0003924600000000, -0.0009845800000000 ]  - [   0.0004483800000000,  0.0003924600000000, -0.0009845800000000 ]  - [  -0.0011844500000000,  0.0000000000000000,  0.0001641100000000 ]  - [  -0.0006779700000000, -0.0000178200000000, -0.0000065500000000 ]  - [  -0.0006779700000000,  0.0000178200000000, -0.0000065500000000 ]  - [  -0.0030299600000000,  0.0002985000000000, -0.0000628500000000 ]  - [  -0.0030299600000000, -0.0002985000000000, -0.0000628500000000 ]  - [  -0.0010390400000000,  0.0000000000000000, -0.0002844400000000 ]  - [   0.0002396500000000, -0.0000577400000000, -0.0005092200000000 ]  - [   0.0002396500000000,  0.0000577400000000, -0.0005092200000000 ]  - [   0.0002276700000000,  0.0000000000000000, -0.0005103900000000 ]  - [  -0.0002229600000000,  0.0000001700000000, -0.0001955300000000 ]  - [  -0.0002229600000000, -0.0000001700000000, -0.0001955300000000 ]  - [  -0.0002196500000000,  0.0000000000000000, -0.0001390100000000 ]  - [  -0.0025045400000000, -0.0004988300000000, -0.0002753400000000 ]  - [  -0.0025045400000000,  0.0004988300000000, -0.0002753400000000 ]  - [  -0.0013247700000000,  0.0000000000000000, -0.0001007800000000 ]- atom:    1  displacement:    [  -0.0099998977798981,  0.0000000000000000, -0.0000452149487271 ]  forces:  - [   0.1231424700000000,  0.0000000000000000,  0.0003267100000000 ]  - [   0.0040564400000000, -0.0013612100000000,  0.0005829800000000 ]  - [   0.0040564400000000,  0.0013612100000000,  0.0005829800000000 ]  - [   0.0002524600000000,  0.0000000000000000, -0.0002779900000000 ]  - [   0.0002694500000000, -0.0000093700000000, -0.0003250000000000 ]  - [   0.0002694500000000,  0.0000093700000000, -0.0003250000000000 ]  - [  -0.0003970700000000,  0.0000000000000000,  0.0008528800000000 ]  - [  -0.0003600600000000,  0.0000485700000000,  0.0008041800000000 ]  - [  -0.0003600600000000, -0.0000485700000000,  0.0008041800000000 ]  - [   0.0166657100000000,  0.0000000000000000, -0.0121791900000000 ]  - [   0.0028842000000000,  0.0009694300000000,  0.0007320800000000 ]  - [   0.0028842000000000, -0.0009694300000000,  0.0007320800000000 ]  - [  -0.0014214800000000, -0.0002386900000000, -0.0005789600000000 ]  - [  -0.0014214800000000,  0.0002386900000000, -0.0005789600000000 ]  - [  -0.0008611700000000,  0.0000000000000000, -0.0005113400000000 ]  - [   0.0003217200000000, -0.0000807500000000, -0.0010071000000000 ]  - [   0.0003217200000000,  0.0000807500000000, -0.0010071000000000 ]  - [   0.0003063400000000,  0.0000000000000000, -0.0008964000000000 ]  - [  -0.0002445700000000, -0.0000226400000000, -0.0000606700000000 ]  - [  -0.0002445700000000,  0.0000226400000000, -0.0000606700000000 ]  - [  -0.0003285000000000,  0.0000000000000000,  0.0000847600000000 ]  - [  -0.0018045500000000,  0.0001488500000000,  0.0006712400000000 ]  - [  -0.0018045500000000, -0.0001488500000000,  0.0006712400000000 ]  - [  -0.0014332100000000,  0.0000000000000000,  0.0005753100000000 ]  - [  -0.0038894900000000, -0.0080435700000000,  0.0028404000000000 ]  - [  -0.0038894900000000,  0.0080435700000000,  0.0028404000000000 ]  - [   0.0005588800000000,  0.0000000000000000,  0.0003554000000000 ]  - [  -0.0000177100000000, -0.0000002200000000,  0.0003051000000000 ]  - [  -0.0000177100000000,  0.0000002200000000,  0.0003051000000000 ]  - [  -0.0000088400000000,  0.0000000000000000,  0.0002856500000000 ]  - [  -0.0000252700000000, -0.0000147800000000, -0.0001046300000000 ]  - [  -0.0000252700000000,  0.0000147800000000, -0.0001046300000000 ]  - [   0.0000235000000000,  0.0000000000000000, -0.0001746500000000 ]  - [   0.0012408300000000,  0.0031301400000000,  0.0021619200000000 ]  - [   0.0012408300000000, -0.0031301400000000,  0.0021619200000000 ]  - [   0.0003605800000000,  0.0000000000000000,  0.0000263200000000 ]  - [  -0.0002989300000000,  0.0000000000000000,  0.0001618700000000 ]  - [  -0.0001979000000000,  0.0000658200000000,  0.0000527500000000 ]  - [  -0.0001979000000000, -0.0000658200000000,  0.0000527500000000 ]  - [   0.0002716900000000,  0.0000000000000000, -0.0005597900000000 ]  - [   0.0003066900000000,  0.0000884200000000, -0.0001934300000000 ]  - [   0.0003066900000000, -0.0000884200000000, -0.0001934300000000 ]  - [   0.0020496400000000,  0.0000000000000000,  0.0011973400000000 ]  - [   0.0005724200000000, -0.0008303100000000, -0.0006437000000000 ]  - [   0.0005724200000000,  0.0008303100000000, -0.0006437000000000 ]  - [  -0.0001950800000000,  0.0000000000000000,  0.0002827400000000 ]  - [  -0.0001517400000000, -0.0000152000000000,  0.0002222700000000 ]  - [  -0.0001517400000000,  0.0000152000000000,  0.0002222700000000 ]  - [  -0.0023387200000000,  0.0000000000000000,  0.0000309600000000 ]  - [  -0.0007469200000000,  0.0002332600000000, -0.0000316600000000 ]  - [  -0.0007469200000000, -0.0002332600000000, -0.0000316600000000 ]  - [   0.0000530900000000,  0.0000000000000000, -0.0001330900000000 ]  - [   0.0000507300000000,  0.0000067600000000, -0.0000798200000000 ]  - [   0.0000507300000000, -0.0000067600000000, -0.0000798200000000 ]  - [   0.0000516200000000,  0.0000000000000000,  0.0000156300000000 ]  - [   0.0000281100000000,  0.0000143600000000, -0.0000911800000000 ]  - [   0.0000281100000000, -0.0000143600000000, -0.0000911800000000 ]  - [  -0.0016227300000000,  0.0000000000000000,  0.0002870600000000 ]  - [  -0.0008830800000000, -0.0003702700000000,  0.0003881800000000 ]  - [  -0.0008830800000000,  0.0003702700000000,  0.0003881800000000 ]  - [  -0.0008809400000000,  0.0000000000000000,  0.0001681300000000 ]  - [  -0.0006568100000000, -0.0001998700000000,  0.0001339300000000 ]  - [  -0.0006568100000000,  0.0001998700000000,  0.0001339300000000 ]  - [  -0.0000199300000000,  0.0000000000000000,  0.0001265800000000 ]  - [  -0.0000142100000000,  0.0000152200000000,  0.0001399700000000 ]  - [  -0.0000142100000000, -0.0000152200000000,  0.0001399700000000 ]  - [   0.0000094900000000,  0.0000000000000000, -0.0004456200000000 ]  - [  -0.0000399700000000, -0.0000180200000000, -0.0003856500000000 ]  - [  -0.0000399700000000,  0.0000180200000000, -0.0003856500000000 ]  - [  -0.0006363700000000,  0.0000000000000000, -0.0004571500000000 ]  - [  -0.0004576300000000,  0.0001185500000000, -0.0003765100000000 ]  - [  -0.0004576300000000, -0.0001185500000000, -0.0003765100000000 ]  - [   0.0004383800000000,  0.0003928600000000, -0.0010544800000000 ]  - [   0.0004383800000000, -0.0003928600000000, -0.0010544800000000 ]  - [   0.0001790600000000,  0.0000000000000000, -0.0002165400000000 ]  - [  -0.0000784000000000,  0.0000057400000000, -0.0000609800000000 ]  - [  -0.0000784000000000, -0.0000057400000000, -0.0000609800000000 ]  - [  -0.0000653200000000,  0.0000000000000000, -0.0000711300000000 ]  - [  -0.0002714100000000, -0.0000233400000000,  0.0000353100000000 ]  - [  -0.0002714100000000,  0.0000233400000000,  0.0000353100000000 ]  - [  -0.0002473500000000,  0.0000000000000000,  0.0000293000000000 ]  - [   0.0000324400000000, -0.0000362700000000, -0.0004801500000000 ]  - [   0.0000324400000000,  0.0000362700000000, -0.0004801500000000 ]  - [   0.0000227100000000,  0.0000000000000000, -0.0000858700000000 ]  - [  -0.0062795400000000,  0.0074395900000000,  0.0021300600000000 ]  - [  -0.0062795400000000, -0.0074395900000000,  0.0021300600000000 ]  - [   0.0003695100000000,  0.0000000000000000, -0.0000068600000000 ]  - [   0.0000575800000000, -0.0000093400000000,  0.0000486600000000 ]  - [   0.0000575800000000,  0.0000093400000000,  0.0000486600000000 ]  - [   0.0000643100000000,  0.0000000000000000,  0.0000280500000000 ]  - [  -0.0001216600000000, -0.0000036500000000,  0.0000316200000000 ]  - [  -0.0001216600000000,  0.0000036500000000,  0.0000316200000000 ]  - [  -0.0001203800000000,  0.0000000000000000,  0.0000232700000000 ]  - [  -0.0010681900000000, -0.0047340500000000, -0.0028079600000000 ]  - [  -0.0010681900000000,  0.0047340500000000, -0.0028079600000000 ]  - [   0.0000126700000000,  0.0000000000000000, -0.0001510400000000 ]  - [  -0.0167249800000000,  0.0004750500000000, -0.0022452100000000 ]  - [  -0.0167249800000000, -0.0004750500000000, -0.0022452100000000 ]  - [  -0.0011678900000000,  0.0000000000000000,  0.0003664300000000 ]  - [  -0.0000954600000000, -0.0000418400000000,  0.0000026500000000 ]  - [  -0.0000954600000000,  0.0000418400000000,  0.0000026500000000 ]  - [  -0.0001406700000000,  0.0000000000000000,  0.0000470700000000 ]  - [   0.0005383700000000,  0.0001239500000000, -0.0006579600000000 ]  - [   0.0005383700000000, -0.0001239500000000, -0.0006579600000000 ]  - [   0.0004110400000000,  0.0000000000000000, -0.0005766000000000 ]  - [  -0.0025531900000000,  0.0023797700000000,  0.0011438900000000 ]  - [  -0.0025531900000000, -0.0023797700000000,  0.0011438900000000 ]  - [  -0.0005058900000000,  0.0000000000000000,  0.0001060600000000 ]  - [  -0.0483537700000000,  0.0000000000000000, -0.0070362400000000 ]  - [  -0.0029587300000000, -0.0037643700000000,  0.0009656500000000 ]  - [  -0.0029587300000000,  0.0037643700000000,  0.0009656500000000 ]  - [   0.0002355600000000,  0.0000000000000000, -0.0003905700000000 ]  - [   0.0002350200000000,  0.0000102100000000, -0.0003643500000000 ]  - [   0.0002350200000000, -0.0000102100000000, -0.0003643500000000 ]  - [  -0.0001476900000000,  0.0000000000000000, -0.0000941800000000 ]  - [  -0.0001864100000000, -0.0000611100000000, -0.0000231100000000 ]  - [  -0.0001864100000000,  0.0000611100000000, -0.0000231100000000 ]  - [  -0.0370196500000000,  0.0000000000000000,  0.0124704800000000 ]  - [  -0.0036851000000000,  0.0028050500000000, -0.0014096000000000 ]  - [  -0.0036851000000000, -0.0028050500000000, -0.0014096000000000 ]  - [   0.0018347200000000,  0.0000000000000000, -0.0000772200000000 ]  - [   0.0009295700000000, -0.0000638700000000,  0.0001926000000000 ]  - [   0.0009295700000000,  0.0000638700000000,  0.0001926000000000 ]  - [  -0.0002922600000000,  0.0000000000000000,  0.0009202200000000 ]  - [  -0.0003538100000000, -0.0002159500000000,  0.0006873400000000 ]  - [  -0.0003538100000000,  0.0002159500000000,  0.0006873400000000 ]  - [  -0.0005420200000000,  0.0000000000000000,  0.0006371400000000 ]  - [   0.0000165000000000,  0.0003975200000000,  0.0004646500000000 ]  - [   0.0000165000000000, -0.0003975200000000,  0.0004646500000000 ]  - [   0.0016475500000000,  0.0000000000000000, -0.0006912700000000 ]  - [   0.0011394200000000,  0.0000164000000000, -0.0005217700000000 ]  - [   0.0011394200000000, -0.0000164000000000, -0.0005217700000000 ]  - [   0.0033435400000000, -0.0002983600000000, -0.0003459900000000 ]  - [   0.0033435400000000,  0.0002983600000000, -0.0003459900000000 ]  - [   0.0013566500000000,  0.0000000000000000, -0.0001253200000000 ]  - [   0.0000736800000000,  0.0000568700000000,  0.0001107900000000 ]  - [   0.0000736800000000, -0.0000568700000000,  0.0001107900000000 ]  - [   0.0000850100000000,  0.0000000000000000,  0.0001101900000000 ]  - [  -0.0000859500000000, -0.0000006700000000,  0.0006084700000000 ]  - [  -0.0000859500000000,  0.0000006700000000,  0.0006084700000000 ]  - [  -0.0000901800000000,  0.0000000000000000,  0.0005507300000000 ]  - [   0.0022074100000000,  0.0005063600000000,  0.0006851200000000 ]  - [   0.0022074100000000, -0.0005063600000000,  0.0006851200000000 ]  - [   0.0010137500000000,  0.0000000000000000,  0.0005078500000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000371500000000, -0.1050391900000000, -0.0019162900000000 ]  - [  -0.0010084600000000,  0.0162576500000000, -0.0065440300000000 ]  - [   0.0016012000000000,  0.0161632100000000,  0.0054057100000000 ]  - [   0.0003046000000000, -0.0000697600000000, -0.0005376400000000 ]  - [   0.0002950400000000,  0.0000342700000000, -0.0005063100000000 ]  - [   0.0003142200000000,  0.0000351800000000, -0.0005686200000000 ]  - [  -0.0003054600000000, -0.0002128000000000,  0.0005402100000000 ]  - [  -0.0003545600000000,  0.0001074900000000,  0.0005938500000000 ]  - [  -0.0002570300000000,  0.0001085400000000,  0.0004865800000000 ]  - [  -0.0002821700000000, -0.0090407200000000,  0.0006197900000000 ]  - [  -0.0012589600000000,  0.0009272800000000, -0.0032698700000000 ]  - [   0.0006410900000000,  0.0009481000000000,  0.0043099800000000 ]  - [   0.0000717000000000, -0.0003418100000000, -0.0007322100000000 ]  - [   0.0005424600000000, -0.0003443300000000, -0.0003507500000000 ]  - [   0.0003062000000000,  0.0007280600000000, -0.0005410200000000 ]  - [   0.0002260600000000, -0.0000460200000000, -0.0007180400000000 ]  - [   0.0003856300000000, -0.0000481200000000, -0.0003493100000000 ]  - [   0.0003063800000000,  0.0000998500000000, -0.0005339800000000 ]  - [  -0.0002768900000000, -0.0007072200000000, -0.0002350900000000 ]  - [  -0.0003326300000000, -0.0007131300000000,  0.0013273700000000 ]  - [  -0.0003031400000000,  0.0014367500000000,  0.0005469400000000 ]  - [  -0.0004553000000000, -0.0002133000000000,  0.0008917800000000 ]  - [  -0.0001529800000000, -0.0002160000000000,  0.0001847000000000 ]  - [  -0.0003042500000000,  0.0004271100000000,  0.0005378900000000 ]  - [   0.0074076100000000,  0.0030597400000000, -0.0000824400000000 ]  - [  -0.0074770100000000,  0.0030362200000000,  0.0005641900000000 ]  - [  -0.0000075500000000,  0.0018264600000000,  0.0002356100000000 ]  - [  -0.0000078200000000, -0.0000127600000000,  0.0002447000000000 ]  - [   0.0000008400000000, -0.0000130400000000,  0.0002330200000000 ]  - [  -0.0000033000000000,  0.0000257100000000,  0.0002385700000000 ]  - [   0.0000857500000000, -0.0000383700000000, -0.0003490300000000 ]  - [  -0.0000800600000000, -0.0000387600000000, -0.0001263600000000 ]  - [   0.0000022200000000,  0.0000769800000000, -0.0002370500000000 ]  - [   0.0003353100000000, -0.0018481000000000, -0.0004335900000000 ]  - [  -0.0003334200000000, -0.0018900700000000, -0.0000346600000000 ]  - [   0.0000024800000000,  0.0011410500000000, -0.0002401300000000 ]  - [   0.0000447900000000, -0.0001869900000000, -0.0000806600000000 ]  - [  -0.0000951000000000,  0.0000991400000000,  0.0000508400000000 ]  - [   0.0001840600000000,  0.0000994800000000, -0.0002115100000000 ]  - [   0.0000468500000000, -0.0001771600000000, -0.0000736300000000 ]  - [  -0.0000273900000000,  0.0000231100000000, -0.0001012900000000 ]  - [   0.0001183400000000,  0.0000293100000000, -0.0000532800000000 ]  - [  -0.0000470700000000, -0.0046737900000000,  0.0000388500000000 ]  - [  -0.0006554300000000,  0.0048234300000000,  0.0041310100000000 ]  - [   0.0005547100000000,  0.0047843100000000, -0.0039293100000000 ]  - [  -0.0000453200000000, -0.0000321500000000,  0.0000808700000000 ]  - [  -0.0000333100000000,  0.0000140900000000, -0.0000000200000000 ]  - [  -0.0000568400000000,  0.0000144700000000,  0.0001610100000000 ]  - [   0.0000556600000000, -0.0003070700000000, -0.0000044300000000 ]  - [  -0.0004844200000000,  0.0001777400000000, -0.0001929800000000 ]  - [   0.0005863700000000,  0.0001796300000000,  0.0001846200000000 ]  - [   0.0000512600000000, -0.0000707800000000, -0.0000009200000000 ]  - [   0.0000626400000000,  0.0000363900000000,  0.0000306700000000 ]  - [   0.0000397500000000,  0.0000368100000000, -0.0000337500000000 ]  - [  -0.0000520500000000, -0.0001032400000000,  0.0000011900000000 ]  - [  -0.0000202900000000,  0.0000283600000000,  0.0003807400000000 ]  - [  -0.0000820300000000,  0.0000293000000000, -0.0003695600000000 ]  - [  -0.0000559500000000, -0.0006162900000000,  0.0000017200000000 ]  - [   0.0006123500000000,  0.0004115200000000, -0.0003136100000000 ]  - [  -0.0007141700000000,  0.0004124000000000,  0.0003170900000000 ]  - [  -0.0000027200000000, -0.0004993700000000,  0.0002370600000000 ]  - [   0.0004257800000000,  0.0003046800000000,  0.0002159500000000 ]  - [  -0.0004305400000000,  0.0003049600000000,  0.0002580300000000 ]  - [  -0.0000027400000000, -0.0000946800000000,  0.0002391200000000 ]  - [   0.0000238000000000,  0.0000497000000000,  0.0002988900000000 ]  - [  -0.0000291500000000,  0.0000503300000000,  0.0001801400000000 ]  - [   0.0000034900000000, -0.0003068000000000, -0.0002355900000000 ]  - [   0.0001409200000000,  0.0001394600000000,  0.0000191600000000 ]  - [  -0.0001317900000000,  0.0001397100000000, -0.0004914800000000 ]  - [   0.0000045400000000, -0.0001302400000000, -0.0002379800000000 ]  - [   0.0000021300000000,  0.0000560000000000, -0.0002784900000000 ]  - [   0.0000060500000000,  0.0000572900000000, -0.0001977800000000 ]  - [  -0.0024500400000000, -0.0009879800000000, -0.0039139500000000 ]  - [   0.0025637400000000, -0.0010053800000000,  0.0037786700000000 ]  - [   0.0000481100000000,  0.0009629100000000, -0.0000771900000000 ]  - [   0.0000557000000000, -0.0000310400000000, -0.0000601900000000 ]  - [   0.0000339600000000, -0.0000314600000000, -0.0000984100000000 ]  - [   0.0000447600000000,  0.0000626900000000, -0.0000793100000000 ]  - [  -0.0000789900000000, -0.0000850800000000,  0.0000684500000000 ]  - [  -0.0000105900000000, -0.0000855600000000,  0.0000902600000000 ]  - [  -0.0000447400000000,  0.0001760700000000,  0.0000793800000000 ]  - [  -0.0000463100000000, -0.0000135100000000,  0.0001901000000000 ]  - [  -0.0000391100000000, -0.0000149000000000, -0.0000209800000000 ]  - [  -0.0000440800000000,  0.0000533700000000,  0.0000809000000000 ]  - [  -0.0084189600000000,  0.0032129000000000,  0.0031511800000000 ]  - [   0.0085979700000000,  0.0031940500000000, -0.0031773600000000 ]  - [   0.0000552100000000,  0.0015982500000000, -0.0000060200000000 ]  - [   0.0000861400000000, -0.0000295700000000, -0.0000322900000000 ]  - [   0.0000145000000000, -0.0000299900000000,  0.0000275300000000 ]  - [   0.0000500400000000,  0.0000594000000000, -0.0000021900000000 ]  - [  -0.0000688400000000, -0.0000183700000000, -0.0000155600000000 ]  - [  -0.0000322200000000, -0.0000186600000000,  0.0000224900000000 ]  - [  -0.0000504700000000,  0.0000367800000000,  0.0000034600000000 ]  - [  -0.0003165500000000, -0.0015717700000000,  0.0000137500000000 ]  - [   0.0002292700000000, -0.0016095600000000, -0.0000045700000000 ]  - [  -0.0000510100000000,  0.0010820000000000,  0.0000006600000000 ]  - [  -0.0026424600000000,  0.0242812000000000, -0.0108538500000000 ]  - [   0.0024224100000000,  0.0259846100000000,  0.0126020100000000 ]  - [  -0.0002300000000000, -0.0113963300000000,  0.0002721300000000 ]  - [  -0.0002500400000000,  0.0000676100000000,  0.0002402700000000 ]  - [  -0.0002083000000000,  0.0000684900000000,  0.0002873900000000 ]  - [  -0.0002290700000000, -0.0001358000000000,  0.0002641100000000 ]  - [   0.0001092000000000,  0.0001917800000000, -0.0001056100000000 ]  - [   0.0003501700000000,  0.0001930000000000, -0.0004264000000000 ]  - [   0.0002309200000000, -0.0003862000000000, -0.0002659200000000 ]  - [  -0.0001093300000000,  0.0012644500000000, -0.0015191800000000 ]  - [   0.0005606800000000,  0.0013382200000000,  0.0009733800000000 ]  - [   0.0002291300000000, -0.0026799400000000, -0.0002641700000000 ]  - [   0.0001654300000000,  0.0202137000000000, -0.0001777000000000 ]  - [   0.0044356600000000, -0.0035796900000000,  0.0037959800000000 ]  - [  -0.0040766000000000, -0.0035788900000000, -0.0041634700000000 ]  - [   0.0001571300000000,  0.0000564100000000, -0.0002057700000000 ]  - [   0.0001490800000000, -0.0000279500000000, -0.0002248400000000 ]  - [   0.0001646600000000, -0.0000283200000000, -0.0001867400000000 ]  - [  -0.0001567600000000,  0.0002269400000000,  0.0002021200000000 ]  - [  -0.0000239000000000, -0.0001127000000000,  0.0000781100000000 ]  - [  -0.0002872100000000, -0.0001144700000000,  0.0003241100000000 ]  - [  -0.0001711900000000,  0.0194647000000000,  0.0002543500000000 ]  - [  -0.0021541600000000, -0.0035905300000000,  0.0057639300000000 ]  - [   0.0018127000000000, -0.0035867800000000, -0.0052982500000000 ]  - [  -0.0002321500000000,  0.0005239100000000,  0.0002695800000000 ]  - [  -0.0001945500000000, -0.0002653600000000,  0.0001935900000000 ]  - [  -0.0002659400000000, -0.0002666600000000,  0.0003431500000000 ]  - [  -0.0002322400000000,  0.0002773700000000,  0.0002573700000000 ]  - [  -0.0002248400000000, -0.0001427800000000,  0.0002906800000000 ]  - [  -0.0002371200000000, -0.0001470400000000,  0.0002298300000000 ]  - [   0.0002403600000000,  0.0031675800000000, -0.0002707900000000 ]  - [  -0.0008636300000000, -0.0015410700000000, -0.0026787500000000 ]  - [   0.0013094800000000, -0.0015430400000000,  0.0021183700000000 ]  - [   0.0002301200000000,  0.0003353600000000, -0.0002673400000000 ]  - [  -0.0000655900000000, -0.0001544100000000, -0.0000543700000000 ]  - [   0.0005227500000000, -0.0001557300000000, -0.0004783500000000 ]  - [   0.0023456600000000,  0.0005363400000000, -0.0006371300000000 ]  - [  -0.0020375000000000,  0.0005398600000000,  0.0002390900000000 ]  - [   0.0001545800000000, -0.0009224900000000, -0.0002002200000000 ]  - [   0.0001596200000000,  0.0001527000000000,  0.0000695700000000 ]  - [   0.0001551600000000,  0.0001560500000000, -0.0004862600000000 ]  - [   0.0001566100000000, -0.0003043800000000, -0.0002097100000000 ]  - [   0.0000466800000000,  0.0001276300000000,  0.0004480200000000 ]  - [  -0.0003639200000000,  0.0001280700000000, -0.0000521300000000 ]  - [  -0.0001593100000000, -0.0002546900000000,  0.0001982400000000 ]  - [  -0.0004060000000000,  0.0002506700000000,  0.0000211200000000 ]  - [   0.0000817500000000,  0.0002540800000000,  0.0003904200000000 ]  - [  -0.0001577500000000, -0.0005002100000000,  0.0002060600000000 ]- atom:    1  displacement:    [  -0.0051027950040762,  0.0000000000000000,  0.0086000862290081 ]  forces:  - [   0.0621742200000000,  0.0000000000000000, -0.1208021500000000 ]  - [   0.0013027000000000,  0.0044541000000000, -0.0082361700000000 ]  - [   0.0013027000000000, -0.0044541000000000, -0.0082361700000000 ]  - [   0.0000494300000000,  0.0000000000000000,  0.0002116600000000 ]  - [   0.0000990200000000, -0.0000312000000000,  0.0001159000000000 ]  - [   0.0000990200000000,  0.0000312000000000,  0.0001159000000000 ]  - [  -0.0006227900000000,  0.0000000000000000,  0.0009260100000000 ]  - [  -0.0005619400000000,  0.0000710700000000,  0.0008884300000000 ]  - [  -0.0005619400000000, -0.0000710700000000,  0.0008884300000000 ]  - [   0.0190769600000000,  0.0000000000000000,  0.0179397800000000 ]  - [   0.0011635100000000, -0.0027695100000000, -0.0030244500000000 ]  - [   0.0011635100000000,  0.0027695100000000, -0.0030244500000000 ]  - [  -0.0005315400000000,  0.0000448800000000, -0.0011762200000000 ]  - [  -0.0005315400000000, -0.0000448800000000, -0.0011762200000000 ]  - [  -0.0003087500000000,  0.0000000000000000, -0.0009251200000000 ]  - [   0.0007068800000000,  0.0001174700000000,  0.0008039400000000 ]  - [   0.0007068800000000, -0.0001174700000000,  0.0008039400000000 ]  - [   0.0006057100000000,  0.0000000000000000,  0.0004909600000000 ]  - [   0.0002302600000000, -0.0006879000000000,  0.0021427300000000 ]  - [   0.0002302600000000,  0.0006879000000000,  0.0021427300000000 ]  - [   0.0000650800000000,  0.0000000000000000,  0.0016222900000000 ]  - [  -0.0011790800000000,  0.0003783500000000,  0.0005333900000000 ]  - [  -0.0011790800000000, -0.0003783500000000,  0.0005333900000000 ]  - [  -0.0009088000000000,  0.0000000000000000,  0.0003646500000000 ]  - [  -0.0050202700000000, -0.0049100000000000, -0.0015114400000000 ]  - [  -0.0050202700000000,  0.0049100000000000, -0.0015114400000000 ]  - [  -0.0000844300000000,  0.0000000000000000, -0.0003426100000000 ]  - [  -0.0000747700000000,  0.0000088800000000,  0.0005140800000000 ]  - [  -0.0000747700000000, -0.0000088800000000,  0.0005140800000000 ]  - [  -0.0000389800000000,  0.0000000000000000,  0.0004541800000000 ]  - [  -0.0002651500000000, -0.0000326500000000,  0.0000389900000000 ]  - [  -0.0002651500000000,  0.0000326500000000,  0.0000389900000000 ]  - [  -0.0001624600000000,  0.0000000000000000, -0.0000675900000000 ]  - [   0.0003898700000000,  0.0061383100000000,  0.0023024100000000 ]  - [   0.0003898700000000, -0.0061383100000000,  0.0023024100000000 ]  - [   0.0000421500000000,  0.0000000000000000, -0.0004996100000000 ]  - [  -0.0003175000000000,  0.0000000000000000, -0.0001630200000000 ]  - [  -0.0002280300000000,  0.0000505200000000, -0.0001706200000000 ]  - [  -0.0002280300000000, -0.0000505200000000, -0.0001706200000000 ]  - [   0.0006413400000000,  0.0000000000000000,  0.0013683000000000 ]  - [   0.0003729800000000, -0.0005780900000000,  0.0007536400000000 ]  - [   0.0003729800000000,  0.0005780900000000,  0.0007536400000000 ]  - [   0.0014554100000000,  0.0000000000000000,  0.0103195900000000 ]  - [  -0.0000426900000000,  0.0015657800000000,  0.0012730800000000 ]  - [  -0.0000426900000000, -0.0015657800000000,  0.0012730800000000 ]  - [  -0.0002457800000000,  0.0000000000000000,  0.0005219100000000 ]  - [  -0.0001659500000000, -0.0000495200000000,  0.0003904000000000 ]  - [  -0.0001659500000000,  0.0000495200000000,  0.0003904000000000 ]  - [  -0.0003682200000000,  0.0000000000000000, -0.0003568800000000 ]  - [  -0.0004330200000000,  0.0000228300000000, -0.0003529800000000 ]  - [  -0.0004330200000000, -0.0000228300000000, -0.0003529800000000 ]  - [   0.0001866000000000,  0.0000000000000000,  0.0004523200000000 ]  - [   0.0001591100000000,  0.0000219300000000,  0.0003177400000000 ]  - [   0.0001591100000000, -0.0000219300000000,  0.0003177400000000 ]  - [  -0.0000182900000000,  0.0000000000000000,  0.0011239300000000 ]  - [  -0.0001102400000000,  0.0000475800000000,  0.0003957200000000 ]  - [  -0.0001102400000000, -0.0000475800000000,  0.0003957200000000 ]  - [  -0.0022292400000000,  0.0000000000000000, -0.0001278400000000 ]  - [  -0.0006158400000000, -0.0002887200000000, -0.0000121000000000 ]  - [  -0.0006158400000000,  0.0002887200000000, -0.0000121000000000 ]  - [  -0.0004433200000000,  0.0000000000000000, -0.0001496700000000 ]  - [  -0.0003400500000000, -0.0001970800000000, -0.0000881000000000 ]  - [  -0.0003400500000000,  0.0001970800000000, -0.0000881000000000 ]  - [   0.0001977700000000,  0.0000000000000000,  0.0007451900000000 ]  - [   0.0001043500000000,  0.0000189700000000,  0.0005925000000000 ]  - [   0.0001043500000000, -0.0000189700000000,  0.0005925000000000 ]  - [   0.0005000200000000,  0.0000000000000000,  0.0002078800000000 ]  - [   0.0002570100000000,  0.0000739400000000,  0.0000409400000000 ]  - [   0.0002570100000000, -0.0000739400000000,  0.0000409400000000 ]  - [  -0.0001269800000000,  0.0000000000000000, -0.0003974600000000 ]  - [  -0.0001025600000000, -0.0000468700000000, -0.0003626900000000 ]  - [  -0.0001025600000000,  0.0000468700000000, -0.0003626900000000 ]  - [   0.0018564200000000, -0.0003887200000000,  0.0010976500000000 ]  - [   0.0018564200000000,  0.0003887200000000,  0.0010976500000000 ]  - [   0.0004289400000000,  0.0000000000000000, -0.0001493400000000 ]  - [  -0.0000102800000000,  0.0000478500000000,  0.0001529000000000 ]  - [  -0.0000102800000000, -0.0000478500000000,  0.0001529000000000 ]  - [  -0.0000104400000000,  0.0000000000000000,  0.0001227800000000 ]  - [  -0.0001953200000000, -0.0000062000000000, -0.0001699200000000 ]  - [  -0.0001953200000000,  0.0000062000000000, -0.0001699200000000 ]  - [  -0.0001886200000000,  0.0000000000000000, -0.0001482800000000 ]  - [   0.0005531600000000,  0.0001195300000000,  0.0009134600000000 ]  - [   0.0005531600000000, -0.0001195300000000,  0.0009134600000000 ]  - [   0.0002448000000000,  0.0000000000000000,  0.0004048800000000 ]  - [  -0.0036937500000000,  0.0058579700000000, -0.0023708900000000 ]  - [  -0.0036937500000000, -0.0058579700000000, -0.0023708900000000 ]  - [   0.0006370000000000,  0.0000000000000000, -0.0006434600000000 ]  - [  -0.0001273400000000, -0.0000323100000000,  0.0002576200000000 ]  - [  -0.0001273400000000,  0.0000323100000000,  0.0002576200000000 ]  - [  -0.0000765400000000,  0.0000000000000000,  0.0002092300000000 ]  - [   0.0000002200000000, -0.0000034000000000,  0.0001478200000000 ]  - [   0.0000002200000000,  0.0000034000000000,  0.0001478200000000 ]  - [  -0.0000059800000000,  0.0000000000000000,  0.0001218200000000 ]  - [   0.0005199100000000,  0.0001686800000000, -0.0015817100000000 ]  - [   0.0005199100000000, -0.0001686800000000, -0.0015817100000000 ]  - [   0.0000689600000000,  0.0000000000000000, -0.0005899100000000 ]  - [  -0.0071702500000000, -0.0047359600000000,  0.0223002700000000 ]  - [  -0.0071702500000000,  0.0047359600000000,  0.0223002700000000 ]  - [  -0.0011870100000000,  0.0000000000000000,  0.0013239400000000 ]  - [   0.0000570900000000, -0.0001025200000000, -0.0006415800000000 ]  - [   0.0000570900000000,  0.0001025200000000, -0.0006415800000000 ]  - [  -0.0000524700000000,  0.0000000000000000, -0.0005176200000000 ]  - [   0.0007405200000000,  0.0000849500000000, -0.0003711600000000 ]  - [   0.0007405200000000, -0.0000849500000000, -0.0003711600000000 ]  - [   0.0005768400000000,  0.0000000000000000, -0.0003279200000000 ]  - [  -0.0027404000000000, -0.0065151400000000, -0.0025069000000000 ]  - [  -0.0027404000000000,  0.0065151400000000, -0.0025069000000000 ]  - [  -0.0004768600000000,  0.0000000000000000, -0.0002610100000000 ]  - [  -0.0145066800000000,  0.0000000000000000,  0.0210192100000000 ]  - [  -0.0000674900000000, -0.0009360000000000,  0.0050193900000000 ]  - [  -0.0000674900000000,  0.0009360000000000,  0.0050193900000000 ]  - [   0.0002316500000000,  0.0000000000000000, -0.0009086400000000 ]  - [   0.0002014500000000,  0.0000369300000000, -0.0008324900000000 ]  - [   0.0002014500000000, -0.0000369300000000, -0.0008324900000000 ]  - [   0.0004802200000000,  0.0000000000000000, -0.0006631300000000 ]  - [   0.0002669800000000, -0.0001126200000000, -0.0005121800000000 ]  - [   0.0002669800000000,  0.0001126200000000, -0.0005121800000000 ]  - [  -0.0320980000000000,  0.0000000000000000,  0.0400047900000000 ]  - [  -0.0025902000000000,  0.0038392400000000,  0.0039882700000000 ]  - [  -0.0025902000000000, -0.0038392400000000,  0.0039882700000000 ]  - [   0.0006562100000000,  0.0000000000000000,  0.0009697300000000 ]  - [   0.0004665300000000,  0.0000549300000000,  0.0008481500000000 ]  - [   0.0004665300000000, -0.0000549300000000,  0.0008481500000000 ]  - [  -0.0011613600000000,  0.0000000000000000, -0.0016910200000000 ]  - [  -0.0007863000000000,  0.0001532900000000, -0.0011554100000000 ]  - [  -0.0007863000000000, -0.0001532900000000, -0.0011554100000000 ]  - [  -0.0028762700000000,  0.0000000000000000, -0.0039920700000000 ]  - [  -0.0005795000000000, -0.0007859900000000, -0.0017906700000000 ]  - [  -0.0005795000000000,  0.0007859900000000, -0.0017906700000000 ]  - [   0.0013299000000000,  0.0000000000000000, -0.0009937900000000 ]  - [   0.0007018600000000,  0.0001743300000000, -0.0006417000000000 ]  - [   0.0007018600000000, -0.0001743300000000, -0.0006417000000000 ]  - [   0.0021970800000000, -0.0004758700000000,  0.0006202000000000 ]  - [   0.0021970800000000,  0.0004758700000000,  0.0006202000000000 ]  - [   0.0007460900000000,  0.0000000000000000,  0.0004724600000000 ]  - [  -0.0001489200000000,  0.0002199100000000, -0.0016775100000000 ]  - [  -0.0001489200000000, -0.0002199100000000, -0.0016775100000000 ]  - [  -0.0000085700000000,  0.0000000000000000, -0.0013031100000000 ]  - [  -0.0007686400000000,  0.0000407500000000, -0.0009784600000000 ]  - [  -0.0007686400000000, -0.0000407500000000, -0.0009784600000000 ]  - [  -0.0005831200000000,  0.0000000000000000, -0.0007456700000000 ]  - [   0.0003705600000000, -0.0000118600000000,  0.0009649400000000 ]  - [   0.0003705600000000,  0.0000118600000000,  0.0009649400000000 ]  - [   0.0003762900000000,  0.0000000000000000,  0.0008709600000000 ]- atom:    1  displacement:    [   0.0051027950040762,  0.0000000000000000, -0.0086000862290081 ]  forces:  - [  -0.0638942500000000,  0.0000000000000000,  0.1223084600000000 ]  - [  -0.0007020100000000, -0.0044911600000000,  0.0071786700000000 ]  - [  -0.0007020100000000,  0.0044911600000000,  0.0071786700000000 ]  - [   0.0005618100000000,  0.0000000000000000, -0.0012942900000000 ]  - [   0.0005122100000000,  0.0000320900000000, -0.0011980700000000 ]  - [   0.0005122100000000, -0.0000320900000000, -0.0011980700000000 ]  - [   0.0000131900000000,  0.0000000000000000,  0.0001495700000000 ]  - [  -0.0000475300000000, -0.0000708300000000,  0.0001876100000000 ]  - [  -0.0000475300000000,  0.0000708300000000,  0.0001876100000000 ]  - [  -0.0199601400000000,  0.0000000000000000, -0.0169295100000000 ]  - [  -0.0017901200000000,  0.0027797100000000,  0.0041266600000000 ]  - [  -0.0017901200000000, -0.0027797100000000,  0.0041266600000000 ]  - [   0.0011491900000000, -0.0000429300000000,  0.0001001800000000 ]  - [   0.0011491900000000,  0.0000429300000000,  0.0001001800000000 ]  - [   0.0009225000000000,  0.0000000000000000, -0.0001522900000000 ]  - [  -0.0000975000000000, -0.0001181400000000, -0.0018857300000000 ]  - [  -0.0000975000000000,  0.0001181400000000, -0.0018857300000000 ]  - [   0.0000031800000000,  0.0000000000000000, -0.0015732700000000 ]  - [  -0.0008407100000000,  0.0006843400000000, -0.0010679900000000 ]  - [  -0.0008407100000000, -0.0006843400000000, -0.0010679900000000 ]  - [  -0.0006772000000000,  0.0000000000000000, -0.0005491200000000 ]  - [   0.0005785700000000, -0.0003839500000000,  0.0005475800000000 ]  - [   0.0005785700000000,  0.0003839500000000,  0.0005475800000000 ]  - [   0.0003023300000000,  0.0000000000000000,  0.0007158400000000 ]  - [   0.0049883900000000,  0.0048801500000000,  0.0019699900000000 ]  - [   0.0049883900000000, -0.0048801500000000,  0.0019699900000000 ]  - [   0.0000804400000000,  0.0000000000000000,  0.0008200300000000 ]  - [   0.0000674000000000, -0.0000090400000000, -0.0000392600000000 ]  - [   0.0000674000000000,  0.0000090400000000, -0.0000392600000000 ]  - [   0.0000311800000000,  0.0000000000000000,  0.0000210500000000 ]  - [   0.0002735600000000,  0.0000324800000000, -0.0005168600000000 ]  - [   0.0002735600000000, -0.0000324800000000, -0.0005168600000000 ]  - [   0.0001710000000000,  0.0000000000000000, -0.0004104100000000 ]  - [  -0.0003990100000000, -0.0062154700000000, -0.0028064100000000 ]  - [  -0.0003990100000000,  0.0062154700000000, -0.0028064100000000 ]  - [  -0.0000369200000000,  0.0000000000000000,  0.0000272600000000 ]  - [   0.0004082900000000,  0.0000000000000000,  0.0000021600000000 ]  - [   0.0003187400000000, -0.0000506700000000,  0.0000103700000000 ]  - [   0.0003187400000000,  0.0000506700000000,  0.0000103700000000 ]  - [  -0.0005564200000000,  0.0000000000000000, -0.0015305400000000 ]  - [  -0.0002873400000000,  0.0005809800000000, -0.0009150800000000 ]  - [  -0.0002873400000000, -0.0005809800000000, -0.0009150800000000 ]  - [  -0.0015436800000000,  0.0000000000000000, -0.0100258100000000 ]  - [  -0.0000452600000000, -0.0015808600000000, -0.0011327400000000 ]  - [  -0.0000452600000000,  0.0015808600000000, -0.0011327400000000 ]  - [   0.0001589400000000,  0.0000000000000000, -0.0003653700000000 ]  - [   0.0000781000000000,  0.0000502000000000, -0.0002318500000000 ]  - [   0.0000781000000000, -0.0000502000000000, -0.0002318500000000 ]  - [   0.0004855300000000,  0.0000000000000000,  0.0003513300000000 ]  - [   0.0005381400000000, -0.0000232200000000,  0.0003474500000000 ]  - [   0.0005381400000000,  0.0000232200000000,  0.0003474500000000 ]  - [  -0.0000852800000000,  0.0000000000000000, -0.0004598400000000 ]  - [  -0.0000576000000000, -0.0000217700000000, -0.0003251200000000 ]  - [  -0.0000576000000000,  0.0000217700000000, -0.0003251200000000 ]  - [  -0.0000831300000000,  0.0000000000000000, -0.0011158200000000 ]  - [   0.0000079200000000, -0.0000471700000000, -0.0003918600000000 ]  - [   0.0000079200000000,  0.0000471700000000, -0.0003918600000000 ]  - [   0.0021562400000000,  0.0000000000000000,  0.0001389000000000 ]  - [   0.0005144800000000,  0.0002891700000000,  0.0000210200000000 ]  - [   0.0005144800000000, -0.0002891700000000,  0.0000210200000000 ]  - [   0.0004368700000000,  0.0000000000000000,  0.0006298500000000 ]  - [   0.0003326800000000,  0.0001976200000000,  0.0005662300000000 ]  - [   0.0003326800000000, -0.0001976200000000,  0.0005662300000000 ]  - [  -0.0002061100000000,  0.0000000000000000, -0.0002692500000000 ]  - [  -0.0001129100000000, -0.0000186200000000, -0.0001170900000000 ]  - [  -0.0001129100000000,  0.0000186200000000, -0.0001170900000000 ]  - [  -0.0004916100000000,  0.0000000000000000, -0.0006860000000000 ]  - [  -0.0002503100000000, -0.0000738600000000, -0.0005191000000000 ]  - [  -0.0002503100000000,  0.0000738600000000, -0.0005191000000000 ]  - [   0.0001387800000000,  0.0000000000000000, -0.0000766800000000 ]  - [   0.0001128500000000,  0.0000468200000000, -0.0001126800000000 ]  - [   0.0001128500000000, -0.0000468200000000, -0.0001126800000000 ]  - [  -0.0017741600000000,  0.0003891900000000, -0.0012652300000000 ]  - [  -0.0017741600000000, -0.0003891900000000, -0.0012652300000000 ]  - [  -0.0003431000000000,  0.0000000000000000, -0.0000132200000000 ]  - [   0.0001005200000000, -0.0000485300000000, -0.0003123700000000 ]  - [   0.0001005200000000,  0.0000485300000000, -0.0003123700000000 ]  - [   0.0001005300000000,  0.0000000000000000, -0.0002820200000000 ]  - [   0.0001061700000000,  0.0000063000000000,  0.0003292800000000 ]  - [   0.0001061700000000, -0.0000063000000000,  0.0003292800000000 ]  - [   0.0000996900000000,  0.0000000000000000,  0.0003077800000000 ]  - [  -0.0006451000000000, -0.0001205200000000, -0.0007547300000000 ]  - [  -0.0006451000000000,  0.0001205200000000, -0.0007547300000000 ]  - [  -0.0003352600000000,  0.0000000000000000, -0.0002450300000000 ]  - [   0.0037872800000000, -0.0058741900000000,  0.0024186900000000 ]  - [   0.0037872800000000,  0.0058741900000000,  0.0024186900000000 ]  - [  -0.0005397200000000,  0.0000000000000000,  0.0006426800000000 ]  - [   0.0002302300000000,  0.0000319300000000, -0.0002648600000000 ]  - [   0.0002302300000000, -0.0000319300000000, -0.0002648600000000 ]  - [   0.0001793100000000,  0.0000000000000000, -0.0002164600000000 ]  - [  -0.0001023800000000,  0.0000033900000000, -0.0001428100000000 ]  - [  -0.0001023800000000, -0.0000033900000000, -0.0001428100000000 ]  - [  -0.0000964500000000,  0.0000000000000000, -0.0001166200000000 ]  - [  -0.0006214900000000, -0.0001441200000000,  0.0016079700000000 ]  - [  -0.0006214900000000,  0.0001441200000000,  0.0016079700000000 ]  - [  -0.0001713300000000,  0.0000000000000000,  0.0005992600000000 ]  - [   0.0068689400000000,  0.0042166900000000, -0.0215559900000000 ]  - [   0.0068689400000000, -0.0042166900000000, -0.0215559900000000 ]  - [   0.0007347400000000,  0.0000000000000000, -0.0007892500000000 ]  - [  -0.0005186900000000,  0.0001043600000000,  0.0011789600000000 ]  - [  -0.0005186900000000, -0.0001043600000000,  0.0011789600000000 ]  - [  -0.0004079200000000,  0.0000000000000000,  0.0010536800000000 ]  - [  -0.0002835100000000, -0.0000851400000000, -0.0001583300000000 ]  - [  -0.0002835100000000,  0.0000851400000000, -0.0001583300000000 ]  - [  -0.0001192300000000,  0.0000000000000000, -0.0002016000000000 ]  - [   0.0032335700000000,  0.0065345300000000,  0.0019717400000000 ]  - [   0.0032335700000000, -0.0065345300000000,  0.0019717400000000 ]  - [   0.0009417200000000,  0.0000000000000000, -0.0002805900000000 ]  - [   0.0149514700000000,  0.0000000000000000, -0.0215351800000000 ]  - [   0.0003671500000000,  0.0009486800000000, -0.0054434400000000 ]  - [   0.0003671500000000, -0.0009486800000000, -0.0054434400000000 ]  - [   0.0000817800000000,  0.0000000000000000,  0.0005056500000000 ]  - [   0.0001117300000000, -0.0000376900000000,  0.0004285100000000 ]  - [   0.0001117300000000,  0.0000376900000000,  0.0004285100000000 ]  - [  -0.0007944200000000,  0.0000000000000000,  0.0010729000000000 ]  - [  -0.0005826100000000,  0.0001125100000000,  0.0009218200000000 ]  - [  -0.0005826100000000, -0.0001125100000000,  0.0009218200000000 ]  - [   0.0339933800000000,  0.0000000000000000, -0.0425307000000000 ]  - [   0.0023010500000000, -0.0038684800000000, -0.0036309700000000 ]  - [   0.0023010500000000,  0.0038684800000000, -0.0036309700000000 ]  - [  -0.0011232100000000,  0.0000000000000000, -0.0004349700000000 ]  - [  -0.0009283400000000, -0.0000548900000000, -0.0003157400000000 ]  - [  -0.0009283400000000,  0.0000548900000000, -0.0003157400000000 ]  - [   0.0007083600000000,  0.0000000000000000,  0.0022295700000000 ]  - [   0.0003314200000000, -0.0001541700000000,  0.0016921500000000 ]  - [   0.0003314200000000,  0.0001541700000000,  0.0016921500000000 ]  - [   0.0033246700000000,  0.0000000000000000,  0.0034628300000000 ]  - [   0.0010437400000000,  0.0007845400000000,  0.0012679700000000 ]  - [   0.0010437400000000, -0.0007845400000000,  0.0012679700000000 ]  - [  -0.0008871000000000,  0.0000000000000000,  0.0004661500000000 ]  - [  -0.0002480900000000, -0.0001767400000000,  0.0001080000000000 ]  - [  -0.0002480900000000,  0.0001767400000000,  0.0001080000000000 ]  - [  -0.0018916600000000,  0.0004841600000000, -0.0010391800000000 ]  - [  -0.0018916600000000, -0.0004841600000000, -0.0010391800000000 ]  - [  -0.0004346300000000,  0.0000000000000000, -0.0008835900000000 ]  - [   0.0004622000000000, -0.0002181300000000,  0.0012726100000000 ]  - [   0.0004622000000000,  0.0002181300000000,  0.0012726100000000 ]  - [   0.0003223800000000,  0.0000000000000000,  0.0008999400000000 ]  - [   0.0004567100000000, -0.0000401400000000,  0.0013889700000000 ]  - [   0.0004567100000000,  0.0000401400000000,  0.0013889700000000 ]  - [   0.0002717300000000,  0.0000000000000000,  0.0011564600000000 ]  - [  -0.0006955700000000,  0.0000087300000000, -0.0005630500000000 ]  - [  -0.0006955700000000, -0.0000087300000000, -0.0005630500000000 ]  - [  -0.0006950600000000,  0.0000000000000000, -0.0004657500000000 ]- atom:   25  displacement:    [   0.0099998977798981,  0.0000000000000000,  0.0000452149487271 ]  forces:  - [   0.0041907900000000,  0.0074762100000000, -0.0040864700000000 ]  - [  -0.0002534000000000,  0.0000000000000000, -0.0009694500000000 ]  - [   0.0041907900000000, -0.0074762100000000, -0.0040864700000000 ]  - [   0.0003186800000000, -0.0000042800000000, -0.0006115700000000 ]  - [   0.0003097600000000,  0.0000000000000000, -0.0005755400000000 ]  - [   0.0003186800000000,  0.0000042800000000, -0.0006115700000000 ]  - [  -0.0002744100000000, -0.0000819000000000,  0.0002471100000000 ]  - [  -0.0003230800000000,  0.0000000000000000,  0.0003365200000000 ]  - [  -0.0002744100000000,  0.0000819000000000,  0.0002471100000000 ]  - [  -0.0015635900000000, -0.0003329100000000,  0.0002820500000000 ]  - [  -0.0006633800000000,  0.0000000000000000,  0.0003708000000000 ]  - [  -0.0015635900000000,  0.0003329100000000,  0.0002820500000000 ]  - [   0.0011795500000000,  0.0000000000000000, -0.0005336300000000 ]  - [   0.0009559000000000, -0.0004258800000000, -0.0005451500000000 ]  - [   0.0009559000000000,  0.0004258800000000, -0.0005451500000000 ]  - [   0.0003205200000000,  0.0000000000000000, -0.0002906200000000 ]  - [   0.0003153300000000, -0.0000268900000000, -0.0004036000000000 ]  - [   0.0003153300000000,  0.0000268900000000, -0.0004036000000000 ]  - [  -0.0003145200000000,  0.0000000000000000,  0.0011150800000000 ]  - [  -0.0002630700000000,  0.0001382400000000,  0.0008612300000000 ]  - [  -0.0002630700000000, -0.0001382400000000,  0.0008612300000000 ]  - [   0.0003325000000000,  0.0000000000000000,  0.0007612800000000 ]  - [   0.0001544200000000, -0.0000022900000000,  0.0006852800000000 ]  - [   0.0001544200000000,  0.0000022900000000,  0.0006852800000000 ]  - [  -0.0515500500000000,  0.0000000000000000,  0.0070000500000000 ]  - [  -0.0005948500000000, -0.0003871500000000,  0.0004798700000000 ]  - [  -0.0005948500000000,  0.0003871500000000,  0.0004798700000000 ]  - [   0.0000338300000000,  0.0000000000000000,  0.0002156800000000 ]  - [   0.0000305800000000, -0.0000045800000000,  0.0002193800000000 ]  - [   0.0000305800000000,  0.0000045800000000,  0.0002193800000000 ]  - [  -0.0000011600000000,  0.0000000000000000, -0.0003801600000000 ]  - [  -0.0000570800000000, -0.0000214000000000, -0.0002837200000000 ]  - [  -0.0000570800000000,  0.0000214000000000, -0.0002837200000000 ]  - [  -0.0000242500000000,  0.0000000000000000, -0.0007172500000000 ]  - [  -0.0000197900000000,  0.0000901900000000, -0.0003968500000000 ]  - [  -0.0000197900000000, -0.0000901900000000, -0.0003968500000000 ]  - [   0.0003194300000000, -0.0001613800000000, -0.0003870400000000 ]  - [   0.0000372800000000,  0.0000000000000000, -0.0001530400000000 ]  - [   0.0003194300000000,  0.0001613800000000, -0.0003870400000000 ]  - [   0.0000104700000000, -0.0000190000000000, -0.0000970600000000 ]  - [   0.0000172900000000,  0.0000000000000000, -0.0001312500000000 ]  - [   0.0000104700000000,  0.0000190000000000, -0.0000970600000000 ]  - [   0.0003709500000000,  0.0011423100000000,  0.0013148100000000 ]  - [  -0.0001540900000000,  0.0000000000000000,  0.0003304400000000 ]  - [   0.0003709500000000, -0.0011423100000000,  0.0013148100000000 ]  - [   0.0000198000000000, -0.0000023700000000,  0.0000931100000000 ]  - [   0.0000091700000000,  0.0000000000000000,  0.0000915800000000 ]  - [   0.0000198000000000,  0.0000023700000000,  0.0000931100000000 ]  - [   0.0027951500000000, -0.0014518600000000,  0.0014242700000000 ]  - [  -0.0000536100000000,  0.0000000000000000,  0.0000065500000000 ]  - [   0.0027951500000000,  0.0014518600000000,  0.0014242700000000 ]  - [   0.0001186500000000,  0.0000046500000000,  0.0000326800000000 ]  - [   0.0001161300000000,  0.0000000000000000,  0.0000125400000000 ]  - [   0.0001186500000000, -0.0000046500000000,  0.0000326800000000 ]  - [  -0.0001662000000000,  0.0000020700000000,  0.0001090800000000 ]  - [  -0.0001418800000000,  0.0000000000000000,  0.0000652800000000 ]  - [  -0.0001662000000000, -0.0000020700000000,  0.0001090800000000 ]  - [   0.0002940300000000,  0.0000451300000000, -0.0000634000000000 ]  - [   0.0001959300000000,  0.0000000000000000, -0.0000398000000000 ]  - [   0.0002940300000000, -0.0000451300000000, -0.0000634000000000 ]  - [   0.0002753100000000, -0.0000019200000000,  0.0002364000000000 ]  - [   0.0002123200000000,  0.0000000000000000,  0.0002314000000000 ]  - [   0.0002753100000000,  0.0000019200000000,  0.0002364000000000 ]  - [  -0.0000295200000000,  0.0000029700000000,  0.0003035000000000 ]  - [  -0.0000321100000000,  0.0000000000000000,  0.0002794500000000 ]  - [  -0.0000295200000000, -0.0000029700000000,  0.0003035000000000 ]  - [   0.0000989100000000,  0.0000408800000000, -0.0001131900000000 ]  - [   0.0000759800000000,  0.0000000000000000, -0.0001971500000000 ]  - [   0.0000989100000000, -0.0000408800000000, -0.0001131900000000 ]  - [   0.0000855600000000, -0.0000507200000000,  0.0000116000000000 ]  - [  -0.0000444000000000,  0.0000000000000000, -0.0000833900000000 ]  - [   0.0000855600000000,  0.0000507200000000,  0.0000116000000000 ]  - [   0.0011131300000000,  0.0000000000000000,  0.0020062500000000 ]  - [   0.0001426000000000,  0.0000831100000000,  0.0000860000000000 ]  - [   0.0001426000000000, -0.0000831100000000,  0.0000860000000000 ]  - [   0.0000909100000000,  0.0000000000000000, -0.0000023500000000 ]  - [   0.0000777700000000, -0.0000122600000000, -0.0000084500000000 ]  - [   0.0000777700000000,  0.0000122600000000, -0.0000084500000000 ]  - [   0.0000806600000000,  0.0000000000000000, -0.0000090400000000 ]  - [   0.0000493900000000, -0.0000684600000000, -0.0000002100000000 ]  - [   0.0000493900000000,  0.0000684600000000, -0.0000002100000000 ]  - [  -0.0001686400000000,  0.0000000000000000,  0.0003918200000000 ]  - [  -0.0000947600000000, -0.0000192500000000,  0.0000901800000000 ]  - [  -0.0000947600000000,  0.0000192500000000,  0.0000901800000000 ]  - [   0.0014255500000000,  0.0000000000000000, -0.0013519600000000 ]  - [   0.0005047800000000,  0.0002574900000000, -0.0001443100000000 ]  - [   0.0005047800000000, -0.0002574900000000, -0.0001443100000000 ]  - [  -0.0000339500000000,  0.0000000000000000, -0.0000275900000000 ]  - [  -0.0000241700000000, -0.0000062200000000, -0.0000039600000000 ]  - [  -0.0000241700000000,  0.0000062200000000, -0.0000039600000000 ]  - [   0.0000597300000000,  0.0000000000000000, -0.0000418300000000 ]  - [   0.0000477800000000, -0.0000042600000000, -0.0000320100000000 ]  - [   0.0000477800000000,  0.0000042600000000, -0.0000320100000000 ]  - [  -0.0012312200000000,  0.0000000000000000,  0.0034286500000000 ]  - [  -0.0004961900000000,  0.0000514700000000, -0.0000691900000000 ]  - [  -0.0004961900000000, -0.0000514700000000, -0.0000691900000000 ]  - [   0.0235615400000000,  0.0000000000000000, -0.0001532800000000 ]  - [   0.0003290600000000, -0.0013985600000000, -0.0005477800000000 ]  - [   0.0003290600000000,  0.0013985600000000, -0.0005477800000000 ]  - [  -0.0002902000000000,  0.0000000000000000,  0.0002377500000000 ]  - [  -0.0002722200000000,  0.0000121000000000,  0.0002363800000000 ]  - [  -0.0002722200000000, -0.0000121000000000,  0.0002363800000000 ]  - [  -0.0000021900000000,  0.0000000000000000,  0.0003006300000000 ]  - [   0.0001829200000000,  0.0002426900000000,  0.0001101500000000 ]  - [   0.0001829200000000, -0.0002426900000000,  0.0001101500000000 ]  - [   0.0013937300000000,  0.0000000000000000, -0.0003248700000000 ]  - [   0.0004277000000000,  0.0000902900000000, -0.0001621300000000 ]  - [   0.0004277000000000, -0.0000902900000000, -0.0001621300000000 ]  - [   0.0080922300000000,  0.0050687400000000, -0.0046603200000000 ]  - [   0.0011100400000000,  0.0000000000000000, -0.0003957200000000 ]  - [   0.0080922300000000, -0.0050687400000000, -0.0046603200000000 ]  - [   0.0000021700000000, -0.0000000200000000, -0.0000873900000000 ]  - [   0.0000240000000000,  0.0000000000000000, -0.0001108300000000 ]  - [   0.0000021700000000,  0.0000000200000000, -0.0000873900000000 ]  - [  -0.0000004200000000,  0.0000821500000000,  0.0003833500000000 ]  - [  -0.0000066400000000,  0.0000000000000000,  0.0002897800000000 ]  - [  -0.0000004200000000, -0.0000821500000000,  0.0003833500000000 ]  - [  -0.0006236000000000,  0.0000501100000000,  0.0023718700000000 ]  - [  -0.0002187900000000,  0.0000000000000000,  0.0007433800000000 ]  - [  -0.0006236000000000, -0.0000501100000000,  0.0023718700000000 ]  - [  -0.0012614700000000,  0.0001257800000000,  0.0006794500000000 ]  - [  -0.0003667400000000,  0.0000000000000000,  0.0004328000000000 ]  - [  -0.0012614700000000, -0.0001257800000000,  0.0006794500000000 ]  - [  -0.0001734200000000,  0.0000953900000000,  0.0001311000000000 ]  - [  -0.0001941000000000,  0.0000000000000000,  0.0002249100000000 ]  - [  -0.0001734200000000, -0.0000953900000000,  0.0001311000000000 ]  - [   0.0002129700000000, -0.0004271200000000, -0.0010648000000000 ]  - [   0.0001772600000000,  0.0000000000000000, -0.0006015700000000 ]  - [   0.0002129700000000,  0.0004271200000000, -0.0010648000000000 ]  - [  -0.0001293900000000,  0.0000583200000000, -0.0003811800000000 ]  - [   0.0000371100000000,  0.0000000000000000, -0.0003632900000000 ]  - [  -0.0001293900000000, -0.0000583200000000, -0.0003811800000000 ]  - [  -0.0008999100000000,  0.0000000000000000, -0.0002369600000000 ]  - [  -0.0005623100000000, -0.0000456700000000, -0.0002548000000000 ]  - [  -0.0005623100000000,  0.0000456700000000, -0.0002548000000000 ]  - [   0.0002969200000000,  0.0000000000000000, -0.0004757300000000 ]  - [   0.0002791900000000, -0.0000012000000000, -0.0004075500000000 ]  - [   0.0002791900000000,  0.0000012000000000, -0.0004075500000000 ]  - [  -0.0003787000000000,  0.0000000000000000, -0.0000589000000000 ]  - [  -0.0003206400000000, -0.0000316600000000,  0.0000292400000000 ]  - [  -0.0003206400000000,  0.0000316600000000,  0.0000292400000000 ]  - [  -0.0013309600000000,  0.0000000000000000, -0.0008327700000000 ]  - [  -0.0005418700000000,  0.0006113200000000, -0.0005132600000000 ]  - [  -0.0005418700000000, -0.0006113200000000, -0.0005132600000000 ]- atom:   25  displacement:    [  -0.0099998977798981,  0.0000000000000000, -0.0000452149487271 ]  forces:  - [  -0.0035648100000000, -0.0074056800000000,  0.0029678400000000 ]  - [   0.0008617700000000,  0.0000000000000000, -0.0001101400000000 ]  - [  -0.0035648100000000,  0.0074056800000000,  0.0029678400000000 ]  - [   0.0002917200000000,  0.0000044000000000, -0.0004653800000000 ]  - [   0.0003008400000000,  0.0000000000000000, -0.0005017500000000 ]  - [   0.0002917200000000, -0.0000044000000000, -0.0004653800000000 ]  - [  -0.0003363200000000,  0.0000827700000000,  0.0008340300000000 ]  - [  -0.0002871200000000,  0.0000000000000000,  0.0007439400000000 ]  - [  -0.0003363200000000, -0.0000827700000000,  0.0008340300000000 ]  - [   0.0009297400000000,  0.0003340800000000,  0.0008175000000000 ]  - [   0.0000509100000000,  0.0000000000000000,  0.0007055300000000 ]  - [   0.0009297400000000, -0.0003340800000000,  0.0008175000000000 ]  - [  -0.0005724100000000,  0.0000000000000000, -0.0005457700000000 ]  - [  -0.0003490100000000,  0.0004302600000000, -0.0005339900000000 ]  - [  -0.0003490100000000, -0.0004302600000000, -0.0005339900000000 ]  - [   0.0002902800000000,  0.0000000000000000, -0.0007837400000000 ]  - [   0.0002954100000000,  0.0000265900000000, -0.0006718900000000 ]  - [   0.0002954100000000, -0.0000265900000000, -0.0006718900000000 ]  - [  -0.0002970200000000,  0.0000000000000000, -0.0000323300000000 ]  - [  -0.0003475600000000, -0.0001367000000000,  0.0002182800000000 ]  - [  -0.0003475600000000,  0.0001367000000000,  0.0002182800000000 ]  - [  -0.0009443600000000,  0.0000000000000000,  0.0003143700000000 ]  - [  -0.0007668500000000,  0.0000019600000000,  0.0003904900000000 ]  - [  -0.0007668500000000, -0.0000019600000000,  0.0003904900000000 ]  - [   0.0502051300000000,  0.0000000000000000, -0.0067304600000000 ]  - [   0.0005884400000000,  0.0003802400000000, -0.0000058600000000 ]  - [   0.0005884400000000, -0.0003802400000000, -0.0000058600000000 ]  - [  -0.0000413500000000,  0.0000000000000000,  0.0002613700000000 ]  - [  -0.0000381100000000,  0.0000046500000000,  0.0002576200000000 ]  - [  -0.0000381100000000, -0.0000046500000000,  0.0002576200000000 ]  - [   0.0000083100000000,  0.0000000000000000, -0.0000948800000000 ]  - [   0.0000647700000000,  0.0000216400000000, -0.0001923900000000 ]  - [   0.0000647700000000, -0.0000216400000000, -0.0001923900000000 ]  - [   0.0000283400000000,  0.0000000000000000,  0.0002366900000000 ]  - [   0.0000250300000000, -0.0000917200000000, -0.0000797100000000 ]  - [   0.0000250300000000,  0.0000917200000000, -0.0000797100000000 ]  - [  -0.0002344400000000,  0.0001644000000000,  0.0002312700000000 ]  - [   0.0000526100000000,  0.0000000000000000, -0.0000062800000000 ]  - [  -0.0002344400000000, -0.0001644000000000,  0.0002312700000000 ]  - [   0.0000791300000000,  0.0000183800000000, -0.0000589600000000 ]  - [   0.0000719800000000,  0.0000000000000000, -0.0000257100000000 ]  - [   0.0000791300000000, -0.0000183800000000, -0.0000589600000000 ]  - [  -0.0004621700000000, -0.0011330000000000, -0.0011484600000000 ]  - [   0.0000641600000000,  0.0000000000000000, -0.0001728400000000 ]  - [  -0.0004621700000000,  0.0011330000000000, -0.0011484600000000 ]  - [  -0.0001093900000000,  0.0000023300000000,  0.0000664700000000 ]  - [  -0.0000985800000000,  0.0000000000000000,  0.0000678100000000 ]  - [  -0.0001093900000000, -0.0000023300000000,  0.0000664700000000 ]  - [  -0.0027421700000000,  0.0014882800000000, -0.0014612100000000 ]  - [   0.0001591000000000,  0.0000000000000000, -0.0000129000000000 ]  - [  -0.0027421700000000, -0.0014882800000000, -0.0014612100000000 ]  - [  -0.0000169800000000, -0.0000044700000000, -0.0000375200000000 ]  - [  -0.0000145600000000,  0.0000000000000000, -0.0000177100000000 ]  - [  -0.0000169800000000,  0.0000044700000000, -0.0000375200000000 ]  - [   0.0000645500000000, -0.0000019300000000, -0.0001032100000000 ]  - [   0.0000397100000000,  0.0000000000000000, -0.0000592700000000 ]  - [   0.0000645500000000,  0.0000019300000000, -0.0001032100000000 ]  - [  -0.0003976100000000, -0.0000443900000000,  0.0000684300000000 ]  - [  -0.0002997400000000,  0.0000000000000000,  0.0000451100000000 ]  - [  -0.0003976100000000,  0.0000443900000000,  0.0000684300000000 ]  - [  -0.0002832400000000,  0.0000021900000000,  0.0002395500000000 ]  - [  -0.0002207800000000,  0.0000000000000000,  0.0002449200000000 ]  - [  -0.0002832400000000, -0.0000021900000000,  0.0002395500000000 ]  - [   0.0000227500000000, -0.0000028700000000,  0.0001736200000000 ]  - [   0.0000251800000000,  0.0000000000000000,  0.0001975000000000 ]  - [   0.0000227500000000,  0.0000028700000000,  0.0001736200000000 ]  - [  -0.0000919700000000, -0.0000402900000000, -0.0003618000000000 ]  - [  -0.0000691000000000,  0.0000000000000000, -0.0002791800000000 ]  - [  -0.0000919700000000,  0.0000402900000000, -0.0003618000000000 ]  - [  -0.0000764400000000,  0.0000503800000000, -0.0004902900000000 ]  - [   0.0000535500000000,  0.0000000000000000, -0.0003947800000000 ]  - [  -0.0000764400000000, -0.0000503800000000, -0.0004902900000000 ]  - [  -0.0010078400000000,  0.0000000000000000, -0.0021314100000000 ]  - [  -0.0000549700000000, -0.0000824600000000, -0.0002463900000000 ]  - [  -0.0000549700000000,  0.0000824600000000, -0.0002463900000000 ]  - [  -0.0000018600000000,  0.0000000000000000, -0.0001572800000000 ]  - [   0.0000112900000000,  0.0000123400000000, -0.0001511100000000 ]  - [   0.0000112900000000, -0.0000123400000000, -0.0001511100000000 ]  - [  -0.0001704700000000,  0.0000000000000000,  0.0001689100000000 ]  - [  -0.0001391000000000,  0.0000692000000000,  0.0001602000000000 ]  - [  -0.0001391000000000, -0.0000692000000000,  0.0001602000000000 ]  - [   0.0000803200000000,  0.0000000000000000, -0.0002279300000000 ]  - [   0.0000066300000000,  0.0000190200000000,  0.0000712300000000 ]  - [   0.0000066300000000, -0.0000190200000000,  0.0000712300000000 ]  - [  -0.0013129000000000,  0.0000000000000000,  0.0013280300000000 ]  - [  -0.0004045200000000, -0.0002581100000000,  0.0001376400000000 ]  - [  -0.0004045200000000,  0.0002581100000000,  0.0001376400000000 ]  - [   0.0001368800000000,  0.0000000000000000,  0.0000220800000000 ]  - [   0.0001269400000000,  0.0000063400000000, -0.0000017800000000 ]  - [   0.0001269400000000, -0.0000063400000000, -0.0000017800000000 ]  - [  -0.0001625000000000,  0.0000000000000000,  0.0000485500000000 ]  - [  -0.0001504700000000,  0.0000042900000000,  0.0000385300000000 ]  - [  -0.0001504700000000, -0.0000042900000000,  0.0000385300000000 ]  - [   0.0011523300000000,  0.0000000000000000, -0.0034019000000000 ]  - [   0.0004004500000000, -0.0000574800000000,  0.0000781200000000 ]  - [   0.0004004500000000,  0.0000574800000000,  0.0000781200000000 ]  - [  -0.0226048600000000,  0.0000000000000000,  0.0008712800000000 ]  - [  -0.0007816900000000,  0.0014044900000000,  0.0010824200000000 ]  - [  -0.0007816900000000, -0.0014044900000000,  0.0010824200000000 ]  - [  -0.0001688700000000,  0.0000000000000000,  0.0002938700000000 ]  - [  -0.0001867900000000, -0.0000122800000000,  0.0002954900000000 ]  - [  -0.0001867900000000,  0.0000122800000000,  0.0002954900000000 ]  - [   0.0004629400000000,  0.0000000000000000, -0.0008381400000000 ]  - [   0.0002761600000000, -0.0002452200000000, -0.0006451400000000 ]  - [   0.0002761600000000,  0.0002452200000000, -0.0006451400000000 ]  - [  -0.0009303200000000,  0.0000000000000000, -0.0002190900000000 ]  - [   0.0000306700000000, -0.0000829600000000, -0.0003750200000000 ]  - [   0.0000306700000000,  0.0000829600000000, -0.0003750200000000 ]  - [  -0.0078106400000000, -0.0050891500000000,  0.0042787300000000 ]  - [  -0.0007954900000000,  0.0000000000000000, -0.0000095500000000 ]  - [  -0.0078106400000000,  0.0050891500000000,  0.0042787300000000 ]  - [   0.0003122200000000, -0.0000001100000000, -0.0003221800000000 ]  - [   0.0002900700000000,  0.0000000000000000, -0.0002985800000000 ]  - [   0.0003122200000000,  0.0000001100000000, -0.0003221800000000 ]  - [  -0.0003139400000000, -0.0000829800000000,  0.0000212400000000 ]  - [  -0.0003079700000000,  0.0000000000000000,  0.0001159500000000 ]  - [  -0.0003139400000000,  0.0000829800000000,  0.0000212400000000 ]  - [   0.0003265200000000, -0.0000485600000000, -0.0019555200000000 ]  - [  -0.0000901200000000,  0.0000000000000000, -0.0003330700000000 ]  - [   0.0003265200000000,  0.0000485600000000, -0.0019555200000000 ]  - [   0.0008078900000000, -0.0001262100000000, -0.0001492000000000 ]  - [  -0.0000932300000000,  0.0000000000000000,  0.0000994700000000 ]  - [   0.0008078900000000,  0.0001262100000000, -0.0001492000000000 ]  - [  -0.0002861800000000, -0.0000946700000000,  0.0003964000000000 ]  - [  -0.0002653500000000,  0.0000000000000000,  0.0003038600000000 ]  - [  -0.0002861800000000,  0.0000946700000000,  0.0003964000000000 ]  - [   0.0002511400000000,  0.0004201100000000,  0.0005292700000000 ]  - [   0.0002839000000000,  0.0000000000000000,  0.0000706700000000 ]  - [   0.0002511400000000, -0.0004201100000000,  0.0005292700000000 ]  - [   0.0005882600000000, -0.0000584200000000, -0.0001496100000000 ]  - [   0.0004218100000000,  0.0000000000000000, -0.0001677800000000 ]  - [   0.0005882600000000,  0.0000584200000000, -0.0001496100000000 ]  - [   0.0012134900000000,  0.0000000000000000, -0.0001669400000000 ]  - [   0.0008791100000000,  0.0000452700000000, -0.0001503400000000 ]  - [   0.0008791100000000, -0.0000452700000000, -0.0001503400000000 ]  - [   0.0000158500000000,  0.0000000000000000,  0.0000660200000000 ]  - [   0.0000334900000000,  0.0000009800000000, -0.0000013300000000 ]  - [   0.0000334900000000, -0.0000009800000000, -0.0000013300000000 ]  - [   0.0000657800000000,  0.0000000000000000,  0.0004624600000000 ]  - [   0.0000083700000000,  0.0000313200000000,  0.0003754300000000 ]  - [   0.0000083700000000, -0.0000313200000000,  0.0003754300000000 ]  - [   0.0010161800000000,  0.0000000000000000,  0.0012501300000000 ]  - [   0.0002273700000000, -0.0006156200000000,  0.0009289300000000 ]  - [   0.0002273700000000,  0.0006156200000000,  0.0009289300000000 ]- atom:   25  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0083420000000000,  0.0030404000000000, -0.0014781400000000 ]  - [   0.0003076100000000,  0.0018265500000000, -0.0005370800000000 ]  - [  -0.0076728900000000,  0.0030557400000000,  0.0004032100000000 ]  - [   0.0003056700000000, -0.0000128700000000, -0.0005289000000000 ]  - [   0.0003055800000000,  0.0000258600000000, -0.0005393900000000 ]  - [   0.0003054300000000, -0.0000128700000000, -0.0005500700000000 ]  - [  -0.0003199900000000, -0.0000387300000000,  0.0005679200000000 ]  - [  -0.0003051400000000,  0.0000770700000000,  0.0005391000000000 ]  - [  -0.0002902000000000, -0.0000381900000000,  0.0005098100000000 ]  - [   0.0028739800000000, -0.0018745100000000, -0.0047851400000000 ]  - [  -0.0003035700000000,  0.0011410900000000,  0.0005386400000000 ]  - [  -0.0034504000000000, -0.0018635600000000,  0.0058269800000000 ]  - [   0.0003049500000000, -0.0004992400000000, -0.0005387200000000 ]  - [   0.0001040900000000,  0.0003047700000000, -0.0004280600000000 ]  - [   0.0005055900000000,  0.0003049900000000, -0.0006488600000000 ]  - [   0.0003049100000000, -0.0000945700000000, -0.0005402000000000 ]  - [   0.0003204200000000,  0.0000499300000000, -0.0005528300000000 ]  - [   0.0002898100000000,  0.0000501800000000, -0.0005272700000000 ]  - [  -0.0003056300000000, -0.0003066700000000,  0.0005368800000000 ]  - [  -0.0002884000000000,  0.0001388100000000,  0.0006341600000000 ]  - [  -0.0003230100000000,  0.0001405500000000,  0.0004418500000000 ]  - [  -0.0003053900000000, -0.0001301000000000,  0.0005391700000000 ]  - [  -0.0004227000000000,  0.0000564500000000,  0.0004148700000000 ]  - [  -0.0001884600000000,  0.0000570400000000,  0.0006627100000000 ]  - [  -0.0001923300000000, -0.0504428100000000,  0.0008452800000000 ]  - [   0.0003839400000000,  0.0019124300000000,  0.0000766600000000 ]  - [  -0.0003847500000000,  0.0018734000000000,  0.0003928100000000 ]  - [  -0.0000038400000000, -0.0000103900000000,  0.0002383600000000 ]  - [   0.0000009100000000,  0.0000055000000000,  0.0002325200000000 ]  - [  -0.0000085500000000,  0.0000060500000000,  0.0002441700000000 ]  - [   0.0000042200000000, -0.0000223000000000, -0.0002387200000000 ]  - [  -0.0000175400000000,  0.0000122500000000, -0.0002037100000000 ]  - [   0.0000256700000000,  0.0000124600000000, -0.0002734800000000 ]  - [   0.0000048600000000, -0.0011218700000000, -0.0002376200000000 ]  - [   0.0000953900000000,  0.0003466100000000, -0.0003109400000000 ]  - [  -0.0000871800000000,  0.0003460400000000, -0.0001653300000000 ]  - [  -0.0000536200000000,  0.0000027700000000,  0.0000378700000000 ]  - [   0.0000447400000000,  0.0000558900000000, -0.0000793900000000 ]  - [   0.0001429000000000,  0.0000024700000000, -0.0001962300000000 ]  - [  -0.0000420300000000, -0.0001165300000000, -0.0002555600000000 ]  - [   0.0000445000000000,  0.0002667700000000, -0.0000805200000000 ]  - [   0.0001304300000000, -0.0001164800000000,  0.0000937900000000 ]  - [   0.0013155200000000,  0.0006221400000000,  0.0012713900000000 ]  - [  -0.0000442600000000,  0.0004693900000000,  0.0000796500000000 ]  - [  -0.0013962500000000,  0.0006229300000000, -0.0011028800000000 ]  - [  -0.0000415700000000, -0.0000083300000000,  0.0000602500000000 ]  - [  -0.0000445700000000,  0.0000165500000000,  0.0000793200000000 ]  - [  -0.0000477200000000, -0.0000082400000000,  0.0000988800000000 ]  - [  -0.0019576000000000,  0.0005741000000000, -0.0008186400000000 ]  - [   0.0000507700000000,  0.0001897400000000, -0.0000028200000000 ]  - [   0.0020407200000000,  0.0005694200000000,  0.0008046300000000 ]  - [   0.0000513300000000, -0.0000097600000000, -0.0000252200000000 ]  - [   0.0000510500000000,  0.0000190000000000, -0.0000032500000000 ]  - [   0.0000507300000000, -0.0000097800000000,  0.0000185700000000 ]  - [  -0.0000444600000000, -0.0000163400000000,  0.0000766100000000 ]  - [  -0.0000515200000000,  0.0000259200000000,  0.0000029400000000 ]  - [  -0.0000578400000000, -0.0000159700000000, -0.0000717900000000 ]  - [   0.0000310000000000, -0.0000516100000000, -0.0000038800000000 ]  - [  -0.0000506700000000,  0.0001074300000000,  0.0000029100000000 ]  - [  -0.0001331300000000, -0.0000513800000000,  0.0000103600000000 ]  - [  -0.0000018400000000, -0.0000398400000000,  0.0002251500000000 ]  - [  -0.0000040200000000,  0.0000936400000000,  0.0002387600000000 ]  - [  -0.0000061500000000, -0.0000394600000000,  0.0002524100000000 ]  - [  -0.0000071800000000, -0.0000137300000000,  0.0002359600000000 ]  - [  -0.0000042200000000,  0.0000310700000000,  0.0002381300000000 ]  - [  -0.0000012400000000, -0.0000136600000000,  0.0002402400000000 ]  - [   0.0000438800000000, -0.0000167400000000, -0.0002158300000000 ]  - [   0.0000036200000000,  0.0000370000000000, -0.0002386800000000 ]  - [  -0.0000369300000000, -0.0000162300000000, -0.0002621500000000 ]  - [  -0.0000458700000000, -0.0000713300000000, -0.0003157300000000 ]  - [   0.0000037000000000,  0.0001561800000000, -0.0002386000000000 ]  - [   0.0000543900000000, -0.0000709900000000, -0.0001616000000000 ]  - [   0.0000400100000000, -0.0001602800000000, -0.0000864900000000 ]  - [   0.0002062900000000,  0.0001084200000000,  0.0001248800000000 ]  - [  -0.0001173600000000,  0.0001097300000000, -0.0002834300000000 ]  - [   0.0000445900000000, -0.0000315600000000, -0.0000798100000000 ]  - [   0.0000359200000000,  0.0000158200000000, -0.0000869700000000 ]  - [   0.0000531200000000,  0.0000158500000000, -0.0000725100000000 ]  - [  -0.0000446400000000, -0.0000732500000000,  0.0000798500000000 ]  - [  -0.0000454900000000,  0.0000377900000000,  0.0000888100000000 ]  - [  -0.0000438000000000,  0.0000379500000000,  0.0000711300000000 ]  - [  -0.0000455400000000, -0.0000377100000000,  0.0000799100000000 ]  - [  -0.0000837300000000,  0.0000311600000000, -0.0001022100000000 ]  - [  -0.0000062000000000,  0.0000313300000000,  0.0002596400000000 ]  - [   0.0000478400000000, -0.0006276400000000,  0.0000020100000000 ]  - [   0.0004189900000000,  0.0004466200000000, -0.0001050600000000 ]  - [  -0.0003163900000000,  0.0004465700000000,  0.0001002000000000 ]  - [   0.0000517600000000, -0.0000168300000000, -0.0000033300000000 ]  - [   0.0000437400000000,  0.0000085000000000,  0.0000039300000000 ]  - [   0.0000592100000000,  0.0000085000000000, -0.0000103300000000 ]  - [  -0.0000512400000000, -0.0000119700000000,  0.0000029000000000 ]  - [  -0.0000473100000000,  0.0000060400000000,  0.0000077200000000 ]  - [  -0.0000551800000000,  0.0000062700000000, -0.0000019100000000 ]  - [  -0.0000487600000000, -0.0018697000000000,  0.0000213100000000 ]  - [  -0.0006127800000000,  0.0009343800000000, -0.0006447900000000 ]  - [   0.0005069300000000,  0.0009315100000000,  0.0006487800000000 ]  - [  -0.0002453700000000,  0.0074340200000000,  0.0002645500000000 ]  - [  -0.0008467700000000, -0.0023470300000000, -0.0005981000000000 ]  - [   0.0003879900000000, -0.0023550600000000,  0.0011246200000000 ]  - [  -0.0002299900000000,  0.0000451600000000,  0.0002670300000000 ]  - [  -0.0002269900000000, -0.0000221600000000,  0.0002789200000000 ]  - [  -0.0002326700000000, -0.0000226000000000,  0.0002550100000000 ]  - [   0.0002289400000000,  0.0001778300000000, -0.0002663200000000 ]  - [   0.0002684000000000, -0.0000884900000000, -0.0003358700000000 ]  - [   0.0001901100000000, -0.0000889800000000, -0.0001971500000000 ]  - [   0.0002359000000000,  0.0031216400000000, -0.0002641200000000 ]  - [   0.0002429800000000, -0.0014997900000000,  0.0003476100000000 ]  - [   0.0002174700000000, -0.0014945900000000, -0.0008767100000000 ]  - [   0.0025743700000000,  0.0186122300000000, -0.0090056300000000 ]  - [   0.0001535200000000, -0.0019022900000000, -0.0002012400000000 ]  - [  -0.0021415000000000,  0.0181011500000000,  0.0080245600000000 ]  - [   0.0001511500000000,  0.0000118400000000, -0.0002056300000000 ]  - [   0.0001565800000000, -0.0000233700000000, -0.0002032500000000 ]  - [   0.0001620600000000,  0.0000118100000000, -0.0002010500000000 ]  - [  -0.0001300900000000,  0.0000332400000000,  0.0001681200000000 ]  - [  -0.0001571300000000, -0.0000655900000000,  0.0002039300000000 ]  - [  -0.0001843300000000,  0.0000326900000000,  0.0002395200000000 ]  - [  -0.0019913500000000,  0.0005535200000000,  0.0010251200000000 ]  - [  -0.0001572900000000, -0.0008110000000000,  0.0002015600000000 ]  - [   0.0016725800000000,  0.0005550000000000, -0.0006316400000000 ]  - [   0.0001791900000000,  0.0001547800000000,  0.0000000900000000 ]  - [  -0.0002290400000000, -0.0002813600000000,  0.0002659200000000 ]  - [  -0.0006379500000000,  0.0001543900000000,  0.0005306400000000 ]  - [  -0.0001645400000000,  0.0001057700000000,  0.0003983800000000 ]  - [  -0.0002287500000000, -0.0002158900000000,  0.0002680800000000 ]  - [  -0.0002922800000000,  0.0001045000000000,  0.0001373500000000 ]  - [  -0.0001255700000000,  0.0002467600000000, -0.0007115600000000 ]  - [   0.0002300300000000, -0.0003432500000000, -0.0002662300000000 ]  - [   0.0005872800000000,  0.0002422600000000,  0.0001853500000000 ]  - [   0.0002600200000000,  0.0000784800000000, -0.0002130000000000 ]  - [   0.0002292700000000, -0.0001483400000000, -0.0002659100000000 ]  - [   0.0001984100000000,  0.0000777900000000, -0.0003190600000000 ]  - [   0.0001573700000000,  0.0001240000000000, -0.0002040400000000 ]  - [   0.0000669400000000, -0.0000548900000000, -0.0001642000000000 ]  - [   0.0002458500000000, -0.0000553100000000, -0.0002441700000000 ]  - [   0.0001567900000000,  0.0000788400000000, -0.0002025300000000 ]  - [   0.0001621800000000, -0.0000410200000000, -0.0002446300000000 ]  - [   0.0001514000000000, -0.0000411400000000, -0.0001607700000000 ]  - [  -0.0001559200000000,  0.0000551600000000,  0.0002046700000000 ]  - [  -0.0001879200000000, -0.0000272500000000,  0.0001858600000000 ]  - [  -0.0001243700000000, -0.0000276200000000,  0.0002228200000000 ]  - [  -0.0001573200000000,  0.0008259500000000,  0.0002050400000000 ]  - [   0.0002949300000000, -0.0004102600000000,  0.0004918100000000 ]  - [  -0.0006061200000000, -0.0004105300000000, -0.0000836500000000 ]- atom:   25  displacement:    [  -0.0051027950040762,  0.0000000000000000,  0.0086000862290081 ]  forces:  - [  -0.0038827300000000, -0.0040737300000000, -0.0017855500000000 ]  - [   0.0004957000000000,  0.0000000000000000, -0.0009597400000000 ]  - [  -0.0038827300000000,  0.0040737300000000, -0.0017855500000000 ]  - [   0.0002392500000000,  0.0000073600000000, -0.0002582000000000 ]  - [   0.0002610100000000,  0.0000000000000000, -0.0003272500000000 ]  - [   0.0002392500000000, -0.0000073600000000, -0.0002582000000000 ]  - [  -0.0004382300000000,  0.0001387800000000,  0.0009007800000000 ]  - [  -0.0003520200000000,  0.0000000000000000,  0.0007835800000000 ]  - [  -0.0004382300000000, -0.0001387800000000,  0.0009007800000000 ]  - [  -0.0017482100000000,  0.0003391900000000,  0.0020130200000000 ]  - [  -0.0003466400000000,  0.0000000000000000,  0.0002258600000000 ]  - [  -0.0017482100000000, -0.0003391900000000,  0.0020130200000000 ]  - [  -0.0000806000000000,  0.0000000000000000, -0.0008976000000000 ]  - [   0.0000633000000000,  0.0002369700000000, -0.0008110600000000 ]  - [   0.0000633000000000, -0.0002369700000000, -0.0008110600000000 ]  - [   0.0003903800000000,  0.0000000000000000, -0.0001009000000000 ]  - [   0.0003825600000000, -0.0000376200000000, -0.0002027100000000 ]  - [   0.0003825600000000,  0.0000376200000000, -0.0002027100000000 ]  - [  -0.0001256600000000,  0.0000000000000000,  0.0007979300000000 ]  - [  -0.0002020800000000,  0.0001501900000000,  0.0007297700000000 ]  - [  -0.0002020800000000, -0.0001501900000000,  0.0007297700000000 ]  - [  -0.0004442600000000,  0.0000000000000000,  0.0003758700000000 ]  - [  -0.0004225800000000, -0.0000339000000000,  0.0004091500000000 ]  - [  -0.0004225800000000,  0.0000339000000000,  0.0004091500000000 ]  - [   0.0319146900000000,  0.0000000000000000, -0.0454459900000000 ]  - [   0.0005129700000000,  0.0003297200000000, -0.0007715800000000 ]  - [   0.0005129700000000, -0.0003297200000000, -0.0007715800000000 ]  - [  -0.0000429600000000,  0.0000000000000000,  0.0003224700000000 ]  - [  -0.0000379000000000,  0.0000074800000000,  0.0003142200000000 ]  - [  -0.0000379000000000, -0.0000074800000000,  0.0003142200000000 ]  - [  -0.0001186400000000,  0.0000000000000000,  0.0000312200000000 ]  - [  -0.0000051000000000,  0.0000412400000000, -0.0001395600000000 ]  - [  -0.0000051000000000, -0.0000412400000000, -0.0001395600000000 ]  - [  -0.0003944800000000,  0.0000000000000000, -0.0000918700000000 ]  - [  -0.0001220200000000, -0.0001102600000000, -0.0001897700000000 ]  - [  -0.0001220200000000,  0.0001102600000000, -0.0001897700000000 ]  - [  -0.0004271400000000,  0.0002403500000000,  0.0001049100000000 ]  - [   0.0000019200000000,  0.0000000000000000, -0.0001387300000000 ]  - [  -0.0004271400000000, -0.0002403500000000,  0.0001049100000000 ]  - [   0.0000740300000000, -0.0000841800000000,  0.0002097200000000 ]  - [   0.0000605500000000,  0.0000000000000000,  0.0001495600000000 ]  - [   0.0000740300000000,  0.0000841800000000,  0.0002097200000000 ]  - [   0.0017826500000000,  0.0011063700000000,  0.0008645800000000 ]  - [   0.0000503300000000,  0.0000000000000000, -0.0002668500000000 ]  - [   0.0017826500000000, -0.0011063700000000,  0.0008645800000000 ]  - [  -0.0000631200000000, -0.0000003800000000,  0.0001744200000000 ]  - [  -0.0000589100000000,  0.0000000000000000,  0.0001674900000000 ]  - [  -0.0000631200000000,  0.0000003800000000,  0.0001744200000000 ]  - [  -0.0004844000000000,  0.0003363600000000, -0.0007841300000000 ]  - [   0.0001891000000000,  0.0000000000000000, -0.0001337500000000 ]  - [  -0.0004844000000000, -0.0003363600000000, -0.0007841300000000 ]  - [   0.0000044000000000,  0.0000045800000000,  0.0000945800000000 ]  - [   0.0000064900000000,  0.0000000000000000,  0.0000780400000000 ]  - [   0.0000044000000000, -0.0000045800000000,  0.0000945800000000 ]  - [   0.0000412700000000,  0.0000119100000000,  0.0001440700000000 ]  - [   0.0000042700000000,  0.0000000000000000,  0.0000361600000000 ]  - [   0.0000412700000000, -0.0000119100000000,  0.0001440700000000 ]  - [  -0.0002544600000000, -0.0000015100000000, -0.0000226100000000 ]  - [  -0.0002167000000000,  0.0000000000000000, -0.0000054800000000 ]  - [  -0.0002544600000000,  0.0000015100000000, -0.0000226100000000 ]  - [  -0.0001478400000000,  0.0000127000000000,  0.0001580800000000 ]  - [  -0.0001201400000000,  0.0000000000000000,  0.0001681600000000 ]  - [  -0.0001478400000000, -0.0000127000000000,  0.0001580800000000 ]  - [   0.0000654300000000,  0.0000003800000000,  0.0003668500000000 ]  - [   0.0000462100000000,  0.0000000000000000,  0.0003282000000000 ]  - [   0.0000654300000000, -0.0000003800000000,  0.0003668500000000 ]  - [   0.0000613300000000, -0.0000007900000000, -0.0002103000000000 ]  - [   0.0000012900000000,  0.0000000000000000, -0.0002090600000000 ]  - [   0.0000613300000000,  0.0000007900000000, -0.0002103000000000 ]  - [   0.0001785600000000, -0.0000405500000000, -0.0004278200000000 ]  - [   0.0001623200000000,  0.0000000000000000, -0.0003286100000000 ]  - [   0.0001785600000000,  0.0000405500000000, -0.0004278200000000 ]  - [  -0.0001285000000000,  0.0000000000000000, -0.0008265700000000 ]  - [   0.0001448900000000,  0.0001344400000000, -0.0002845100000000 ]  - [   0.0001448900000000, -0.0001344400000000, -0.0002845100000000 ]  - [   0.0000672800000000,  0.0000000000000000, -0.0000152400000000 ]  - [   0.0000682100000000, -0.0000000500000000, -0.0000196700000000 ]  - [   0.0000682100000000,  0.0000000500000000, -0.0000196700000000 ]  - [  -0.0002038800000000,  0.0000000000000000,  0.0000089400000000 ]  - [  -0.0001692300000000,  0.0000877000000000,  0.0000202400000000 ]  - [  -0.0001692300000000, -0.0000877000000000,  0.0000202400000000 ]  - [   0.0000053000000000,  0.0000000000000000,  0.0006370400000000 ]  - [   0.0000350500000000, -0.0000240100000000,  0.0003174000000000 ]  - [   0.0000350500000000,  0.0000240100000000,  0.0003174000000000 ]  - [  -0.0001560800000000,  0.0000000000000000, -0.0000658100000000 ]  - [  -0.0002425500000000, -0.0001776600000000, -0.0000658700000000 ]  - [  -0.0002425500000000,  0.0001776600000000, -0.0000658700000000 ]  - [   0.0000891500000000,  0.0000000000000000,  0.0001317900000000 ]  - [   0.0000905800000000,  0.0000194500000000,  0.0000798600000000 ]  - [   0.0000905800000000, -0.0000194500000000,  0.0000798600000000 ]  - [  -0.0001387200000000,  0.0000000000000000,  0.0000806300000000 ]  - [  -0.0001280000000000,  0.0000104200000000,  0.0000622700000000 ]  - [  -0.0001280000000000, -0.0000104200000000,  0.0000622700000000 ]  - [   0.0024682200000000,  0.0000000000000000,  0.0052858600000000 ]  - [   0.0007080300000000, -0.0006894000000000,  0.0003440100000000 ]  - [   0.0007080300000000,  0.0006894000000000,  0.0003440100000000 ]  - [  -0.0136796400000000,  0.0000000000000000,  0.0057503000000000 ]  - [  -0.0007851800000000,  0.0001891100000000,  0.0018848200000000 ]  - [  -0.0007851800000000, -0.0001891100000000,  0.0018848200000000 ]  - [  -0.0001864000000000,  0.0000000000000000,  0.0000064700000000 ]  - [  -0.0002100000000000, -0.0000209100000000,  0.0000310500000000 ]  - [  -0.0002100000000000,  0.0000209100000000,  0.0000310500000000 ]  - [   0.0007150800000000,  0.0000000000000000, -0.0008259000000000 ]  - [   0.0003983800000000, -0.0003473900000000, -0.0005627500000000 ]  - [   0.0003983800000000,  0.0003473900000000, -0.0005627500000000 ]  - [   0.0009284000000000,  0.0000000000000000, -0.0013815200000000 ]  - [   0.0002479900000000,  0.0005796100000000, -0.0007611900000000 ]  - [   0.0002479900000000, -0.0005796100000000, -0.0007611900000000 ]  - [  -0.0070908800000000, -0.0150904600000000,  0.0170649000000000 ]  - [  -0.0001351600000000,  0.0000000000000000,  0.0010222800000000 ]  - [  -0.0070908800000000,  0.0150904600000000,  0.0170649000000000 ]  - [   0.0003118800000000, -0.0000034000000000, -0.0004811400000000 ]  - [   0.0002801100000000,  0.0000000000000000, -0.0004397100000000 ]  - [   0.0003118800000000,  0.0000034000000000, -0.0004811400000000 ]  - [  -0.0001313900000000, -0.0001597800000000, -0.0002635400000000 ]  - [  -0.0001906300000000,  0.0000000000000000, -0.0000794400000000 ]  - [  -0.0001313900000000,  0.0001597800000000, -0.0002635400000000 ]  - [   0.0010382300000000, -0.0000647200000000, -0.0001805100000000 ]  - [   0.0000810200000000,  0.0000000000000000,  0.0003199000000000 ]  - [   0.0010382300000000,  0.0000647200000000, -0.0001805100000000 ]  - [   0.0004850100000000, -0.0001529300000000,  0.0005992400000000 ]  - [  -0.0001437200000000,  0.0000000000000000,  0.0005192100000000 ]  - [   0.0004850100000000,  0.0001529300000000,  0.0005992400000000 ]  - [  -0.0003356900000000,  0.0001194300000000, -0.0003184200000000 ]  - [  -0.0003143400000000,  0.0000000000000000, -0.0001817800000000 ]  - [  -0.0003356900000000, -0.0001194300000000, -0.0003184200000000 ]  - [  -0.0004765000000000,  0.0001189100000000, -0.0006758400000000 ]  - [   0.0001896000000000,  0.0000000000000000, -0.0001969900000000 ]  - [  -0.0004765000000000, -0.0001189100000000, -0.0006758400000000 ]  - [   0.0002199300000000, -0.0000172400000000, -0.0003361900000000 ]  - [   0.0002172900000000,  0.0000000000000000, -0.0003432700000000 ]  - [   0.0002199300000000,  0.0000172400000000, -0.0003361900000000 ]  - [   0.0006264000000000,  0.0000000000000000,  0.0000428500000000 ]  - [   0.0005535200000000,  0.0000044600000000,  0.0000108300000000 ]  - [   0.0005535200000000, -0.0000044600000000,  0.0000108300000000 ]  - [  -0.0000682100000000,  0.0000000000000000, -0.0005936000000000 ]  - [  -0.0000127700000000, -0.0000486100000000, -0.0005042800000000 ]  - [  -0.0000127700000000,  0.0000486100000000, -0.0005042800000000 ]  - [  -0.0001667600000000,  0.0000000000000000, -0.0000475100000000 ]  - [  -0.0001457600000000, -0.0000031700000000, -0.0000121700000000 ]  - [  -0.0001457600000000,  0.0000031700000000, -0.0000121700000000 ]  - [  -0.0003821800000000,  0.0000000000000000,  0.0012688500000000 ]  - [  -0.0002721200000000, -0.0002627200000000,  0.0008528600000000 ]  - [  -0.0002721200000000,  0.0002627200000000,  0.0008528600000000 ]- atom:   25  displacement:    [   0.0051027950040762,  0.0000000000000000, -0.0086000862290081 ]  forces:  - [   0.0044934400000000,  0.0040776000000000,  0.0007277500000000 ]  - [   0.0001194700000000,  0.0000000000000000, -0.0001176500000000 ]  - [   0.0044934400000000, -0.0040776000000000,  0.0007277500000000 ]  - [   0.0003705100000000, -0.0000072300000000, -0.0008175700000000 ]  - [   0.0003491400000000,  0.0000000000000000, -0.0007493100000000 ]  - [   0.0003705100000000,  0.0000072300000000, -0.0008175700000000 ]  - [  -0.0001735500000000, -0.0001371800000000,  0.0001820700000000 ]  - [  -0.0002585800000000,  0.0000000000000000,  0.0002980600000000 ]  - [  -0.0001735500000000,  0.0001371800000000,  0.0001820700000000 ]  - [   0.0011349000000000, -0.0003454000000000, -0.0009172300000000 ]  - [  -0.0002596900000000,  0.0000000000000000,  0.0008509100000000 ]  - [   0.0011349000000000,  0.0003454000000000, -0.0009172300000000 ]  - [   0.0006873900000000,  0.0000000000000000, -0.0001844300000000 ]  - [   0.0005447600000000, -0.0002361700000000, -0.0002697500000000 ]  - [   0.0005447600000000,  0.0002361700000000, -0.0002697500000000 ]  - [   0.0002204200000000,  0.0000000000000000, -0.0009760700000000 ]  - [   0.0002282700000000,  0.0000374600000000, -0.0008745400000000 ]  - [   0.0002282700000000, -0.0000374600000000, -0.0008745400000000 ]  - [  -0.0004840600000000,  0.0000000000000000,  0.0002797100000000 ]  - [  -0.0004079500000000, -0.0001499100000000,  0.0003483700000000 ]  - [  -0.0004079500000000,  0.0001499100000000,  0.0003483700000000 ]  - [  -0.0001686400000000,  0.0000000000000000,  0.0007022800000000 ]  - [  -0.0001902800000000,  0.0000336100000000,  0.0006688900000000 ]  - [  -0.0001902800000000, -0.0000336100000000,  0.0006688900000000 ]  - [  -0.0322265700000000,  0.0000000000000000,  0.0467289700000000 ]  - [  -0.0005180700000000, -0.0003342400000000,  0.0012484700000000 ]  - [  -0.0005180700000000,  0.0003342400000000,  0.0012484700000000 ]  - [   0.0000353900000000,  0.0000000000000000,  0.0001546600000000 ]  - [   0.0000303800000000, -0.0000073600000000,  0.0001627800000000 ]  - [   0.0000303800000000,  0.0000073600000000,  0.0001627800000000 ]  - [   0.0001245700000000,  0.0000000000000000, -0.0005040900000000 ]  - [   0.0000124300000000, -0.0000407900000000, -0.0003359500000000 ]  - [   0.0000124300000000,  0.0000407900000000, -0.0003359500000000 ]  - [   0.0004007700000000,  0.0000000000000000, -0.0003825600000000 ]  - [   0.0001285300000000,  0.0001080000000000, -0.0002853700000000 ]  - [   0.0001285300000000, -0.0001080000000000, -0.0002853700000000 ]  - [   0.0005073200000000, -0.0002353900000000, -0.0002602500000000 ]  - [   0.0000868900000000,  0.0000000000000000, -0.0000212100000000 ]  - [   0.0005073200000000,  0.0002353900000000, -0.0002602500000000 ]  - [   0.0000160300000000,  0.0000836900000000, -0.0003659600000000 ]  - [   0.0000289700000000,  0.0000000000000000, -0.0003067400000000 ]  - [   0.0000160300000000, -0.0000836900000000, -0.0003659600000000 ]  - [  -0.0018623900000000, -0.0011038300000000, -0.0007086000000000 ]  - [  -0.0001391800000000,  0.0000000000000000,  0.0004235200000000 ]  - [  -0.0018623900000000,  0.0011038300000000, -0.0007086000000000 ]  - [  -0.0000264700000000,  0.0000003200000000, -0.0000141400000000 ]  - [  -0.0000304400000000,  0.0000000000000000, -0.0000076000000000 ]  - [  -0.0000264700000000, -0.0000003200000000, -0.0000141400000000 ]  - [   0.0005937000000000, -0.0003398400000000,  0.0007777100000000 ]  - [  -0.0000863800000000,  0.0000000000000000,  0.0001274800000000 ]  - [   0.0005937000000000,  0.0003398400000000,  0.0007777100000000 ]  - [   0.0000969300000000, -0.0000044400000000, -0.0001000300000000 ]  - [   0.0000947700000000,  0.0000000000000000, -0.0000836100000000 ]  - [   0.0000969300000000,  0.0000044400000000, -0.0001000300000000 ]  - [  -0.0001418200000000, -0.0000118000000000, -0.0001382700000000 ]  - [  -0.0001058200000000,  0.0000000000000000, -0.0000301700000000 ]  - [  -0.0001418200000000,  0.0000118000000000, -0.0001382700000000 ]  - [   0.0001494600000000,  0.0000014200000000,  0.0000289900000000 ]  - [   0.0001127600000000,  0.0000000000000000,  0.0000114300000000 ]  - [   0.0001494600000000, -0.0000014200000000,  0.0000289900000000 ]  - [   0.0001387900000000, -0.0000129300000000,  0.0003176400000000 ]  - [   0.0001115300000000,  0.0000000000000000,  0.0003075700000000 ]  - [   0.0001387900000000,  0.0000129300000000,  0.0003176400000000 ]  - [  -0.0000720800000000, -0.0000003400000000,  0.0001097900000000 ]  - [  -0.0000530200000000,  0.0000000000000000,  0.0001483100000000 ]  - [  -0.0000720800000000,  0.0000003400000000,  0.0001097900000000 ]  - [  -0.0000544700000000,  0.0000006800000000, -0.0002664000000000 ]  - [   0.0000054000000000,  0.0000000000000000, -0.0002674900000000 ]  - [  -0.0000544700000000, -0.0000006800000000, -0.0002664000000000 ]  - [  -0.0001718200000000,  0.0000407700000000, -0.0000494600000000 ]  - [  -0.0001558900000000,  0.0000000000000000, -0.0001481100000000 ]  - [  -0.0001718200000000, -0.0000407700000000, -0.0000494600000000 ]  - [   0.0002155400000000,  0.0000000000000000,  0.0006607500000000 ]  - [  -0.0000555400000000, -0.0001339700000000,  0.0001231300000000 ]  - [  -0.0000555400000000,  0.0001339700000000,  0.0001231300000000 ]  - [   0.0000216100000000,  0.0000000000000000, -0.0001435700000000 ]  - [   0.0000206600000000,  0.0000000800000000, -0.0001391500000000 ]  - [   0.0000206600000000, -0.0000000800000000, -0.0001391500000000 ]  - [   0.0001124900000000,  0.0000000000000000,  0.0001492900000000 ]  - [   0.0000782700000000, -0.0000866200000000,  0.0001383700000000 ]  - [   0.0000782700000000,  0.0000866200000000,  0.0001383700000000 ]  - [  -0.0000931900000000,  0.0000000000000000, -0.0004754700000000 ]  - [  -0.0001229500000000,  0.0000237800000000, -0.0001574000000000 ]  - [  -0.0001229500000000, -0.0000237800000000, -0.0001574000000000 ]  - [   0.0002482500000000,  0.0000000000000000,  0.0000657500000000 ]  - [   0.0003411700000000,  0.0001746100000000,  0.0000601000000000 ]  - [   0.0003411700000000, -0.0001746100000000,  0.0000601000000000 ]  - [   0.0000138700000000,  0.0000000000000000, -0.0001366600000000 ]  - [   0.0000121200000000, -0.0000192500000000, -0.0000853200000000 ]  - [   0.0000121200000000,  0.0000192500000000, -0.0000853200000000 ]  - [   0.0000353400000000,  0.0000000000000000, -0.0000738600000000 ]  - [   0.0000248400000000, -0.0000103800000000, -0.0000558000000000 ]  - [   0.0000248400000000,  0.0000103800000000, -0.0000558000000000 ]  - [  -0.0026089800000000,  0.0000000000000000, -0.0053362300000000 ]  - [  -0.0008169700000000,  0.0006938200000000, -0.0003440500000000 ]  - [  -0.0008169700000000, -0.0006938200000000, -0.0003440500000000 ]  - [   0.0133793800000000,  0.0000000000000000, -0.0051111400000000 ]  - [   0.0003242100000000, -0.0001754900000000, -0.0013402100000000 ]  - [   0.0003242100000000,  0.0001754900000000, -0.0013402100000000 ]  - [  -0.0002726400000000,  0.0000000000000000,  0.0005230300000000 ]  - [  -0.0002491400000000,  0.0000206300000000,  0.0004989700000000 ]  - [  -0.0002491400000000, -0.0000206300000000,  0.0004989700000000 ]  - [  -0.0002502300000000,  0.0000000000000000,  0.0002866500000000 ]  - [   0.0000622900000000,  0.0003429400000000,  0.0000271400000000 ]  - [   0.0000622900000000, -0.0003429400000000,  0.0000271400000000 ]  - [  -0.0004735700000000,  0.0000000000000000,  0.0008438400000000 ]  - [   0.0002056500000000, -0.0005724600000000,  0.0002263500000000 ]  - [   0.0002056500000000,  0.0005724600000000,  0.0002263500000000 ]  - [   0.0075026800000000,  0.0156973200000000, -0.0179321800000000 ]  - [   0.0004418300000000,  0.0000000000000000, -0.0014296500000000 ]  - [   0.0075026800000000, -0.0156973200000000, -0.0179321800000000 ]  - [   0.0000041600000000,  0.0000033400000000,  0.0000707200000000 ]  - [   0.0000352100000000,  0.0000000000000000,  0.0000294900000000 ]  - [   0.0000041600000000, -0.0000033400000000,  0.0000707200000000 ]  - [  -0.0001834600000000,  0.0001577500000000,  0.0006654000000000 ]  - [  -0.0001249200000000,  0.0000000000000000,  0.0004835500000000 ]  - [  -0.0001834600000000, -0.0001577500000000,  0.0006654000000000 ]  - [  -0.0013429600000000,  0.0000668100000000,  0.0005792500000000 ]  - [  -0.0003952000000000,  0.0000000000000000,  0.0000866300000000 ]  - [  -0.0013429600000000, -0.0000668100000000,  0.0005792500000000 ]  - [  -0.0009372400000000,  0.0001516000000000, -0.0000608800000000 ]  - [  -0.0003134100000000,  0.0000000000000000,  0.0000154900000000 ]  - [  -0.0009372400000000, -0.0001516000000000, -0.0000608800000000 ]  - [  -0.0001242900000000, -0.0001189700000000,  0.0008472500000000 ]  - [  -0.0001454100000000,  0.0000000000000000,  0.0007114400000000 ]  - [  -0.0001242900000000,  0.0001189700000000,  0.0008472500000000 ]  - [   0.0009336100000000, -0.0001169200000000,  0.0001456300000000 ]  - [   0.0002703000000000,  0.0000000000000000, -0.0003328500000000 ]  - [   0.0009336100000000,  0.0001169200000000,  0.0001456300000000 ]  - [   0.0002407800000000,  0.0000171600000000, -0.0001965300000000 ]  - [   0.0002428700000000,  0.0000000000000000, -0.0001891200000000 ]  - [   0.0002407800000000, -0.0000171600000000, -0.0001965300000000 ]  - [  -0.0003057400000000,  0.0000000000000000, -0.0004488000000000 ]  - [  -0.0002349400000000, -0.0000041400000000, -0.0004171600000000 ]  - [  -0.0002349400000000,  0.0000041400000000, -0.0004171600000000 ]  - [   0.0003805400000000,  0.0000000000000000,  0.0001849000000000 ]  - [   0.0003253300000000,  0.0000481900000000,  0.0000959200000000 ]  - [   0.0003253300000000, -0.0000481900000000,  0.0000959200000000 ]  - [  -0.0001464500000000,  0.0000000000000000,  0.0004540600000000 ]  - [  -0.0001673900000000,  0.0000034000000000,  0.0004184400000000 ]  - [  -0.0001673900000000, -0.0000034000000000,  0.0004184400000000 ]  - [   0.0000688500000000,  0.0000000000000000, -0.0008576000000000 ]  - [  -0.0000402100000000,  0.0002621200000000, -0.0004438400000000 ]  - [  -0.0000402100000000, -0.0002621200000000, -0.0004438400000000 ]- atom:   37  displacement:    [   0.0099998977798981,  0.0000000000000000,  0.0000452149487271 ]  forces:  - [   0.0006499500000000,  0.0000000000000000, -0.0007587100000000 ]  - [   0.0005490000000000,  0.0001401500000000, -0.0007142000000000 ]  - [   0.0005490000000000, -0.0001401500000000, -0.0007142000000000 ]  - [   0.0000742000000000,  0.0000000000000000,  0.0000245000000000 ]  - [   0.0000404700000000,  0.0000729000000000, -0.0003092600000000 ]  - [   0.0000404700000000, -0.0000729000000000, -0.0003092600000000 ]  - [  -0.0024096800000000,  0.0000000000000000,  0.0010588400000000 ]  - [  -0.0009195700000000, -0.0005982800000000,  0.0001791900000000 ]  - [  -0.0009195700000000,  0.0005982800000000,  0.0001791900000000 ]  - [  -0.0001548000000000,  0.0000000000000000,  0.0003940700000000 ]  - [  -0.0001984000000000,  0.0000113400000000,  0.0004614900000000 ]  - [  -0.0001984000000000, -0.0000113400000000,  0.0004614900000000 ]  - [  -0.0000998400000000,  0.0025150700000000,  0.0013346800000000 ]  - [  -0.0000998400000000, -0.0025150700000000,  0.0013346800000000 ]  - [   0.0001683400000000,  0.0000000000000000, -0.0001718400000000 ]  - [   0.0004280300000000, -0.0000108900000000, -0.0005304100000000 ]  - [   0.0004280300000000,  0.0000108900000000, -0.0005304100000000 ]  - [   0.0004149800000000,  0.0000000000000000, -0.0005384600000000 ]  - [  -0.0000775700000000, -0.0000343000000000,  0.0004987300000000 ]  - [  -0.0000775700000000,  0.0000343000000000,  0.0004987300000000 ]  - [  -0.0001016400000000,  0.0000000000000000,  0.0004921400000000 ]  - [  -0.0003819800000000, -0.0000031200000000,  0.0011937700000000 ]  - [  -0.0003819800000000,  0.0000031200000000,  0.0011937700000000 ]  - [  -0.0003726600000000,  0.0000000000000000,  0.0008377700000000 ]  - [   0.0002755300000000, -0.0000988900000000, -0.0001419500000000 ]  - [   0.0002755300000000,  0.0000988900000000, -0.0001419500000000 ]  - [  -0.0000117000000000,  0.0000000000000000,  0.0001844000000000 ]  - [  -0.0000384300000000, -0.0000866200000000,  0.0002523500000000 ]  - [  -0.0000384300000000,  0.0000866200000000,  0.0002523500000000 ]  - [  -0.0000313400000000,  0.0000000000000000,  0.0002409100000000 ]  - [   0.0004171300000000, -0.0013719900000000,  0.0021447300000000 ]  - [   0.0004171300000000,  0.0013719900000000,  0.0021447300000000 ]  - [  -0.0001057800000000,  0.0000000000000000, -0.0001940700000000 ]  - [   0.0000684400000000, -0.0000029400000000, -0.0002211900000000 ]  - [   0.0000684400000000,  0.0000029400000000, -0.0002211900000000 ]  - [   0.0000577500000000,  0.0000000000000000, -0.0002229100000000 ]  - [  -0.0422912400000000,  0.0000000000000000, -0.0053498200000000 ]  - [  -0.0006967800000000,  0.0004846100000000, -0.0002462500000000 ]  - [  -0.0006967800000000, -0.0004846100000000, -0.0002462500000000 ]  - [   0.0000543300000000,  0.0000000000000000, -0.0000684500000000 ]  - [   0.0000549900000000,  0.0000038300000000, -0.0000671800000000 ]  - [   0.0000549900000000, -0.0000038300000000, -0.0000671800000000 ]  - [   0.0002122800000000,  0.0000000000000000,  0.0000552500000000 ]  - [   0.0000694000000000,  0.0000427900000000,  0.0000646700000000 ]  - [   0.0000694000000000, -0.0000427900000000,  0.0000646700000000 ]  - [   0.0000076700000000,  0.0000000000000000,  0.0002738500000000 ]  - [   0.0000007500000000,  0.0000114100000000,  0.0002477300000000 ]  - [   0.0000007500000000, -0.0000114100000000,  0.0002477300000000 ]  - [  -0.0011775400000000,  0.0000000000000000, -0.0009746500000000 ]  - [  -0.0003181000000000, -0.0000559000000000, -0.0000012400000000 ]  - [  -0.0003181000000000,  0.0000559000000000, -0.0000012400000000 ]  - [   0.0000232200000000,  0.0000000000000000, -0.0000391200000000 ]  - [   0.0000446300000000,  0.0000038600000000, -0.0000329900000000 ]  - [   0.0000446300000000, -0.0000038600000000, -0.0000329900000000 ]  - [   0.0001718600000000,  0.0000000000000000,  0.0000718700000000 ]  - [   0.0001202100000000,  0.0000348300000000,  0.0000459500000000 ]  - [   0.0001202100000000, -0.0000348300000000,  0.0000459500000000 ]  - [   0.0001054600000000,  0.0000000000000000,  0.0002137200000000 ]  - [   0.0000831700000000, -0.0000607600000000,  0.0001292800000000 ]  - [   0.0000831700000000,  0.0000607600000000,  0.0001292800000000 ]  - [   0.0010624400000000,  0.0000000000000000,  0.0006684200000000 ]  - [   0.0000946800000000, -0.0001623700000000,  0.0004124100000000 ]  - [   0.0000946800000000,  0.0001623700000000,  0.0004124100000000 ]  - [   0.0000424100000000,  0.0000000000000000,  0.0002928400000000 ]  - [   0.0000292000000000,  0.0000087000000000,  0.0002861300000000 ]  - [   0.0000292000000000, -0.0000087000000000,  0.0002861300000000 ]  - [   0.0001301500000000,  0.0000000000000000, -0.0003480700000000 ]  - [   0.0000985900000000, -0.0000009100000000, -0.0003264800000000 ]  - [   0.0000985900000000,  0.0000009100000000, -0.0003264800000000 ]  - [  -0.0001190900000000,  0.0000000000000000, -0.0002515700000000 ]  - [  -0.0000471900000000, -0.0000393300000000, -0.0001757800000000 ]  - [  -0.0000471900000000,  0.0000393300000000, -0.0001757800000000 ]  - [   0.0002074900000000, -0.0000235000000000, -0.0000927100000000 ]  - [   0.0002074900000000,  0.0000235000000000, -0.0000927100000000 ]  - [   0.0001451400000000,  0.0000000000000000, -0.0001067100000000 ]  - [   0.0000731900000000,  0.0000010400000000,  0.0001424800000000 ]  - [   0.0000731900000000, -0.0000010400000000,  0.0001424800000000 ]  - [   0.0000748000000000,  0.0000000000000000,  0.0000941800000000 ]  - [   0.0044737000000000,  0.0048422800000000, -0.0003030100000000 ]  - [   0.0044737000000000, -0.0048422800000000, -0.0003030100000000 ]  - [  -0.0003856900000000,  0.0000000000000000, -0.0001759000000000 ]  - [  -0.0000439800000000, -0.0000030700000000,  0.0000985100000000 ]  - [  -0.0000439800000000,  0.0000030700000000,  0.0000985100000000 ]  - [  -0.0000467500000000,  0.0000000000000000,  0.0001080800000000 ]  - [   0.0003024600000000,  0.0000082300000000, -0.0000024400000000 ]  - [   0.0003024600000000, -0.0000082300000000, -0.0000024400000000 ]  - [   0.0002433100000000,  0.0000000000000000, -0.0000085400000000 ]  - [   0.0001188200000000, -0.0000483300000000,  0.0003213200000000 ]  - [   0.0001188200000000,  0.0000483300000000,  0.0003213200000000 ]  - [   0.0001042200000000,  0.0000000000000000,  0.0001004100000000 ]  - [  -0.0003384700000000, -0.0000543900000000, -0.0001025900000000 ]  - [  -0.0003384700000000,  0.0000543900000000, -0.0001025900000000 ]  - [  -0.0001143800000000,  0.0000000000000000, -0.0000386000000000 ]  - [  -0.0001676300000000, -0.0000226500000000, -0.0000841100000000 ]  - [  -0.0001676300000000,  0.0000226500000000, -0.0000841100000000 ]  - [  -0.0001774200000000,  0.0000000000000000, -0.0000280500000000 ]  - [  -0.0008259300000000,  0.0001417600000000,  0.0004303000000000 ]  - [  -0.0008259300000000, -0.0001417600000000,  0.0004303000000000 ]  - [  -0.0004287700000000,  0.0000000000000000,  0.0003890900000000 ]  - [  -0.0001977700000000,  0.0001211600000000, -0.0001320900000000 ]  - [  -0.0001977700000000, -0.0001211600000000, -0.0001320900000000 ]  - [  -0.0002409100000000,  0.0000000000000000, -0.0000284800000000 ]  - [   0.0071400200000000,  0.0045763400000000, -0.0050211300000000 ]  - [   0.0071400200000000, -0.0045763400000000, -0.0050211300000000 ]  - [   0.0008053800000000,  0.0000000000000000, -0.0003469200000000 ]  - [   0.0001873900000000,  0.0000281300000000, -0.0002681500000000 ]  - [   0.0001873900000000, -0.0000281300000000, -0.0002681500000000 ]  - [   0.0002213700000000,  0.0000000000000000, -0.0002896000000000 ]  - [   0.0000285400000000,  0.0000000000000000,  0.0004940800000000 ]  - [   0.0002231400000000, -0.0002303200000000,  0.0001847100000000 ]  - [   0.0002231400000000,  0.0002303200000000,  0.0001847100000000 ]  - [   0.0004630800000000,  0.0000000000000000, -0.0002945000000000 ]  - [   0.0002975900000000, -0.0000721100000000, -0.0000298800000000 ]  - [   0.0002975900000000,  0.0000721100000000, -0.0000298800000000 ]  - [   0.0000165800000000,  0.0000000000000000, -0.0014024700000000 ]  - [   0.0004707400000000, -0.0006082300000000, -0.0004949400000000 ]  - [   0.0004707400000000,  0.0006082300000000, -0.0004949400000000 ]  - [  -0.0005331900000000,  0.0000000000000000,  0.0002298600000000 ]  - [  -0.0004607300000000,  0.0000199300000000,  0.0002194500000000 ]  - [  -0.0004607300000000, -0.0000199300000000,  0.0002194500000000 ]  - [   0.0204296300000000,  0.0000000000000000,  0.0120344300000000 ]  - [   0.0008496900000000,  0.0012730300000000,  0.0001526500000000 ]  - [   0.0008496900000000, -0.0012730300000000,  0.0001526500000000 ]  - [  -0.0002799400000000,  0.0000000000000000,  0.0002145000000000 ]  - [  -0.0002746700000000, -0.0000132000000000,  0.0002162200000000 ]  - [  -0.0002746700000000,  0.0000132000000000,  0.0002162200000000 ]  - [  -0.0002636500000000,  0.0000000000000000, -0.0002859700000000 ]  - [  -0.0000762800000000, -0.0000107000000000, -0.0002049900000000 ]  - [  -0.0000762800000000,  0.0000107000000000, -0.0002049900000000 ]  - [   0.0002333700000000,  0.0000000000000000, -0.0007464600000000 ]  - [   0.0001779400000000,  0.0000916500000000, -0.0006762300000000 ]  - [   0.0001779400000000, -0.0000916500000000, -0.0006762300000000 ]  - [  -0.0004259400000000, -0.0001879300000000, -0.0011071900000000 ]  - [  -0.0004259400000000,  0.0001879300000000, -0.0011071900000000 ]  - [  -0.0000368700000000,  0.0000000000000000, -0.0006284800000000 ]  - [  -0.0001133300000000,  0.0000414900000000, -0.0003382000000000 ]  - [  -0.0001133300000000, -0.0000414900000000, -0.0003382000000000 ]  - [  -0.0000341900000000,  0.0000000000000000, -0.0003156400000000 ]  - [  -0.0002809500000000, -0.0000125100000000,  0.0003991200000000 ]  - [  -0.0002809500000000,  0.0000125100000000,  0.0003991200000000 ]  - [  -0.0002619800000000,  0.0000000000000000,  0.0003677100000000 ]  - [   0.0007844800000000,  0.0002661300000000, -0.0003943100000000 ]  - [   0.0007844800000000, -0.0002661300000000, -0.0003943100000000 ]  - [   0.0002441000000000,  0.0000000000000000, -0.0000208600000000 ]- atom:   37  displacement:    [  -0.0099998977798981,  0.0000000000000000, -0.0000452149487271 ]  forces:  - [  -0.0000374300000000,  0.0000000000000000, -0.0003215700000000 ]  - [   0.0000628900000000, -0.0001379500000000, -0.0003656400000000 ]  - [   0.0000628900000000,  0.0001379500000000, -0.0003656400000000 ]  - [   0.0005297300000000,  0.0000000000000000, -0.0011129100000000 ]  - [   0.0005662200000000, -0.0000730700000000, -0.0007734600000000 ]  - [   0.0005662200000000,  0.0000730700000000, -0.0007734600000000 ]  - [   0.0017968000000000,  0.0000000000000000, -0.0000394500000000 ]  - [   0.0002983600000000,  0.0005753200000000,  0.0008857500000000 ]  - [   0.0002983600000000, -0.0005753200000000,  0.0008857500000000 ]  - [  -0.0004544900000000,  0.0000000000000000,  0.0006818800000000 ]  - [  -0.0004112300000000, -0.0000114500000000,  0.0006152500000000 ]  - [  -0.0004112300000000,  0.0000114500000000,  0.0006152500000000 ]  - [   0.0007128300000000, -0.0025334500000000, -0.0024168100000000 ]  - [   0.0007128300000000,  0.0025334500000000, -0.0024168100000000 ]  - [   0.0004421200000000,  0.0000000000000000, -0.0009058700000000 ]  - [   0.0001831800000000,  0.0000109900000000, -0.0005489700000000 ]  - [   0.0001831800000000, -0.0000109900000000, -0.0005489700000000 ]  - [   0.0001959500000000,  0.0000000000000000, -0.0005410200000000 ]  - [  -0.0005314800000000,  0.0000341300000000,  0.0005822900000000 ]  - [  -0.0005314800000000, -0.0000341300000000,  0.0005822900000000 ]  - [  -0.0005078700000000,  0.0000000000000000,  0.0005884200000000 ]  - [  -0.0002289200000000,  0.0000031400000000, -0.0001180200000000 ]  - [  -0.0002289200000000, -0.0000031400000000, -0.0001180200000000 ]  - [  -0.0002376900000000,  0.0000000000000000,  0.0002395400000000 ]  - [  -0.0002783700000000,  0.0000965200000000,  0.0006128300000000 ]  - [  -0.0002783700000000, -0.0000965200000000,  0.0006128300000000 ]  - [   0.0000040800000000,  0.0000000000000000,  0.0002922700000000 ]  - [   0.0000308800000000,  0.0000875300000000,  0.0002219400000000 ]  - [   0.0000308800000000, -0.0000875300000000,  0.0002219400000000 ]  - [   0.0000242200000000,  0.0000000000000000,  0.0002337600000000 ]  - [  -0.0004062600000000,  0.0013504600000000, -0.0025896800000000 ]  - [  -0.0004062600000000, -0.0013504600000000, -0.0025896800000000 ]  - [   0.0001101300000000,  0.0000000000000000, -0.0002816900000000 ]  - [  -0.0000612400000000,  0.0000029000000000, -0.0002553200000000 ]  - [  -0.0000612400000000, -0.0000029000000000, -0.0002553200000000 ]  - [  -0.0000504500000000,  0.0000000000000000, -0.0002537200000000 ]  - [   0.0430271900000000,  0.0000000000000000,  0.0057481400000000 ]  - [   0.0007854800000000, -0.0004921900000000,  0.0000914600000000 ]  - [   0.0007854800000000,  0.0004921900000000,  0.0000914600000000 ]  - [   0.0000349500000000,  0.0000000000000000, -0.0000922200000000 ]  - [   0.0000342200000000, -0.0000038500000000, -0.0000932500000000 ]  - [   0.0000342200000000,  0.0000038500000000, -0.0000932500000000 ]  - [  -0.0002996100000000,  0.0000000000000000,  0.0001056100000000 ]  - [  -0.0001579900000000, -0.0000422200000000,  0.0000959700000000 ]  - [  -0.0001579900000000,  0.0000422200000000,  0.0000959700000000 ]  - [  -0.0000973800000000,  0.0000000000000000, -0.0001171400000000 ]  - [  -0.0000904500000000, -0.0000114600000000, -0.0000905200000000 ]  - [  -0.0000904500000000,  0.0000114600000000, -0.0000905200000000 ]  - [   0.0012743300000000,  0.0000000000000000,  0.0009911400000000 ]  - [   0.0004202800000000,  0.0000565200000000, -0.0000042400000000 ]  - [   0.0004202800000000, -0.0000565200000000, -0.0000042400000000 ]  - [   0.0000811700000000,  0.0000000000000000,  0.0000326600000000 ]  - [   0.0000591700000000, -0.0000040200000000,  0.0000265600000000 ]  - [   0.0000591700000000,  0.0000040200000000,  0.0000265600000000 ]  - [  -0.0002744100000000,  0.0000000000000000, -0.0000651900000000 ]  - [  -0.0002228700000000, -0.0000347200000000, -0.0000393100000000 ]  - [  -0.0002228700000000,  0.0000347200000000, -0.0000393100000000 ]  - [  -0.0002078300000000,  0.0000000000000000, -0.0002084900000000 ]  - [  -0.0001851800000000,  0.0000611900000000, -0.0001240900000000 ]  - [  -0.0001851800000000, -0.0000611900000000, -0.0001240900000000 ]  - [  -0.0010729200000000,  0.0000000000000000, -0.0001916400000000 ]  - [  -0.0001023600000000,  0.0001632200000000,  0.0000634100000000 ]  - [  -0.0001023600000000, -0.0001632200000000,  0.0000634100000000 ]  - [  -0.0000498900000000,  0.0000000000000000,  0.0001831100000000 ]  - [  -0.0000368100000000, -0.0000086100000000,  0.0001898600000000 ]  - [  -0.0000368100000000,  0.0000086100000000,  0.0001898600000000 ]  - [  -0.0001215700000000,  0.0000000000000000, -0.0001277000000000 ]  - [  -0.0000903600000000,  0.0000006800000000, -0.0001491200000000 ]  - [  -0.0000903600000000, -0.0000006800000000, -0.0001491200000000 ]  - [   0.0001262900000000,  0.0000000000000000, -0.0002251300000000 ]  - [   0.0000541000000000,  0.0000398100000000, -0.0003008000000000 ]  - [   0.0000541000000000, -0.0000398100000000, -0.0003008000000000 ]  - [  -0.0001173600000000,  0.0000231300000000, -0.0000651600000000 ]  - [  -0.0001173600000000, -0.0000231300000000, -0.0000651600000000 ]  - [  -0.0000553500000000,  0.0000000000000000, -0.0000517200000000 ]  - [   0.0000147800000000, -0.0000011400000000, -0.0003035100000000 ]  - [   0.0000147800000000,  0.0000011400000000, -0.0003035100000000 ]  - [   0.0000133100000000,  0.0000000000000000, -0.0002550400000000 ]  - [  -0.0046452300000000, -0.0049238000000000,  0.0004661600000000 ]  - [  -0.0046452300000000,  0.0049238000000000,  0.0004661600000000 ]  - [   0.0002986400000000,  0.0000000000000000,  0.0003390900000000 ]  - [  -0.0000452600000000,  0.0000030300000000,  0.0000599500000000 ]  - [  -0.0000452600000000, -0.0000030300000000,  0.0000599500000000 ]  - [  -0.0000424800000000,  0.0000000000000000,  0.0000504000000000 ]  - [  -0.0001998800000000, -0.0000084500000000, -0.0000037500000000 ]  - [  -0.0001998800000000,  0.0000084500000000, -0.0000037500000000 ]  - [  -0.0001408000000000,  0.0000000000000000,  0.0000022700000000 ]  - [  -0.0000182700000000,  0.0000484700000000, -0.0003266100000000 ]  - [  -0.0000182700000000, -0.0000484700000000, -0.0003266100000000 ]  - [  -0.0000034600000000,  0.0000000000000000, -0.0001067600000000 ]  - [   0.0002405100000000,  0.0000554800000000,  0.0001060100000000 ]  - [   0.0002405100000000, -0.0000554800000000,  0.0001060100000000 ]  - [   0.0000145600000000,  0.0000000000000000,  0.0000446400000000 ]  - [   0.0000649500000000,  0.0000224100000000,  0.0000890100000000 ]  - [   0.0000649500000000, -0.0000224100000000,  0.0000890100000000 ]  - [   0.0000750300000000,  0.0000000000000000,  0.0000335100000000 ]  - [   0.0003628800000000, -0.0001397500000000,  0.0001013000000000 ]  - [   0.0003628800000000,  0.0001397500000000,  0.0001013000000000 ]  - [  -0.0000306400000000,  0.0000000000000000,  0.0001418100000000 ]  - [  -0.0002590500000000, -0.0001228900000000,  0.0006691500000000 ]  - [  -0.0002590500000000,  0.0001228900000000,  0.0006691500000000 ]  - [  -0.0002163300000000,  0.0000000000000000,  0.0005651500000000 ]  - [  -0.0066174800000000, -0.0046578700000000,  0.0045367300000000 ]  - [  -0.0066174800000000,  0.0046578700000000,  0.0045367300000000 ]  - [  -0.0003503700000000,  0.0000000000000000, -0.0001934900000000 ]  - [   0.0002711600000000, -0.0000275700000000, -0.0002618400000000 ]  - [   0.0002711600000000,  0.0000275700000000, -0.0002618400000000 ]  - [   0.0002372800000000,  0.0000000000000000, -0.0002408900000000 ]  - [   0.0002824300000000,  0.0000000000000000, -0.0008934100000000 ]  - [   0.0000890000000000,  0.0002280100000000, -0.0005875600000000 ]  - [   0.0000890000000000, -0.0002280100000000, -0.0005875600000000 ]  - [  -0.0001563000000000,  0.0000000000000000, -0.0001004900000000 ]  - [   0.0000110700000000,  0.0000719300000000, -0.0003701900000000 ]  - [   0.0000110700000000, -0.0000719300000000, -0.0003701900000000 ]  - [  -0.0003085400000000,  0.0000000000000000,  0.0018050700000000 ]  - [  -0.0007709800000000,  0.0006042600000000,  0.0009009100000000 ]  - [  -0.0007709800000000, -0.0006042600000000,  0.0009009100000000 ]  - [   0.0002197200000000,  0.0000000000000000,  0.0001800800000000 ]  - [   0.0001475700000000, -0.0000200600000000,  0.0001897400000000 ]  - [   0.0001475700000000,  0.0000200600000000,  0.0001897400000000 ]  - [  -0.0214918500000000,  0.0000000000000000, -0.0121599400000000 ]  - [  -0.0013135100000000, -0.0012730100000000,  0.0003724200000000 ]  - [  -0.0013135100000000,  0.0012730100000000,  0.0003724200000000 ]  - [  -0.0001790600000000,  0.0000000000000000,  0.0003197200000000 ]  - [  -0.0001842500000000,  0.0000132200000000,  0.0003181300000000 ]  - [  -0.0001842500000000, -0.0000132200000000,  0.0003181300000000 ]  - [   0.0007198100000000,  0.0000000000000000, -0.0002505500000000 ]  - [   0.0005343600000000,  0.0000106300000000, -0.0003301100000000 ]  - [   0.0005343600000000, -0.0000106300000000, -0.0003301100000000 ]  - [   0.0002263100000000,  0.0000000000000000,  0.0002185500000000 ]  - [   0.0002810900000000, -0.0000923700000000,  0.0001477100000000 ]  - [   0.0002810900000000,  0.0000923700000000,  0.0001477100000000 ]  - [   0.0007405200000000,  0.0001889300000000,  0.0007036900000000 ]  - [   0.0007405200000000, -0.0001889300000000,  0.0007036900000000 ]  - [   0.0003488000000000,  0.0000000000000000,  0.0002229000000000 ]  - [   0.0004269400000000, -0.0000412600000000, -0.0000700300000000 ]  - [   0.0004269400000000,  0.0000412600000000, -0.0000700300000000 ]  - [   0.0003478600000000,  0.0000000000000000, -0.0000926100000000 ]  - [  -0.0000360100000000,  0.0000122600000000,  0.0000067600000000 ]  - [  -0.0000360100000000, -0.0000122600000000,  0.0000067600000000 ]  - [  -0.0000541700000000,  0.0000000000000000,  0.0000379100000000 ]  - [  -0.0010983600000000, -0.0002657600000000,  0.0008057100000000 ]  - [  -0.0010983600000000,  0.0002657600000000,  0.0008057100000000 ]  - [  -0.0005563500000000,  0.0000000000000000,  0.0004296800000000 ]- atom:   37  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0003048000000000, -0.0001868500000000, -0.0005397300000000 ]  - [   0.0003711000000000,  0.0000989100000000, -0.0005594600000000 ]  - [   0.0002395400000000,  0.0000996400000000, -0.0005198800000000 ]  - [   0.0003044400000000, -0.0001771100000000, -0.0005401200000000 ]  - [   0.0003912200000000,  0.0000254700000000,  0.0001882000000000 ]  - [   0.0002207500000000,  0.0000269800000000, -0.0012608400000000 ]  - [  -0.0003022800000000, -0.0046737500000000,  0.0005155700000000 ]  - [   0.0005099800000000,  0.0048126000000000,  0.0028571800000000 ]  - [  -0.0011147400000000,  0.0047950300000000, -0.0017658300000000 ]  - [  -0.0003057700000000, -0.0000322200000000,  0.0005397400000000 ]  - [  -0.0002899500000000,  0.0000140100000000,  0.0004906600000000 ]  - [  -0.0003211300000000,  0.0000147200000000,  0.0005881600000000 ]  - [   0.0006967700000000, -0.0009840800000000,  0.0001478500000000 ]  - [  -0.0000850300000000, -0.0010091300000000, -0.0012205400000000 ]  - [   0.0003047800000000,  0.0009630400000000, -0.0005404800000000 ]  - [   0.0003113400000000, -0.0000311100000000, -0.0005909400000000 ]  - [   0.0002990300000000, -0.0000313000000000, -0.0004861200000000 ]  - [   0.0003052300000000,  0.0000627300000000, -0.0005384600000000 ]  - [  -0.0002824000000000, -0.0000850800000000,  0.0005450500000000 ]  - [  -0.0003284600000000, -0.0000854800000000,  0.0005323000000000 ]  - [  -0.0003054000000000,  0.0001760600000000,  0.0005387800000000 ]  - [  -0.0002685400000000, -0.0000138000000000,  0.0007023300000000 ]  - [  -0.0003399100000000, -0.0000145000000000,  0.0003807000000000 ]  - [  -0.0003052400000000,  0.0000535100000000,  0.0005392700000000 ]  - [  -0.0001676600000000,  0.0000027700000000,  0.0004174700000000 ]  - [   0.0001596900000000,  0.0000025500000000,  0.0000584900000000 ]  - [  -0.0000036200000000,  0.0000557900000000,  0.0002380000000000 ]  - [  -0.0000220400000000, -0.0001158800000000,  0.0001305900000000 ]  - [   0.0000144200000000, -0.0001171000000000,  0.0003474200000000 ]  - [  -0.0000038200000000,  0.0002667200000000,  0.0002391000000000 ]  - [  -0.0011188400000000,  0.0006201300000000, -0.0021856900000000 ]  - [   0.0011387800000000,  0.0006248600000000,  0.0017241300000000 ]  - [   0.0000047800000000,  0.0004693500000000, -0.0002378300000000 ]  - [   0.0000061600000000, -0.0000082200000000, -0.0002362800000000 ]  - [   0.0000014200000000, -0.0000084800000000, -0.0002401300000000 ]  - [   0.0000038100000000,  0.0000165300000000, -0.0002383300000000 ]  - [   0.0001766900000000, -0.0253755400000000, -0.0004306900000000 ]  - [  -0.0004485100000000,  0.0035117900000000,  0.0001137600000000 ]  - [   0.0005300600000000,  0.0034522200000000, -0.0002697800000000 ]  - [   0.0000447300000000, -0.0000109300000000, -0.0000791100000000 ]  - [   0.0000408300000000,  0.0000055200000000, -0.0000695500000000 ]  - [   0.0000485200000000,  0.0000062500000000, -0.0000885600000000 ]  - [  -0.0000448000000000, -0.0000750000000000,  0.0000790500000000 ]  - [  -0.0000019800000000,  0.0000364300000000,  0.0000592300000000 ]  - [  -0.0000872800000000,  0.0000366600000000,  0.0000987000000000 ]  - [  -0.0000442700000000, -0.0000666600000000,  0.0000803900000000 ]  - [  -0.0000329000000000,  0.0000317500000000,  0.0001013700000000 ]  - [  -0.0000556400000000,  0.0000320000000000,  0.0000595200000000 ]  - [   0.0000511500000000, -0.0009906000000000,  0.0000169100000000 ]  - [  -0.0000056200000000,  0.0000412600000000, -0.0002069000000000 ]  - [   0.0001065000000000,  0.0000431400000000,  0.0001996400000000 ]  - [   0.0000506900000000, -0.0000931400000000, -0.0000026500000000 ]  - [  -0.0000179500000000,  0.0000471700000000,  0.0000273400000000 ]  - [   0.0001191200000000,  0.0000471100000000, -0.0000328500000000 ]  - [  -0.0000508600000000, -0.0000710400000000,  0.0000029500000000 ]  - [   0.0000604300000000,  0.0000429000000000,  0.0000408100000000 ]  - [  -0.0001620300000000,  0.0000430200000000, -0.0000347100000000 ]  - [  -0.0000507200000000, -0.0000641900000000,  0.0000036500000000 ]  - [  -0.0000579800000000,  0.0000259800000000, -0.0000284500000000 ]  - [  -0.0000431700000000,  0.0000266300000000,  0.0000346000000000 ]  - [   0.0000034300000000, -0.0001604000000000,  0.0002400600000000 ]  - [  -0.0000856500000000,  0.0001083900000000,  0.0000334800000000 ]  - [   0.0000782100000000,  0.0001098500000000,  0.0004427000000000 ]  - [  -0.0000039800000000, -0.0000315300000000,  0.0002386500000000 ]  - [   0.0000083300000000,  0.0000158000000000,  0.0002460400000000 ]  - [  -0.0000161300000000,  0.0000158100000000,  0.0002313000000000 ]  - [   0.0000033800000000, -0.0000733500000000, -0.0002387100000000 ]  - [  -0.0000656900000000,  0.0000378100000000, -0.0001783300000000 ]  - [   0.0000725200000000,  0.0000379100000000, -0.0002989700000000 ]  - [   0.0000048200000000, -0.0000376900000000, -0.0002364400000000 ]  - [  -0.0000151400000000,  0.0000306700000000, -0.0002771600000000 ]  - [   0.0000227700000000,  0.0000316300000000, -0.0001990900000000 ]  - [   0.0000680100000000, -0.0000255000000000, -0.0000943400000000 ]  - [   0.0000212800000000, -0.0000257100000000, -0.0000658700000000 ]  - [   0.0000446200000000,  0.0000531900000000, -0.0000800800000000 ]  - [   0.0000440600000000, -0.0000106000000000, -0.0001205900000000 ]  - [   0.0000457800000000, -0.0000108800000000, -0.0000365000000000 ]  - [   0.0000448300000000,  0.0000300500000000, -0.0000785000000000 ]  - [   0.0048126300000000,  0.0023207500000000,  0.0002958800000000 ]  - [  -0.0049510500000000,  0.0023183800000000, -0.0001354100000000 ]  - [  -0.0000465300000000,  0.0005682300000000,  0.0000775700000000 ]  - [  -0.0000476800000000, -0.0000064200000000,  0.0000832900000000 ]  - [  -0.0000415200000000, -0.0000064500000000,  0.0000769000000000 ]  - [  -0.0000445600000000,  0.0000131700000000,  0.0000798800000000 ]  - [   0.0000687400000000, -0.0000127800000000,  0.0000104900000000 ]  - [   0.0000346400000000, -0.0000127600000000, -0.0000162900000000 ]  - [   0.0000514600000000,  0.0000295500000000, -0.0000031700000000 ]  - [  -0.0000069500000000, -0.0001601200000000, -0.0002349900000000 ]  - [   0.0001105600000000, -0.0001610200000000,  0.0002299200000000 ]  - [   0.0000516900000000,  0.0002432000000000, -0.0000024000000000 ]  - [   0.0003639200000000, -0.0001126500000000, -0.0005579900000000 ]  - [  -0.0004716000000000, -0.0001138600000000,  0.0005667800000000 ]  - [  -0.0000523600000000,  0.0003013600000000,  0.0000033300000000 ]  - [  -0.0000520600000000, -0.0000347300000000,  0.0000249900000000 ]  - [  -0.0000522100000000, -0.0000355800000000, -0.0000184400000000 ]  - [  -0.0000512800000000,  0.0000503800000000,  0.0000030100000000 ]  - [  -0.0000788700000000,  0.0000849300000000,  0.0002530200000000 ]  - [  -0.0003790600000000,  0.0000856500000000,  0.0002828300000000 ]  - [  -0.0002297500000000, -0.0001642100000000,  0.0002677300000000 ]  - [  -0.0002491600000000,  0.0002708500000000,  0.0004022000000000 ]  - [  -0.0002112200000000,  0.0002740700000000,  0.0001271600000000 ]  - [  -0.0002301500000000, -0.0005585500000000,  0.0002640500000000 ]  - [   0.0043622200000000,  0.0042412000000000, -0.0017946700000000 ]  - [  -0.0040311600000000,  0.0044854400000000,  0.0015677600000000 ]  - [   0.0002328100000000, -0.0036881500000000, -0.0002704700000000 ]  - [   0.0002417600000000,  0.0000273000000000, -0.0002763500000000 ]  - [   0.0002180200000000,  0.0000273800000000, -0.0002595600000000 ]  - [   0.0002294700000000, -0.0000561800000000, -0.0002678600000000 ]  - [   0.0001596700000000,  0.0002720300000000, -0.0002037900000000 ]  - [   0.0000581100000000, -0.0001334300000000, -0.0000482400000000 ]  - [   0.0002559900000000, -0.0001351900000000, -0.0003573300000000 ]  - [   0.0001552700000000,  0.0004743200000000, -0.0002042600000000 ]  - [   0.0005389200000000, -0.0001677800000000, -0.0010644400000000 ]  - [  -0.0002237400000000, -0.0001687500000000,  0.0006509200000000 ]  - [  -0.0001533500000000,  0.0009905200000000,  0.0002023800000000 ]  - [  -0.0007541100000000, -0.0004312700000000, -0.0007955400000000 ]  - [   0.0004359400000000, -0.0004333000000000,  0.0011956200000000 ]  - [  -0.0001569600000000,  0.0000370200000000,  0.0002032800000000 ]  - [  -0.0001543200000000, -0.0000182200000000,  0.0002280200000000 ]  - [  -0.0001592500000000, -0.0000184900000000,  0.0001787800000000 ]  - [  -0.0002102200000000,  0.0064680300000000,  0.0002862900000000 ]  - [   0.0005093200000000, -0.0016216600000000,  0.0020233700000000 ]  - [  -0.0009587900000000, -0.0016296600000000, -0.0014771300000000 ]  - [  -0.0002289400000000,  0.0000607200000000,  0.0002654600000000 ]  - [  -0.0002021100000000, -0.0000301500000000,  0.0002418500000000 ]  - [  -0.0002559800000000, -0.0000305200000000,  0.0002891500000000 ]  - [   0.0002297200000000,  0.0001388000000000, -0.0002654400000000 ]  - [   0.0002334100000000, -0.0000690200000000, -0.0002755600000000 ]  - [   0.0002260200000000, -0.0000692800000000, -0.0002558900000000 ]  - [   0.0002282000000000,  0.0001811600000000, -0.0002687600000000 ]  - [   0.0002275000000000, -0.0000892800000000, -0.0002726500000000 ]  - [   0.0002296400000000, -0.0000914200000000, -0.0002641100000000 ]  - [   0.0000020500000000,  0.0000585200000000, -0.0004169600000000 ]  - [   0.0003063200000000,  0.0000610300000000,  0.0000058500000000 ]  - [   0.0001561500000000, -0.0001865400000000, -0.0002035000000000 ]  - [   0.0002436900000000,  0.0000581400000000, -0.0001673400000000 ]  - [   0.0000686900000000,  0.0000584000000000, -0.0002409500000000 ]  - [   0.0001558800000000, -0.0001148000000000, -0.0002040300000000 ]  - [  -0.0003787200000000,  0.0000894100000000,  0.0002928100000000 ]  - [   0.0000680900000000,  0.0000895800000000,  0.0001132100000000 ]  - [  -0.0001555300000000, -0.0001780600000000,  0.0002031500000000 ]  - [  -0.0000921300000000,  0.0000759600000000, -0.0000690200000000 ]  - [  -0.0002227300000000,  0.0000828000000000,  0.0004690200000000 ]  - [  -0.0001561200000000, -0.0002035000000000,  0.0002039500000000 ]- atom:   37  displacement:    [  -0.0051027950040762,  0.0000000000000000,  0.0086000862290081 ]  forces:  - [  -0.0000744700000000,  0.0000000000000000, -0.0006322900000000 ]  - [   0.0000696300000000, -0.0001833500000000, -0.0006078700000000 ]  - [   0.0000696300000000,  0.0001833500000000, -0.0006078700000000 ]  - [   0.0008291300000000,  0.0000000000000000,  0.0008658900000000 ]  - [   0.0005336900000000, -0.0000168600000000,  0.0002350300000000 ]  - [   0.0005336900000000,  0.0000168600000000,  0.0002350300000000 ]  - [  -0.0002601300000000,  0.0000000000000000,  0.0099174800000000 ]  - [   0.0006191100000000,  0.0037896400000000,  0.0022947800000000 ]  - [   0.0006191100000000, -0.0037896400000000,  0.0022947800000000 ]  - [  -0.0005586700000000,  0.0000000000000000,  0.0009517200000000 ]  - [  -0.0004840000000000, -0.0000750400000000,  0.0008163500000000 ]  - [  -0.0004840000000000,  0.0000750400000000,  0.0008163500000000 ]  - [   0.0013354100000000,  0.0020349500000000,  0.0001856800000000 ]  - [   0.0013354100000000, -0.0020349500000000,  0.0001856800000000 ]  - [   0.0004920300000000,  0.0000000000000000, -0.0007232300000000 ]  - [   0.0002244700000000, -0.0000109700000000, -0.0003221700000000 ]  - [   0.0002244700000000,  0.0000109700000000, -0.0003221700000000 ]  - [   0.0002400900000000,  0.0000000000000000, -0.0003429600000000 ]  - [  -0.0003802500000000,  0.0000082200000000,  0.0003343800000000 ]  - [  -0.0003802500000000, -0.0000082200000000,  0.0003343800000000 ]  - [  -0.0003632300000000,  0.0000000000000000,  0.0003622000000000 ]  - [   0.0002078800000000,  0.0000921500000000,  0.0013246300000000 ]  - [   0.0002078800000000, -0.0000921500000000,  0.0013246300000000 ]  - [  -0.0001309300000000,  0.0000000000000000,  0.0007968300000000 ]  - [  -0.0004095600000000,  0.0001494400000000,  0.0004542500000000 ]  - [  -0.0004095600000000, -0.0001494400000000,  0.0004542500000000 ]  - [  -0.0000627700000000,  0.0000000000000000,  0.0001703300000000 ]  - [  -0.0000038400000000, -0.0001062300000000,  0.0005090600000000 ]  - [  -0.0000038400000000,  0.0001062300000000,  0.0005090600000000 ]  - [  -0.0000361600000000,  0.0000000000000000,  0.0004380100000000 ]  - [   0.0008488200000000, -0.0003279100000000, -0.0000348800000000 ]  - [   0.0008488200000000,  0.0003279100000000, -0.0000348800000000 ]  - [   0.0002772300000000,  0.0000000000000000, -0.0004786200000000 ]  - [  -0.0000181600000000,  0.0000180500000000, -0.0001459500000000 ]  - [  -0.0000181600000000, -0.0000180500000000, -0.0001459500000000 ]  - [  -0.0000139600000000,  0.0000000000000000, -0.0001527100000000 ]  - [   0.0173167900000000,  0.0000000000000000, -0.0398699900000000 ]  - [   0.0002833600000000, -0.0004199300000000, -0.0012625200000000 ]  - [   0.0002833600000000,  0.0004199300000000, -0.0012625200000000 ]  - [   0.0000487700000000,  0.0000000000000000,  0.0001570700000000 ]  - [   0.0000495600000000, -0.0000101600000000,  0.0001421700000000 ]  - [   0.0000495600000000,  0.0000101600000000,  0.0001421700000000 ]  - [  -0.0001956000000000,  0.0000000000000000, -0.0001851700000000 ]  - [  -0.0001148200000000, -0.0000385900000000, -0.0001669800000000 ]  - [  -0.0001148200000000,  0.0000385900000000, -0.0001669800000000 ]  - [   0.0000943200000000,  0.0000000000000000,  0.0005860800000000 ]  - [   0.0000757300000000,  0.0000123100000000,  0.0004852200000000 ]  - [   0.0000757300000000, -0.0000123100000000,  0.0004852200000000 ]  - [   0.0005885700000000,  0.0000000000000000,  0.0077159800000000 ]  - [   0.0000578700000000, -0.0001948700000000, -0.0000111200000000 ]  - [   0.0000578700000000,  0.0001948700000000, -0.0000111200000000 ]  - [  -0.0002300200000000,  0.0000000000000000,  0.0000798600000000 ]  - [  -0.0001582400000000,  0.0000217400000000,  0.0000714700000000 ]  - [  -0.0001582400000000, -0.0000217400000000,  0.0000714700000000 ]  - [   0.0001413700000000,  0.0000000000000000, -0.0000395300000000 ]  - [   0.0001153500000000,  0.0000075300000000, -0.0000267900000000 ]  - [   0.0001153500000000, -0.0000075300000000, -0.0000267900000000 ]  - [   0.0000622600000000,  0.0000000000000000,  0.0001505200000000 ]  - [   0.0000180100000000, -0.0000980300000000,  0.0000819200000000 ]  - [   0.0000180100000000,  0.0000980300000000,  0.0000819200000000 ]  - [   0.0012339500000000,  0.0000000000000000,  0.0003324500000000 ]  - [   0.0000899800000000, -0.0000931900000000,  0.0000312500000000 ]  - [   0.0000899800000000,  0.0000931900000000,  0.0000312500000000 ]  - [   0.0000387400000000,  0.0000000000000000,  0.0003141000000000 ]  - [   0.0000403000000000,  0.0000018700000000,  0.0003100600000000 ]  - [   0.0000403000000000, -0.0000018700000000,  0.0003100600000000 ]  - [  -0.0001365000000000,  0.0000000000000000, -0.0002983700000000 ]  - [  -0.0001129500000000,  0.0000078700000000, -0.0002936600000000 ]  - [  -0.0001129500000000, -0.0000078700000000, -0.0002936600000000 ]  - [   0.0003285400000000,  0.0000000000000000,  0.0004797700000000 ]  - [   0.0000366300000000, -0.0001355200000000, -0.0000281100000000 ]  - [   0.0000366300000000,  0.0001355200000000, -0.0000281100000000 ]  - [  -0.0000485600000000,  0.0000242000000000, -0.0003235100000000 ]  - [  -0.0000485600000000, -0.0000242000000000, -0.0003235100000000 ]  - [  -0.0000288800000000,  0.0000000000000000, -0.0002819100000000 ]  - [   0.0002192200000000,  0.0000354900000000,  0.0003617900000000 ]  - [   0.0002192200000000, -0.0000354900000000,  0.0003617900000000 ]  - [   0.0001772500000000,  0.0000000000000000,  0.0002901400000000 ]  - [  -0.0026918800000000, -0.0023083600000000, -0.0018279600000000 ]  - [  -0.0026918800000000,  0.0023083600000000, -0.0018279600000000 ]  - [  -0.0000892700000000,  0.0000000000000000, -0.0004498900000000 ]  - [  -0.0000293900000000,  0.0000042400000000,  0.0003189500000000 ]  - [  -0.0000293900000000, -0.0000042400000000,  0.0003189500000000 ]  - [  -0.0000195900000000,  0.0000000000000000,  0.0002826500000000 ]  - [   0.0000944200000000,  0.0000356700000000,  0.0000119000000000 ]  - [   0.0000944200000000, -0.0000356700000000,  0.0000119000000000 ]  - [   0.0000442300000000,  0.0000000000000000, -0.0000154800000000 ]  - [   0.0002752200000000, -0.0000446700000000,  0.0001698900000000 ]  - [   0.0002752200000000,  0.0000446700000000,  0.0001698900000000 ]  - [   0.0002355700000000,  0.0000000000000000,  0.0001094200000000 ]  - [  -0.0006197300000000, -0.0001493400000000,  0.0002611000000000 ]  - [  -0.0006197300000000,  0.0001493400000000,  0.0002611000000000 ]  - [  -0.0003825000000000,  0.0000000000000000, -0.0000161800000000 ]  - [  -0.0003338300000000,  0.0001369200000000,  0.0001941600000000 ]  - [  -0.0003338300000000, -0.0001369200000000,  0.0001941600000000 ]  - [  -0.0001177800000000,  0.0000000000000000,  0.0000922900000000 ]  - [   0.0002429600000000, -0.0001269000000000,  0.0007210600000000 ]  - [   0.0002429600000000,  0.0001269000000000,  0.0007210600000000 ]  - [  -0.0000829200000000,  0.0000000000000000,  0.0006847600000000 ]  - [  -0.0005353700000000,  0.0002316600000000, -0.0007181100000000 ]  - [  -0.0005353700000000, -0.0002316600000000, -0.0007181100000000 ]  - [  -0.0004866500000000,  0.0000000000000000, -0.0005978500000000 ]  - [  -0.0058194100000000, -0.0021982200000000,  0.0104053600000000 ]  - [  -0.0058194100000000,  0.0021982200000000,  0.0104053600000000 ]  - [   0.0004795900000000,  0.0000000000000000,  0.0018798900000000 ]  - [   0.0003928100000000, -0.0000528900000000, -0.0008153900000000 ]  - [   0.0003928100000000,  0.0000528900000000, -0.0008153900000000 ]  - [   0.0002645100000000,  0.0000000000000000, -0.0007348700000000 ]  - [   0.0012585800000000,  0.0000000000000000, -0.0007654300000000 ]  - [   0.0004938300000000,  0.0003170800000000, -0.0004334700000000 ]  - [   0.0004938300000000, -0.0003170800000000, -0.0004334700000000 ]  - [   0.0009691800000000,  0.0000000000000000, -0.0017358400000000 ]  - [   0.0007344300000000,  0.0000408700000000, -0.0011875800000000 ]  - [   0.0007344300000000, -0.0000408700000000, -0.0011875800000000 ]  - [  -0.0020822800000000,  0.0000000000000000, -0.0001829500000000 ]  - [  -0.0012489800000000,  0.0000981900000000, -0.0003218700000000 ]  - [  -0.0012489800000000, -0.0000981900000000, -0.0003218700000000 ]  - [  -0.0001361900000000,  0.0000000000000000,  0.0000071500000000 ]  - [  -0.0001246000000000,  0.0000353800000000,  0.0000496200000000 ]  - [  -0.0001246000000000, -0.0000353800000000,  0.0000496200000000 ]  - [  -0.0034600100000000,  0.0000000000000000,  0.0020856200000000 ]  - [  -0.0007772200000000,  0.0008518400000000,  0.0016534200000000 ]  - [  -0.0007772200000000, -0.0008518400000000,  0.0016534200000000 ]  - [  -0.0001518600000000,  0.0000000000000000, -0.0002163400000000 ]  - [  -0.0001865000000000,  0.0000144000000000, -0.0001784700000000 ]  - [  -0.0001865000000000, -0.0000144000000000, -0.0001784700000000 ]  - [   0.0003996800000000,  0.0000000000000000,  0.0002919500000000 ]  - [   0.0003367000000000,  0.0000198600000000,  0.0002036500000000 ]  - [   0.0003367000000000, -0.0000198600000000,  0.0002036500000000 ]  - [  -0.0002670000000000,  0.0000000000000000, -0.0011690000000000 ]  - [  -0.0000340300000000,  0.0002422900000000, -0.0010232400000000 ]  - [  -0.0000340300000000, -0.0002422900000000, -0.0010232400000000 ]  - [  -0.0004445400000000, -0.0002203400000000, -0.0005800500000000 ]  - [  -0.0004445400000000,  0.0002203400000000, -0.0005800500000000 ]  - [  -0.0000247400000000,  0.0000000000000000, -0.0001879300000000 ]  - [  -0.0000714900000000, -0.0000003000000000, -0.0002781400000000 ]  - [  -0.0000714900000000,  0.0000003000000000, -0.0002781400000000 ]  - [  -0.0000478100000000,  0.0000000000000000, -0.0002794500000000 ]  - [   0.0003268600000000,  0.0000269600000000,  0.0002042300000000 ]  - [   0.0003268600000000, -0.0000269600000000,  0.0002042300000000 ]  - [   0.0002053400000000,  0.0000000000000000,  0.0002094700000000 ]  - [  -0.0010287500000000, -0.0010633600000000, -0.0011573500000000 ]  - [  -0.0010287500000000,  0.0010633600000000, -0.0011573500000000 ]  - [  -0.0003781000000000,  0.0000000000000000, -0.0000680800000000 ]- atom:   37  displacement:    [   0.0051027950040762,  0.0000000000000000, -0.0086000862290081 ]  forces:  - [   0.0006872600000000,  0.0000000000000000, -0.0004461800000000 ]  - [   0.0005424200000000,  0.0001846700000000, -0.0004708700000000 ]  - [   0.0005424200000000, -0.0001846700000000, -0.0004708700000000 ]  - [  -0.0002164600000000,  0.0000000000000000, -0.0019429100000000 ]  - [   0.0000774800000000,  0.0000161200000000, -0.0013127600000000 ]  - [   0.0000774800000000, -0.0000161200000000, -0.0013127600000000 ]  - [  -0.0003490200000000,  0.0000000000000000, -0.0087015300000000 ]  - [  -0.0012226800000000, -0.0037597700000000, -0.0012021700000000 ]  - [  -0.0012226800000000,  0.0037597700000000, -0.0012021700000000 ]  - [  -0.0000502200000000,  0.0000000000000000,  0.0001261300000000 ]  - [  -0.0001254200000000,  0.0000754900000000,  0.0002622300000000 ]  - [  -0.0001254200000000, -0.0000754900000000,  0.0002622300000000 ]  - [  -0.0007329300000000, -0.0020222300000000, -0.0012503800000000 ]  - [  -0.0007329300000000,  0.0020222300000000, -0.0012503800000000 ]  - [   0.0001178700000000,  0.0000000000000000, -0.0003515200000000 ]  - [   0.0003858900000000,  0.0000108600000000, -0.0007575200000000 ]  - [   0.0003858900000000, -0.0000108600000000, -0.0007575200000000 ]  - [   0.0003702600000000,  0.0000000000000000, -0.0007364300000000 ]  - [  -0.0002298400000000, -0.0000080400000000,  0.0007441000000000 ]  - [  -0.0002298400000000,  0.0000080400000000,  0.0007441000000000 ]  - [  -0.0002469600000000,  0.0000000000000000,  0.0007165300000000 ]  - [  -0.0008214700000000, -0.0000930800000000, -0.0002429800000000 ]  - [  -0.0008214700000000,  0.0000930800000000, -0.0002429800000000 ]  - [  -0.0004799800000000,  0.0000000000000000,  0.0002840700000000 ]  - [   0.0004070300000000, -0.0001520600000000,  0.0000183000000000 ]  - [   0.0004070300000000,  0.0001520600000000,  0.0000183000000000 ]  - [   0.0000552200000000,  0.0000000000000000,  0.0003065300000000 ]  - [  -0.0000034900000000,  0.0001062300000000, -0.0000328500000000 ]  - [  -0.0000034900000000, -0.0001062300000000, -0.0000328500000000 ]  - [   0.0000287900000000,  0.0000000000000000,  0.0000380800000000 ]  - [  -0.0008425700000000,  0.0003300500000000, -0.0004482200000000 ]  - [  -0.0008425700000000, -0.0003300500000000, -0.0004482200000000 ]  - [  -0.0002690900000000,  0.0000000000000000,  0.0000004800000000 ]  - [   0.0000255000000000, -0.0000180600000000, -0.0003297200000000 ]  - [   0.0000255000000000,  0.0000180600000000, -0.0003297200000000 ]  - [   0.0000213900000000,  0.0000000000000000, -0.0003231900000000 ]  - [  -0.0170431400000000,  0.0000000000000000,  0.0390016700000000 ]  - [  -0.0001934700000000,  0.0004093000000000,  0.0011004500000000 ]  - [  -0.0001934700000000, -0.0004093000000000,  0.0011004500000000 ]  - [   0.0000404300000000,  0.0000000000000000, -0.0003170400000000 ]  - [   0.0000395600000000,  0.0000102000000000, -0.0003019400000000 ]  - [   0.0000395600000000, -0.0000102000000000, -0.0003019400000000 ]  - [   0.0001069500000000,  0.0000000000000000,  0.0003457100000000 ]  - [   0.0000260200000000,  0.0000387300000000,  0.0003271900000000 ]  - [   0.0000260200000000, -0.0000387300000000,  0.0003271900000000 ]  - [  -0.0001834900000000,  0.0000000000000000, -0.0004256700000000 ]  - [  -0.0001647400000000, -0.0000121900000000, -0.0003251500000000 ]  - [  -0.0001647400000000,  0.0000121900000000, -0.0003251500000000 ]  - [  -0.0005021200000000,  0.0000000000000000, -0.0078976600000000 ]  - [   0.0000422800000000,  0.0001951200000000,  0.0000066500000000 ]  - [   0.0000422800000000, -0.0001951200000000,  0.0000066500000000 ]  - [   0.0003317600000000,  0.0000000000000000, -0.0000860300000000 ]  - [   0.0002602000000000, -0.0000218000000000, -0.0000776300000000 ]  - [   0.0002602000000000,  0.0000218000000000, -0.0000776300000000 ]  - [  -0.0002437900000000,  0.0000000000000000,  0.0000450000000000 ]  - [  -0.0002178900000000, -0.0000076100000000,  0.0000324700000000 ]  - [  -0.0002178900000000,  0.0000076100000000,  0.0000324700000000 ]  - [  -0.0001643500000000,  0.0000000000000000, -0.0001431100000000 ]  - [  -0.0001198100000000,  0.0000980500000000, -0.0000754300000000 ]  - [  -0.0001198100000000, -0.0000980500000000, -0.0000754300000000 ]  - [  -0.0012412400000000,  0.0000000000000000,  0.0001464500000000 ]  - [  -0.0000967100000000,  0.0000928000000000,  0.0004461400000000 ]  - [  -0.0000967100000000, -0.0000928000000000,  0.0004461400000000 ]  - [  -0.0000459000000000,  0.0000000000000000,  0.0001615500000000 ]  - [  -0.0000474900000000, -0.0000018100000000,  0.0001657700000000 ]  - [  -0.0000474900000000,  0.0000018100000000,  0.0001657700000000 ]  - [   0.0001443900000000,  0.0000000000000000, -0.0001787800000000 ]  - [   0.0001206800000000, -0.0000080600000000, -0.0001831900000000 ]  - [   0.0001206800000000,  0.0000080600000000, -0.0001831900000000 ]  - [  -0.0003253600000000,  0.0000000000000000, -0.0009616400000000 ]  - [  -0.0000296900000000,  0.0001361400000000, -0.0004478400000000 ]  - [  -0.0000296900000000, -0.0001361400000000, -0.0004478400000000 ]  - [   0.0001385200000000, -0.0000241900000000,  0.0001645500000000 ]  - [   0.0001385200000000,  0.0000241900000000,  0.0001645500000000 ]  - [   0.0001185200000000,  0.0000000000000000,  0.0001225700000000 ]  - [  -0.0001306000000000, -0.0000358400000000, -0.0005211000000000 ]  - [  -0.0001306000000000,  0.0000358400000000, -0.0005211000000000 ]  - [  -0.0000883600000000,  0.0000000000000000, -0.0004491900000000 ]  - [   0.0026055600000000,  0.0023026900000000,  0.0019720500000000 ]  - [   0.0026055600000000, -0.0023026900000000,  0.0019720500000000 ]  - [  -0.0000001200000000,  0.0000000000000000,  0.0006085000000000 ]  - [  -0.0000595600000000, -0.0000043000000000, -0.0001598100000000 ]  - [  -0.0000595600000000,  0.0000043000000000, -0.0001598100000000 ]  - [  -0.0000694600000000,  0.0000000000000000, -0.0001233700000000 ]  - [   0.0000090400000000, -0.0000357400000000, -0.0000172800000000 ]  - [   0.0000090400000000,  0.0000357400000000, -0.0000172800000000 ]  - [   0.0000590900000000,  0.0000000000000000,  0.0000097900000000 ]  - [  -0.0001726600000000,  0.0000448500000000, -0.0001765200000000 ]  - [  -0.0001726600000000, -0.0000448500000000, -0.0001765200000000 ]  - [  -0.0001331900000000,  0.0000000000000000, -0.0001154900000000 ]  - [   0.0005158000000000,  0.0001494200000000, -0.0002563400000000 ]  - [   0.0005158000000000, -0.0001494200000000, -0.0002563400000000 ]  - [   0.0002785900000000,  0.0000000000000000,  0.0000213200000000 ]  - [   0.0002328700000000, -0.0001380500000000, -0.0001888400000000 ]  - [   0.0002328700000000,  0.0001380500000000, -0.0001888400000000 ]  - [   0.0000150000000000,  0.0000000000000000, -0.0000863200000000 ]  - [  -0.0007048200000000,  0.0001276700000000, -0.0001902900000000 ]  - [  -0.0007048200000000, -0.0001276700000000, -0.0001902900000000 ]  - [  -0.0003766300000000,  0.0000000000000000, -0.0001535400000000 ]  - [   0.0000756300000000, -0.0002308400000000,  0.0012495700000000 ]  - [   0.0000756300000000,  0.0002308400000000,  0.0012495700000000 ]  - [   0.0000271800000000,  0.0000000000000000,  0.0011290700000000 ]  - [   0.0061512200000000,  0.0018468500000000, -0.0105651400000000 ]  - [   0.0061512200000000, -0.0018468500000000, -0.0105651400000000 ]  - [  -0.0000187100000000,  0.0000000000000000, -0.0023975800000000 ]  - [   0.0000649500000000,  0.0000534600000000,  0.0002838600000000 ]  - [   0.0000649500000000, -0.0000534600000000,  0.0002838600000000 ]  - [   0.0001943800000000,  0.0000000000000000,  0.0002026200000000 ]  - [  -0.0009504700000000,  0.0000000000000000,  0.0003607700000000 ]  - [  -0.0001807900000000, -0.0003191700000000,  0.0000273900000000 ]  - [  -0.0001807900000000,  0.0003191700000000,  0.0000273900000000 ]  - [  -0.0006528000000000,  0.0000000000000000,  0.0013289100000000 ]  - [  -0.0004179500000000, -0.0000384900000000,  0.0007786600000000 ]  - [  -0.0004179500000000,  0.0000384900000000,  0.0007786600000000 ]  - [   0.0017635200000000,  0.0000000000000000,  0.0006015400000000 ]  - [   0.0009306300000000, -0.0000944700000000,  0.0007294900000000 ]  - [   0.0009306300000000,  0.0000944700000000,  0.0007294900000000 ]  - [  -0.0001789600000000,  0.0000000000000000,  0.0004005400000000 ]  - [  -0.0001901200000000, -0.0000354700000000,  0.0003576700000000 ]  - [  -0.0001901200000000,  0.0000354700000000,  0.0003576700000000 ]  - [   0.0030661000000000,  0.0000000000000000, -0.0015580600000000 ]  - [   0.0003207200000000, -0.0008464800000000, -0.0011293500000000 ]  - [   0.0003207200000000,  0.0008464800000000, -0.0011293500000000 ]  - [  -0.0003063500000000,  0.0000000000000000,  0.0007494500000000 ]  - [  -0.0002718400000000, -0.0000146400000000,  0.0007117000000000 ]  - [  -0.0002718400000000,  0.0000146400000000,  0.0007117000000000 ]  - [   0.0000578900000000,  0.0000000000000000, -0.0008244600000000 ]  - [   0.0001215300000000, -0.0000194800000000, -0.0007360800000000 ]  - [   0.0001215300000000,  0.0000194800000000, -0.0007360800000000 ]  - [   0.0007284900000000,  0.0000000000000000,  0.0006360000000000 ]  - [   0.0004924100000000, -0.0002431700000000,  0.0004898900000000 ]  - [   0.0004924100000000,  0.0002431700000000,  0.0004898900000000 ]  - [   0.0007552800000000,  0.0002203000000000,  0.0001677800000000 ]  - [   0.0007552800000000, -0.0002203000000000,  0.0001677800000000 ]  - [   0.0003366100000000,  0.0000000000000000, -0.0002219200000000 ]  - [   0.0003851800000000,  0.0000003300000000, -0.0001281900000000 ]  - [   0.0003851800000000, -0.0000003300000000, -0.0001281900000000 ]  - [   0.0003611200000000,  0.0000000000000000, -0.0001272100000000 ]  - [  -0.0006405900000000, -0.0000270300000000,  0.0002047600000000 ]  - [  -0.0006405900000000,  0.0000270300000000,  0.0002047600000000 ]  - [  -0.0005189600000000,  0.0000000000000000,  0.0001988800000000 ]  - [   0.0007293200000000,  0.0010745600000000,  0.0015634400000000 ]  - [   0.0007293200000000, -0.0010745600000000,  0.0015634400000000 ]  - [   0.0000671500000000,  0.0000000000000000,  0.0004736400000000 ]- atom:   49  displacement:    [   0.0099998977798981,  0.0000000000000000,  0.0000452149487271 ]  forces:  - [   0.0026982700000000,  0.0000000000000000,  0.0003811400000000 ]  - [   0.0011066700000000,  0.0005400700000000, -0.0006337400000000 ]  - [   0.0011066700000000, -0.0005400700000000, -0.0006337400000000 ]  - [   0.0003025100000000,  0.0000000000000000, -0.0003797800000000 ]  - [   0.0003050400000000, -0.0000118000000000, -0.0004110100000000 ]  - [   0.0003050400000000,  0.0000118000000000, -0.0004110100000000 ]  - [  -0.0004070900000000,  0.0000000000000000,  0.0005196700000000 ]  - [  -0.0003832200000000,  0.0000317300000000,  0.0004257000000000 ]  - [  -0.0003832200000000, -0.0000317300000000,  0.0004257000000000 ]  - [   0.0012802600000000,  0.0000000000000000, -0.0010919300000000 ]  - [   0.0005283800000000,  0.0006646900000000,  0.0003739900000000 ]  - [   0.0005283800000000, -0.0006646900000000,  0.0003739900000000 ]  - [   0.0066441100000000,  0.0084606200000000, -0.0011328100000000 ]  - [   0.0066441100000000, -0.0084606200000000, -0.0011328100000000 ]  - [  -0.0000188100000000,  0.0000000000000000, -0.0000503000000000 ]  - [   0.0003002900000000, -0.0000357700000000, -0.0007492100000000 ]  - [   0.0003002900000000,  0.0000357700000000, -0.0007492100000000 ]  - [   0.0002930400000000,  0.0000000000000000, -0.0006945700000000 ]  - [  -0.0002358700000000, -0.0000184900000000,  0.0006418700000000 ]  - [  -0.0002358700000000,  0.0000184900000000,  0.0006418700000000 ]  - [  -0.0002370700000000,  0.0000000000000000,  0.0006338700000000 ]  - [   0.0007319400000000, -0.0002700700000000,  0.0018082300000000 ]  - [   0.0007319400000000,  0.0002700700000000,  0.0018082300000000 ]  - [  -0.0003667500000000,  0.0000000000000000,  0.0006383600000000 ]  - [   0.0027928700000000, -0.0020251600000000,  0.0012628600000000 ]  - [   0.0027928700000000,  0.0020251600000000,  0.0012628600000000 ]  - [  -0.0001110000000000,  0.0000000000000000,  0.0003343000000000 ]  - [   0.0000650600000000,  0.0000003800000000,  0.0002250500000000 ]  - [   0.0000650600000000, -0.0000003800000000,  0.0002250500000000 ]  - [   0.0000623700000000,  0.0000000000000000,  0.0002258800000000 ]  - [  -0.0001122300000000, -0.0000069500000000, -0.0001992900000000 ]  - [  -0.0001122300000000,  0.0000069500000000, -0.0001992900000000 ]  - [  -0.0000878800000000,  0.0000000000000000, -0.0002273000000000 ]  - [   0.0003505700000000, -0.0000829400000000, -0.0002683700000000 ]  - [   0.0003505700000000,  0.0000829400000000, -0.0002683700000000 ]  - [   0.0002525500000000,  0.0000000000000000, -0.0002830200000000 ]  - [  -0.0011838500000000,  0.0000000000000000, -0.0001575800000000 ]  - [  -0.0003238300000000,  0.0000567400000000, -0.0002900700000000 ]  - [  -0.0003238300000000, -0.0000567400000000, -0.0002900700000000 ]  - [   0.0000171700000000,  0.0000000000000000, -0.0004243600000000 ]  - [   0.0000385600000000,  0.0000686900000000, -0.0003277400000000 ]  - [   0.0000385600000000, -0.0000686900000000, -0.0003277400000000 ]  - [   0.0001778100000000,  0.0000000000000000,  0.0004373100000000 ]  - [   0.0001263300000000,  0.0001124200000000,  0.0003764300000000 ]  - [   0.0001263300000000, -0.0001124200000000,  0.0003764300000000 ]  - [   0.0001128400000000,  0.0000000000000000,  0.0003067400000000 ]  - [   0.0000897900000000, -0.0000077400000000,  0.0002404400000000 ]  - [   0.0000897900000000,  0.0000077400000000,  0.0002404400000000 ]  - [  -0.0471801800000000,  0.0000000000000000, -0.0063374500000000 ]  - [  -0.0011321300000000,  0.0002135300000000, -0.0002372800000000 ]  - [  -0.0011321300000000, -0.0002135300000000, -0.0002372800000000 ]  - [   0.0001433300000000,  0.0000000000000000, -0.0000828500000000 ]  - [   0.0001397000000000,  0.0000019100000000, -0.0000656900000000 ]  - [   0.0001397000000000, -0.0000019100000000, -0.0000656900000000 ]  - [  -0.0001140600000000,  0.0000000000000000,  0.0000714200000000 ]  - [  -0.0001171700000000,  0.0000026700000000,  0.0000585500000000 ]  - [  -0.0001171700000000, -0.0000026700000000,  0.0000585500000000 ]  - [   0.0007585400000000,  0.0000000000000000,  0.0002800500000000 ]  - [   0.0004229000000000, -0.0001528300000000,  0.0001115100000000 ]  - [   0.0004229000000000,  0.0001528300000000,  0.0001115100000000 ]  - [   0.0013565300000000,  0.0000000000000000,  0.0008063300000000 ]  - [   0.0004521000000000, -0.0003683900000000,  0.0001673400000000 ]  - [   0.0004521000000000,  0.0003683900000000,  0.0001673400000000 ]  - [  -0.0000892100000000,  0.0000000000000000,  0.0002316500000000 ]  - [  -0.0000792100000000,  0.0000078200000000,  0.0002391100000000 ]  - [  -0.0000792100000000, -0.0000078200000000,  0.0002391100000000 ]  - [   0.0001149900000000,  0.0000000000000000, -0.0002727900000000 ]  - [   0.0001030400000000,  0.0000039700000000, -0.0002677300000000 ]  - [   0.0001030400000000, -0.0000039700000000, -0.0002677300000000 ]  - [  -0.0011687500000000,  0.0000000000000000,  0.0020566000000000 ]  - [  -0.0004479700000000, -0.0005635100000000,  0.0003815800000000 ]  - [  -0.0004479700000000,  0.0005635100000000,  0.0003815800000000 ]  - [   0.0002964900000000, -0.0000173000000000,  0.0001198700000000 ]  - [   0.0002964900000000,  0.0000173000000000,  0.0001198700000000 ]  - [   0.0002374000000000,  0.0000000000000000,  0.0000257600000000 ]  - [   0.0001143100000000,  0.0000608900000000,  0.0002239000000000 ]  - [   0.0001143100000000, -0.0000608900000000,  0.0002239000000000 ]  - [   0.0000979700000000,  0.0000000000000000,  0.0001678100000000 ]  - [  -0.0003300500000000,  0.0004135700000000, -0.0007487200000000 ]  - [  -0.0003300500000000, -0.0004135700000000, -0.0007487200000000 ]  - [  -0.0001079100000000,  0.0000000000000000, -0.0003429200000000 ]  - [  -0.0001605200000000,  0.0000003300000000, -0.0003184700000000 ]  - [  -0.0001605200000000, -0.0000003300000000, -0.0003184700000000 ]  - [  -0.0001712400000000,  0.0000000000000000, -0.0000722200000000 ]  - [   0.0007221900000000, -0.0000751400000000, -0.0000321000000000 ]  - [   0.0007221900000000,  0.0000751400000000, -0.0000321000000000 ]  - [   0.0005745600000000,  0.0000000000000000,  0.0000003000000000 ]  - [  -0.0000291700000000, -0.0000027400000000,  0.0000669900000000 ]  - [  -0.0000291700000000,  0.0000027400000000,  0.0000669900000000 ]  - [  -0.0000285000000000,  0.0000000000000000,  0.0000514500000000 ]  - [   0.0000020600000000, -0.0000047000000000, -0.0001006800000000 ]  - [   0.0000020600000000,  0.0000047000000000, -0.0001006800000000 ]  - [   0.0000089100000000,  0.0000000000000000, -0.0000710900000000 ]  - [   0.0026699100000000, -0.0029550900000000, -0.0030366500000000 ]  - [   0.0026699100000000,  0.0029550900000000, -0.0030366500000000 ]  - [  -0.0004395000000000,  0.0000000000000000, -0.0000620500000000 ]  - [  -0.0017223600000000,  0.0004830800000000, -0.0002775900000000 ]  - [  -0.0017223600000000, -0.0004830800000000, -0.0002775900000000 ]  - [  -0.0006501900000000,  0.0000000000000000, -0.0000692300000000 ]  - [  -0.0003722000000000, -0.0000217500000000, -0.0000679200000000 ]  - [  -0.0003722000000000,  0.0000217500000000, -0.0000679200000000 ]  - [  -0.0003512200000000,  0.0000000000000000, -0.0000194900000000 ]  - [   0.0007221800000000,  0.0002259100000000,  0.0000662600000000 ]  - [   0.0007221800000000, -0.0002259100000000,  0.0000662600000000 ]  - [   0.0005244600000000,  0.0000000000000000,  0.0000872700000000 ]  - [  -0.0007394500000000,  0.0003656700000000,  0.0008590500000000 ]  - [  -0.0007394500000000, -0.0003656700000000,  0.0008590500000000 ]  - [   0.0002981900000000,  0.0000000000000000,  0.0002687900000000 ]  - [  -0.0071068100000000,  0.0000000000000000,  0.0010054100000000 ]  - [  -0.0001701800000000, -0.0013364200000000, -0.0001912500000000 ]  - [  -0.0001701800000000,  0.0013364200000000, -0.0001912500000000 ]  - [   0.0000518600000000,  0.0000000000000000, -0.0001233700000000 ]  - [   0.0000411300000000,  0.0000112200000000, -0.0001183600000000 ]  - [   0.0000411300000000, -0.0000112200000000, -0.0001183600000000 ]  - [   0.0000311100000000,  0.0000000000000000,  0.0000714500000000 ]  - [   0.0000340400000000, -0.0000165000000000,  0.0001023400000000 ]  - [   0.0000340400000000,  0.0000165000000000,  0.0001023400000000 ]  - [  -0.0014574900000000,  0.0000000000000000,  0.0002772800000000 ]  - [  -0.0011710000000000, -0.0000876500000000,  0.0002078700000000 ]  - [  -0.0011710000000000,  0.0000876500000000,  0.0002078700000000 ]  - [   0.0097139600000000,  0.0000000000000000, -0.0012735800000000 ]  - [   0.0010178400000000,  0.0016423200000000,  0.0013645600000000 ]  - [   0.0010178400000000, -0.0016423200000000,  0.0013645600000000 ]  - [  -0.0001175800000000,  0.0000000000000000,  0.0007237600000000 ]  - [  -0.0001398200000000, -0.0001086600000000,  0.0006134800000000 ]  - [  -0.0001398200000000,  0.0001086600000000,  0.0006134800000000 ]  - [  -0.0000823100000000,  0.0000000000000000, -0.0006285400000000 ]  - [  -0.0000167800000000, -0.0000261900000000, -0.0005574200000000 ]  - [  -0.0000167800000000,  0.0000261900000000, -0.0005574200000000 ]  - [  -0.0002128800000000,  0.0000000000000000, -0.0012078200000000 ]  - [  -0.0000422000000000,  0.0004622500000000, -0.0007799800000000 ]  - [  -0.0000422000000000, -0.0004622500000000, -0.0007799800000000 ]  - [  -0.0021588200000000,  0.0000561300000000, -0.0015753300000000 ]  - [  -0.0021588200000000, -0.0000561300000000, -0.0015753300000000 ]  - [  -0.0005652900000000,  0.0000000000000000, -0.0006184000000000 ]  - [   0.0003112400000000,  0.0000077500000000, -0.0002539000000000 ]  - [   0.0003112400000000, -0.0000077500000000, -0.0002539000000000 ]  - [   0.0002976500000000,  0.0000000000000000, -0.0002546500000000 ]  - [  -0.0003722400000000,  0.0000001900000000,  0.0003351100000000 ]  - [  -0.0003722400000000, -0.0000001900000000,  0.0003351100000000 ]  - [  -0.0003532600000000,  0.0000000000000000,  0.0003178600000000 ]  - [   0.0111932900000000,  0.0082151700000000,  0.0045662000000000 ]  - [   0.0111932900000000, -0.0082151700000000,  0.0045662000000000 ]  - [   0.0010712900000000,  0.0000000000000000,  0.0004309700000000 ]- atom:   49  displacement:    [  -0.0099998977798981,  0.0000000000000000, -0.0000452149487271 ]  forces:  - [  -0.0020512600000000,  0.0000000000000000, -0.0014408700000000 ]  - [  -0.0004894800000000, -0.0005324600000000, -0.0004481600000000 ]  - [  -0.0004894800000000,  0.0005324600000000, -0.0004481600000000 ]  - [   0.0003078800000000,  0.0000000000000000, -0.0006977200000000 ]  - [   0.0003057200000000,  0.0000113800000000, -0.0006663200000000 ]  - [   0.0003057200000000, -0.0000113800000000, -0.0006663200000000 ]  - [  -0.0002025700000000,  0.0000000000000000,  0.0005539600000000 ]  - [  -0.0002274500000000, -0.0000333200000000,  0.0006516500000000 ]  - [  -0.0002274500000000,  0.0000333200000000,  0.0006516500000000 ]  - [  -0.0018715700000000,  0.0000000000000000,  0.0021384300000000 ]  - [  -0.0011332500000000, -0.0006590300000000,  0.0007027600000000 ]  - [  -0.0011332500000000,  0.0006590300000000,  0.0007027600000000 ]  - [  -0.0060568600000000, -0.0085278600000000,  0.0000548900000000 ]  - [  -0.0060568600000000,  0.0085278600000000,  0.0000548900000000 ]  - [   0.0006293500000000,  0.0000000000000000, -0.0010273900000000 ]  - [   0.0003095500000000,  0.0000355500000000, -0.0003309300000000 ]  - [   0.0003095500000000, -0.0000355500000000, -0.0003309300000000 ]  - [   0.0003168000000000,  0.0000000000000000, -0.0003852900000000 ]  - [  -0.0003742100000000,  0.0000183500000000,  0.0004391800000000 ]  - [  -0.0003742100000000, -0.0000183500000000,  0.0004391800000000 ]  - [  -0.0003730100000000,  0.0000000000000000,  0.0004469300000000 ]  - [  -0.0013127900000000,  0.0002758100000000, -0.0007153400000000 ]  - [  -0.0013127900000000, -0.0002758100000000, -0.0007153400000000 ]  - [  -0.0002438700000000,  0.0000000000000000,  0.0004378700000000 ]  - [  -0.0027489600000000,  0.0019808600000000, -0.0007627300000000 ]  - [  -0.0027489600000000, -0.0019808600000000, -0.0007627300000000 ]  - [   0.0001018100000000,  0.0000000000000000,  0.0001425700000000 ]  - [  -0.0000713300000000, -0.0000001700000000,  0.0002512900000000 ]  - [  -0.0000713300000000,  0.0000001700000000,  0.0002512900000000 ]  - [  -0.0000688600000000,  0.0000000000000000,  0.0002502700000000 ]  - [   0.0001185400000000,  0.0000071600000000, -0.0002774800000000 ]  - [   0.0001185400000000, -0.0000071600000000, -0.0002774800000000 ]  - [   0.0000941300000000,  0.0000000000000000, -0.0002488000000000 ]  - [  -0.0003402200000000,  0.0000815200000000, -0.0002089600000000 ]  - [  -0.0003402200000000, -0.0000815200000000, -0.0002089600000000 ]  - [  -0.0002431200000000,  0.0000000000000000, -0.0001940900000000 ]  - [   0.0012756800000000,  0.0000000000000000, -0.0000475700000000 ]  - [   0.0004119200000000, -0.0000575200000000,  0.0001291900000000 ]  - [   0.0004119200000000,  0.0000575200000000,  0.0001291900000000 ]  - [   0.0000715200000000,  0.0000000000000000,  0.0002609100000000 ]  - [   0.0000505000000000, -0.0000680600000000,  0.0001658900000000 ]  - [   0.0000505000000000,  0.0000680600000000,  0.0001658900000000 ]  - [  -0.0002652100000000,  0.0000000000000000, -0.0002735100000000 ]  - [  -0.0002138900000000, -0.0001108700000000, -0.0002136700000000 ]  - [  -0.0002138900000000,  0.0001108700000000, -0.0002136700000000 ]  - [  -0.0001995500000000,  0.0000000000000000, -0.0001447600000000 ]  - [  -0.0001772100000000,  0.0000074600000000, -0.0000796400000000 ]  - [  -0.0001772100000000, -0.0000074600000000, -0.0000796400000000 ]  - [   0.0479124300000000,  0.0000000000000000,  0.0062715200000000 ]  - [   0.0012291300000000, -0.0002211400000000,  0.0002318600000000 ]  - [   0.0012291300000000,  0.0002211400000000,  0.0002318600000000 ]  - [  -0.0000400600000000,  0.0000000000000000,  0.0000761900000000 ]  - [  -0.0000365100000000, -0.0000019000000000,  0.0000591600000000 ]  - [  -0.0000365100000000,  0.0000019000000000,  0.0000591600000000 ]  - [   0.0000107200000000,  0.0000000000000000, -0.0000645600000000 ]  - [   0.0000135800000000, -0.0000027000000000, -0.0000517200000000 ]  - [   0.0000135800000000,  0.0000027000000000, -0.0000517200000000 ]  - [  -0.0008559000000000,  0.0000000000000000, -0.0002776300000000 ]  - [  -0.0005195400000000,  0.0001506800000000, -0.0001059300000000 ]  - [  -0.0005195400000000, -0.0001506800000000, -0.0001059300000000 ]  - [  -0.0013646600000000,  0.0000000000000000, -0.0003371400000000 ]  - [  -0.0004570700000000,  0.0003659400000000,  0.0003080000000000 ]  - [  -0.0004570700000000, -0.0003659400000000,  0.0003080000000000 ]  - [   0.0000806100000000,  0.0000000000000000,  0.0002447700000000 ]  - [   0.0000709200000000, -0.0000077100000000,  0.0002372100000000 ]  - [   0.0000709200000000,  0.0000077100000000,  0.0002372100000000 ]  - [  -0.0001068400000000,  0.0000000000000000, -0.0002033900000000 ]  - [  -0.0000949000000000, -0.0000039900000000, -0.0002085600000000 ]  - [  -0.0000949000000000,  0.0000039900000000, -0.0002085600000000 ]  - [   0.0012053500000000,  0.0000000000000000, -0.0024943800000000 ]  - [   0.0004555300000000,  0.0005620400000000, -0.0008598600000000 ]  - [   0.0004555300000000, -0.0005620400000000, -0.0008598600000000 ]  - [  -0.0002047800000000,  0.0000170400000000, -0.0002763500000000 ]  - [  -0.0002047800000000, -0.0000170400000000, -0.0002763500000000 ]  - [  -0.0001463500000000,  0.0000000000000000, -0.0001838500000000 ]  - [  -0.0000232600000000, -0.0000588200000000, -0.0003790900000000 ]  - [  -0.0000232600000000,  0.0000588200000000, -0.0003790900000000 ]  - [  -0.0000089700000000,  0.0000000000000000, -0.0003245600000000 ]  - [   0.0002432700000000, -0.0004169700000000,  0.0009084600000000 ]  - [   0.0002432700000000,  0.0004169700000000,  0.0009084600000000 ]  - [   0.0000184600000000,  0.0000000000000000,  0.0005002800000000 ]  - [   0.0000697600000000, -0.0000001300000000,  0.0004741800000000 ]  - [   0.0000697600000000,  0.0000001300000000,  0.0004741800000000 ]  - [   0.0000808800000000,  0.0000000000000000,  0.0002299400000000 ]  - [  -0.0006130700000000,  0.0000736300000000,  0.0000251800000000 ]  - [  -0.0006130700000000, -0.0000736300000000,  0.0000251800000000 ]  - [  -0.0004673500000000,  0.0000000000000000, -0.0000068100000000 ]  - [   0.0001304700000000,  0.0000026800000000, -0.0000725100000000 ]  - [   0.0001304700000000, -0.0000026800000000, -0.0000725100000000 ]  - [   0.0001296100000000,  0.0000000000000000, -0.0000570800000000 ]  - [  -0.0001029700000000,  0.0000049500000000,  0.0001062100000000 ]  - [  -0.0001029700000000, -0.0000049500000000,  0.0001062100000000 ]  - [  -0.0001101300000000,  0.0000000000000000,  0.0000767900000000 ]  - [  -0.0027536700000000,  0.0029131500000000,  0.0030011000000000 ]  - [  -0.0027536700000000, -0.0029131500000000,  0.0030011000000000 ]  - [   0.0003324800000000,  0.0000000000000000,  0.0000679300000000 ]  - [   0.0012483900000000, -0.0004749500000000,  0.0008040700000000 ]  - [   0.0012483900000000,  0.0004749500000000,  0.0008040700000000 ]  - [   0.0001873900000000,  0.0000000000000000,  0.0005996900000000 ]  - [  -0.0000900600000000,  0.0000210500000000,  0.0005971000000000 ]  - [  -0.0000900600000000, -0.0000210500000000,  0.0005971000000000 ]  - [  -0.0001091500000000,  0.0000000000000000,  0.0005498100000000 ]  - [  -0.0002653400000000, -0.0002327800000000, -0.0005942900000000 ]  - [  -0.0002653400000000,  0.0002327800000000, -0.0005942900000000 ]  - [  -0.0000647100000000,  0.0000000000000000, -0.0006181100000000 ]  - [   0.0011939000000000, -0.0003583500000000, -0.0013824900000000 ]  - [   0.0011939000000000,  0.0003583500000000, -0.0013824900000000 ]  - [   0.0001617100000000,  0.0000000000000000, -0.0007979300000000 ]  - [   0.0074199100000000,  0.0000000000000000, -0.0014120600000000 ]  - [   0.0004843900000000,  0.0013239800000000, -0.0002105800000000 ]  - [   0.0004843900000000, -0.0013239800000000, -0.0002105800000000 ]  - [   0.0002579500000000,  0.0000000000000000, -0.0002824000000000 ]  - [   0.0002687000000000, -0.0000112800000000, -0.0002886400000000 ]  - [   0.0002687000000000,  0.0000112800000000, -0.0002886400000000 ]  - [  -0.0003401400000000,  0.0000000000000000,  0.0003348500000000 ]  - [  -0.0003447300000000,  0.0000171400000000,  0.0003027400000000 ]  - [  -0.0003447300000000, -0.0000171400000000,  0.0003027400000000 ]  - [   0.0011338600000000,  0.0000000000000000,  0.0001333300000000 ]  - [   0.0008496500000000,  0.0000856300000000,  0.0002014000000000 ]  - [   0.0008496500000000, -0.0000856300000000,  0.0002014000000000 ]  - [  -0.0107762000000000,  0.0000000000000000,  0.0022444000000000 ]  - [  -0.0014770000000000, -0.0016280800000000, -0.0008229900000000 ]  - [  -0.0014770000000000,  0.0016280800000000, -0.0008229900000000 ]  - [  -0.0003386800000000,  0.0000000000000000, -0.0001865400000000 ]  - [  -0.0003175400000000,  0.0001081300000000, -0.0000771100000000 ]  - [  -0.0003175400000000, -0.0001081300000000, -0.0000771100000000 ]  - [   0.0005391700000000,  0.0000000000000000,  0.0000900700000000 ]  - [   0.0004743500000000,  0.0000259900000000,  0.0000197500000000 ]  - [   0.0004743500000000, -0.0000259900000000,  0.0000197500000000 ]  - [   0.0006546400000000,  0.0000000000000000,  0.0006677000000000 ]  - [   0.0005004000000000, -0.0004522600000000,  0.0002434500000000 ]  - [   0.0005004000000000,  0.0004522600000000,  0.0002434500000000 ]  - [   0.0024524400000000, -0.0000599400000000,  0.0011753600000000 ]  - [   0.0024524400000000,  0.0000599400000000,  0.0011753600000000 ]  - [   0.0008716900000000,  0.0000000000000000,  0.0002132100000000 ]  - [   0.0000037900000000, -0.0000079000000000, -0.0001544400000000 ]  - [   0.0000037900000000,  0.0000079000000000, -0.0001544400000000 ]  - [   0.0000168900000000,  0.0000000000000000, -0.0001535600000000 ]  - [   0.0000577600000000, -0.0000000600000000,  0.0000714300000000 ]  - [   0.0000577600000000,  0.0000000600000000,  0.0000714300000000 ]  - [   0.0000386800000000,  0.0000000000000000,  0.0000885600000000 ]  - [  -0.0116076000000000, -0.0084697100000000, -0.0043413000000000 ]  - [  -0.0116076000000000,  0.0084697100000000, -0.0043413000000000 ]  - [  -0.0013793900000000,  0.0000000000000000, -0.0000248000000000 ]- atom:   49  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0003031500000000, -0.0003069700000000, -0.0005389300000000 ]  - [   0.0005362600000000,  0.0001783000000000, -0.0004281400000000 ]  - [   0.0000728500000000,  0.0001791800000000, -0.0006495700000000 ]  - [   0.0003049000000000, -0.0000706900000000, -0.0005406000000000 ]  - [   0.0003119400000000,  0.0000365700000000, -0.0005615800000000 ]  - [   0.0002981100000000,  0.0000367800000000, -0.0005190200000000 ]  - [  -0.0003049100000000, -0.0001031400000000,  0.0005366700000000 ]  - [  -0.0003198700000000,  0.0000280000000000,  0.0005848900000000 ]  - [  -0.0002905400000000,  0.0000297500000000,  0.0004920200000000 ]  - [  -0.0003061800000000, -0.0006162200000000,  0.0005406400000000 ]  - [   0.0000665200000000,  0.0004117700000000,  0.0004241600000000 ]  - [  -0.0006768700000000,  0.0004123500000000,  0.0006549600000000 ]  - [   0.0077694300000000,  0.0032083400000000, -0.0029064500000000 ]  - [  -0.0072063200000000,  0.0031989100000000,  0.0018498200000000 ]  - [   0.0003036600000000,  0.0015983500000000, -0.0005369000000000 ]  - [   0.0002955700000000, -0.0000295700000000, -0.0005077800000000 ]  - [   0.0003145100000000, -0.0000298200000000, -0.0005712100000000 ]  - [   0.0003050800000000,  0.0000594600000000, -0.0005395100000000 ]  - [  -0.0003013300000000, -0.0000182900000000,  0.0005374800000000 ]  - [  -0.0003088200000000, -0.0000184700000000,  0.0005409800000000 ]  - [  -0.0003051000000000,  0.0000368700000000,  0.0005392500000000 ]  - [   0.0043656900000000, -0.0015859700000000,  0.0034973300000000 ]  - [  -0.0050176100000000, -0.0015952800000000, -0.0024338800000000 ]  - [  -0.0003066700000000,  0.0010820900000000,  0.0005394200000000 ]  - [  -0.0014648100000000,  0.0005693800000000, -0.0002363900000000 ]  - [   0.0014708100000000,  0.0005741300000000,  0.0007190200000000 ]  - [  -0.0000031500000000,  0.0001897200000000,  0.0002379700000000 ]  - [   0.0000010600000000, -0.0000096600000000,  0.0002454200000000 ]  - [  -0.0000080100000000, -0.0000098500000000,  0.0002295900000000 ]  - [  -0.0000034500000000,  0.0000189700000000,  0.0002375000000000 ]  - [   0.0000014400000000, -0.0000160600000000, -0.0002532900000000 ]  - [   0.0000051100000000, -0.0000163200000000, -0.0002233500000000 ]  - [   0.0000033700000000,  0.0000259300000000, -0.0002380400000000 ]  - [  -0.0000415400000000, -0.0000514500000000, -0.0002624800000000 ]  - [   0.0000478900000000, -0.0000515500000000, -0.0002130200000000 ]  - [   0.0000031600000000,  0.0001074000000000, -0.0002377900000000 ]  - [   0.0000463900000000, -0.0009905700000000, -0.0000950300000000 ]  - [   0.0000996600000000,  0.0000415300000000,  0.0001798000000000 ]  - [  -0.0000102800000000,  0.0000428000000000, -0.0003387700000000 ]  - [   0.0000444400000000, -0.0000932100000000, -0.0000799500000000 ]  - [   0.0000406900000000,  0.0000471100000000, -0.0001074600000000 ]  - [   0.0000482200000000,  0.0000472400000000, -0.0000523600000000 ]  - [  -0.0000447800000000, -0.0000709100000000,  0.0000797700000000 ]  - [  -0.0000098800000000,  0.0000428600000000,  0.0001092400000000 ]  - [  -0.0000793200000000,  0.0000430500000000,  0.0000504300000000 ]  - [  -0.0000446400000000, -0.0000641800000000,  0.0000789500000000 ]  - [  -0.0001051000000000,  0.0000263100000000, -0.0000709600000000 ]  - [   0.0000155500000000,  0.0000263900000000,  0.0002287300000000 ]  - [   0.0004369400000000, -0.0471243400000000,  0.0004553300000000 ]  - [  -0.0001693600000000,  0.0017382500000000, -0.0000703200000000 ]  - [   0.0002646500000000,  0.0016980400000000,  0.0000584800000000 ]  - [   0.0000510300000000, -0.0000098700000000, -0.0000031800000000 ]  - [   0.0000490600000000,  0.0000051000000000, -0.0000073900000000 ]  - [   0.0000528800000000,  0.0000057900000000,  0.0000010100000000 ]  - [  -0.0000510100000000, -0.0000093300000000,  0.0000028600000000 ]  - [  -0.0000484400000000,  0.0000046800000000,  0.0000045500000000 ]  - [  -0.0000536200000000,  0.0000047500000000,  0.0000012700000000 ]  - [  -0.0000519300000000, -0.0010465900000000,  0.0000040500000000 ]  - [  -0.0002031700000000,  0.0003325600000000,  0.0000081100000000 ]  - [   0.0001003500000000,  0.0003315700000000, -0.0000011600000000 ]  - [  -0.0000001500000000, -0.0006276900000000,  0.0002405800000000 ]  - [  -0.0002613700000000,  0.0004466200000000,  0.0002900000000000 ]  - [   0.0002547600000000,  0.0004466300000000,  0.0001865400000000 ]  - [  -0.0000034200000000, -0.0000168100000000,  0.0002377500000000 ]  - [   0.0000030200000000,  0.0000084800000000,  0.0002189300000000 ]  - [  -0.0000097300000000,  0.0000085100000000,  0.0002563600000000 ]  - [   0.0000034900000000, -0.0000120100000000, -0.0002379700000000 ]  - [  -0.0000008200000000,  0.0000061200000000, -0.0002284200000000 ]  - [   0.0000077900000000,  0.0000062200000000, -0.0002474200000000 ]  - [   0.0000131900000000, -0.0018696600000000, -0.0002175800000000 ]  - [   0.0000620100000000,  0.0009345200000000, -0.0010092300000000 ]  - [  -0.0000538700000000,  0.0009312800000000,  0.0005301900000000 ]  - [   0.0000362500000000, -0.0000128500000000, -0.0001260900000000 ]  - [   0.0000525900000000, -0.0000126900000000, -0.0000333800000000 ]  - [   0.0000444700000000,  0.0000296200000000, -0.0000797000000000 ]  - [   0.0000928800000000, -0.0001601900000000, -0.0000000400000000 ]  - [  -0.0000031700000000, -0.0001608900000000, -0.0001609700000000 ]  - [   0.0000442100000000,  0.0002432000000000, -0.0000806200000000 ]  - [  -0.0000983900000000, -0.0001111900000000, -0.0001268500000000 ]  - [   0.0000096200000000, -0.0001152400000000,  0.0002848000000000 ]  - [  -0.0000440700000000,  0.0003014000000000,  0.0000802800000000 ]  - [  -0.0000678400000000, -0.0000350200000000,  0.0002259200000000 ]  - [  -0.0000213900000000, -0.0000352000000000, -0.0000663200000000 ]  - [  -0.0000443900000000,  0.0000503700000000,  0.0000795200000000 ]  - [   0.0001247700000000, -0.0000517800000000,  0.0000136100000000 ]  - [  -0.0000240200000000, -0.0000518300000000, -0.0000191200000000 ]  - [   0.0000504900000000,  0.0001098000000000, -0.0000029400000000 ]  - [   0.0000535200000000, -0.0000040000000000,  0.0000126200000000 ]  - [   0.0000481800000000, -0.0000039800000000, -0.0000194400000000 ]  - [   0.0000508100000000,  0.0000106800000000, -0.0000033800000000 ]  - [  -0.0000555100000000, -0.0000058800000000, -0.0000241700000000 ]  - [  -0.0000461500000000, -0.0000061300000000,  0.0000296900000000 ]  - [  -0.0000508900000000,  0.0000110100000000,  0.0000029500000000 ]  - [  -0.0029822100000000,  0.0013116700000000,  0.0020955000000000 ]  - [   0.0029050700000000,  0.0013200600000000, -0.0021136000000000 ]  - [  -0.0000499800000000,  0.0002609100000000,  0.0000030500000000 ]  - [   0.0000343800000000,  0.0001851500000000,  0.0003338400000000 ]  - [  -0.0004899800000000,  0.0001860900000000,  0.0001976900000000 ]  - [  -0.0002296900000000, -0.0002871500000000,  0.0002658200000000 ]  - [  -0.0002811200000000,  0.0000736800000000,  0.0001558200000000 ]  - [  -0.0001782200000000,  0.0000742700000000,  0.0003788200000000 ]  - [  -0.0002291900000000, -0.0001495600000000,  0.0002672500000000 ]  - [   0.0003075100000000,  0.0001971200000000, -0.0000860800000000 ]  - [   0.0001502900000000,  0.0002031400000000, -0.0004414100000000 ]  - [   0.0002293800000000, -0.0002822700000000, -0.0002657600000000 ]  - [   0.0009280900000000,  0.0003025500000000, -0.0006287400000000 ]  - [  -0.0004688100000000,  0.0003034700000000,  0.0000967500000000 ]  - [   0.0002291100000000, -0.0004206000000000, -0.0002659200000000 ]  - [   0.0001573800000000,  0.0013434900000000, -0.0002061600000000 ]  - [  -0.0005370600000000, -0.0006408300000000, -0.0003909100000000 ]  - [   0.0008498200000000, -0.0006439700000000, -0.0000185700000000 ]  - [   0.0001567500000000,  0.0000367700000000, -0.0002027800000000 ]  - [   0.0001607900000000, -0.0000184800000000, -0.0002081000000000 ]  - [   0.0001529900000000, -0.0000185300000000, -0.0001983400000000 ]  - [  -0.0001562900000000,  0.0000389700000000,  0.0002049000000000 ]  - [  -0.0001649300000000, -0.0000196500000000,  0.0001996600000000 ]  - [  -0.0001488100000000, -0.0000202500000000,  0.0002094300000000 ]  - [  -0.0001554100000000,  0.0001238000000000,  0.0002033600000000 ]  - [  -0.0001567500000000, -0.0000693700000000,  0.0001774100000000 ]  - [  -0.0001549100000000, -0.0000693500000000,  0.0002297600000000 ]  - [  -0.0002247800000000,  0.0059572400000000,  0.0002580300000000 ]  - [  -0.0002049100000000, -0.0019955600000000, -0.0009095400000000 ]  - [  -0.0002554800000000, -0.0020009400000000,  0.0014359500000000 ]  - [  -0.0002291100000000,  0.0001696000000000,  0.0002660200000000 ]  - [  -0.0002442900000000, -0.0000831300000000,  0.0003379600000000 ]  - [  -0.0002144300000000, -0.0000837300000000,  0.0001945400000000 ]  - [   0.0002296700000000,  0.0000633200000000, -0.0002658600000000 ]  - [   0.0002179000000000, -0.0000307200000000, -0.0003039400000000 ]  - [   0.0002414100000000, -0.0000309600000000, -0.0002282000000000 ]  - [   0.0002239300000000,  0.0028871900000000, -0.0002608700000000 ]  - [   0.0004921700000000, -0.0013704100000000,  0.0002773200000000 ]  - [  -0.0000326200000000, -0.0013666800000000, -0.0008045900000000 ]  - [  -0.0016147600000000,  0.0005182500000000, -0.0001065500000000 ]  - [   0.0019265800000000,  0.0005163500000000, -0.0003139900000000 ]  - [   0.0001570100000000, -0.0007815700000000, -0.0002057800000000 ]  - [   0.0001577600000000,  0.0000180400000000, -0.0002182400000000 ]  - [   0.0001562700000000,  0.0000183300000000, -0.0001893200000000 ]  - [   0.0001568400000000, -0.0000359200000000, -0.0002036100000000 ]  - [  -0.0001609900000000,  0.0000129200000000,  0.0002063100000000 ]  - [  -0.0001528400000000,  0.0000130200000000,  0.0002015000000000 ]  - [  -0.0001568600000000, -0.0000259400000000,  0.0002039600000000 ]  - [   0.0048720100000000,  0.0164304100000000,  0.0065586400000000 ]  - [  -0.0055259100000000,  0.0168908300000000, -0.0065788000000000 ]  - [  -0.0001533500000000, -0.0017444200000000,  0.0002050100000000 ]- atom:   49  displacement:    [  -0.0051027950040762,  0.0000000000000000,  0.0086000862290081 ]  forces:  - [  -0.0009318900000000,  0.0000000000000000, -0.0013735100000000 ]  - [  -0.0000755000000000, -0.0001106200000000, -0.0008271800000000 ]  - [  -0.0000755000000000,  0.0001106200000000, -0.0008271800000000 ]  - [   0.0004164200000000,  0.0000000000000000, -0.0000967700000000 ]  - [   0.0003697900000000, -0.0000217100000000, -0.0002433500000000 ]  - [   0.0003697900000000,  0.0000217100000000, -0.0002433500000000 ]  - [  -0.0002715900000000,  0.0000000000000000,  0.0016645600000000 ]  - [  -0.0001869500000000,  0.0003083400000000,  0.0010395500000000 ]  - [  -0.0001869500000000, -0.0003083400000000,  0.0010395500000000 ]  - [  -0.0013521600000000,  0.0000000000000000,  0.0010857900000000 ]  - [  -0.0010593200000000, -0.0006084400000000,  0.0004107500000000 ]  - [  -0.0010593200000000,  0.0006084400000000,  0.0004107500000000 ]  - [  -0.0047657600000000, -0.0070822100000000, -0.0037477000000000 ]  - [  -0.0047657600000000,  0.0070822100000000, -0.0037477000000000 ]  - [   0.0004797400000000,  0.0000000000000000, -0.0014312200000000 ]  - [   0.0002611400000000,  0.0000438900000000, -0.0001977900000000 ]  - [   0.0002611400000000, -0.0000438900000000, -0.0001977900000000 ]  - [   0.0002827800000000,  0.0000000000000000, -0.0002636400000000 ]  - [  -0.0003659800000000, -0.0000070400000000,  0.0006187900000000 ]  - [  -0.0003659800000000,  0.0000070400000000,  0.0006187900000000 ]  - [  -0.0003581100000000,  0.0000000000000000,  0.0006009000000000 ]  - [   0.0015977200000000,  0.0001457900000000, -0.0002698400000000 ]  - [   0.0015977200000000, -0.0001457900000000, -0.0002698400000000 ]  - [  -0.0001362500000000,  0.0000000000000000, -0.0000281000000000 ]  - [  -0.0001785800000000,  0.0003244900000000, -0.0003253900000000 ]  - [  -0.0001785800000000, -0.0003244900000000, -0.0003253900000000 ]  - [   0.0000588000000000,  0.0000000000000000,  0.0000634800000000 ]  - [  -0.0000088700000000, -0.0000191900000000,  0.0003603500000000 ]  - [  -0.0000088700000000,  0.0000191900000000,  0.0003603500000000 ]  - [  -0.0000246700000000,  0.0000000000000000,  0.0003330100000000 ]  - [   0.0001540600000000, -0.0000607300000000, -0.0000622700000000 ]  - [   0.0001540600000000,  0.0000607300000000, -0.0000622700000000 ]  - [   0.0001039400000000,  0.0000000000000000, -0.0001785800000000 ]  - [  -0.0002286400000000,  0.0000482200000000, -0.0002822700000000 ]  - [  -0.0002286400000000, -0.0000482200000000, -0.0002822700000000 ]  - [  -0.0001588000000000,  0.0000000000000000, -0.0002454100000000 ]  - [  -0.0002091700000000,  0.0000000000000000,  0.0073299300000000 ]  - [   0.0002338300000000,  0.0001468100000000,  0.0000184600000000 ]  - [   0.0002338300000000, -0.0001468100000000,  0.0000184600000000 ]  - [   0.0000270500000000,  0.0000000000000000,  0.0001598600000000 ]  - [   0.0000215300000000, -0.0000607900000000,  0.0001057900000000 ]  - [   0.0000215300000000,  0.0000607900000000,  0.0001057900000000 ]  - [  -0.0000985100000000,  0.0000000000000000, -0.0001093300000000 ]  - [  -0.0000946000000000, -0.0000244700000000, -0.0000793300000000 ]  - [  -0.0000946000000000,  0.0000244700000000, -0.0000793300000000 ]  - [   0.0000572500000000,  0.0000000000000000,  0.0002195500000000 ]  - [  -0.0000034800000000, -0.0000231700000000,  0.0001419600000000 ]  - [  -0.0000034800000000,  0.0000231700000000,  0.0001419600000000 ]  - [   0.0193744100000000,  0.0000000000000000, -0.0361527800000000 ]  - [   0.0004536900000000, -0.0000586100000000, -0.0003884300000000 ]  - [   0.0004536900000000,  0.0000586100000000, -0.0003884300000000 ]  - [  -0.0000649900000000,  0.0000000000000000,  0.0001048400000000 ]  - [  -0.0000481000000000,  0.0000027000000000,  0.0000879300000000 ]  - [  -0.0000481000000000, -0.0000027000000000,  0.0000879300000000 ]  - [   0.0000392700000000,  0.0000000000000000,  0.0000377900000000 ]  - [   0.0000295400000000,  0.0000000200000000,  0.0000281000000000 ]  - [   0.0000295400000000, -0.0000000200000000,  0.0000281000000000 ]  - [  -0.0002196600000000,  0.0000000000000000, -0.0005776400000000 ]  - [  -0.0001962300000000,  0.0000815200000000, -0.0001990800000000 ]  - [  -0.0001962300000000, -0.0000815200000000, -0.0001990800000000 ]  - [  -0.0018629800000000,  0.0000000000000000, -0.0008125100000000 ]  - [  -0.0003566200000000,  0.0002758200000000,  0.0001384000000000 ]  - [  -0.0003566200000000, -0.0002758200000000,  0.0001384000000000 ]  - [   0.0000172500000000,  0.0000000000000000,  0.0003630100000000 ]  - [   0.0000328500000000, -0.0000100000000000,  0.0003197200000000 ]  - [   0.0000328500000000,  0.0000100000000000,  0.0003197200000000 ]  - [  -0.0000921500000000,  0.0000000000000000, -0.0001659600000000 ]  - [  -0.0000773000000000,  0.0000020800000000, -0.0001818300000000 ]  - [  -0.0000773000000000, -0.0000020800000000, -0.0001818300000000 ]  - [   0.0034961400000000,  0.0000000000000000,  0.0056158500000000 ]  - [   0.0001686000000000, -0.0002738600000000, -0.0002447900000000 ]  - [   0.0001686000000000,  0.0002738600000000, -0.0002447900000000 ]  - [  -0.0000831700000000, -0.0000028700000000, -0.0001657800000000 ]  - [  -0.0000831700000000,  0.0000028700000000, -0.0001657800000000 ]  - [  -0.0000580800000000,  0.0000000000000000, -0.0001486600000000 ]  - [   0.0002870900000000,  0.0001696500000000,  0.0001061600000000 ]  - [   0.0002870900000000, -0.0001696500000000,  0.0001061600000000 ]  - [   0.0001061100000000,  0.0000000000000000, -0.0000386700000000 ]  - [   0.0000120400000000, -0.0007019600000000,  0.0007107200000000 ]  - [   0.0000120400000000,  0.0007019600000000,  0.0007107200000000 ]  - [  -0.0000477400000000,  0.0000000000000000,  0.0002540200000000 ]  - [  -0.0000612000000000,  0.0000186900000000,  0.0004292800000000 ]  - [  -0.0000612000000000, -0.0000186900000000,  0.0004292800000000 ]  - [  -0.0000071300000000,  0.0000000000000000,  0.0002303100000000 ]  - [  -0.0003139900000000,  0.0000237800000000, -0.0000964200000000 ]  - [  -0.0003139900000000, -0.0000237800000000, -0.0000964200000000 ]  - [  -0.0002110000000000,  0.0000000000000000, -0.0000780600000000 ]  - [   0.0001516400000000, -0.0000126600000000,  0.0001068300000000 ]  - [   0.0001516400000000,  0.0000126600000000,  0.0001068300000000 ]  - [   0.0001378000000000,  0.0000000000000000,  0.0000633300000000 ]  - [  -0.0001678700000000, -0.0000207800000000,  0.0001871100000000 ]  - [  -0.0001678700000000,  0.0000207800000000,  0.0001871100000000 ]  - [  -0.0001457500000000,  0.0000000000000000,  0.0001054400000000 ]  - [  -0.0040121300000000,  0.0032769700000000,  0.0030056600000000 ]  - [  -0.0040121300000000, -0.0032769700000000,  0.0030056600000000 ]  - [   0.0000895800000000,  0.0000000000000000, -0.0000728200000000 ]  - [   0.0002046100000000, -0.0002442900000000,  0.0006842800000000 ]  - [   0.0002046100000000,  0.0002442900000000,  0.0006842800000000 ]  - [  -0.0000392100000000,  0.0000000000000000,  0.0005768700000000 ]  - [  -0.0004016400000000,  0.0000248600000000, -0.0001018100000000 ]  - [  -0.0004016400000000, -0.0000248600000000, -0.0001018100000000 ]  - [  -0.0002976800000000,  0.0000000000000000,  0.0000257800000000 ]  - [   0.0001289400000000,  0.0010337300000000, -0.0014536000000000 ]  - [   0.0001289400000000, -0.0010337300000000, -0.0014536000000000 ]  - [   0.0001213100000000,  0.0000000000000000, -0.0006164300000000 ]  - [   0.0012872000000000, -0.0001079700000000, -0.0010640600000000 ]  - [   0.0012872000000000,  0.0001079700000000, -0.0010640600000000 ]  - [   0.0002484600000000,  0.0000000000000000, -0.0006209500000000 ]  - [   0.0034027600000000,  0.0000000000000000,  0.0011087500000000 ]  - [   0.0005215500000000,  0.0007390500000000,  0.0007733300000000 ]  - [   0.0005215500000000, -0.0007390500000000,  0.0007733300000000 ]  - [   0.0002999400000000,  0.0000000000000000, -0.0007309100000000 ]  - [   0.0002620400000000, -0.0000263100000000, -0.0005962900000000 ]  - [   0.0002620400000000,  0.0000263100000000, -0.0005962900000000 ]  - [  -0.0005624500000000,  0.0000000000000000, -0.0002812900000000 ]  - [  -0.0004050000000000, -0.0000401200000000, -0.0001331200000000 ]  - [  -0.0004050000000000,  0.0000401200000000, -0.0001331200000000 ]  - [   0.0005698000000000,  0.0000000000000000,  0.0004717200000000 ]  - [   0.0004357700000000,  0.0000280000000000,  0.0004970600000000 ]  - [   0.0004357700000000, -0.0000280000000000,  0.0004970600000000 ]  - [  -0.0064794200000000,  0.0000000000000000,  0.0061305800000000 ]  - [  -0.0008676100000000, -0.0016452400000000, -0.0000989600000000 ]  - [  -0.0008676100000000,  0.0016452400000000, -0.0000989600000000 ]  - [  -0.0001599800000000,  0.0000000000000000, -0.0002986000000000 ]  - [  -0.0002103200000000,  0.0001227600000000, -0.0001823900000000 ]  - [  -0.0002103200000000, -0.0001227600000000, -0.0001823900000000 ]  - [   0.0003856300000000,  0.0000000000000000, -0.0001784200000000 ]  - [   0.0003557700000000, -0.0000034900000000, -0.0001820600000000 ]  - [   0.0003557700000000,  0.0000034900000000, -0.0001820600000000 ]  - [  -0.0016285000000000,  0.0000000000000000, -0.0001092400000000 ]  - [   0.0000113000000000,  0.0003010400000000, -0.0001106000000000 ]  - [   0.0000113000000000, -0.0003010400000000, -0.0001106000000000 ]  - [   0.0013824600000000,  0.0000187100000000,  0.0021458300000000 ]  - [   0.0013824600000000, -0.0000187100000000,  0.0021458300000000 ]  - [   0.0005231900000000,  0.0000000000000000,  0.0005998600000000 ]  - [   0.0000352200000000, -0.0000266900000000, -0.0004316900000000 ]  - [   0.0000352200000000,  0.0000266900000000, -0.0004316900000000 ]  - [   0.0000423300000000,  0.0000000000000000, -0.0003883900000000 ]  - [   0.0000791900000000,  0.0000132900000000, -0.0000501300000000 ]  - [   0.0000791900000000, -0.0000132900000000, -0.0000501300000000 ]  - [   0.0000385200000000,  0.0000000000000000, -0.0000166300000000 ]  - [  -0.0013360300000000,  0.0047099700000000,  0.0081799300000000 ]  - [  -0.0013360300000000, -0.0047099700000000,  0.0081799300000000 ]  - [  -0.0008459800000000,  0.0000000000000000,  0.0011095200000000 ]- atom:   49  displacement:    [   0.0051027950040762,  0.0000000000000000, -0.0086000862290081 ]  forces:  - [   0.0015449900000000,  0.0000000000000000,  0.0002977800000000 ]  - [   0.0006851800000000,  0.0001111200000000, -0.0002517500000000 ]  - [   0.0006851800000000, -0.0001111200000000, -0.0002517500000000 ]  - [   0.0001951000000000,  0.0000000000000000, -0.0009788500000000 ]  - [   0.0002413700000000,  0.0000220700000000, -0.0008338000000000 ]  - [   0.0002413700000000, -0.0000220700000000, -0.0008338000000000 ]  - [  -0.0003389500000000,  0.0000000000000000, -0.0005764000000000 ]  - [  -0.0004227200000000, -0.0003054600000000,  0.0000421200000000 ]  - [  -0.0004227200000000,  0.0003054600000000,  0.0000421200000000 ]  - [   0.0007410400000000,  0.0000000000000000, -0.0000070100000000 ]  - [   0.0004513100000000,  0.0006108300000000,  0.0006697400000000 ]  - [   0.0004513100000000, -0.0006108300000000,  0.0006697400000000 ]  - [   0.0053695300000000,  0.0070435400000000,  0.0026167900000000 ]  - [   0.0053695300000000, -0.0070435400000000,  0.0026167900000000 ]  - [   0.0001337600000000,  0.0000000000000000,  0.0003477800000000 ]  - [   0.0003489900000000, -0.0000440400000000, -0.0008803200000000 ]  - [   0.0003489900000000,  0.0000440400000000, -0.0008803200000000 ]  - [   0.0003272000000000,  0.0000000000000000, -0.0008148700000000 ]  - [  -0.0002450100000000,  0.0000069600000000,  0.0004610000000000 ]  - [  -0.0002450100000000, -0.0000069600000000,  0.0004610000000000 ]  - [  -0.0002530200000000,  0.0000000000000000,  0.0004785700000000 ]  - [  -0.0021851200000000, -0.0001484300000000,  0.0013526100000000 ]  - [  -0.0021851200000000,  0.0001484300000000,  0.0013526100000000 ]  - [  -0.0004708600000000,  0.0000000000000000,  0.0011052800000000 ]  - [   0.0001606500000000, -0.0003200100000000,  0.0007982700000000 ]  - [   0.0001606500000000,  0.0003200100000000,  0.0007982700000000 ]  - [  -0.0000678000000000,  0.0000000000000000,  0.0004131800000000 ]  - [   0.0000010400000000,  0.0000188200000000,  0.0001171900000000 ]  - [   0.0000010400000000, -0.0000188200000000,  0.0001171900000000 ]  - [   0.0000167500000000,  0.0000000000000000,  0.0001440600000000 ]  - [  -0.0001446500000000,  0.0000600800000000, -0.0004134600000000 ]  - [  -0.0001446500000000, -0.0000600800000000, -0.0004134600000000 ]  - [  -0.0000955200000000,  0.0000000000000000, -0.0002980200000000 ]  - [   0.0002371500000000, -0.0000481600000000, -0.0001941900000000 ]  - [   0.0002371500000000,  0.0000481600000000, -0.0001941900000000 ]  - [   0.0001672900000000,  0.0000000000000000, -0.0002311000000000 ]  - [   0.0002975500000000,  0.0000000000000000, -0.0073362500000000 ]  - [  -0.0001441000000000, -0.0001453500000000, -0.0001791700000000 ]  - [  -0.0001441000000000,  0.0001453500000000, -0.0001791700000000 ]  - [   0.0000620100000000,  0.0000000000000000, -0.0003188800000000 ]  - [   0.0000674100000000,  0.0000609000000000, -0.0002646400000000 ]  - [   0.0000674100000000, -0.0000609000000000, -0.0002646400000000 ]  - [   0.0000090700000000,  0.0000000000000000,  0.0002681700000000 ]  - [   0.0000052400000000,  0.0000244600000000,  0.0002377200000000 ]  - [   0.0000052400000000, -0.0000244600000000,  0.0002377200000000 ]  - [  -0.0001451400000000,  0.0000000000000000, -0.0000589900000000 ]  - [  -0.0000845000000000,  0.0000233500000000,  0.0000185700000000 ]  - [  -0.0000845000000000, -0.0000233500000000,  0.0000185700000000 ]  - [  -0.0186327200000000,  0.0000000000000000,  0.0357536800000000 ]  - [  -0.0003511000000000,  0.0000521700000000,  0.0003804800000000 ]  - [  -0.0003511000000000, -0.0000521700000000,  0.0003804800000000 ]  - [   0.0001668800000000,  0.0000000000000000, -0.0001103400000000 ]  - [   0.0001500600000000, -0.0000025200000000, -0.0000936100000000 ]  - [   0.0001500600000000,  0.0000025200000000, -0.0000936100000000 ]  - [  -0.0001412100000000,  0.0000000000000000, -0.0000316200000000 ]  - [  -0.0001320600000000, -0.0000001000000000, -0.0000217600000000 ]  - [  -0.0001320600000000,  0.0000001000000000, -0.0000217600000000 ]  - [   0.0001191800000000,  0.0000000000000000,  0.0005795100000000 ]  - [   0.0000959400000000, -0.0000813600000000,  0.0002038100000000 ]  - [   0.0000959400000000,  0.0000813600000000,  0.0002038100000000 ]  - [   0.0018297700000000,  0.0000000000000000,  0.0012708000000000 ]  - [   0.0003489600000000, -0.0002760400000000,  0.0003370300000000 ]  - [   0.0003489600000000,  0.0002760400000000,  0.0003370300000000 ]  - [  -0.0000258700000000,  0.0000000000000000,  0.0001135600000000 ]  - [  -0.0000414400000000,  0.0000102300000000,  0.0001570100000000 ]  - [  -0.0000414400000000, -0.0000102300000000,  0.0001570100000000 ]  - [   0.0000995100000000,  0.0000000000000000, -0.0003103600000000 ]  - [   0.0000850300000000, -0.0000022100000000, -0.0002947600000000 ]  - [   0.0000850300000000,  0.0000022100000000, -0.0002947600000000 ]  - [  -0.0035421700000000,  0.0000000000000000, -0.0061700100000000 ]  - [  -0.0001623300000000,  0.0002672000000000, -0.0002245200000000 ]  - [  -0.0001623300000000, -0.0002672000000000, -0.0002245200000000 ]  - [   0.0001718300000000,  0.0000026500000000,  0.0000067700000000 ]  - [   0.0001718300000000, -0.0000026500000000,  0.0000067700000000 ]  - [   0.0001471300000000,  0.0000000000000000, -0.0000108900000000 ]  - [  -0.0001983300000000, -0.0001700600000000, -0.0002632100000000 ]  - [  -0.0001983300000000,  0.0001700600000000, -0.0002632100000000 ]  - [  -0.0000164100000000,  0.0000000000000000, -0.0001178400000000 ]  - [  -0.0000990300000000,  0.0006918100000000, -0.0005459800000000 ]  - [  -0.0000990300000000, -0.0006918100000000, -0.0005459800000000 ]  - [  -0.0000409900000000,  0.0000000000000000, -0.0000962300000000 ]  - [  -0.0000282100000000, -0.0000184900000000, -0.0002698200000000 ]  - [  -0.0000282100000000,  0.0000184900000000, -0.0002698200000000 ]  - [  -0.0000822000000000,  0.0000000000000000, -0.0000711900000000 ]  - [   0.0004158400000000, -0.0000240100000000,  0.0000901400000000 ]  - [   0.0004158400000000,  0.0000240100000000,  0.0000901400000000 ]  - [   0.0003140500000000,  0.0000000000000000,  0.0000718300000000 ]  - [  -0.0000484000000000,  0.0000122300000000, -0.0001125100000000 ]  - [  -0.0000484000000000, -0.0000122300000000, -0.0001125100000000 ]  - [  -0.0000352800000000,  0.0000000000000000, -0.0000690500000000 ]  - [   0.0000651300000000,  0.0000207600000000, -0.0001800000000000 ]  - [   0.0000651300000000, -0.0000207600000000, -0.0001800000000000 ]  - [   0.0000429900000000,  0.0000000000000000, -0.0000991600000000 ]  - [   0.0039756600000000, -0.0033472900000000, -0.0030564100000000 ]  - [   0.0039756600000000,  0.0033472900000000, -0.0030564100000000 ]  - [  -0.0001935100000000,  0.0000000000000000,  0.0000792800000000 ]  - [  -0.0006603500000000,  0.0002451100000000, -0.0001505800000000 ]  - [  -0.0006603500000000, -0.0002451100000000, -0.0001505800000000 ]  - [  -0.0004194100000000,  0.0000000000000000, -0.0000426600000000 ]  - [  -0.0000591500000000, -0.0000248400000000,  0.0006318400000000 ]  - [  -0.0000591500000000,  0.0000248400000000,  0.0006318400000000 ]  - [  -0.0001626300000000,  0.0000000000000000,  0.0005036400000000 ]  - [   0.0003275100000000, -0.0010246800000000,  0.0009139900000000 ]  - [   0.0003275100000000,  0.0010246800000000,  0.0009139900000000 ]  - [   0.0003375100000000,  0.0000000000000000,  0.0000851000000000 ]  - [  -0.0008300300000000,  0.0001053900000000,  0.0005313000000000 ]  - [  -0.0008300300000000, -0.0001053900000000,  0.0005313000000000 ]  - [   0.0002116900000000,  0.0000000000000000,  0.0000876600000000 ]  - [  -0.0030288300000000,  0.0000000000000000, -0.0015331400000000 ]  - [  -0.0002050900000000, -0.0007391400000000, -0.0011839000000000 ]  - [  -0.0002050900000000,  0.0007391400000000, -0.0011839000000000 ]  - [   0.0000135200000000,  0.0000000000000000,  0.0003203200000000 ]  - [   0.0000509100000000,  0.0000257900000000,  0.0001866600000000 ]  - [   0.0000509100000000, -0.0000257900000000,  0.0001866600000000 ]  - [   0.0002467600000000,  0.0000000000000000,  0.0006844300000000 ]  - [   0.0000903600000000,  0.0000400700000000,  0.0005371800000000 ]  - [   0.0000903600000000, -0.0000400700000000,  0.0005371800000000 ]  - [  -0.0008814700000000,  0.0000000000000000, -0.0000630100000000 ]  - [  -0.0007493700000000, -0.0000284600000000, -0.0000898000000000 ]  - [  -0.0007493700000000,  0.0000284600000000, -0.0000898000000000 ]  - [   0.0053605700000000,  0.0000000000000000, -0.0051443300000000 ]  - [   0.0004063400000000,  0.0016414700000000,  0.0006390700000000 ]  - [   0.0004063400000000, -0.0016414700000000,  0.0006390700000000 ]  - [  -0.0002969400000000,  0.0000000000000000,  0.0008304000000000 ]  - [  -0.0002469200000000, -0.0001227800000000,  0.0007142700000000 ]  - [  -0.0002469200000000,  0.0001227800000000,  0.0007142700000000 ]  - [   0.0000743600000000,  0.0000000000000000, -0.0003541100000000 ]  - [   0.0001042000000000,  0.0000031300000000, -0.0003506000000000 ]  - [   0.0001042000000000, -0.0000031300000000, -0.0003506000000000 ]  - [   0.0020865900000000,  0.0000000000000000, -0.0004347000000000 ]  - [   0.0004430100000000, -0.0002979900000000, -0.0004248100000000 ]  - [   0.0004430100000000,  0.0002979900000000, -0.0004248100000000 ]  - [  -0.0010772400000000, -0.0000149700000000, -0.0025392700000000 ]  - [  -0.0010772400000000,  0.0000149700000000, -0.0025392700000000 ]  - [  -0.0002130200000000,  0.0000000000000000, -0.0010032900000000 ]  - [   0.0002778900000000,  0.0000268600000000,  0.0000233000000000 ]  - [   0.0002778900000000, -0.0000268600000000,  0.0000233000000000 ]  - [   0.0002706200000000,  0.0000000000000000, -0.0000198400000000 ]  - [  -0.0003910500000000, -0.0000129600000000,  0.0004555100000000 ]  - [  -0.0003910500000000,  0.0000129600000000,  0.0004555100000000 ]  - [  -0.0003507100000000,  0.0000000000000000,  0.0004232700000000 ]  - [   0.0009743600000000, -0.0047262500000000, -0.0077321000000000 ]  - [   0.0009743600000000,  0.0047262500000000, -0.0077321000000000 ]  - [   0.0005293200000000,  0.0000000000000000, -0.0006989800000000 ]- atom:   97  displacement:    [   0.0099998977798981,  0.0000000000000000,  0.0000452149487271 ]  forces:  - [   0.0167994100000000, -0.0026445200000000,  0.0012197800000000 ]  - [   0.0012427800000000,  0.0000000000000000, -0.0010991000000000 ]  - [   0.0167994100000000,  0.0026445200000000,  0.0012197800000000 ]  - [   0.0001708400000000, -0.0000210900000000, -0.0002890800000000 ]  - [   0.0002166200000000,  0.0000000000000000, -0.0003889100000000 ]  - [   0.0001708400000000,  0.0000210900000000, -0.0002890800000000 ]  - [  -0.0006149800000000,  0.0001190100000000,  0.0009487800000000 ]  - [  -0.0004876900000000,  0.0000000000000000,  0.0008348800000000 ]  - [  -0.0006149800000000, -0.0001190100000000,  0.0009487800000000 ]  - [   0.0024684700000000,  0.0003426200000000, -0.0012955600000000 ]  - [   0.0004275500000000,  0.0000000000000000,  0.0001462100000000 ]  - [   0.0024684700000000, -0.0003426200000000, -0.0012955600000000 ]  - [  -0.0017508000000000,  0.0000000000000000, -0.0007204500000000 ]  - [  -0.0008529900000000, -0.0000372600000000, -0.0004115200000000 ]  - [  -0.0008529900000000,  0.0000372600000000, -0.0004115200000000 ]  - [   0.0003702500000000,  0.0000000000000000, -0.0015979700000000 ]  - [   0.0004309100000000, -0.0000065900000000, -0.0011215700000000 ]  - [   0.0004309100000000,  0.0000065900000000, -0.0011215700000000 ]  - [   0.0004849400000000,  0.0000000000000000, -0.0026215800000000 ]  - [  -0.0000880200000000, -0.0010991000000000, -0.0002837500000000 ]  - [  -0.0000880200000000,  0.0010991000000000, -0.0002837500000000 ]  - [  -0.0017202800000000,  0.0000000000000000,  0.0009850800000000 ]  - [  -0.0012123600000000, -0.0002936300000000,  0.0005514300000000 ]  - [  -0.0012123600000000,  0.0002936300000000,  0.0005514300000000 ]  - [   0.0223837800000000,  0.0000000000000000, -0.0018744100000000 ]  - [   0.0005445000000000,  0.0006215600000000, -0.0000701600000000 ]  - [   0.0005445000000000, -0.0006215600000000, -0.0000701600000000 ]  - [  -0.0000643000000000,  0.0000000000000000,  0.0002502300000000 ]  - [  -0.0000463400000000, -0.0000030900000000,  0.0002336100000000 ]  - [  -0.0000463400000000,  0.0000030900000000,  0.0002336100000000 ]  - [  -0.0002282300000000,  0.0000000000000000,  0.0001817700000000 ]  - [  -0.0000427900000000,  0.0000388200000000, -0.0000709500000000 ]  - [  -0.0000427900000000, -0.0000388200000000, -0.0000709500000000 ]  - [   0.0011610500000000,  0.0000000000000000,  0.0012582500000000 ]  - [   0.0002016100000000,  0.0000157600000000, -0.0000989500000000 ]  - [   0.0002016100000000, -0.0000157600000000, -0.0000989500000000 ]  - [  -0.0005486700000000,  0.0001491400000000,  0.0001192700000000 ]  - [  -0.0001544400000000,  0.0000000000000000, -0.0000250400000000 ]  - [  -0.0005486700000000, -0.0001491400000000,  0.0001192700000000 ]  - [   0.0000751700000000, -0.0000188600000000, -0.0004221900000000 ]  - [   0.0000323700000000,  0.0000000000000000, -0.0003908200000000 ]  - [   0.0000751700000000,  0.0000188600000000, -0.0004221900000000 ]  - [   0.0068526500000000, -0.0041702000000000, -0.0027254400000000 ]  - [   0.0005301400000000,  0.0000000000000000,  0.0007251700000000 ]  - [   0.0068526500000000,  0.0041702000000000, -0.0027254400000000 ]  - [  -0.0000870900000000, -0.0000118300000000,  0.0002424100000000 ]  - [  -0.0000526400000000,  0.0000000000000000,  0.0001133500000000 ]  - [  -0.0000870900000000,  0.0000118300000000,  0.0002424100000000 ]  - [  -0.0014326700000000,  0.0002614200000000, -0.0003788700000000 ]  - [  -0.0003699500000000,  0.0000000000000000, -0.0000302900000000 ]  - [  -0.0014326700000000, -0.0002614200000000, -0.0003788700000000 ]  - [  -0.0000898900000000, -0.0000518800000000, -0.0002885800000000 ]  - [  -0.0000704700000000,  0.0000000000000000, -0.0001554400000000 ]  - [  -0.0000898900000000,  0.0000518800000000, -0.0002885800000000 ]  - [   0.0004435100000000, -0.0000799900000000,  0.0001766100000000 ]  - [   0.0002451700000000,  0.0000000000000000,  0.0000519000000000 ]  - [   0.0004435100000000,  0.0000799900000000,  0.0001766100000000 ]  - [  -0.0010154700000000, -0.0006968100000000,  0.0006581600000000 ]  - [   0.0000204800000000,  0.0000000000000000,  0.0000645200000000 ]  - [  -0.0010154700000000,  0.0006968100000000,  0.0006581600000000 ]  - [  -0.0010396700000000, -0.0004089100000000,  0.0004544300000000 ]  - [  -0.0001387500000000,  0.0000000000000000,  0.0002569800000000 ]  - [  -0.0010396700000000,  0.0004089100000000,  0.0004544300000000 ]  - [   0.0000530500000000, -0.0000645300000000,  0.0001453100000000 ]  - [   0.0000324800000000,  0.0000000000000000,  0.0001584400000000 ]  - [   0.0000530500000000,  0.0000645300000000,  0.0001453100000000 ]  - [  -0.0000146900000000, -0.0003580400000000, -0.0010705000000000 ]  - [  -0.0000503800000000,  0.0000000000000000, -0.0003167700000000 ]  - [  -0.0000146900000000,  0.0003580400000000, -0.0010705000000000 ]  - [  -0.0003546800000000,  0.0000305100000000, -0.0004621000000000 ]  - [  -0.0001890300000000,  0.0000000000000000, -0.0003665000000000 ]  - [  -0.0003546800000000, -0.0000305100000000, -0.0004621000000000 ]  - [   0.0213536300000000,  0.0000000000000000,  0.0089085500000000 ]  - [   0.0011287300000000, -0.0007442000000000, -0.0000685700000000 ]  - [   0.0011287300000000,  0.0007442000000000, -0.0000685700000000 ]  - [  -0.0000064200000000,  0.0000000000000000, -0.0000226900000000 ]  - [  -0.0000011200000000, -0.0000268900000000, -0.0000593800000000 ]  - [  -0.0000011200000000,  0.0000268900000000, -0.0000593800000000 ]  - [  -0.0005363300000000,  0.0000000000000000, -0.0000106900000000 ]  - [  -0.0003494900000000,  0.0000028900000000,  0.0000259900000000 ]  - [  -0.0003494900000000, -0.0000028900000000,  0.0000259900000000 ]  - [  -0.0000408300000000,  0.0000000000000000, -0.0004998700000000 ]  - [  -0.0000964400000000, -0.0000012800000000, -0.0002609400000000 ]  - [  -0.0000964400000000,  0.0000012800000000, -0.0002609400000000 ]  - [   0.0105974200000000,  0.0000000000000000, -0.0009723400000000 ]  - [   0.0013103600000000, -0.0000198300000000, -0.0000024800000000 ]  - [   0.0013103600000000,  0.0000198300000000, -0.0000024800000000 ]  - [   0.0001621500000000,  0.0000000000000000,  0.0001397900000000 ]  - [   0.0001404700000000,  0.0000145000000000,  0.0000692700000000 ]  - [   0.0001404700000000, -0.0000145000000000,  0.0000692700000000 ]  - [  -0.0003631200000000,  0.0000000000000000, -0.0000008400000000 ]  - [  -0.0002976600000000, -0.0000120600000000,  0.0000033400000000 ]  - [  -0.0002976600000000,  0.0000120600000000,  0.0000033400000000 ]  - [  -0.0004773000000000,  0.0000000000000000, -0.0023983100000000 ]  - [  -0.0003235200000000,  0.0002658700000000, -0.0004086400000000 ]  - [  -0.0003235200000000, -0.0002658700000000, -0.0004086400000000 ]  - [  -0.0879533700000000,  0.0000000000000000, -0.0173736300000000 ]  - [  -0.0035037200000000, -0.0006575100000000, -0.0001142100000000 ]  - [  -0.0035037200000000,  0.0006575100000000, -0.0001142100000000 ]  - [  -0.0001427100000000,  0.0000000000000000,  0.0000698800000000 ]  - [  -0.0001870900000000,  0.0000495900000000,  0.0001462500000000 ]  - [  -0.0001870900000000, -0.0000495900000000,  0.0001462500000000 ]  - [   0.0012216800000000,  0.0000000000000000, -0.0008310000000000 ]  - [   0.0006993200000000, -0.0003184000000000, -0.0006835900000000 ]  - [   0.0006993200000000,  0.0003184000000000, -0.0006835900000000 ]  - [  -0.0011953300000000,  0.0000000000000000,  0.0010206200000000 ]  - [   0.0000403900000000, -0.0003611200000000,  0.0005276000000000 ]  - [   0.0000403900000000,  0.0003611200000000,  0.0005276000000000 ]  - [   0.0012443700000000, -0.0097675000000000,  0.0116661600000000 ]  - [  -0.0003619000000000,  0.0000000000000000,  0.0008423800000000 ]  - [   0.0012443700000000,  0.0097675000000000,  0.0116661600000000 ]  - [   0.0005351500000000,  0.0000405700000000, -0.0002881400000000 ]  - [   0.0004478200000000,  0.0000000000000000, -0.0002531200000000 ]  - [   0.0005351500000000, -0.0000405700000000, -0.0002881400000000 ]  - [  -0.0001424300000000, -0.0002026600000000, -0.0004065400000000 ]  - [  -0.0002051400000000,  0.0000000000000000, -0.0001652600000000 ]  - [  -0.0001424300000000,  0.0002026600000000, -0.0004065400000000 ]  - [  -0.0061079200000000,  0.0052735900000000, -0.0041076400000000 ]  - [  -0.0013570900000000,  0.0000000000000000,  0.0000564100000000 ]  - [  -0.0061079200000000, -0.0052735900000000, -0.0041076400000000 ]  - [   0.0020031800000000,  0.0001404100000000,  0.0002560900000000 ]  - [   0.0003781400000000,  0.0000000000000000,  0.0002148600000000 ]  - [   0.0020031800000000, -0.0001404100000000,  0.0002560900000000 ]  - [  -0.0002220900000000,  0.0000619600000000,  0.0010158900000000 ]  - [  -0.0001544900000000,  0.0000000000000000,  0.0008939600000000 ]  - [  -0.0002220900000000, -0.0000619600000000,  0.0010158900000000 ]  - [  -0.0040023000000000,  0.0059078400000000,  0.0031415300000000 ]  - [  -0.0008656500000000,  0.0000000000000000, -0.0004556800000000 ]  - [  -0.0040023000000000, -0.0059078400000000,  0.0031415300000000 ]  - [   0.0011220100000000,  0.0001331000000000, -0.0006348200000000 ]  - [   0.0004379200000000,  0.0000000000000000, -0.0003522700000000 ]  - [   0.0011220100000000, -0.0001331000000000, -0.0006348200000000 ]  - [   0.0051844600000000,  0.0000000000000000, -0.0013296400000000 ]  - [   0.0009280700000000,  0.0009048200000000, -0.0005022800000000 ]  - [   0.0009280700000000, -0.0009048200000000, -0.0005022800000000 ]  - [  -0.0007158800000000,  0.0000000000000000,  0.0004178900000000 ]  - [  -0.0003953800000000, -0.0000749000000000,  0.0001073400000000 ]  - [  -0.0003953800000000,  0.0000749000000000,  0.0001073400000000 ]  - [   0.0004474000000000,  0.0000000000000000,  0.0017212000000000 ]  - [  -0.0000055900000000,  0.0002996900000000,  0.0010583100000000 ]  - [  -0.0000055900000000, -0.0002996900000000,  0.0010583100000000 ]  - [   0.0019472100000000,  0.0000000000000000,  0.0009953900000000 ]  - [   0.0010464100000000, -0.0004271200000000,  0.0007313700000000 ]  - [   0.0010464100000000,  0.0004271200000000,  0.0007313700000000 ]- atom:   97  displacement:    [  -0.0099998977798981,  0.0000000000000000, -0.0000452149487271 ]  forces:  - [  -0.0161492000000000,  0.0025217300000000, -0.0022344500000000 ]  - [  -0.0006380800000000,  0.0000000000000000,  0.0000079200000000 ]  - [  -0.0161492000000000, -0.0025217300000000, -0.0022344500000000 ]  - [   0.0004392300000000,  0.0000209500000000, -0.0007903400000000 ]  - [   0.0003934600000000,  0.0000000000000000, -0.0006897700000000 ]  - [   0.0004392300000000, -0.0000209500000000, -0.0007903400000000 ]  - [   0.0000044900000000, -0.0001205300000000,  0.0001274000000000 ]  - [  -0.0001235500000000,  0.0000000000000000,  0.0002425900000000 ]  - [   0.0000044900000000,  0.0001205300000000,  0.0001274000000000 ]  - [  -0.0030905200000000, -0.0003385400000000,  0.0023767900000000 ]  - [  -0.0010404000000000,  0.0000000000000000,  0.0009252400000000 ]  - [  -0.0030905200000000,  0.0003385400000000,  0.0023767900000000 ]  - [   0.0023629700000000,  0.0000000000000000, -0.0003561900000000 ]  - [   0.0014636200000000,  0.0000333600000000, -0.0006656700000000 ]  - [   0.0014636200000000, -0.0000333600000000, -0.0006656700000000 ]  - [   0.0002404700000000,  0.0000000000000000,  0.0005190600000000 ]  - [   0.0001800900000000,  0.0000060200000000,  0.0000435100000000 ]  - [   0.0001800900000000, -0.0000060200000000,  0.0000435100000000 ]  - [  -0.0010932200000000,  0.0000000000000000,  0.0036923600000000 ]  - [  -0.0005209000000000,  0.0010957900000000,  0.0013637300000000 ]  - [  -0.0005209000000000, -0.0010957900000000,  0.0013637300000000 ]  - [   0.0011120000000000,  0.0000000000000000,  0.0000961200000000 ]  - [   0.0006031400000000,  0.0002927300000000,  0.0005286000000000 ]  - [   0.0006031400000000, -0.0002927300000000,  0.0005286000000000 ]  - [  -0.0237970100000000,  0.0000000000000000,  0.0021411100000000 ]  - [  -0.0005620500000000, -0.0006212300000000,  0.0005474900000000 ]  - [  -0.0005620500000000,  0.0006212300000000,  0.0005474900000000 ]  - [   0.0000570900000000,  0.0000000000000000,  0.0002255900000000 ]  - [   0.0000391500000000,  0.0000029500000000,  0.0002422100000000 ]  - [   0.0000391500000000, -0.0000029500000000,  0.0002422100000000 ]  - [   0.0002359100000000,  0.0000000000000000, -0.0006603400000000 ]  - [   0.0000489900000000, -0.0000392300000000, -0.0004052200000000 ]  - [   0.0000489900000000,  0.0000392300000000, -0.0004052200000000 ]  - [  -0.0011486900000000,  0.0000000000000000, -0.0017316800000000 ]  - [  -0.0001947500000000, -0.0000152200000000, -0.0003791000000000 ]  - [  -0.0001947500000000,  0.0000152200000000, -0.0003791000000000 ]  - [   0.0006405400000000, -0.0001508900000000, -0.0002813700000000 ]  - [   0.0002432200000000,  0.0000000000000000, -0.0001350300000000 ]  - [   0.0006405400000000,  0.0001508900000000, -0.0002813700000000 ]  - [   0.0000142300000000,  0.0000179200000000,  0.0002621900000000 ]  - [   0.0000565100000000,  0.0000000000000000,  0.0002300300000000 ]  - [   0.0000142300000000, -0.0000179200000000,  0.0002621900000000 ]  - [  -0.0068873000000000,  0.0042054200000000,  0.0029275800000000 ]  - [  -0.0006189600000000,  0.0000000000000000, -0.0005585200000000 ]  - [  -0.0068873000000000, -0.0042054200000000,  0.0029275800000000 ]  - [  -0.0000016900000000,  0.0000117600000000, -0.0000822900000000 ]  - [  -0.0000361000000000,  0.0000000000000000,  0.0000464200000000 ]  - [  -0.0000016900000000, -0.0000117600000000, -0.0000822900000000 ]  - [   0.0015398200000000, -0.0002637100000000,  0.0003749000000000 ]  - [   0.0004705800000000,  0.0000000000000000,  0.0000237900000000 ]  - [   0.0015398200000000,  0.0002637100000000,  0.0003749000000000 ]  - [   0.0001928300000000,  0.0000520200000000,  0.0002821000000000 ]  - [   0.0001730700000000,  0.0000000000000000,  0.0001493200000000 ]  - [   0.0001928300000000, -0.0000520200000000,  0.0002821000000000 ]  - [  -0.0005456000000000,  0.0000788900000000, -0.0001669100000000 ]  - [  -0.0003474100000000,  0.0000000000000000, -0.0000444100000000 ]  - [  -0.0005456000000000, -0.0000788900000000, -0.0001669100000000 ]  - [   0.0009135200000000,  0.0006969700000000, -0.0006511800000000 ]  - [  -0.0001202400000000,  0.0000000000000000, -0.0000587800000000 ]  - [   0.0009135200000000, -0.0006969700000000, -0.0006511800000000 ]  - [   0.0010276400000000,  0.0004060500000000,  0.0000246100000000 ]  - [   0.0001329400000000,  0.0000000000000000,  0.0002193300000000 ]  - [   0.0010276400000000, -0.0004060500000000,  0.0000246100000000 ]  - [  -0.0000602000000000,  0.0000643100000000,  0.0003315400000000 ]  - [  -0.0000399000000000,  0.0000000000000000,  0.0003179600000000 ]  - [  -0.0000602000000000, -0.0000643100000000,  0.0003315400000000 ]  - [   0.0000233100000000,  0.0003588600000000,  0.0005953000000000 ]  - [   0.0000585500000000,  0.0000000000000000, -0.0001593500000000 ]  - [   0.0000233100000000, -0.0003588600000000,  0.0005953000000000 ]  - [   0.0003625200000000, -0.0000311600000000, -0.0000127200000000 ]  - [   0.0001958300000000,  0.0000000000000000, -0.0001086800000000 ]  - [   0.0003625200000000,  0.0000311600000000, -0.0000127200000000 ]  - [  -0.0205990700000000,  0.0000000000000000, -0.0084176900000000 ]  - [  -0.0010335200000000,  0.0007396800000000, -0.0000892500000000 ]  - [  -0.0010335200000000, -0.0007396800000000, -0.0000892500000000 ]  - [   0.0000957100000000,  0.0000000000000000, -0.0001362300000000 ]  - [   0.0000903300000000,  0.0000266900000000, -0.0000995200000000 ]  - [   0.0000903300000000, -0.0000266900000000, -0.0000995200000000 ]  - [   0.0004468500000000,  0.0000000000000000,  0.0001693300000000 ]  - [   0.0002603800000000, -0.0000039500000000,  0.0001329200000000 ]  - [   0.0002603800000000,  0.0000039500000000,  0.0001329200000000 ]  - [  -0.0000489500000000,  0.0000000000000000,  0.0006620400000000 ]  - [   0.0000069600000000,  0.0000008700000000,  0.0004201200000000 ]  - [   0.0000069600000000, -0.0000008700000000,  0.0004201200000000 ]  - [  -0.0098841200000000,  0.0000000000000000,  0.0005817100000000 ]  - [  -0.0011940700000000,  0.0000201800000000, -0.0000031200000000 ]  - [  -0.0011940700000000, -0.0000201800000000, -0.0000031200000000 ]  - [  -0.0000609800000000,  0.0000000000000000, -0.0001462100000000 ]  - [  -0.0000391800000000, -0.0000146100000000, -0.0000752800000000 ]  - [  -0.0000391800000000,  0.0000146100000000, -0.0000752800000000 ]  - [   0.0002614700000000,  0.0000000000000000,  0.0000063500000000 ]  - [   0.0001959000000000,  0.0000118500000000,  0.0000023500000000 ]  - [   0.0001959000000000, -0.0000118500000000,  0.0000023500000000 ]  - [   0.0003765200000000,  0.0000000000000000,  0.0024265000000000 ]  - [   0.0002196400000000, -0.0002639600000000,  0.0004138300000000 ]  - [   0.0002196400000000,  0.0002639600000000,  0.0004138300000000 ]  - [   0.0875440200000000,  0.0000000000000000,  0.0178136100000000 ]  - [   0.0030463500000000,  0.0006091300000000,  0.0006453200000000 ]  - [   0.0030463500000000, -0.0006091300000000,  0.0006453200000000 ]  - [  -0.0003164500000000,  0.0000000000000000,  0.0004621900000000 ]  - [  -0.0002718500000000, -0.0000493800000000,  0.0003862600000000 ]  - [  -0.0002718500000000,  0.0000493800000000,  0.0003862600000000 ]  - [  -0.0007650200000000,  0.0000000000000000,  0.0003043200000000 ]  - [  -0.0002396400000000,  0.0003217500000000,  0.0001550900000000 ]  - [  -0.0002396400000000, -0.0003217500000000,  0.0001550900000000 ]  - [   0.0016603900000000,  0.0000000000000000, -0.0015468400000000 ]  - [   0.0004199700000000,  0.0003681000000000, -0.0010568000000000 ]  - [   0.0004199700000000, -0.0003681000000000, -0.0010568000000000 ]  - [  -0.0009195400000000,  0.0098622300000000, -0.0121901700000000 ]  - [   0.0006894400000000,  0.0000000000000000, -0.0012470000000000 ]  - [  -0.0009195400000000, -0.0098622300000000, -0.0121901700000000 ]  - [  -0.0002225700000000, -0.0000404500000000, -0.0001179000000000 ]  - [  -0.0001354000000000,  0.0000000000000000, -0.0001539200000000 ]  - [  -0.0002225700000000,  0.0000404500000000, -0.0001179000000000 ]  - [  -0.0001687000000000,  0.0002044000000000,  0.0008145800000000 ]  - [  -0.0001067200000000,  0.0000000000000000,  0.0005710700000000 ]  - [  -0.0001687000000000, -0.0002044000000000,  0.0008145800000000 ]  - [   0.0057464000000000, -0.0052639500000000,  0.0045307300000000 ]  - [   0.0010342000000000,  0.0000000000000000,  0.0003589500000000 ]  - [   0.0057464000000000,  0.0052639500000000,  0.0045307300000000 ]  - [  -0.0024622900000000, -0.0001384000000000,  0.0002774400000000 ]  - [  -0.0008362600000000,  0.0000000000000000,  0.0003181400000000 ]  - [  -0.0024622900000000,  0.0001384000000000,  0.0002774400000000 ]  - [  -0.0002361900000000, -0.0000604600000000, -0.0004839700000000 ]  - [  -0.0003034900000000,  0.0000000000000000, -0.0003606700000000 ]  - [  -0.0002361900000000,  0.0000604600000000, -0.0004839700000000 ]  - [   0.0044430300000000, -0.0058897100000000, -0.0036754100000000 ]  - [   0.0013173200000000,  0.0000000000000000, -0.0000818900000000 ]  - [   0.0044430300000000,  0.0058897100000000, -0.0036754100000000 ]  - [  -0.0006646600000000, -0.0001326200000000,  0.0001005100000000 ]  - [   0.0000188500000000,  0.0000000000000000, -0.0001814900000000 ]  - [  -0.0006646600000000,  0.0001326200000000,  0.0001005100000000 ]  - [  -0.0048752300000000,  0.0000000000000000,  0.0009133000000000 ]  - [  -0.0006193800000000, -0.0009012500000000,  0.0000917800000000 ]  - [  -0.0006193800000000,  0.0009012500000000,  0.0000917800000000 ]  - [   0.0010260300000000,  0.0000000000000000, -0.0008269200000000 ]  - [   0.0007074000000000,  0.0000741100000000, -0.0005171000000000 ]  - [   0.0007074000000000, -0.0000741100000000, -0.0005171000000000 ]  - [  -0.0007596200000000,  0.0000000000000000, -0.0013149700000000 ]  - [  -0.0003085400000000, -0.0002996900000000, -0.0006521700000000 ]  - [  -0.0003085400000000,  0.0002996900000000, -0.0006521700000000 ]  - [  -0.0022650500000000,  0.0000000000000000, -0.0005923800000000 ]  - [  -0.0013589300000000,  0.0004300500000000, -0.0003266300000000 ]  - [  -0.0013589300000000, -0.0004300500000000, -0.0003266300000000 ]- atom:   97  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0002863900000000,  0.0259992500000000, -0.0065945100000000 ]  - [   0.0003061500000000, -0.0113962000000000, -0.0005230000000000 ]  - [   0.0006880500000000,  0.0242678600000000,  0.0044081000000000 ]  - [   0.0003474900000000,  0.0000683400000000, -0.0006334200000000 ]  - [   0.0003051500000000, -0.0001359600000000, -0.0005383400000000 ]  - [   0.0002628800000000,  0.0000678300000000, -0.0004432600000000 ]  - [  -0.0001810100000000,  0.0001925400000000,  0.0005134400000000 ]  - [  -0.0003045500000000, -0.0003859500000000,  0.0005390200000000 ]  - [  -0.0004281200000000,  0.0001920000000000,  0.0005646200000000 ]  - [   0.0020445800000000,  0.0012936000000000,  0.0095290600000000 ]  - [  -0.0003036000000000, -0.0026797500000000,  0.0005427300000000 ]  - [  -0.0026501900000000,  0.0013087400000000, -0.0084301900000000 ]  - [   0.0003076800000000,  0.0005236900000000, -0.0005395800000000 ]  - [   0.0002435400000000, -0.0002641800000000, -0.0006410900000000 ]  - [   0.0003680100000000, -0.0002675500000000, -0.0004397200000000 ]  - [   0.0003054300000000,  0.0002775100000000, -0.0005334500000000 ]  - [   0.0000906200000000, -0.0001445800000000, -0.0008419500000000 ]  - [   0.0005189800000000, -0.0001454500000000, -0.0002301400000000 ]  - [  -0.0003082500000000,  0.0031673700000000,  0.0005544900000000 ]  - [  -0.0006945200000000, -0.0015336600000000, -0.0006033600000000 ]  - [   0.0000849800000000, -0.0015503300000000,  0.0016854200000000 ]  - [  -0.0003036300000000,  0.0003355200000000,  0.0005372400000000 ]  - [  -0.0003226500000000, -0.0001541200000000,  0.0007323500000000 ]  - [  -0.0002864700000000, -0.0001563100000000,  0.0003456700000000 ]  - [   0.0000735300000000,  0.0074340900000000,  0.0002326600000000 ]  - [   0.0013986300000000, -0.0023541200000000,  0.0008571900000000 ]  - [  -0.0013984200000000, -0.0023480400000000, -0.0003787800000000 ]  - [  -0.0000037400000000,  0.0000451200000000,  0.0002391200000000 ]  - [  -0.0000161300000000, -0.0000224400000000,  0.0002560800000000 ]  - [   0.0000084500000000, -0.0000227000000000,  0.0002222400000000 ]  - [   0.0000042800000000,  0.0001777600000000, -0.0002390600000000 ]  - [   0.0002491200000000, -0.0000888800000000, -0.0004949400000000 ]  - [  -0.0002411000000000, -0.0000887600000000,  0.0000168600000000 ]  - [   0.0000003200000000,  0.0031212400000000, -0.0002398600000000 ]  - [   0.0000872300000000, -0.0014998700000000,  0.0004832400000000 ]  - [  -0.0000792900000000, -0.0014945200000000, -0.0009552300000000 ]  - [   0.0001865900000000,  0.0000856500000000, -0.0001441800000000 ]  - [   0.0000458100000000, -0.0001643300000000, -0.0000808300000000 ]  - [  -0.0000955700000000,  0.0000847900000000, -0.0000160600000000 ]  - [   0.0001663400000000,  0.0002729700000000,  0.0002627700000000 ]  - [   0.0000460300000000, -0.0005586000000000, -0.0000775500000000 ]  - [  -0.0000748200000000,  0.0002717000000000, -0.0004184400000000 ]  - [  -0.0047131600000000,  0.0045160100000000, -0.0001964400000000 ]  - [  -0.0000442200000000, -0.0036881300000000,  0.0000710600000000 ]  - [   0.0045200900000000,  0.0042114900000000,  0.0005781100000000 ]  - [  -0.0000733800000000,  0.0000272600000000,  0.0001255400000000 ]  - [  -0.0000453600000000, -0.0000561900000000,  0.0000806800000000 ]  - [  -0.0000171800000000,  0.0000270800000000,  0.0000349900000000 ]  - [   0.0005312400000000,  0.0001861900000000, -0.0000044700000000 ]  - [   0.0000537100000000, -0.0002872200000000, -0.0000033800000000 ]  - [  -0.0004266300000000,  0.0001848600000000, -0.0000034100000000 ]  - [   0.0000298600000000,  0.0000744500000000,  0.0000140500000000 ]  - [   0.0000513600000000, -0.0001496800000000, -0.0000024200000000 ]  - [   0.0000734300000000,  0.0000733200000000, -0.0000177100000000 ]  - [  -0.0002762900000000,  0.0001997100000000, -0.0013277400000000 ]  - [  -0.0000520700000000, -0.0002821100000000,  0.0000026400000000 ]  - [   0.0001704900000000,  0.0002001500000000,  0.0013308100000000 ]  - [  -0.0004129200000000,  0.0003050200000000, -0.0000883300000000 ]  - [  -0.0000535300000000, -0.0004206100000000,  0.0000034900000000 ]  - [   0.0003104400000000,  0.0003006800000000,  0.0000924300000000 ]  - [  -0.0001287600000000,  0.0001559200000000,  0.0003395800000000 ]  - [  -0.0000050600000000, -0.0002812900000000,  0.0002385200000000 ]  - [   0.0001239700000000,  0.0001531200000000,  0.0001355700000000 ]  - [  -0.0000983200000000,  0.0001056600000000,  0.0000449900000000 ]  - [  -0.0000040900000000, -0.0002160800000000,  0.0002392300000000 ]  - [   0.0000903000000000,  0.0001045000000000,  0.0004338300000000 ]  - [  -0.0004189000000000,  0.0002470900000000, -0.0003483900000000 ]  - [   0.0000035800000000, -0.0003432500000000, -0.0002399200000000 ]  - [   0.0004273900000000,  0.0002415900000000, -0.0001205000000000 ]  - [   0.0000631500000000,  0.0000782400000000, -0.0002241600000000 ]  - [   0.0000047100000000, -0.0001484200000000, -0.0002385600000000 ]  - [  -0.0000539000000000,  0.0000776100000000, -0.0002531700000000 ]  - [   0.0000498300000000,  0.0064678700000000, -0.0000543600000000 ]  - [  -0.0012239900000000, -0.0016270500000000, -0.0018281400000000 ]  - [   0.0013065900000000, -0.0016243700000000,  0.0016485400000000 ]  - [   0.0000451800000000,  0.0000605300000000, -0.0000798400000000 ]  - [   0.0000584700000000, -0.0000302400000000, -0.0000884600000000 ]  - [   0.0000318400000000, -0.0000305300000000, -0.0000707700000000 ]  - [  -0.0000442700000000,  0.0001385800000000,  0.0000796600000000 ]  - [  -0.0000557700000000, -0.0000686100000000,  0.0000964500000000 ]  - [  -0.0000342700000000, -0.0000696400000000,  0.0000629600000000 ]  - [  -0.0000444400000000,  0.0001808800000000,  0.0000816700000000 ]  - [   0.0000462900000000, -0.0000902200000000,  0.0004180300000000 ]  - [  -0.0001347600000000, -0.0000905300000000, -0.0002537100000000 ]  - [   0.0000228600000000,  0.0059570000000000,  0.0000030900000000 ]  - [  -0.0015932800000000, -0.0020023900000000,  0.0009389000000000 ]  - [   0.0016852200000000, -0.0019940900000000, -0.0009375700000000 ]  - [   0.0000509300000000,  0.0001693700000000, -0.0000030700000000 ]  - [   0.0001597400000000, -0.0000834800000000, -0.0000812600000000 ]  - [  -0.0000577500000000, -0.0000836400000000,  0.0000751700000000 ]  - [  -0.0000499400000000,  0.0000631500000000,  0.0000034600000000 ]  - [  -0.0000764200000000, -0.0000307700000000, -0.0000161600000000 ]  - [  -0.0000242500000000, -0.0000310400000000,  0.0000226800000000 ]  - [  -0.0000475500000000,  0.0028868000000000,  0.0000022100000000 ]  - [   0.0004057000000000, -0.0013706300000000,  0.0006230000000000 ]  - [  -0.0005034800000000, -0.0013666200000000, -0.0006125500000000 ]  - [   0.0000587300000000, -0.1120363500000000,  0.0012750000000000 ]  - [   0.0004003600000000,  0.0268084700000000,  0.0009185500000000 ]  - [  -0.0008602300000000,  0.0265324000000000, -0.0003857300000000 ]  - [  -0.0002294000000000, -0.0001923200000000,  0.0002670200000000 ]  - [  -0.0002790700000000,  0.0000957600000000,  0.0002761000000000 ]  - [  -0.0001794600000000,  0.0000987600000000,  0.0002581500000000 ]  - [   0.0002277200000000, -0.0004102900000000, -0.0002683800000000 ]  - [  -0.0000920600000000,  0.0002035000000000, -0.0001862400000000 ]  - [   0.0005494300000000,  0.0002040000000000, -0.0003478900000000 ]  - [   0.0002284100000000, -0.0064038800000000, -0.0002703400000000 ]  - [  -0.0001305700000000,  0.0031546400000000, -0.0016320300000000 ]  - [   0.0005863700000000,  0.0031520900000000,  0.0010876600000000 ]  - [  -0.0143808800000000, -0.0000379800000000, -0.0105673400000000 ]  - [   0.0001523400000000,  0.0039980400000000, -0.0002088200000000 ]  - [   0.0146020900000000, -0.0000422100000000,  0.0100906500000000 ]  - [   0.0001688900000000, -0.0000480800000000, -0.0001861600000000 ]  - [   0.0001547000000000,  0.0000956600000000, -0.0002048300000000 ]  - [   0.0001402600000000, -0.0000474400000000, -0.0002224800000000 ]  - [  -0.0006132300000000, -0.0002819000000000,  0.0005282700000000 ]  - [  -0.0001556600000000,  0.0005631400000000,  0.0002022200000000 ]  - [   0.0003030600000000, -0.0002817900000000, -0.0001227500000000 ]  - [   0.0075381900000000, -0.0005229400000000, -0.0141540100000000 ]  - [  -0.0001565100000000,  0.0037510600000000,  0.0001977900000000 ]  - [  -0.0078027500000000, -0.0005168600000000,  0.0144867300000000 ]  - [  -0.0003711300000000, -0.0001724700000000,  0.0003090300000000 ]  - [  -0.0002299700000000,  0.0003583700000000,  0.0002694600000000 ]  - [  -0.0000919200000000, -0.0001701700000000,  0.0002302800000000 ]  - [  -0.0002900000000000, -0.0003503100000000,  0.0000557300000000 ]  - [  -0.0002300200000000,  0.0007009400000000,  0.0002640800000000 ]  - [  -0.0001695400000000, -0.0003469900000000,  0.0004719300000000 ]  - [   0.0061119700000000, -0.0022483700000000,  0.0057045900000000 ]  - [   0.0002302800000000,  0.0038490500000000, -0.0002585600000000 ]  - [  -0.0056310900000000, -0.0021862000000000, -0.0062708000000000 ]  - [   0.0003619700000000, -0.0001128000000000, -0.0003870400000000 ]  - [   0.0002295100000000,  0.0002337500000000, -0.0002693200000000 ]  - [   0.0000947800000000, -0.0001103700000000, -0.0001491500000000 ]  - [   0.0001455700000000, -0.0004540600000000, -0.0001993000000000 ]  - [   0.0010971700000000,  0.0002534100000000, -0.0003995100000000 ]  - [  -0.0007804800000000,  0.0002590400000000, -0.0000032100000000 ]  - [   0.0001582600000000, -0.0010536600000000, -0.0002073500000000 ]  - [   0.0003253700000000,  0.0005268800000000,  0.0005116900000000 ]  - [  -0.0000121200000000,  0.0005273600000000, -0.0009223500000000 ]  - [  -0.0001583600000000, -0.0002923200000000,  0.0001952700000000 ]  - [   0.0002646300000000,  0.0001472300000000,  0.0004810200000000 ]  - [  -0.0005759900000000,  0.0001515900000000, -0.0000822900000000 ]  - [  -0.0001573800000000, -0.0004341100000000,  0.0002041900000000 ]  - [  -0.0006179700000000,  0.0002141200000000,  0.0001375500000000 ]  - [   0.0003018800000000,  0.0002160100000000,  0.0002707200000000 ]- atom:   97  displacement:    [  -0.0051027950040762,  0.0000000000000000,  0.0086000862290081 ]  forces:  - [  -0.0060919400000000, -0.0085568400000000,  0.0216446300000000 ]  - [  -0.0002629000000000,  0.0000000000000000,  0.0007518700000000 ]  - [  -0.0060919400000000,  0.0085568400000000,  0.0216446300000000 ]  - [   0.0006083900000000, -0.0000097200000000, -0.0014421100000000 ]  - [   0.0005459100000000,  0.0000000000000000, -0.0012884600000000 ]  - [   0.0006083900000000,  0.0000097200000000, -0.0014421100000000 ]  - [   0.0001887000000000, -0.0002003400000000,  0.0004211700000000 ]  - [   0.0000532600000000,  0.0000000000000000,  0.0004819200000000 ]  - [   0.0001887000000000,  0.0002003400000000,  0.0004211700000000 ]  - [  -0.0029154500000000,  0.0008897300000000, -0.0014880400000000 ]  - [  -0.0010023200000000,  0.0000000000000000,  0.0005518300000000 ]  - [  -0.0029154500000000, -0.0008897300000000, -0.0014880400000000 ]  - [   0.0016404100000000,  0.0000000000000000,  0.0004301200000000 ]  - [   0.0009535500000000,  0.0000822800000000,  0.0000156100000000 ]  - [   0.0009535500000000, -0.0000822800000000,  0.0000156100000000 ]  - [  -0.0002789300000000,  0.0000000000000000, -0.0022931100000000 ]  - [  -0.0001118700000000, -0.0000231200000000, -0.0018796700000000 ]  - [  -0.0001118700000000,  0.0000231200000000, -0.0018796700000000 ]  - [  -0.0014640400000000,  0.0000000000000000, -0.0020359000000000 ]  - [  -0.0010340700000000, -0.0015104200000000, -0.0009409700000000 ]  - [  -0.0010340700000000,  0.0015104200000000, -0.0009409700000000 ]  - [   0.0007859800000000,  0.0000000000000000, -0.0002000300000000 ]  - [   0.0003793500000000,  0.0003318800000000,  0.0002886200000000 ]  - [   0.0003793500000000, -0.0003318800000000,  0.0002886200000000 ]  - [  -0.0123588700000000,  0.0000000000000000,  0.0063987600000000 ]  - [  -0.0009962400000000,  0.0004250700000000,  0.0015977100000000 ]  - [  -0.0009962400000000, -0.0004250700000000,  0.0015977100000000 ]  - [   0.0000046300000000,  0.0000000000000000, -0.0000407700000000 ]  - [  -0.0000060100000000, -0.0000088900000000, -0.0000087700000000 ]  - [  -0.0000060100000000,  0.0000088900000000, -0.0000087700000000 ]  - [   0.0006165200000000,  0.0000000000000000, -0.0007210700000000 ]  - [   0.0003536200000000, -0.0000800200000000, -0.0004261900000000 ]  - [   0.0003536200000000,  0.0000800200000000, -0.0004261900000000 ]  - [  -0.0006212600000000,  0.0000000000000000, -0.0021330300000000 ]  - [  -0.0000042100000000,  0.0005209200000000, -0.0007501200000000 ]  - [  -0.0000042100000000, -0.0005209200000000, -0.0007501200000000 ]  - [   0.0004877700000000, -0.0000895000000000,  0.0003582100000000 ]  - [   0.0002506000000000,  0.0000000000000000,  0.0003748400000000 ]  - [   0.0004877700000000,  0.0000895000000000,  0.0003582100000000 ]  - [  -0.0003111400000000,  0.0001278500000000, -0.0010952000000000 ]  - [  -0.0002011100000000,  0.0000000000000000, -0.0009375600000000 ]  - [  -0.0003111400000000, -0.0001278500000000, -0.0010952000000000 ]  - [  -0.0077779700000000,  0.0037680400000000,  0.0097412500000000 ]  - [  -0.0004147300000000,  0.0000000000000000,  0.0018560300000000 ]  - [  -0.0077779700000000, -0.0037680400000000,  0.0097412500000000 ]  - [  -0.0000231400000000,  0.0000130900000000, -0.0005545300000000 ]  - [  -0.0000591500000000,  0.0000000000000000, -0.0004188600000000 ]  - [  -0.0000231400000000, -0.0000130900000000, -0.0005545300000000 ]  - [   0.0003391600000000, -0.0000747800000000,  0.0003301700000000 ]  - [  -0.0000242800000000,  0.0000000000000000,  0.0001497100000000 ]  - [   0.0003391600000000,  0.0000747800000000,  0.0003301700000000 ]  - [  -0.0001613300000000, -0.0000695600000000, -0.0003945200000000 ]  - [  -0.0001309900000000,  0.0000000000000000, -0.0003098900000000 ]  - [  -0.0001613300000000,  0.0000695600000000, -0.0003945200000000 ]  - [  -0.0000147000000000, -0.0001140000000000, -0.0011027100000000 ]  - [   0.0001025100000000,  0.0000000000000000, -0.0001920000000000 ]  - [  -0.0000147000000000,  0.0001140000000000, -0.0011027100000000 ]  - [   0.0014075200000000,  0.0006682100000000, -0.0005560400000000 ]  - [   0.0003748000000000,  0.0000000000000000, -0.0001106100000000 ]  - [   0.0014075200000000, -0.0006682100000000, -0.0005560400000000 ]  - [   0.0008758200000000,  0.0004348700000000,  0.0006703200000000 ]  - [   0.0002085500000000,  0.0000000000000000,  0.0005659700000000 ]  - [   0.0008758200000000, -0.0004348700000000,  0.0006703200000000 ]  - [  -0.0001442600000000, -0.0000798800000000, -0.0003657700000000 ]  - [  -0.0000542300000000,  0.0000000000000000, -0.0001882200000000 ]  - [  -0.0001442600000000,  0.0000798800000000, -0.0003657700000000 ]  - [  -0.0006718400000000, -0.0002034600000000, -0.0006294900000000 ]  - [  -0.0002585300000000,  0.0000000000000000, -0.0003016800000000 ]  - [  -0.0006718400000000,  0.0002034600000000, -0.0006294900000000 ]  - [   0.0000865300000000,  0.0000300400000000, -0.0002530200000000 ]  - [   0.0000177100000000,  0.0000000000000000, -0.0002998400000000 ]  - [   0.0000865300000000, -0.0000300400000000, -0.0002530200000000 ]  - [  -0.0002944600000000,  0.0000000000000000,  0.0034807200000000 ]  - [  -0.0006110700000000, -0.0011330100000000,  0.0012533000000000 ]  - [  -0.0006110700000000,  0.0011330100000000,  0.0012533000000000 ]  - [   0.0000272600000000,  0.0000000000000000, -0.0006194300000000 ]  - [   0.0000257100000000,  0.0000340500000000, -0.0005619900000000 ]  - [   0.0000257100000000, -0.0000340500000000, -0.0005619900000000 ]  - [   0.0001885900000000,  0.0000000000000000,  0.0006756200000000 ]  - [   0.0001627000000000, -0.0000103500000000,  0.0006097600000000 ]  - [   0.0001627000000000,  0.0000103500000000,  0.0006097600000000 ]  - [  -0.0004578800000000,  0.0000000000000000, -0.0007738500000000 ]  - [  -0.0003693800000000, -0.0000032200000000, -0.0007144400000000 ]  - [  -0.0003693800000000,  0.0000032200000000, -0.0007144400000000 ]  - [  -0.0063845800000000,  0.0000000000000000,  0.0049065000000000 ]  - [   0.0003591600000000,  0.0010203400000000,  0.0001869000000000 ]  - [   0.0003591600000000, -0.0010203400000000,  0.0001869000000000 ]  - [   0.0003886200000000,  0.0000000000000000, -0.0004092100000000 ]  - [   0.0003043500000000, -0.0000695800000000, -0.0003126000000000 ]  - [   0.0003043500000000,  0.0000695800000000, -0.0003126000000000 ]  - [  -0.0002005100000000,  0.0000000000000000, -0.0000905700000000 ]  - [  -0.0001732300000000, -0.0000266400000000, -0.0000601200000000 ]  - [  -0.0001732300000000,  0.0000266400000000, -0.0000601200000000 ]  - [  -0.0006432400000000,  0.0000000000000000,  0.0009131200000000 ]  - [  -0.0003535700000000,  0.0003319400000000,  0.0001082700000000 ]  - [  -0.0003535700000000, -0.0003319400000000,  0.0001082700000000 ]  - [   0.0298116200000000,  0.0000000000000000, -0.0927989600000000 ]  - [   0.0011628400000000, -0.0002541000000000, -0.0097666400000000 ]  - [   0.0011628400000000,  0.0002541000000000, -0.0097666400000000 ]  - [  -0.0004489200000000,  0.0000000000000000,  0.0015797400000000 ]  - [  -0.0003600100000000, -0.0000326900000000,  0.0014570600000000 ]  - [  -0.0003600100000000,  0.0000326900000000,  0.0014570600000000 ]  - [  -0.0007663300000000,  0.0000000000000000, -0.0007887600000000 ]  - [  -0.0003690300000000,  0.0002336300000000, -0.0008735800000000 ]  - [  -0.0003690300000000, -0.0002336300000000, -0.0008735800000000 ]  - [   0.0020464100000000,  0.0000000000000000,  0.0023270700000000 ]  - [   0.0010008900000000, -0.0009851600000000,  0.0014706100000000 ]  - [   0.0010008900000000,  0.0009851600000000,  0.0014706100000000 ]  - [   0.0079978500000000,  0.0003729600000000, -0.0013933600000000 ]  - [   0.0011377000000000,  0.0000000000000000, -0.0013726700000000 ]  - [   0.0079978500000000, -0.0003729600000000, -0.0013933600000000 ]  - [   0.0002330400000000,  0.0000101900000000,  0.0004045900000000 ]  - [   0.0002357000000000,  0.0000000000000000,  0.0003323300000000 ]  - [   0.0002330400000000, -0.0000101900000000,  0.0004045900000000 ]  - [  -0.0011634300000000,  0.0002964200000000,  0.0012817400000000 ]  - [  -0.0007792700000000,  0.0000000000000000,  0.0009292600000000 ]  - [  -0.0011634300000000, -0.0002964200000000,  0.0012817400000000 ]  - [  -0.0003004300000000, -0.0087876500000000,  0.0124545000000000 ]  - [   0.0003810500000000,  0.0000000000000000,  0.0004301600000000 ]  - [  -0.0003004300000000,  0.0087876500000000,  0.0124545000000000 ]  - [  -0.0013694200000000, -0.0001049600000000, -0.0010569700000000 ]  - [  -0.0005784000000000,  0.0000000000000000, -0.0008491100000000 ]  - [  -0.0013694200000000,  0.0001049600000000, -0.0010569700000000 ]  - [   0.0004048400000000,  0.0001484400000000,  0.0020741700000000 ]  - [   0.0002653500000000,  0.0000000000000000,  0.0019125300000000 ]  - [   0.0004048400000000, -0.0001484400000000,  0.0020741700000000 ]  - [   0.0053095300000000,  0.0021543800000000,  0.0055361400000000 ]  - [   0.0006269800000000,  0.0000000000000000, -0.0004921300000000 ]  - [   0.0053095300000000, -0.0021543800000000,  0.0055361400000000 ]  - [  -0.0005470600000000, -0.0001701000000000,  0.0009919300000000 ]  - [   0.0000446800000000,  0.0000000000000000,  0.0006909400000000 ]  - [  -0.0005470600000000,  0.0001701000000000,  0.0009919300000000 ]  - [  -0.0055075800000000,  0.0000000000000000, -0.0000418200000000 ]  - [  -0.0011762800000000, -0.0006733400000000, -0.0006786400000000 ]  - [  -0.0011762800000000,  0.0006733400000000, -0.0006786400000000 ]  - [   0.0004761900000000,  0.0000000000000000,  0.0021454500000000 ]  - [   0.0003854200000000,  0.0003893500000000,  0.0014499400000000 ]  - [   0.0003854200000000, -0.0003893500000000,  0.0014499400000000 ]  - [   0.0009843300000000,  0.0000000000000000,  0.0016602600000000 ]  - [   0.0006108400000000,  0.0001666200000000,  0.0012544200000000 ]  - [   0.0006108400000000, -0.0001666200000000,  0.0012544200000000 ]  - [  -0.0005934700000000,  0.0000000000000000, -0.0002186700000000 ]  - [  -0.0002952000000000,  0.0001132400000000, -0.0001048000000000 ]  - [  -0.0002952000000000, -0.0001132400000000, -0.0001048000000000 ]- atom:   97  displacement:    [   0.0051027950040762,  0.0000000000000000, -0.0086000862290081 ]  forces:  - [   0.0066118500000000,  0.0090184400000000, -0.0230027300000000 ]  - [   0.0008784600000000,  0.0000000000000000, -0.0018244800000000 ]  - [   0.0066118500000000, -0.0090184400000000, -0.0230027300000000 ]  - [   0.0000039800000000,  0.0000094300000000,  0.0003614900000000 ]  - [   0.0000661900000000,  0.0000000000000000,  0.0002089700000000 ]  - [   0.0000039800000000, -0.0000094300000000,  0.0003614900000000 ]  - [  -0.0007964300000000,  0.0001985200000000,  0.0006572400000000 ]  - [  -0.0006623300000000,  0.0000000000000000,  0.0005968500000000 ]  - [  -0.0007964300000000, -0.0001985200000000,  0.0006572400000000 ]  - [   0.0023170300000000, -0.0009119900000000,  0.0025508000000000 ]  - [   0.0003896800000000,  0.0000000000000000,  0.0005163500000000 ]  - [   0.0023170300000000,  0.0009119900000000,  0.0025508000000000 ]  - [  -0.0010345100000000,  0.0000000000000000, -0.0015061200000000 ]  - [  -0.0003460600000000, -0.0000826500000000, -0.0010916600000000 ]  - [  -0.0003460600000000,  0.0000826500000000, -0.0010916600000000 ]  - [   0.0008868500000000,  0.0000000000000000,  0.0012096500000000 ]  - [   0.0007207200000000,  0.0000228800000000,  0.0007985400000000 ]  - [   0.0007207200000000, -0.0000228800000000,  0.0007985400000000 ]  - [   0.0008433300000000,  0.0000000000000000,  0.0031088000000000 ]  - [   0.0004207500000000,  0.0015062400000000,  0.0020176000000000 ]  - [   0.0004207500000000, -0.0015062400000000,  0.0020176000000000 ]  - [  -0.0014001900000000,  0.0000000000000000,  0.0012778300000000 ]  - [  -0.0009921100000000, -0.0003328900000000,  0.0007882000000000 ]  - [  -0.0009921100000000,  0.0003328900000000,  0.0007882000000000 ]  - [   0.0121288800000000,  0.0000000000000000, -0.0059880600000000 ]  - [   0.0009844500000000, -0.0004264900000000, -0.0011101000000000 ]  - [   0.0009844500000000,  0.0004264900000000, -0.0011101000000000 ]  - [  -0.0000120100000000,  0.0000000000000000,  0.0005174500000000 ]  - [  -0.0000014200000000,  0.0000087900000000,  0.0004853300000000 ]  - [  -0.0000014200000000, -0.0000087900000000,  0.0004853300000000 ]  - [  -0.0006039000000000,  0.0000000000000000,  0.0002396000000000 ]  - [  -0.0003446300000000,  0.0000792000000000, -0.0000514500000000 ]  - [  -0.0003446300000000, -0.0000792000000000, -0.0000514500000000 ]  - [   0.0006388400000000,  0.0000000000000000,  0.0016717400000000 ]  - [   0.0000110700000000, -0.0005188600000000,  0.0002711100000000 ]  - [   0.0000110700000000,  0.0005188600000000,  0.0002711100000000 ]  - [  -0.0003976100000000,  0.0000892800000000, -0.0005150600000000 ]  - [  -0.0001609900000000,  0.0000000000000000, -0.0005324200000000 ]  - [  -0.0003976100000000, -0.0000892800000000, -0.0005150600000000 ]  - [   0.0004003100000000, -0.0001280200000000,  0.0009330800000000 ]  - [   0.0002893900000000,  0.0000000000000000,  0.0007762100000000 ]  - [   0.0004003100000000,  0.0001280200000000,  0.0009330800000000 ]  - [   0.0075504100000000, -0.0034075700000000, -0.0092373200000000 ]  - [   0.0003229900000000,  0.0000000000000000, -0.0016890100000000 ]  - [   0.0075504100000000,  0.0034075700000000, -0.0092373200000000 ]  - [  -0.0000664000000000, -0.0000132300000000,  0.0007127200000000 ]  - [  -0.0000301000000000,  0.0000000000000000,  0.0005766300000000 ]  - [  -0.0000664000000000,  0.0000132300000000,  0.0007127200000000 ]  - [  -0.0002431500000000,  0.0000757200000000, -0.0003369000000000 ]  - [   0.0001253300000000,  0.0000000000000000, -0.0001556500000000 ]  - [  -0.0002431500000000, -0.0000757200000000, -0.0003369000000000 ]  - [   0.0002633700000000,  0.0000694400000000,  0.0003878300000000 ]  - [   0.0002328700000000,  0.0000000000000000,  0.0003035000000000 ]  - [   0.0002633700000000, -0.0000694400000000,  0.0003878300000000 ]  - [  -0.0000892200000000,  0.0001114500000000,  0.0011027300000000 ]  - [  -0.0002056000000000,  0.0000000000000000,  0.0001981500000000 ]  - [  -0.0000892200000000, -0.0001114500000000,  0.0011027300000000 ]  - [  -0.0015125000000000, -0.0006685500000000,  0.0005630000000000 ]  - [  -0.0004742900000000,  0.0000000000000000,  0.0001159700000000 ]  - [  -0.0015125000000000,  0.0006685500000000,  0.0005630000000000 ]  - [  -0.0008894900000000, -0.0004386800000000, -0.0001929200000000 ]  - [  -0.0002155900000000,  0.0000000000000000, -0.0000882100000000 ]  - [  -0.0008894900000000,  0.0004386800000000, -0.0001929200000000 ]  - [   0.0001354200000000,  0.0000795500000000,  0.0008407000000000 ]  - [   0.0000457300000000,  0.0000000000000000,  0.0006642100000000 ]  - [   0.0001354200000000, -0.0000795500000000,  0.0008407000000000 ]  - [   0.0006766400000000,  0.0002043300000000,  0.0001548600000000 ]  - [   0.0002653200000000,  0.0000000000000000, -0.0001751000000000 ]  - [   0.0006766400000000, -0.0002043300000000,  0.0001548600000000 ]  - [  -0.0000799700000000, -0.0000298400000000, -0.0002250100000000 ]  - [  -0.0000106200000000,  0.0000000000000000, -0.0001778800000000 ]  - [  -0.0000799700000000,  0.0000298400000000, -0.0002250100000000 ]  - [   0.0003245800000000,  0.0000000000000000, -0.0036668800000000 ]  - [   0.0006942500000000,  0.0011282100000000, -0.0014054600000000 ]  - [   0.0006942500000000, -0.0011282100000000, -0.0014054600000000 ]  - [   0.0000615100000000,  0.0000000000000000,  0.0004587400000000 ]  - [   0.0000630100000000, -0.0000341600000000,  0.0004015300000000 ]  - [   0.0000630100000000,  0.0000341600000000,  0.0004015300000000 ]  - [  -0.0002774600000000,  0.0000000000000000, -0.0005152000000000 ]  - [  -0.0002518900000000,  0.0000100600000000, -0.0004493500000000 ]  - [  -0.0002518900000000, -0.0000100600000000, -0.0004493500000000 ]  - [   0.0003679200000000,  0.0000000000000000,  0.0009298600000000 ]  - [   0.0002796000000000,  0.0000030900000000,  0.0008709000000000 ]  - [   0.0002796000000000, -0.0000030900000000,  0.0008709000000000 ]  - [   0.0071454900000000,  0.0000000000000000, -0.0053653300000000 ]  - [  -0.0002470400000000, -0.0010225800000000, -0.0001907500000000 ]  - [  -0.0002470400000000,  0.0010225800000000, -0.0001907500000000 ]  - [  -0.0002849600000000,  0.0000000000000000,  0.0004015000000000 ]  - [  -0.0002013600000000,  0.0000690000000000,  0.0003057500000000 ]  - [  -0.0002013600000000, -0.0000690000000000,  0.0003057500000000 ]  - [   0.0000988400000000,  0.0000000000000000,  0.0000963000000000 ]  - [   0.0000715200000000,  0.0000264200000000,  0.0000659000000000 ]  - [   0.0000715200000000, -0.0000264200000000,  0.0000659000000000 ]  - [   0.0005349400000000,  0.0000000000000000, -0.0009177300000000 ]  - [   0.0002504500000000, -0.0003307900000000, -0.0001039200000000 ]  - [   0.0002504500000000,  0.0003307900000000, -0.0001039200000000 ]  - [  -0.0303247100000000,  0.0000000000000000,  0.0939937300000000 ]  - [  -0.0016166100000000,  0.0002249400000000,  0.0102403200000000 ]  - [  -0.0016166100000000, -0.0002249400000000,  0.0102403200000000 ]  - [  -0.0000108800000000,  0.0000000000000000, -0.0010432900000000 ]  - [  -0.0000993100000000,  0.0000335000000000, -0.0009205800000000 ]  - [  -0.0000993100000000, -0.0000335000000000, -0.0009205800000000 ]  - [   0.0012186600000000,  0.0000000000000000,  0.0002519300000000 ]  - [   0.0008258200000000, -0.0002325500000000,  0.0003378300000000 ]  - [   0.0008258200000000,  0.0002325500000000,  0.0003378300000000 ]  - [  -0.0015959000000000,  0.0000000000000000, -0.0028583700000000 ]  - [  -0.0005400000000000,  0.0009883900000000, -0.0019959500000000 ]  - [  -0.0005400000000000, -0.0009883900000000, -0.0019959500000000 ]  - [  -0.0076542400000000, -0.0003843800000000,  0.0010416000000000 ]  - [  -0.0008070000000000,  0.0000000000000000,  0.0009676100000000 ]  - [  -0.0076542400000000,  0.0003843800000000,  0.0010416000000000 ]  - [   0.0000796400000000, -0.0000100300000000, -0.0008109200000000 ]  - [   0.0000770300000000,  0.0000000000000000, -0.0007390300000000 ]  - [   0.0000796400000000,  0.0000100300000000, -0.0008109200000000 ]  - [   0.0008456300000000, -0.0002932500000000, -0.0008701300000000 ]  - [   0.0004636700000000,  0.0000000000000000, -0.0005210000000000 ]  - [   0.0008456300000000,  0.0002932500000000, -0.0008701300000000 ]  - [  -0.0000199300000000,  0.0089425100000000, -0.0121873700000000 ]  - [  -0.0007091700000000,  0.0000000000000000, -0.0000120200000000 ]  - [  -0.0000199300000000, -0.0089425100000000, -0.0121873700000000 ]  - [   0.0009158600000000,  0.0001050400000000,  0.0015862300000000 ]  - [   0.0001202100000000,  0.0000000000000000,  0.0013793800000000 ]  - [   0.0009158600000000, -0.0001050400000000,  0.0015862300000000 ]  - [  -0.0008613300000000, -0.0001480700000000, -0.0015354900000000 ]  - [  -0.0007223800000000,  0.0000000000000000, -0.0013745100000000 ]  - [  -0.0008613300000000,  0.0001480700000000, -0.0015354900000000 ]  - [  -0.0048105900000000, -0.0021520300000000, -0.0060535500000000 ]  - [  -0.0001675300000000,  0.0000000000000000, -0.0000456800000000 ]  - [  -0.0048105900000000,  0.0021520300000000, -0.0060535500000000 ]  - [   0.0010081400000000,  0.0001707000000000, -0.0015234900000000 ]  - [   0.0004134300000000,  0.0000000000000000, -0.0012217100000000 ]  - [   0.0010081400000000, -0.0001707000000000, -0.0015234900000000 ]  - [   0.0058319100000000,  0.0000000000000000, -0.0003737000000000 ]  - [   0.0014881200000000,  0.0006767200000000,  0.0002699100000000 ]  - [   0.0014881200000000, -0.0006767200000000,  0.0002699100000000 ]  - [  -0.0001594900000000,  0.0000000000000000, -0.0025433700000000 ]  - [  -0.0000690500000000, -0.0003871200000000, -0.0018527400000000 ]  - [  -0.0000690500000000,  0.0003871200000000, -0.0018527400000000 ]  - [  -0.0012938800000000,  0.0000000000000000, -0.0012531700000000 ]  - [  -0.0009222600000000, -0.0001668700000000, -0.0008472300000000 ]  - [  -0.0009222600000000,  0.0001668700000000, -0.0008472300000000 ]  - [   0.0002878500000000,  0.0000000000000000,  0.0006287800000000 ]  - [  -0.0000136500000000, -0.0001150100000000,  0.0005139600000000 ]  - [  -0.0000136500000000,  0.0001150100000000,  0.0005139600000000 ]- atom:  109  displacement:    [   0.0099998977798981,  0.0000000000000000,  0.0000452149487271 ]  forces:  - [   0.0488357400000000,  0.0000000000000000,  0.0111183700000000 ]  - [   0.0033925100000000, -0.0042842000000000,  0.0010631900000000 ]  - [   0.0033925100000000,  0.0042842000000000,  0.0010631900000000 ]  - [   0.0002281800000000,  0.0000000000000000, -0.0005009900000000 ]  - [   0.0002286800000000,  0.0000077500000000, -0.0005351300000000 ]  - [   0.0002286800000000, -0.0000077500000000, -0.0005351300000000 ]  - [  -0.0003190700000000,  0.0000000000000000,  0.0012662300000000 ]  - [  -0.0002794000000000,  0.0001306300000000,  0.0010445100000000 ]  - [  -0.0002794000000000, -0.0001306300000000,  0.0010445100000000 ]  - [   0.0371553600000000,  0.0000000000000000, -0.0160984800000000 ]  - [   0.0032566800000000, -0.0019570600000000, -0.0001748400000000 ]  - [   0.0032566800000000,  0.0019570600000000, -0.0001748400000000 ]  - [  -0.0028750400000000, -0.0021790200000000, -0.0000493200000000 ]  - [  -0.0028750400000000,  0.0021790200000000, -0.0000493200000000 ]  - [  -0.0008947400000000,  0.0000000000000000, -0.0005586200000000 ]  - [   0.0003880700000000, -0.0000040900000000, -0.0008547000000000 ]  - [   0.0003880700000000,  0.0000040900000000, -0.0008547000000000 ]  - [   0.0003758700000000,  0.0000000000000000, -0.0006963200000000 ]  - [  -0.0003722000000000,  0.0002066900000000, -0.0002198200000000 ]  - [  -0.0003722000000000, -0.0002066900000000, -0.0002198200000000 ]  - [  -0.0003690100000000,  0.0000000000000000, -0.0000011200000000 ]  - [  -0.0026564700000000, -0.0002439500000000, -0.0002303400000000 ]  - [  -0.0026564700000000,  0.0002439500000000, -0.0002303400000000 ]  - [  -0.0014777400000000,  0.0000000000000000,  0.0004717800000000 ]  - [   0.0079618400000000,  0.0023269500000000, -0.0034376700000000 ]  - [   0.0079618400000000, -0.0023269500000000, -0.0034376700000000 ]  - [   0.0009489600000000,  0.0000000000000000,  0.0004738300000000 ]  - [  -0.0001584100000000, -0.0000054100000000,  0.0003237400000000 ]  - [  -0.0001584100000000,  0.0000054100000000,  0.0003237400000000 ]  - [  -0.0001365400000000,  0.0000000000000000,  0.0003004400000000 ]  - [   0.0001603900000000, -0.0000267200000000, -0.0001170800000000 ]  - [   0.0001603900000000,  0.0000267200000000, -0.0001170800000000 ]  - [   0.0001544000000000,  0.0000000000000000, -0.0001882000000000 ]  - [  -0.0004677200000000,  0.0018367300000000,  0.0008691200000000 ]  - [  -0.0004677200000000, -0.0018367300000000,  0.0008691200000000 ]  - [  -0.0000583600000000,  0.0000000000000000,  0.0000022200000000 ]  - [  -0.0000858900000000,  0.0000000000000000,  0.0011198200000000 ]  - [   0.0001094200000000,  0.0000981500000000,  0.0003502700000000 ]  - [   0.0001094200000000, -0.0000981500000000,  0.0003502700000000 ]  - [   0.0003472300000000,  0.0000000000000000,  0.0010303600000000 ]  - [   0.0001850400000000, -0.0003773100000000,  0.0006685000000000 ]  - [   0.0001850400000000,  0.0003773100000000,  0.0006685000000000 ]  - [   0.0001211400000000,  0.0000000000000000, -0.0020694800000000 ]  - [   0.0005808000000000, -0.0005997700000000, -0.0008222200000000 ]  - [   0.0005808000000000,  0.0005997700000000, -0.0008222200000000 ]  - [  -0.0004191600000000,  0.0000000000000000, -0.0001184800000000 ]  - [  -0.0003472400000000,  0.0000025700000000, -0.0000624100000000 ]  - [  -0.0003472400000000, -0.0000025700000000, -0.0000624100000000 ]  - [  -0.0072062500000000,  0.0000000000000000, -0.0005538600000000 ]  - [  -0.0002793500000000,  0.0006927200000000,  0.0002310300000000 ]  - [  -0.0002793500000000, -0.0006927200000000,  0.0002310300000000 ]  - [  -0.0000509700000000,  0.0000000000000000,  0.0000993300000000 ]  - [  -0.0000612800000000, -0.0000038000000000,  0.0000505900000000 ]  - [  -0.0000612800000000,  0.0000038000000000,  0.0000505900000000 ]  - [   0.0001346400000000,  0.0000000000000000, -0.0003604000000000 ]  - [   0.0001372700000000, -0.0000081000000000, -0.0001748300000000 ]  - [   0.0001372700000000,  0.0000081000000000, -0.0001748300000000 ]  - [  -0.0013446700000000,  0.0000000000000000,  0.0000795000000000 ]  - [  -0.0010626400000000, -0.0000017800000000,  0.0000936500000000 ]  - [  -0.0010626400000000,  0.0000017800000000,  0.0000936500000000 ]  - [  -0.0010589800000000,  0.0000000000000000,  0.0001550800000000 ]  - [  -0.0007249200000000,  0.0000882400000000,  0.0002696800000000 ]  - [  -0.0007249200000000, -0.0000882400000000,  0.0002696800000000 ]  - [   0.0001353400000000,  0.0000000000000000,  0.0000578300000000 ]  - [   0.0001181100000000, -0.0000049900000000,  0.0001124100000000 ]  - [   0.0001181100000000,  0.0000049900000000,  0.0001124100000000 ]  - [  -0.0002188800000000,  0.0000000000000000, -0.0003839500000000 ]  - [  -0.0001607600000000, -0.0000318600000000, -0.0003249700000000 ]  - [  -0.0001607600000000,  0.0000318600000000, -0.0003249700000000 ]  - [  -0.0011689500000000,  0.0000000000000000, -0.0011867100000000 ]  - [  -0.0003859500000000,  0.0004517100000000, -0.0005976800000000 ]  - [  -0.0003859500000000, -0.0004517100000000, -0.0005976800000000 ]  - [  -0.0005393300000000,  0.0001525800000000, -0.0011263200000000 ]  - [  -0.0005393300000000, -0.0001525800000000, -0.0011263200000000 ]  - [  -0.0001489800000000,  0.0000000000000000, -0.0004054000000000 ]  - [  -0.0002249200000000, -0.0000872900000000, -0.0005045400000000 ]  - [  -0.0002249200000000,  0.0000872900000000, -0.0005045400000000 ]  - [  -0.0001464900000000,  0.0000000000000000, -0.0004303000000000 ]  - [  -0.0001681400000000, -0.0002219700000000,  0.0005675200000000 ]  - [  -0.0001681400000000,  0.0002219700000000,  0.0005675200000000 ]  - [  -0.0001491500000000,  0.0000000000000000,  0.0004379000000000 ]  - [   0.0008967300000000,  0.0000639100000000, -0.0003924000000000 ]  - [   0.0008967300000000, -0.0000639100000000, -0.0003924000000000 ]  - [   0.0003556400000000,  0.0000000000000000,  0.0000561200000000 ]  - [  -0.0022657100000000,  0.0017759200000000,  0.0000672600000000 ]  - [  -0.0022657100000000, -0.0017759200000000,  0.0000672600000000 ]  - [  -0.0006680800000000,  0.0000000000000000,  0.0000025200000000 ]  - [   0.0002057900000000, -0.0000007000000000, -0.0000535300000000 ]  - [   0.0002057900000000,  0.0000007000000000, -0.0000535300000000 ]  - [   0.0001922100000000,  0.0000000000000000, -0.0000529400000000 ]  - [  -0.0002667500000000, -0.0000039100000000,  0.0001464100000000 ]  - [  -0.0002667500000000,  0.0000039100000000,  0.0001464100000000 ]  - [  -0.0002477600000000,  0.0000000000000000,  0.0001112100000000 ]  - [   0.0112736700000000,  0.0051059000000000,  0.0053660500000000 ]  - [   0.0112736700000000, -0.0051059000000000,  0.0053660500000000 ]  - [   0.0011738600000000,  0.0000000000000000, -0.0000650500000000 ]  - [   0.0008639500000000, -0.0145789000000000,  0.0100553400000000 ]  - [   0.0008639500000000,  0.0145789000000000,  0.0100553400000000 ]  - [  -0.0007578100000000,  0.0000000000000000,  0.0010834700000000 ]  - [   0.0001474700000000,  0.0000138700000000,  0.0005824200000000 ]  - [   0.0001474700000000, -0.0000138700000000,  0.0005824200000000 ]  - [   0.0000610500000000,  0.0000000000000000,  0.0005338800000000 ]  - [   0.0002454500000000,  0.0004546800000000, -0.0014185900000000 ]  - [   0.0002454500000000, -0.0004546800000000, -0.0014185900000000 ]  - [   0.0001824700000000,  0.0000000000000000, -0.0010140300000000 ]  - [  -0.0057179800000000, -0.0075928300000000, -0.0038773400000000 ]  - [  -0.0057179800000000,  0.0075928300000000, -0.0038773400000000 ]  - [  -0.0009701500000000,  0.0000000000000000, -0.0003422700000000 ]  - [  -0.1431536500000000,  0.0000000000000000,  0.0054996900000000 ]  - [  -0.0093467600000000, -0.0019766200000000, -0.0012978600000000 ]  - [  -0.0093467600000000,  0.0019766200000000, -0.0012978600000000 ]  - [   0.0005686600000000,  0.0000000000000000, -0.0005642400000000 ]  - [   0.0005182300000000,  0.0000092800000000, -0.0005002200000000 ]  - [   0.0005182300000000, -0.0000092800000000, -0.0005002200000000 ]  - [  -0.0005734500000000,  0.0000000000000000,  0.0000370000000000 ]  - [  -0.0004907400000000, -0.0000383200000000,  0.0000921400000000 ]  - [  -0.0004907400000000,  0.0000383200000000,  0.0000921400000000 ]  - [   0.0362739600000000,  0.0000000000000000, -0.0145104100000000 ]  - [   0.0010495600000000,  0.0020612500000000, -0.0010073100000000 ]  - [   0.0010495600000000, -0.0020612500000000, -0.0010073100000000 ]  - [   0.0047925300000000,  0.0000000000000000, -0.0033177700000000 ]  - [   0.0005510600000000, -0.0009329800000000, -0.0008201400000000 ]  - [   0.0005510600000000,  0.0009329800000000, -0.0008201400000000 ]  - [  -0.0010945900000000,  0.0000000000000000,  0.0001383100000000 ]  - [  -0.0007787100000000, -0.0001729900000000,  0.0002157600000000 ]  - [  -0.0007787100000000,  0.0001729900000000,  0.0002157600000000 ]  - [   0.0008321600000000,  0.0000000000000000,  0.0014226300000000 ]  - [   0.0003793000000000,  0.0004215300000000,  0.0007189200000000 ]  - [   0.0003793000000000, -0.0004215300000000,  0.0007189200000000 ]  - [   0.0023330900000000,  0.0000000000000000,  0.0004655800000000 ]  - [   0.0014330400000000, -0.0004575600000000,  0.0002791300000000 ]  - [   0.0014330400000000,  0.0004575600000000,  0.0002791300000000 ]  - [   0.0032437800000000, -0.0000205300000000,  0.0000212900000000 ]  - [   0.0032437800000000,  0.0000205300000000,  0.0000212900000000 ]  - [   0.0019231200000000,  0.0000000000000000, -0.0000810600000000 ]  - [  -0.0001220400000000, -0.0000339100000000,  0.0003212800000000 ]  - [  -0.0001220400000000,  0.0000339100000000,  0.0003212800000000 ]  - [  -0.0001382500000000,  0.0000000000000000,  0.0002055500000000 ]  - [   0.0001660700000000, -0.0000491100000000,  0.0004163200000000 ]  - [   0.0001660700000000,  0.0000491100000000,  0.0004163200000000 ]  - [   0.0001261700000000,  0.0000000000000000,  0.0003576100000000 ]  - [   0.0047654700000000,  0.0035581600000000,  0.0028666900000000 ]  - [   0.0047654700000000, -0.0035581600000000,  0.0028666900000000 ]  - [   0.0005939400000000,  0.0000000000000000,  0.0005859200000000 ]- atom:  109  displacement:    [  -0.0099998977798981,  0.0000000000000000, -0.0000452149487271 ]  forces:  - [  -0.0455576500000000,  0.0000000000000000, -0.0108617200000000 ]  - [  -0.0027623800000000,  0.0042640800000000, -0.0021384700000000 ]  - [  -0.0027623800000000, -0.0042640800000000, -0.0021384700000000 ]  - [   0.0003820900000000,  0.0000000000000000, -0.0005763500000000 ]  - [   0.0003817600000000, -0.0000078900000000, -0.0005419900000000 ]  - [   0.0003817600000000,  0.0000078900000000, -0.0005419900000000 ]  - [  -0.0002920300000000,  0.0000000000000000, -0.0001906400000000 ]  - [  -0.0003318800000000, -0.0001317200000000,  0.0000331300000000 ]  - [  -0.0003318800000000,  0.0001317200000000,  0.0000331300000000 ]  - [  -0.0371066500000000,  0.0000000000000000,  0.0162198100000000 ]  - [  -0.0038488500000000,  0.0019596300000000,  0.0012559300000000 ]  - [  -0.0038488500000000, -0.0019596300000000,  0.0012559300000000 ]  - [   0.0035014400000000,  0.0022002600000000, -0.0010288700000000 ]  - [   0.0035014400000000, -0.0022002600000000, -0.0010288700000000 ]  - [   0.0015014900000000,  0.0000000000000000, -0.0005166000000000 ]  - [   0.0002219400000000,  0.0000028400000000, -0.0002269200000000 ]  - [   0.0002219400000000, -0.0000028400000000, -0.0002269200000000 ]  - [   0.0002345200000000,  0.0000000000000000, -0.0003838500000000 ]  - [  -0.0002383500000000, -0.0002062000000000,  0.0012965700000000 ]  - [  -0.0002383500000000,  0.0002062000000000,  0.0012965700000000 ]  - [  -0.0002412300000000,  0.0000000000000000,  0.0010786200000000 ]  - [   0.0020529000000000,  0.0002454700000000,  0.0013165100000000 ]  - [   0.0020529000000000, -0.0002454700000000,  0.0013165100000000 ]  - [   0.0008628700000000,  0.0000000000000000,  0.0006078400000000 ]  - [  -0.0079332000000000, -0.0023112300000000,  0.0039153600000000 ]  - [  -0.0079332000000000,  0.0023112300000000,  0.0039153600000000 ]  - [  -0.0009523400000000,  0.0000000000000000,  0.0000031900000000 ]  - [   0.0001514700000000,  0.0000055100000000,  0.0001523500000000 ]  - [   0.0001514700000000, -0.0000055100000000,  0.0001523500000000 ]  - [   0.0001294000000000,  0.0000000000000000,  0.0001756300000000 ]  - [  -0.0001539600000000,  0.0000269000000000, -0.0003586900000000 ]  - [  -0.0001539600000000, -0.0000269000000000, -0.0003586900000000 ]  - [  -0.0001475700000000,  0.0000000000000000, -0.0002876100000000 ]  - [   0.0004726200000000, -0.0018197700000000, -0.0013372000000000 ]  - [   0.0004726200000000,  0.0018197700000000, -0.0013372000000000 ]  - [   0.0000671600000000,  0.0000000000000000, -0.0004774300000000 ]  - [   0.0001732300000000,  0.0000000000000000, -0.0012895600000000 ]  - [  -0.0000234200000000, -0.0000984800000000, -0.0005105200000000 ]  - [  -0.0000234200000000,  0.0000984800000000, -0.0005105200000000 ]  - [  -0.0002603700000000,  0.0000000000000000, -0.0012000600000000 ]  - [  -0.0000954300000000,  0.0003777500000000, -0.0008272900000000 ]  - [  -0.0000954300000000, -0.0003777500000000, -0.0008272900000000 ]  - [  -0.0002095700000000,  0.0000000000000000,  0.0022100100000000 ]  - [  -0.0006635700000000,  0.0005993900000000,  0.0009792300000000 ]  - [  -0.0006635700000000, -0.0005993900000000,  0.0009792300000000 ]  - [   0.0003310500000000,  0.0000000000000000,  0.0002793600000000 ]  - [   0.0002587000000000, -0.0000026700000000,  0.0002227600000000 ]  - [   0.0002587000000000,  0.0000026700000000,  0.0002227600000000 ]  - [   0.0073024200000000,  0.0000000000000000,  0.0005630600000000 ]  - [   0.0003753200000000, -0.0006959700000000, -0.0002357600000000 ]  - [   0.0003753200000000,  0.0006959700000000, -0.0002357600000000 ]  - [   0.0001536800000000,  0.0000000000000000, -0.0001068400000000 ]  - [   0.0001640000000000,  0.0000039300000000, -0.0000570300000000 ]  - [   0.0001640000000000, -0.0000039300000000, -0.0000570300000000 ]  - [  -0.0002368200000000,  0.0000000000000000,  0.0003650800000000 ]  - [  -0.0002400900000000,  0.0000080400000000,  0.0001806500000000 ]  - [  -0.0002400900000000, -0.0000080400000000,  0.0001806500000000 ]  - [   0.0012484000000000,  0.0000000000000000, -0.0000724000000000 ]  - [   0.0009604900000000,  0.0000002800000000, -0.0000869000000000 ]  - [   0.0009604900000000, -0.0000002800000000, -0.0000869000000000 ]  - [   0.0010543000000000,  0.0000000000000000,  0.0003220700000000 ]  - [   0.0007176100000000, -0.0000904100000000,  0.0002059300000000 ]  - [   0.0007176100000000,  0.0000904100000000,  0.0002059300000000 ]  - [  -0.0001440100000000,  0.0000000000000000,  0.0004172900000000 ]  - [  -0.0001261500000000,  0.0000052200000000,  0.0003631300000000 ]  - [  -0.0001261500000000, -0.0000052200000000,  0.0003631300000000 ]  - [   0.0002262500000000,  0.0000000000000000, -0.0000931300000000 ]  - [   0.0001685100000000,  0.0000318100000000, -0.0001517800000000 ]  - [   0.0001685100000000, -0.0000318100000000, -0.0001517800000000 ]  - [   0.0011782400000000,  0.0000000000000000,  0.0007201800000000 ]  - [   0.0003861600000000, -0.0004521100000000,  0.0001237200000000 ]  - [   0.0003861600000000,  0.0004521100000000,  0.0001237200000000 ]  - [   0.0006267500000000, -0.0001535000000000,  0.0009647200000000 ]  - [   0.0006267500000000,  0.0001535000000000,  0.0009647200000000 ]  - [   0.0002382300000000,  0.0000000000000000,  0.0002441800000000 ]  - [   0.0003136800000000,  0.0000880700000000,  0.0003469300000000 ]  - [   0.0003136800000000, -0.0000880700000000,  0.0003469300000000 ]  - [   0.0002343100000000,  0.0000000000000000,  0.0002719300000000 ]  - [   0.0000784200000000,  0.0002240000000000, -0.0004113600000000 ]  - [   0.0000784200000000, -0.0002240000000000, -0.0004113600000000 ]  - [   0.0000594800000000,  0.0000000000000000, -0.0002804900000000 ]  - [  -0.0009857600000000, -0.0000639600000000,  0.0005488600000000 ]  - [  -0.0009857600000000,  0.0000639600000000,  0.0005488600000000 ]  - [  -0.0004437600000000,  0.0000000000000000,  0.0001023800000000 ]  - [   0.0023569400000000, -0.0017644900000000, -0.0000748500000000 ]  - [   0.0023569400000000,  0.0017644900000000, -0.0000748500000000 ]  - [   0.0007709600000000,  0.0000000000000000, -0.0000078500000000 ]  - [  -0.0001037700000000,  0.0000006500000000,  0.0000478400000000 ]  - [  -0.0001037700000000, -0.0000006500000000,  0.0000478400000000 ]  - [  -0.0000905200000000,  0.0000000000000000,  0.0000471300000000 ]  - [   0.0001650000000000,  0.0000040700000000, -0.0001411500000000 ]  - [   0.0001650000000000, -0.0000040700000000, -0.0001411500000000 ]  - [   0.0001457000000000,  0.0000000000000000, -0.0001055900000000 ]  - [  -0.0115166800000000, -0.0053494200000000, -0.0055542600000000 ]  - [  -0.0115166800000000,  0.0053494200000000, -0.0055542600000000 ]  - [  -0.0012775100000000,  0.0000000000000000,  0.0000698100000000 ]  - [  -0.0013209500000000,  0.0144987100000000, -0.0094293500000000 ]  - [  -0.0013209500000000, -0.0144987100000000, -0.0094293500000000 ]  - [   0.0002902300000000,  0.0000000000000000, -0.0005446200000000 ]  - [  -0.0006073500000000, -0.0000143900000000, -0.0000515800000000 ]  - [  -0.0006073500000000,  0.0000143900000000, -0.0000515800000000 ]  - [  -0.0005200800000000,  0.0000000000000000, -0.0000024300000000 ]  - [   0.0002154300000000, -0.0004587300000000,  0.0008892300000000 ]  - [   0.0002154300000000,  0.0004587300000000,  0.0008892300000000 ]  - [   0.0002782900000000,  0.0000000000000000,  0.0004814800000000 ]  - [   0.0061430400000000,  0.0076190400000000,  0.0033578900000000 ]  - [   0.0061430400000000, -0.0076190400000000,  0.0033578900000000 ]  - [   0.0014224800000000,  0.0000000000000000, -0.0001914000000000 ]  - [   0.1396416800000000,  0.0000000000000000, -0.0057975000000000 ]  - [   0.0096249700000000,  0.0019093800000000,  0.0009031600000000 ]  - [   0.0096249700000000, -0.0019093800000000,  0.0009031600000000 ]  - [  -0.0002568200000000,  0.0000000000000000,  0.0001579700000000 ]  - [  -0.0002059700000000, -0.0000093500000000,  0.0000932100000000 ]  - [  -0.0002059700000000,  0.0000093500000000,  0.0000932100000000 ]  - [   0.0002623200000000,  0.0000000000000000,  0.0003687900000000 ]  - [   0.0001786800000000,  0.0000383600000000,  0.0003134200000000 ]  - [   0.0001786800000000, -0.0000383600000000,  0.0003134200000000 ]  - [  -0.0357530000000000,  0.0000000000000000,  0.0146280100000000 ]  - [  -0.0013623700000000, -0.0020568900000000,  0.0014040300000000 ]  - [  -0.0013623700000000,  0.0020568900000000,  0.0014040300000000 ]  - [  -0.0052901200000000,  0.0000000000000000,  0.0038816700000000 ]  - [  -0.0010040200000000,  0.0009428300000000,  0.0013589700000000 ]  - [  -0.0010040200000000, -0.0009428300000000,  0.0013589700000000 ]  - [   0.0006392000000000,  0.0000000000000000,  0.0004023900000000 ]  - [   0.0003196400000000,  0.0001710500000000,  0.0003209600000000 ]  - [   0.0003196400000000, -0.0001710500000000,  0.0003209600000000 ]  - [  -0.0003724900000000,  0.0000000000000000, -0.0019554100000000 ]  - [   0.0000782800000000, -0.0004212800000000, -0.0012521600000000 ]  - [   0.0000782800000000,  0.0004212800000000, -0.0012521600000000 ]  - [  -0.0018789200000000,  0.0000000000000000, -0.0010032300000000 ]  - [  -0.0009710400000000,  0.0004625600000000, -0.0008156800000000 ]  - [  -0.0009710400000000, -0.0004625600000000, -0.0008156800000000 ]  - [  -0.0029369700000000,  0.0000208300000000, -0.0004332800000000 ]  - [  -0.0029369700000000, -0.0000208300000000, -0.0004332800000000 ]  - [  -0.0016098600000000,  0.0000000000000000, -0.0003278500000000 ]  - [   0.0004364100000000,  0.0000336900000000, -0.0007269700000000 ]  - [   0.0004364100000000, -0.0000336900000000, -0.0007269700000000 ]  - [   0.0004518800000000,  0.0000000000000000, -0.0006117100000000 ]  - [  -0.0004799200000000,  0.0000494700000000, -0.0000073000000000 ]  - [  -0.0004799200000000, -0.0000494700000000, -0.0000073000000000 ]  - [  -0.0004401300000000,  0.0000000000000000,  0.0000507300000000 ]  - [  -0.0050876900000000, -0.0035939800000000, -0.0024955800000000 ]  - [  -0.0050876900000000,  0.0035939800000000, -0.0024955800000000 ]  - [  -0.0008991900000000,  0.0000000000000000, -0.0001835000000000 ]- atom:  109  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0002925000000000,  0.0202133500000000, -0.0005113500000000 ]  - [  -0.0034610700000000, -0.0035803900000000, -0.0016732700000000 ]  - [   0.0040276600000000, -0.0035785600000000,  0.0005787700000000 ]  - [   0.0003055800000000,  0.0000564200000000, -0.0005395300000000 ]  - [   0.0003161300000000, -0.0000279700000000, -0.0005765800000000 ]  - [   0.0002951300000000, -0.0000284200000000, -0.0005024200000000 ]  - [  -0.0003052100000000,  0.0002269600000000,  0.0005378700000000 ]  - [  -0.0002434400000000, -0.0001136400000000,  0.0004439300000000 ]  - [  -0.0003669100000000, -0.0001135100000000,  0.0006323200000000 ]  - [  -0.0003274200000000,  0.0194640500000000,  0.0005227800000000 ]  - [  -0.0031448300000000, -0.0035898700000000,  0.0033632800000000 ]  - [   0.0025015100000000, -0.0035874200000000, -0.0022494000000000 ]  - [   0.0000087300000000,  0.0005374400000000, -0.0001593000000000 ]  - [   0.0006088900000000,  0.0005385800000000, -0.0009194500000000 ]  - [   0.0003084900000000, -0.0009224000000000, -0.0005395600000000 ]  - [   0.0003632000000000,  0.0001533000000000, -0.0007595800000000 ]  - [   0.0002467300000000,  0.0001555000000000, -0.0003192400000000 ]  - [   0.0003051100000000, -0.0003045100000000, -0.0005388700000000 ]  - [  -0.0003053800000000,  0.0001271000000000,  0.0005869300000000 ]  - [  -0.0003056900000000,  0.0001284900000000,  0.0004926600000000 ]  - [  -0.0003052900000000, -0.0002546200000000,  0.0005392800000000 ]  - [  -0.0008030600000000,  0.0002524000000000,  0.0002304100000000 ]  - [   0.0001992100000000,  0.0002523600000000,  0.0008489700000000 ]  - [  -0.0003033800000000, -0.0005001700000000,  0.0005403600000000 ]  - [   0.0050561800000000,  0.0180972300000000, -0.0142963500000000 ]  - [  -0.0052385900000000,  0.0186157200000000,  0.0153958300000000 ]  - [  -0.0000016700000000, -0.0019025200000000,  0.0002341000000000 ]  - [  -0.0000032900000000,  0.0000116100000000,  0.0002343200000000 ]  - [  -0.0000033200000000,  0.0000117300000000,  0.0002420500000000 ]  - [  -0.0000035700000000, -0.0000234300000000,  0.0002383300000000 ]  - [  -0.0000795500000000,  0.0000328200000000, -0.0001036400000000 ]  - [   0.0000868100000000,  0.0000329000000000, -0.0003741700000000 ]  - [   0.0000035100000000, -0.0000657200000000, -0.0002387900000000 ]  - [  -0.0000432200000000,  0.0005430300000000, -0.0001925500000000 ]  - [   0.0000557400000000,  0.0005651400000000, -0.0002867500000000 ]  - [   0.0000016300000000, -0.0008109900000000, -0.0002374100000000 ]  - [   0.0000458600000000,  0.0002718500000000, -0.0000808800000000 ]  - [   0.0002754700000000, -0.0001344300000000, -0.0003139200000000 ]  - [  -0.0001852100000000, -0.0001342800000000,  0.0001526300000000 ]  - [   0.0000421900000000,  0.0004741900000000, -0.0000865500000000 ]  - [   0.0001167800000000, -0.0001641700000000, -0.0000831700000000 ]  - [  -0.0000273700000000, -0.0001723900000000, -0.0000762900000000 ]  - [  -0.0000482500000000,  0.0009904800000000,  0.0000814400000000 ]  - [  -0.0006509100000000, -0.0004290000000000, -0.0001678500000000 ]  - [   0.0005593900000000, -0.0004356100000000,  0.0003265300000000 ]  - [  -0.0000440400000000,  0.0000369400000000,  0.0000796400000000 ]  - [  -0.0000246700000000, -0.0000181800000000,  0.0001326500000000 ]  - [  -0.0000640700000000, -0.0000185000000000,  0.0000269600000000 ]  - [   0.0000660300000000,  0.0013433800000000, -0.0000059800000000 ]  - [   0.0013867400000000, -0.0006438900000000, -0.0000730200000000 ]  - [  -0.0012746300000000, -0.0006411000000000,  0.0000669700000000 ]  - [   0.0000510100000000,  0.0000367300000000, -0.0000039200000000 ]  - [   0.0000397000000000, -0.0000185700000000,  0.0000205000000000 ]  - [   0.0000625300000000, -0.0000188000000000, -0.0000265700000000 ]  - [  -0.0000513900000000,  0.0000387900000000,  0.0000034100000000 ]  - [  -0.0000681900000000, -0.0000199000000000, -0.0000534600000000 ]  - [  -0.0000348400000000, -0.0000200400000000,  0.0000593400000000 ]  - [  -0.0000479100000000,  0.0001237700000000,  0.0000030000000000 ]  - [  -0.0001363900000000, -0.0000685400000000, -0.0000157100000000 ]  - [   0.0000365400000000, -0.0000703500000000,  0.0000214000000000 ]  - [  -0.0000021200000000,  0.0001238700000000,  0.0002384800000000 ]  - [   0.0000425800000000, -0.0000547400000000,  0.0002605500000000 ]  - [  -0.0000480200000000, -0.0000555600000000,  0.0002166600000000 ]  - [  -0.0000044200000000,  0.0000788100000000,  0.0002383100000000 ]  - [  -0.0000031900000000, -0.0000409800000000,  0.0002953200000000 ]  - [  -0.0000048100000000, -0.0000414500000000,  0.0001817300000000 ]  - [   0.0000038000000000,  0.0000550100000000, -0.0002383300000000 ]  - [  -0.0000276300000000, -0.0000272700000000, -0.0002610100000000 ]  - [   0.0000351500000000, -0.0000276700000000, -0.0002160600000000 ]  - [   0.0000082000000000,  0.0008259700000000, -0.0002374100000000 ]  - [   0.0006166400000000, -0.0004099700000000, -0.0001787900000000 ]  - [  -0.0006098000000000, -0.0004111300000000, -0.0002962900000000 ]  - [   0.0002323800000000,  0.0000590400000000,  0.0002897300000000 ]  - [  -0.0001410900000000,  0.0000602700000000, -0.0004443800000000 ]  - [   0.0000439000000000, -0.0001866000000000, -0.0000815900000000 ]  - [   0.0000038800000000,  0.0000582400000000, -0.0001032600000000 ]  - [   0.0000863100000000,  0.0000582800000000, -0.0000549600000000 ]  - [   0.0000449700000000, -0.0001150900000000, -0.0000791800000000 ]  - [  -0.0000569700000000,  0.0000894300000000,  0.0001031100000000 ]  - [  -0.0000320100000000,  0.0000893700000000,  0.0000553700000000 ]  - [  -0.0000445500000000, -0.0001780300000000,  0.0000792000000000 ]  - [   0.0002233300000000,  0.0000790000000000, -0.0010018900000000 ]  - [  -0.0003182900000000,  0.0000795700000000,  0.0011625500000000 ]  - [  -0.0000443200000000, -0.0002035900000000,  0.0000817000000000 ]  - [  -0.0000025500000000,  0.0005069200000000, -0.0000570500000000 ]  - [   0.0001130900000000,  0.0005274600000000,  0.0000505500000000 ]  - [   0.0000484300000000, -0.0007816400000000, -0.0000026000000000 ]  - [   0.0000430900000000,  0.0000180200000000,  0.0000232000000000 ]  - [   0.0000589200000000,  0.0000182300000000, -0.0000295400000000 ]  - [   0.0000509000000000, -0.0000361100000000, -0.0000031400000000 ]  - [  -0.0000505000000000,  0.0000127700000000,  0.0000179700000000 ]  - [  -0.0000506100000000,  0.0000128100000000, -0.0000126000000000 ]  - [  -0.0000507200000000, -0.0000259400000000,  0.0000027700000000 ]  - [   0.0080524100000000,  0.0164275900000000,  0.0101968900000000 ]  - [  -0.0085417000000000,  0.0168931500000000, -0.0106224600000000 ]  - [  -0.0000468100000000, -0.0017445400000000,  0.0000056200000000 ]  - [  -0.0099835000000000,  0.0000062900000000, -0.0050871100000000 ]  - [   0.0095976300000000, -0.0000867700000000,  0.0056512800000000 ]  - [  -0.0002270900000000,  0.0039983100000000,  0.0002755400000000 ]  - [  -0.0001901100000000, -0.0000475800000000,  0.0003026300000000 ]  - [  -0.0002707900000000, -0.0000480700000000,  0.0002312700000000 ]  - [  -0.0002298300000000,  0.0000957800000000,  0.0002668500000000 ]  - [   0.0004333000000000, -0.0002822500000000, -0.0004864600000000 ]  - [   0.0000243200000000, -0.0002814100000000, -0.0000435500000000 ]  - [   0.0002292800000000,  0.0005631100000000, -0.0002652200000000 ]  - [  -0.0050469600000000, -0.0004688800000000,  0.0068739000000000 ]  - [   0.0055551800000000, -0.0005711400000000, -0.0074503900000000 ]  - [   0.0002295300000000,  0.0037512100000000, -0.0002769100000000 ]  - [   0.0007354700000000, -0.1295025200000000, -0.0004121700000000 ]  - [   0.0021011700000000,  0.0169103500000000, -0.0010451400000000 ]  - [  -0.0017926800000000,  0.0166852900000000,  0.0006386700000000 ]  - [   0.0001558100000000, -0.0000338300000000, -0.0002025100000000 ]  - [   0.0001465400000000,  0.0000167400000000, -0.0001813200000000 ]  - [   0.0001655300000000,  0.0000188600000000, -0.0002245200000000 ]  - [  -0.0001561800000000, -0.0002392400000000,  0.0002039000000000 ]  - [  -0.0001954300000000,  0.0001197100000000,  0.0003241800000000 ]  - [  -0.0001177000000000,  0.0001194700000000,  0.0000832700000000 ]  - [  -0.0002330400000000, -0.0045601800000000,  0.0002202600000000 ]  - [   0.0019202400000000,  0.0005503200000000, -0.0003369200000000 ]  - [  -0.0022029400000000,  0.0005719100000000,  0.0007356300000000 ]  - [  -0.0002328100000000, -0.0004538800000000,  0.0002681400000000 ]  - [  -0.0011364000000000,  0.0002557700000000,  0.0005175700000000 ]  - [   0.0006719400000000,  0.0002563600000000,  0.0000205900000000 ]  - [  -0.0002251400000000, -0.0010535600000000,  0.0002704300000000 ]  - [  -0.0001521600000000,  0.0005258200000000, -0.0001392400000000 ]  - [  -0.0003049300000000,  0.0005283400000000,  0.0006728900000000 ]  - [   0.0002293100000000, -0.0002921200000000, -0.0002699200000000 ]  - [   0.0005285800000000,  0.0001472500000000,  0.0001035100000000 ]  - [  -0.0000678900000000,  0.0001514700000000, -0.0006380000000000 ]  - [   0.0002252700000000, -0.0004338000000000, -0.0002674400000000 ]  - [  -0.0002002500000000,  0.0002150700000000, -0.0003891000000000 ]  - [   0.0006559200000000,  0.0002148700000000, -0.0001465700000000 ]  - [   0.0001720500000000, -0.0000495300000000, -0.0002491000000000 ]  - [   0.0001304400000000, -0.0000513700000000, -0.0001582500000000 ]  - [   0.0001554100000000,  0.0001516400000000, -0.0002044500000000 ]  - [   0.0001911700000000, -0.0000726300000000, -0.0001879100000000 ]  - [   0.0001237000000000, -0.0000731700000000, -0.0002197100000000 ]  - [   0.0001570400000000,  0.0001459300000000, -0.0002036400000000 ]  - [  -0.0002062700000000, -0.0000313000000000,  0.0002206100000000 ]  - [  -0.0001075100000000, -0.0000323000000000,  0.0001864500000000 ]  - [  -0.0001568000000000,  0.0000606700000000,  0.0002034600000000 ]  - [   0.0034147200000000, -0.0008644900000000, -0.0002831800000000 ]  - [  -0.0037422900000000, -0.0008630000000000,  0.0006874200000000 ]  - [  -0.0001609200000000,  0.0016786300000000,  0.0002000200000000 ]- atom:  109  displacement:    [  -0.0051027950040762,  0.0000000000000000,  0.0086000862290081 ]  forces:  - [  -0.0186308900000000,  0.0000000000000000,  0.0182288100000000 ]  - [  -0.0023007100000000, -0.0012424400000000,  0.0032651000000000 ]  - [  -0.0023007100000000,  0.0012424400000000,  0.0032651000000000 ]  - [   0.0005085900000000,  0.0000000000000000, -0.0011699400000000 ]  - [   0.0004854700000000,  0.0000123500000000, -0.0010891700000000 ]  - [   0.0004854700000000, -0.0000123500000000, -0.0010891700000000 ]  - [  -0.0000378500000000,  0.0000000000000000, -0.0005480000000000 ]  - [  -0.0001202000000000, -0.0001734400000000, -0.0003191200000000 ]  - [  -0.0001202000000000,  0.0001734400000000, -0.0003191200000000 ]  - [  -0.0293964200000000,  0.0000000000000000,  0.0420318200000000 ]  - [  -0.0007572300000000,  0.0057499600000000,  0.0055171800000000 ]  - [  -0.0007572300000000, -0.0057499600000000,  0.0055171800000000 ]  - [   0.0020501300000000,  0.0014951900000000,  0.0001130700000000 ]  - [   0.0020501300000000, -0.0014951900000000,  0.0001130700000000 ]  - [   0.0008446600000000,  0.0000000000000000,  0.0001091400000000 ]  - [   0.0000035000000000, -0.0002376400000000, -0.0020101400000000 ]  - [   0.0000035000000000,  0.0002376400000000, -0.0020101400000000 ]  - [   0.0000079100000000,  0.0000000000000000, -0.0017174000000000 ]  - [  -0.0006109600000000,  0.0001102800000000, -0.0004600600000000 ]  - [  -0.0006109600000000, -0.0001102800000000, -0.0004600600000000 ]  - [  -0.0005644500000000,  0.0000000000000000, -0.0003098700000000 ]  - [   0.0004792400000000, -0.0000346200000000,  0.0014528600000000 ]  - [   0.0004792400000000,  0.0000346200000000,  0.0014528600000000 ]  - [   0.0000260800000000,  0.0000000000000000,  0.0010871600000000 ]  - [  -0.0080395400000000, -0.0088212100000000,  0.0175854400000000 ]  - [  -0.0080395400000000,  0.0088212100000000,  0.0175854400000000 ]  - [  -0.0006610400000000,  0.0000000000000000,  0.0012449700000000 ]  - [   0.0001768300000000,  0.0000006700000000, -0.0000212500000000 ]  - [   0.0001768300000000, -0.0000006700000000, -0.0000212500000000 ]  - [   0.0001453700000000,  0.0000000000000000,  0.0000198100000000 ]  - [   0.0000814300000000,  0.0000447300000000, -0.0006719000000000 ]  - [   0.0000814300000000, -0.0000447300000000, -0.0006719000000000 ]  - [   0.0000028200000000,  0.0000000000000000, -0.0005003500000000 ]  - [   0.0020980100000000, -0.0016452900000000, -0.0000757600000000 ]  - [   0.0020980100000000,  0.0016452900000000, -0.0000757600000000 ]  - [   0.0004964400000000,  0.0000000000000000,  0.0000297100000000 ]  - [   0.0007120700000000,  0.0000000000000000, -0.0009043400000000 ]  - [   0.0003437800000000, -0.0001838400000000, -0.0003324400000000 ]  - [   0.0003437800000000,  0.0001838400000000, -0.0003324400000000 ]  - [  -0.0001888200000000,  0.0000000000000000, -0.0022259500000000 ]  - [   0.0001232900000000,  0.0009298700000000, -0.0013531900000000 ]  - [   0.0001232900000000, -0.0009298700000000, -0.0013531900000000 ]  - [  -0.0015085500000000,  0.0000000000000000, -0.0000325300000000 ]  - [  -0.0009599100000000, -0.0005518500000000, -0.0003410100000000 ]  - [  -0.0009599100000000,  0.0005518500000000, -0.0003410100000000 ]  - [   0.0001684200000000,  0.0000000000000000, -0.0000031300000000 ]  - [   0.0001228600000000,  0.0000199700000000,  0.0000057000000000 ]  - [   0.0001228600000000, -0.0000199700000000,  0.0000057000000000 ]  - [   0.0047616600000000,  0.0000000000000000,  0.0022391000000000 ]  - [   0.0002226200000000, -0.0001945500000000,  0.0008619200000000 ]  - [   0.0002226200000000,  0.0001945500000000,  0.0008619200000000 ]  - [   0.0001737000000000,  0.0000000000000000, -0.0005396800000000 ]  - [   0.0001833900000000,  0.0000062300000000, -0.0003777800000000 ]  - [   0.0001833900000000, -0.0000062300000000, -0.0003777800000000 ]  - [  -0.0002566800000000,  0.0000000000000000, -0.0003611300000000 ]  - [  -0.0002318500000000, -0.0000002300000000, -0.0002917700000000 ]  - [  -0.0002318500000000,  0.0000002300000000, -0.0002917700000000 ]  - [   0.0006715500000000,  0.0000000000000000,  0.0002681500000000 ]  - [   0.0004662500000000, -0.0000218600000000,  0.0002515500000000 ]  - [   0.0004662500000000,  0.0000218600000000,  0.0002515500000000 ]  - [   0.0005042600000000,  0.0000000000000000,  0.0005084900000000 ]  - [   0.0003179400000000, -0.0000800200000000,  0.0004093100000000 ]  - [   0.0003179400000000,  0.0000800200000000,  0.0004093100000000 ]  - [  -0.0003063400000000,  0.0000000000000000, -0.0001970200000000 ]  - [  -0.0002393400000000,  0.0000386300000000, -0.0001011800000000 ]  - [  -0.0002393400000000, -0.0000386300000000, -0.0001011800000000 ]  - [  -0.0001055000000000,  0.0000000000000000, -0.0005468000000000 ]  - [  -0.0000597300000000,  0.0000003900000000, -0.0004968500000000 ]  - [  -0.0000597300000000, -0.0000003900000000, -0.0004968500000000 ]  - [  -0.0002988800000000,  0.0000000000000000,  0.0007816200000000 ]  - [  -0.0004237800000000,  0.0000184300000000,  0.0002265300000000 ]  - [  -0.0004237800000000, -0.0000184300000000,  0.0002265300000000 ]  - [  -0.0004335000000000,  0.0001043800000000, -0.0003793800000000 ]  - [  -0.0004335000000000, -0.0001043800000000, -0.0003793800000000 ]  - [  -0.0002220400000000,  0.0000000000000000, -0.0001132200000000 ]  - [   0.0000667100000000,  0.0000129600000000, -0.0000059400000000 ]  - [   0.0000667100000000, -0.0000129600000000, -0.0000059400000000 ]  - [   0.0000457300000000,  0.0000000000000000, -0.0000339100000000 ]  - [   0.0001873300000000,  0.0001913600000000, -0.0000696200000000 ]  - [   0.0001873300000000, -0.0001913600000000, -0.0000696200000000 ]  - [   0.0001504200000000,  0.0000000000000000, -0.0000139000000000 ]  - [  -0.0010305100000000, -0.0002640300000000, -0.0013445300000000 ]  - [  -0.0010305100000000,  0.0002640300000000, -0.0013445300000000 ]  - [  -0.0004394600000000,  0.0000000000000000, -0.0002936400000000 ]  - [   0.0000357800000000, -0.0009875700000000,  0.0015964000000000 ]  - [   0.0000357800000000,  0.0009875700000000,  0.0015964000000000 ]  - [   0.0000567000000000,  0.0000000000000000,  0.0005823900000000 ]  - [  -0.0000697200000000,  0.0000126900000000, -0.0002303900000000 ]  - [  -0.0000697200000000, -0.0000126900000000, -0.0002303900000000 ]  - [  -0.0000639000000000,  0.0000000000000000, -0.0001877100000000 ]  - [   0.0001736000000000,  0.0000042300000000, -0.0002557000000000 ]  - [   0.0001736000000000, -0.0000042300000000, -0.0002557000000000 ]  - [   0.0001490700000000,  0.0000000000000000, -0.0002128900000000 ]  - [  -0.0020609700000000,  0.0030203400000000,  0.0074552600000000 ]  - [  -0.0020609700000000, -0.0030203400000000,  0.0074552600000000 ]  - [  -0.0004824000000000,  0.0000000000000000,  0.0010566300000000 ]  - [   0.0094741500000000, -0.0014631100000000,  0.0001408900000000 ]  - [   0.0094741500000000,  0.0014631100000000,  0.0001408900000000 ]  - [   0.0009397500000000,  0.0000000000000000, -0.0007841300000000 ]  - [  -0.0004977100000000,  0.0000083400000000,  0.0006693700000000 ]  - [  -0.0004977100000000, -0.0000083400000000,  0.0006693700000000 ]  - [  -0.0004220600000000,  0.0000000000000000,  0.0006404600000000 ]  - [  -0.0003083700000000, -0.0005153500000000,  0.0010868800000000 ]  - [  -0.0003083700000000,  0.0005153500000000,  0.0010868800000000 ]  - [  -0.0000653400000000,  0.0000000000000000,  0.0006515100000000 ]  - [  -0.0005020600000000,  0.0161389000000000,  0.0116083400000000 ]  - [  -0.0005020600000000, -0.0161389000000000,  0.0116083400000000 ]  - [   0.0007054800000000,  0.0000000000000000, -0.0000850200000000 ]  - [   0.0765340500000000,  0.0000000000000000, -0.1102960700000000 ]  - [   0.0040978700000000,  0.0016892700000000, -0.0126719200000000 ]  - [   0.0040978700000000, -0.0016892700000000, -0.0126719200000000 ]  - [  -0.0003678600000000,  0.0000000000000000,  0.0006817800000000 ]  - [  -0.0002864100000000, -0.0000232900000000,  0.0005868100000000 ]  - [  -0.0002864100000000,  0.0000232900000000,  0.0005868100000000 ]  - [  -0.0000905500000000,  0.0000000000000000,  0.0012518200000000 ]  - [  -0.0000849600000000,  0.0001236700000000,  0.0010848500000000 ]  - [  -0.0000849600000000, -0.0001236700000000,  0.0010848500000000 ]  - [  -0.0307910400000000,  0.0000000000000000, -0.0093823100000000 ]  - [  -0.0017857400000000, -0.0015142200000000, -0.0034317200000000 ]  - [  -0.0017857400000000,  0.0015142200000000, -0.0034317200000000 ]  - [  -0.0037687500000000,  0.0000000000000000,  0.0016955200000000 ]  - [  -0.0008797400000000,  0.0006498100000000,  0.0001962800000000 ]  - [  -0.0008797400000000, -0.0006498100000000,  0.0001962800000000 ]  - [   0.0007358100000000,  0.0000000000000000,  0.0029914300000000 ]  - [   0.0003101500000000, -0.0005300900000000,  0.0021009400000000 ]  - [   0.0003101500000000,  0.0005300900000000,  0.0021009400000000 ]  - [   0.0012209200000000,  0.0000000000000000,  0.0010998100000000 ]  - [   0.0008828600000000,  0.0000273300000000,  0.0007144900000000 ]  - [   0.0008828600000000, -0.0000273300000000,  0.0007144900000000 ]  - [  -0.0001587300000000,  0.0000000000000000, -0.0006585600000000 ]  - [   0.0000738900000000,  0.0001773200000000, -0.0005842900000000 ]  - [   0.0000738900000000, -0.0001773200000000, -0.0005842900000000 ]  - [  -0.0012208900000000,  0.0000503000000000, -0.0012242200000000 ]  - [  -0.0012208900000000, -0.0000503000000000, -0.0012242200000000 ]  - [  -0.0006345500000000,  0.0000000000000000, -0.0009993800000000 ]  - [   0.0007444300000000,  0.0000035800000000,  0.0009097300000000 ]  - [   0.0007444300000000, -0.0000035800000000,  0.0009097300000000 ]  - [   0.0006535900000000,  0.0000000000000000,  0.0007753700000000 ]  - [  -0.0001448300000000,  0.0000399200000000,  0.0013058800000000 ]  - [  -0.0001448300000000, -0.0000399200000000,  0.0013058800000000 ]  - [  -0.0001742700000000,  0.0000000000000000,  0.0011752300000000 ]  - [  -0.0003426400000000, -0.0022451100000000, -0.0038275400000000 ]  - [  -0.0003426400000000,  0.0022451100000000, -0.0038275400000000 ]  - [  -0.0001990200000000,  0.0000000000000000, -0.0013896000000000 ]- atom:  109  displacement:    [   0.0051027950040762,  0.0000000000000000, -0.0086000862290081 ]  forces:  - [   0.0191550000000000,  0.0000000000000000, -0.0193849100000000 ]  - [   0.0029119900000000,  0.0012590400000000, -0.0043631100000000 ]  - [   0.0029119900000000, -0.0012590400000000, -0.0043631100000000 ]  - [   0.0001005500000000,  0.0000000000000000,  0.0000909800000000 ]  - [   0.0001238700000000, -0.0000123300000000,  0.0000104300000000 ]  - [   0.0001238700000000,  0.0000123300000000,  0.0000104300000000 ]  - [  -0.0005727800000000,  0.0000000000000000,  0.0016273700000000 ]  - [  -0.0004906600000000,  0.0001724200000000,  0.0013995900000000 ]  - [  -0.0004906600000000, -0.0001724200000000,  0.0013995900000000 ]  - [   0.0309458500000000,  0.0000000000000000, -0.0439178700000000 ]  - [   0.0001521400000000, -0.0057882700000000, -0.0044640300000000 ]  - [   0.0001521400000000,  0.0057882700000000, -0.0044640300000000 ]  - [  -0.0014400300000000, -0.0014949200000000, -0.0011913400000000 ]  - [  -0.0014400300000000,  0.0014949200000000, -0.0011913400000000 ]  - [  -0.0002354100000000,  0.0000000000000000, -0.0011877900000000 ]  - [   0.0006079000000000,  0.0002379800000000,  0.0009357100000000 ]  - [   0.0006079000000000, -0.0002379800000000,  0.0009357100000000 ]  - [   0.0006035800000000,  0.0000000000000000,  0.0006425400000000 ]  - [   0.0000019100000000, -0.0001101700000000,  0.0015443200000000 ]  - [   0.0000019100000000,  0.0001101700000000,  0.0015443200000000 ]  - [  -0.0000446400000000,  0.0000000000000000,  0.0013937600000000 ]  - [  -0.0010906600000000,  0.0000338000000000, -0.0003741100000000 ]  - [  -0.0010906600000000, -0.0000338000000000, -0.0003741100000000 ]  - [  -0.0006384800000000,  0.0000000000000000, -0.0000081100000000 ]  - [   0.0079187200000000,  0.0082319100000000, -0.0166025800000000 ]  - [   0.0079187200000000, -0.0082319100000000, -0.0166025800000000 ]  - [   0.0006524900000000,  0.0000000000000000, -0.0007695500000000 ]  - [  -0.0001852900000000, -0.0000005700000000,  0.0004985100000000 ]  - [  -0.0001852900000000,  0.0000005700000000,  0.0004985100000000 ]  - [  -0.0001538300000000,  0.0000000000000000,  0.0004571400000000 ]  - [  -0.0000738700000000, -0.0000444800000000,  0.0001953200000000 ]  - [  -0.0000738700000000,  0.0000444800000000,  0.0001953200000000 ]  - [   0.0000043800000000,  0.0000000000000000,  0.0000245600000000 ]  - [  -0.0021069800000000,  0.0016494600000000, -0.0003986000000000 ]  - [  -0.0021069800000000, -0.0016494600000000, -0.0003986000000000 ]  - [  -0.0004925100000000,  0.0000000000000000, -0.0005084500000000 ]  - [  -0.0006185900000000,  0.0000000000000000,  0.0007430600000000 ]  - [  -0.0002547100000000,  0.0001832200000000,  0.0001738900000000 ]  - [  -0.0002547100000000, -0.0001832200000000,  0.0001738900000000 ]  - [   0.0002742900000000,  0.0000000000000000,  0.0020758000000000 ]  - [  -0.0000350900000000, -0.0009347800000000,  0.0012029000000000 ]  - [  -0.0000350900000000,  0.0009347800000000,  0.0012029000000000 ]  - [   0.0014152200000000,  0.0000000000000000,  0.0002044500000000 ]  - [   0.0008708800000000,  0.0005534000000000,  0.0005034000000000 ]  - [   0.0008708800000000, -0.0005534000000000,  0.0005034000000000 ]  - [  -0.0002589600000000,  0.0000000000000000,  0.0001616600000000 ]  - [  -0.0002132500000000, -0.0000200600000000,  0.0001529900000000 ]  - [  -0.0002132500000000,  0.0000200600000000,  0.0001529900000000 ]  - [  -0.0047082500000000,  0.0000000000000000, -0.0022065700000000 ]  - [  -0.0001188300000000,  0.0001931100000000, -0.0008669000000000 ]  - [  -0.0001188300000000, -0.0001931100000000, -0.0008669000000000 ]  - [  -0.0000715600000000,  0.0000000000000000,  0.0005358200000000 ]  - [  -0.0000813000000000, -0.0000062000000000,  0.0003734300000000 ]  - [  -0.0000813000000000,  0.0000062000000000,  0.0003734300000000 ]  - [   0.0001547600000000,  0.0000000000000000,  0.0003685000000000 ]  - [   0.0001295700000000,  0.0000001500000000,  0.0002991000000000 ]  - [   0.0001295700000000, -0.0000001500000000,  0.0002991000000000 ]  - [  -0.0007730200000000,  0.0000000000000000, -0.0002628800000000 ]  - [  -0.0005692800000000,  0.0000220300000000, -0.0002468600000000 ]  - [  -0.0005692800000000, -0.0000220300000000, -0.0002468600000000 ]  - [  -0.0005117300000000,  0.0000000000000000, -0.0000324000000000 ]  - [  -0.0003258000000000,  0.0000799400000000,  0.0000670800000000 ]  - [  -0.0003258000000000, -0.0000799400000000,  0.0000670800000000 ]  - [   0.0002991800000000,  0.0000000000000000,  0.0006746100000000 ]  - [   0.0002323400000000, -0.0000386200000000,  0.0005786700000000 ]  - [   0.0002323400000000,  0.0000386200000000,  0.0005786700000000 ]  - [   0.0001136300000000,  0.0000000000000000,  0.0000720900000000 ]  - [   0.0000679700000000, -0.0000004100000000,  0.0000217700000000 ]  - [   0.0000679700000000,  0.0000004100000000,  0.0000217700000000 ]  - [   0.0003037800000000,  0.0000000000000000, -0.0012552100000000 ]  - [   0.0004281800000000, -0.0000167200000000, -0.0007027300000000 ]  - [   0.0004281800000000,  0.0000167200000000, -0.0007027300000000 ]  - [   0.0005255300000000, -0.0001042300000000,  0.0002254600000000 ]  - [   0.0005255300000000,  0.0001042300000000,  0.0002254600000000 ]  - [   0.0003125700000000,  0.0000000000000000, -0.0000448300000000 ]  - [   0.0000215400000000, -0.0000130300000000, -0.0001541300000000 ]  - [   0.0000215400000000,  0.0000130300000000, -0.0001541300000000 ]  - [   0.0000424700000000,  0.0000000000000000, -0.0001260500000000 ]  - [  -0.0002761400000000, -0.0001909100000000,  0.0002297700000000 ]  - [  -0.0002761400000000,  0.0001909100000000,  0.0002297700000000 ]  - [  -0.0002396800000000,  0.0000000000000000,  0.0001737200000000 ]  - [   0.0009499800000000,  0.0002653300000000,  0.0015087600000000 ]  - [   0.0009499800000000, -0.0002653300000000,  0.0015087600000000 ]  - [   0.0003535400000000,  0.0000000000000000,  0.0004544200000000 ]  - [   0.0000639100000000,  0.0009980000000000, -0.0016124200000000 ]  - [   0.0000639100000000, -0.0009980000000000, -0.0016124200000000 ]  - [   0.0000457800000000,  0.0000000000000000, -0.0005909900000000 ]  - [   0.0001720200000000, -0.0000127900000000,  0.0002243400000000 ]  - [   0.0001720200000000,  0.0000127900000000,  0.0002243400000000 ]  - [   0.0001657400000000,  0.0000000000000000,  0.0001818500000000 ]  - [  -0.0002756300000000, -0.0000040000000000,  0.0002622600000000 ]  - [  -0.0002756300000000,  0.0000040000000000,  0.0002622600000000 ]  - [  -0.0002512600000000,  0.0000000000000000,  0.0002203900000000 ]  - [   0.0019797600000000, -0.0029708500000000, -0.0074312200000000 ]  - [   0.0019797600000000,  0.0029708500000000, -0.0074312200000000 ]  - [   0.0003847300000000,  0.0000000000000000, -0.0010538000000000 ]  - [  -0.0099373600000000,  0.0015120800000000,  0.0003451200000000 ]  - [  -0.0099373600000000, -0.0015120800000000,  0.0003451200000000 ]  - [  -0.0014023300000000,  0.0000000000000000,  0.0013204100000000 ]  - [   0.0000397100000000, -0.0000085300000000, -0.0001363200000000 ]  - [   0.0000397100000000,  0.0000085300000000, -0.0001363200000000 ]  - [  -0.0000355000000000,  0.0000000000000000, -0.0001073300000000 ]  - [   0.0007668200000000,  0.0005120200000000, -0.0016190600000000 ]  - [   0.0007668200000000, -0.0005120200000000, -0.0016190600000000 ]  - [   0.0005251500000000,  0.0000000000000000, -0.0011858600000000 ]  - [   0.0009859600000000, -0.0163228500000000, -0.0123169800000000 ]  - [   0.0009859600000000,  0.0163228500000000, -0.0123169800000000 ]  - [  -0.0002533800000000,  0.0000000000000000, -0.0004494500000000 ]  - [  -0.0785258600000000,  0.0000000000000000,  0.1122094300000000 ]  - [  -0.0038026500000000, -0.0017455500000000,  0.0122785300000000 ]  - [  -0.0038026500000000,  0.0017455500000000,  0.0122785300000000 ]  - [   0.0006829800000000,  0.0000000000000000, -0.0010905500000000 ]  - [   0.0006012800000000,  0.0000232800000000, -0.0009962500000000 ]  - [   0.0006012800000000, -0.0000232800000000, -0.0009962500000000 ]  - [  -0.0002227500000000,  0.0000000000000000, -0.0008460000000000 ]  - [  -0.0002287800000000, -0.0001230200000000, -0.0006799600000000 ]  - [  -0.0002287800000000,  0.0001230200000000, -0.0006799600000000 ]  - [   0.0309321900000000,  0.0000000000000000,  0.0098670900000000 ]  - [   0.0014851000000000,  0.0015115800000000,  0.0038653500000000 ]  - [   0.0014851000000000, -0.0015115800000000,  0.0038653500000000 ]  - [   0.0033067700000000,  0.0000000000000000, -0.0011658900000000 ]  - [   0.0004208200000000, -0.0006491800000000,  0.0003357700000000 ]  - [   0.0004208200000000,  0.0006491800000000,  0.0003357700000000 ]  - [  -0.0011980900000000,  0.0000000000000000, -0.0024679200000000 ]  - [  -0.0007723400000000,  0.0005309800000000, -0.0015747200000000 ]  - [  -0.0007723400000000, -0.0005309800000000, -0.0015747200000000 ]  - [  -0.0007624500000000,  0.0000000000000000, -0.0016388800000000 ]  - [  -0.0004251800000000, -0.0000284600000000, -0.0012537400000000 ]  - [  -0.0004251800000000,  0.0000284600000000, -0.0012537400000000 ]  - [   0.0006211300000000,  0.0000000000000000,  0.0001287100000000 ]  - [   0.0003881000000000, -0.0001773900000000,  0.0000538800000000 ]  - [   0.0003881000000000,  0.0001773900000000,  0.0000538800000000 ]  - [   0.0015336100000000, -0.0000493400000000,  0.0008186100000000 ]  - [   0.0015336100000000,  0.0000493400000000,  0.0008186100000000 ]  - [   0.0009494000000000,  0.0000000000000000,  0.0005937400000000 ]  - [  -0.0004314300000000, -0.0000036100000000, -0.0013209100000000 ]  - [  -0.0004314300000000,  0.0000036100000000, -0.0013209100000000 ]  - [  -0.0003409600000000,  0.0000000000000000, -0.0011864500000000 ]  - [  -0.0001703200000000, -0.0000397900000000, -0.0009039500000000 ]  - [  -0.0001703200000000,  0.0000397900000000, -0.0009039500000000 ]  - [  -0.0001408500000000,  0.0000000000000000, -0.0007732400000000 ]  - [   0.0000367300000000,  0.0022414700000000,  0.0042269200000000 ]  - [   0.0000367300000000, -0.0022414700000000,  0.0042269200000000 ]  - [  -0.0001137700000000,  0.0000000000000000,  0.0017949200000000 ]