# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/daff77eb-31df-4a13-9756-96aadb462ff9/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 LiPN2 / I-42d (122) / materials id 3524](https://mdr.nims.go.jp/datasets/e80c2619-e276-41c6-b267-2b3a77058a49)

## 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: "I-42d"  number: 122  Hall_symbol: "I -4 2bw"primitive_matrix:- [ -0.500000000000000,  0.500000000000000,  0.500000000000000 ]- [  0.500000000000000, -0.500000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.500000000000000, -0.500000000000000 ]supercell_matrix:- [   2,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [    -2.264315560000000,     2.264315560000000,     3.620877440000000 ] # a  - [     2.264315560000000,    -2.264315560000000,     3.620877440000000 ] # b  - [     2.264315560000000,     2.264315560000000,    -3.620877440000000 ] # c  points:  - symbol: Li # 1    coordinates: [  0.250000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 6.941000  - symbol: Li # 2    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 6.941000  - symbol: N  # 3    coordinates: [  0.875000000000000,  0.954636390000000,  0.579636390000000 ]    mass: 14.006700  - symbol: N  # 4    coordinates: [  0.375000000000000,  0.295363610000000,  0.420363610000000 ]    mass: 14.006700  - symbol: N  # 5    coordinates: [  0.704636390000000,  0.125000000000000,  0.079636390000000 ]    mass: 14.006700  - symbol: N  # 6    coordinates: [  0.045363610000000,  0.625000000000000,  0.920363610000000 ]    mass: 14.006700  - symbol: P  # 7    coordinates: [  0.750000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 30.973762  - symbol: P  # 8    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 30.973762  reciprocal_lattice: # without 2pi  - [     0.000000000000000,     0.220817278665876,     0.138088076242647 ] # a*  - [     0.220817278665876,     0.000000000000000,     0.138088076242647 ] # b*  - [     0.220817278665876,     0.220817278665876,     0.000000000000000 ] # c*unit_cell:  lattice:  - [     4.528631120000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     4.528631120000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     7.241754880000000 ] # c  points:  - symbol: Li # 1    coordinates: [  0.000000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 2    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 2  - symbol: Li # 3    coordinates: [  0.500000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 4    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 2  - symbol: N  # 5    coordinates: [  0.329636390000000,  0.250000000000000,  0.625000000000000 ]    mass: 14.006700    reduced_to: 5  - symbol: N  # 6    coordinates: [  0.670363610000000,  0.750000000000000,  0.625000000000000 ]    mass: 14.006700    reduced_to: 6  - symbol: N  # 7    coordinates: [  0.750000000000000,  0.329636390000000,  0.375000000000000 ]    mass: 14.006700    reduced_to: 7  - symbol: N  # 8    coordinates: [  0.250000000000000,  0.670363610000000,  0.375000000000000 ]    mass: 14.006700    reduced_to: 8  - symbol: N  # 9    coordinates: [  0.829636390000000,  0.750000000000000,  0.125000000000000 ]    mass: 14.006700    reduced_to: 5  - symbol: N  # 10    coordinates: [  0.170363610000000,  0.250000000000000,  0.125000000000000 ]    mass: 14.006700    reduced_to: 6  - symbol: N  # 11    coordinates: [  0.250000000000000,  0.829636390000000,  0.875000000000000 ]    mass: 14.006700    reduced_to: 7  - symbol: N  # 12    coordinates: [  0.750000000000000,  0.170363610000000,  0.875000000000000 ]    mass: 14.006700    reduced_to: 8  - symbol: P  # 13    coordinates: [  0.000000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 30.973762    reduced_to: 13  - symbol: P  # 14    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 30.973762    reduced_to: 14  - symbol: P  # 15    coordinates: [  0.500000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 30.973762    reduced_to: 13  - symbol: P  # 16    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 30.973762    reduced_to: 14supercell:  lattice:  - [     9.057262240000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     9.057262240000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    14.483509760000000 ] # c  points:  - symbol: Li # 1    coordinates: [  0.000000000000000,  0.250000000000000,  0.375000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 2    coordinates: [  0.500000000000000,  0.250000000000000,  0.375000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 3    coordinates: [  0.000000000000000,  0.750000000000000,  0.375000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 4    coordinates: [  0.500000000000000,  0.750000000000000,  0.375000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 5    coordinates: [  0.000000000000000,  0.250000000000000,  0.875000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 6    coordinates: [  0.500000000000000,  0.250000000000000,  0.875000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 7    coordinates: [  0.000000000000000,  0.750000000000000,  0.875000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 8    coordinates: [  0.500000000000000,  0.750000000000000,  0.875000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 9    coordinates: [  0.000000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 10    coordinates: [  0.500000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 11    coordinates: [  0.000000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 12    coordinates: [  0.500000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 13    coordinates: [  0.000000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 14    coordinates: [  0.500000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 15    coordinates: [  0.000000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 16    coordinates: [  0.500000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 17    coordinates: [  0.250000000000000,  0.000000000000000,  0.125000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 18    coordinates: [  0.750000000000000,  0.000000000000000,  0.125000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 19    coordinates: [  0.250000000000000,  0.500000000000000,  0.125000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 20    coordinates: [  0.750000000000000,  0.500000000000000,  0.125000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 21    coordinates: [  0.250000000000000,  0.000000000000000,  0.625000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 22    coordinates: [  0.750000000000000,  0.000000000000000,  0.625000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 23    coordinates: [  0.250000000000000,  0.500000000000000,  0.625000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 24    coordinates: [  0.750000000000000,  0.500000000000000,  0.625000000000000 ]    mass: 6.941000    reduced_to: 1  - symbol: Li # 25    coordinates: [  0.250000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 26    coordinates: [  0.750000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 27    coordinates: [  0.250000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 28    coordinates: [  0.750000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 29    coordinates: [  0.250000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 30    coordinates: [  0.750000000000000,  0.250000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 31    coordinates: [  0.250000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: Li # 32    coordinates: [  0.750000000000000,  0.750000000000000,  0.500000000000000 ]    mass: 6.941000    reduced_to: 9  - symbol: N  # 33    coordinates: [  0.164818195000000,  0.125000000000000,  0.312500000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 34    coordinates: [  0.664818195000000,  0.125000000000000,  0.312500000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 35    coordinates: [  0.164818195000000,  0.625000000000000,  0.312500000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 36    coordinates: [  0.664818195000000,  0.625000000000000,  0.312500000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 37    coordinates: [  0.164818195000000,  0.125000000000000,  0.812500000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 38    coordinates: [  0.664818195000000,  0.125000000000000,  0.812500000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 39    coordinates: [  0.164818195000000,  0.625000000000000,  0.812500000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 40    coordinates: [  0.664818195000000,  0.625000000000000,  0.812500000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 41    coordinates: [  0.335181805000000,  0.375000000000000,  0.312500000000000 ]    mass: 14.006700    reduced_to: 41  - symbol: N  # 42    coordinates: [  0.835181805000000,  0.375000000000000,  0.312500000000000 ]    mass: 14.006700    reduced_to: 41  - symbol: N  # 43    coordinates: [  0.335181805000000,  0.875000000000000,  0.312500000000000 ]    mass: 14.006700    reduced_to: 41  - symbol: N  # 44    coordinates: [  0.835181805000000,  0.875000000000000,  0.312500000000000 ]    mass: 14.006700    reduced_to: 41  - symbol: N  # 45    coordinates: [  0.335181805000000,  0.375000000000000,  0.812500000000000 ]    mass: 14.006700    reduced_to: 41  - symbol: N  # 46    coordinates: [  0.835181805000000,  0.375000000000000,  0.812500000000000 ]    mass: 14.006700    reduced_to: 41  - symbol: N  # 47    coordinates: [  0.335181805000000,  0.875000000000000,  0.812500000000000 ]    mass: 14.006700    reduced_to: 41  - symbol: N  # 48    coordinates: [  0.835181805000000,  0.875000000000000,  0.812500000000000 ]    mass: 14.006700    reduced_to: 41  - symbol: N  # 49    coordinates: [  0.375000000000000,  0.164818195000000,  0.187500000000000 ]    mass: 14.006700    reduced_to: 49  - symbol: N  # 50    coordinates: [  0.875000000000000,  0.164818195000000,  0.187500000000000 ]    mass: 14.006700    reduced_to: 49  - symbol: N  # 51    coordinates: [  0.375000000000000,  0.664818195000000,  0.187500000000000 ]    mass: 14.006700    reduced_to: 49  - symbol: N  # 52    coordinates: [  0.875000000000000,  0.664818195000000,  0.187500000000000 ]    mass: 14.006700    reduced_to: 49  - symbol: N  # 53    coordinates: [  0.375000000000000,  0.164818195000000,  0.687500000000000 ]    mass: 14.006700    reduced_to: 49  - symbol: N  # 54    coordinates: [  0.875000000000000,  0.164818195000000,  0.687500000000000 ]    mass: 14.006700    reduced_to: 49  - symbol: N  # 55    coordinates: [  0.375000000000000,  0.664818195000000,  0.687500000000000 ]    mass: 14.006700    reduced_to: 49  - symbol: N  # 56    coordinates: [  0.875000000000000,  0.664818195000000,  0.687500000000000 ]    mass: 14.006700    reduced_to: 49  - symbol: N  # 57    coordinates: [  0.125000000000000,  0.335181805000000,  0.187500000000000 ]    mass: 14.006700    reduced_to: 57  - symbol: N  # 58    coordinates: [  0.625000000000000,  0.335181805000000,  0.187500000000000 ]    mass: 14.006700    reduced_to: 57  - symbol: N  # 59    coordinates: [  0.125000000000000,  0.835181805000000,  0.187500000000000 ]    mass: 14.006700    reduced_to: 57  - symbol: N  # 60    coordinates: [  0.625000000000000,  0.835181805000000,  0.187500000000000 ]    mass: 14.006700    reduced_to: 57  - symbol: N  # 61    coordinates: [  0.125000000000000,  0.335181805000000,  0.687500000000000 ]    mass: 14.006700    reduced_to: 57  - symbol: N  # 62    coordinates: [  0.625000000000000,  0.335181805000000,  0.687500000000000 ]    mass: 14.006700    reduced_to: 57  - symbol: N  # 63    coordinates: [  0.125000000000000,  0.835181805000000,  0.687500000000000 ]    mass: 14.006700    reduced_to: 57  - symbol: N  # 64    coordinates: [  0.625000000000000,  0.835181805000000,  0.687500000000000 ]    mass: 14.006700    reduced_to: 57  - symbol: N  # 65    coordinates: [  0.414818195000000,  0.375000000000000,  0.062500000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 66    coordinates: [  0.914818195000000,  0.375000000000000,  0.062500000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 67    coordinates: [  0.414818195000000,  0.875000000000000,  0.062500000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 68    coordinates: [  0.914818195000000,  0.875000000000000,  0.062500000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 69    coordinates: [  0.414818195000000,  0.375000000000000,  0.562500000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 70    coordinates: [  0.914818195000000,  0.375000000000000,  0.562500000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 71    coordinates: [  0.414818195000000,  0.875000000000000,  0.562500000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 72    coordinates: [  0.914818195000000,  0.875000000000000,  0.562500000000000 ]    mass: 14.006700    reduced_to: 33  - symbol: N  # 73    coordinates: [  0.085181805000000,  0.125000000000000,  0.062500000000000 ]    mass: 14.006700    reduced_to: 41  - symbol: N  # 74    coordinates: [  0.585181805000000,  0.125000000000000,  0.062500000000000 ]    mass: 14.006700    reduced_to: 41  - symbol: N  # 75    coordinates: [  0.085181805000000,  0.625000000000000,  0.062500000000000 ]    mass: 14.006700    reduced_to: 41  - symbol: N  # 76    coordinates: [  0.585181805000000,  0.625000000000000,  0.062500000000000 ]    mass: 14.006700    reduced_to: 41  - symbol: N  # 77    coordinates: [  0.085181805000000,  0.125000000000000,  0.562500000000000 ]    mass: 14.006700    reduced_to: 41  - symbol: N  # 78    coordinates: [  0.585181805000000,  0.125000000000000,  0.562500000000000 ]    mass: 14.006700    reduced_to: 41  - symbol: N  # 79    coordinates: [  0.085181805000000,  0.625000000000000,  0.562500000000000 ]    mass: 14.006700    reduced_to: 41  - symbol: N  # 80    coordinates: [  0.585181805000000,  0.625000000000000,  0.562500000000000 ]    mass: 14.006700    reduced_to: 41  - symbol: N  # 81    coordinates: [  0.125000000000000,  0.414818195000000,  0.437500000000000 ]    mass: 14.006700    reduced_to: 49  - symbol: N  # 82    coordinates: [  0.625000000000000,  0.414818195000000,  0.437500000000000 ]    mass: 14.006700    reduced_to: 49  - symbol: N  # 83    coordinates: [  0.125000000000000,  0.914818195000000,  0.437500000000000 ]    mass: 14.006700    reduced_to: 49  - symbol: N  # 84    coordinates: [  0.625000000000000,  0.914818195000000,  0.437500000000000 ]    mass: 14.006700    reduced_to: 49  - symbol: N  # 85    coordinates: [  0.125000000000000,  0.414818195000000,  0.937500000000000 ]    mass: 14.006700    reduced_to: 49  - symbol: N  # 86    coordinates: [  0.625000000000000,  0.414818195000000,  0.937500000000000 ]    mass: 14.006700    reduced_to: 49  - symbol: N  # 87    coordinates: [  0.125000000000000,  0.914818195000000,  0.937500000000000 ]    mass: 14.006700    reduced_to: 49  - symbol: N  # 88    coordinates: [  0.625000000000000,  0.914818195000000,  0.937500000000000 ]    mass: 14.006700    reduced_to: 49  - symbol: N  # 89    coordinates: [  0.375000000000000,  0.085181805000000,  0.437500000000000 ]    mass: 14.006700    reduced_to: 57  - symbol: N  # 90    coordinates: [  0.875000000000000,  0.085181805000000,  0.437500000000000 ]    mass: 14.006700    reduced_to: 57  - symbol: N  # 91    coordinates: [  0.375000000000000,  0.585181805000000,  0.437500000000000 ]    mass: 14.006700    reduced_to: 57  - symbol: N  # 92    coordinates: [  0.875000000000000,  0.585181805000000,  0.437500000000000 ]    mass: 14.006700    reduced_to: 57  - symbol: N  # 93    coordinates: [  0.375000000000000,  0.085181805000000,  0.937500000000000 ]    mass: 14.006700    reduced_to: 57  - symbol: N  # 94    coordinates: [  0.875000000000000,  0.085181805000000,  0.937500000000000 ]    mass: 14.006700    reduced_to: 57  - symbol: N  # 95    coordinates: [  0.375000000000000,  0.585181805000000,  0.937500000000000 ]    mass: 14.006700    reduced_to: 57  - symbol: N  # 96    coordinates: [  0.875000000000000,  0.585181805000000,  0.937500000000000 ]    mass: 14.006700    reduced_to: 57  - symbol: P  # 97    coordinates: [  0.000000000000000,  0.250000000000000,  0.125000000000000 ]    mass: 30.973762    reduced_to: 97  - symbol: P  # 98    coordinates: [  0.500000000000000,  0.250000000000000,  0.125000000000000 ]    mass: 30.973762    reduced_to: 97  - symbol: P  # 99    coordinates: [  0.000000000000000,  0.750000000000000,  0.125000000000000 ]    mass: 30.973762    reduced_to: 97  - symbol: P  # 100    coordinates: [  0.500000000000000,  0.750000000000000,  0.125000000000000 ]    mass: 30.973762    reduced_to: 97  - symbol: P  # 101    coordinates: [  0.000000000000000,  0.250000000000000,  0.625000000000000 ]    mass: 30.973762    reduced_to: 97  - symbol: P  # 102    coordinates: [  0.500000000000000,  0.250000000000000,  0.625000000000000 ]    mass: 30.973762    reduced_to: 97  - symbol: P  # 103    coordinates: [  0.000000000000000,  0.750000000000000,  0.625000000000000 ]    mass: 30.973762    reduced_to: 97  - symbol: P  # 104    coordinates: [  0.500000000000000,  0.750000000000000,  0.625000000000000 ]    mass: 30.973762    reduced_to: 97  - symbol: P  # 105    coordinates: [  0.250000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 30.973762    reduced_to: 105  - symbol: P  # 106    coordinates: [  0.750000000000000,  0.250000000000000,  0.250000000000000 ]    mass: 30.973762    reduced_to: 105  - symbol: P  # 107    coordinates: [  0.250000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 30.973762    reduced_to: 105  - symbol: P  # 108    coordinates: [  0.750000000000000,  0.750000000000000,  0.250000000000000 ]    mass: 30.973762    reduced_to: 105  - symbol: P  # 109    coordinates: [  0.250000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 30.973762    reduced_to: 105  - symbol: P  # 110    coordinates: [  0.750000000000000,  0.250000000000000,  0.750000000000000 ]    mass: 30.973762    reduced_to: 105  - symbol: P  # 111    coordinates: [  0.250000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 30.973762    reduced_to: 105  - symbol: P  # 112    coordinates: [  0.750000000000000,  0.750000000000000,  0.750000000000000 ]    mass: 30.973762    reduced_to: 105  - symbol: P  # 113    coordinates: [  0.250000000000000,  0.000000000000000,  0.375000000000000 ]    mass: 30.973762    reduced_to: 97  - symbol: P  # 114    coordinates: [  0.750000000000000,  0.000000000000000,  0.375000000000000 ]    mass: 30.973762    reduced_to: 97  - symbol: P  # 115    coordinates: [  0.250000000000000,  0.500000000000000,  0.375000000000000 ]    mass: 30.973762    reduced_to: 97  - symbol: P  # 116    coordinates: [  0.750000000000000,  0.500000000000000,  0.375000000000000 ]    mass: 30.973762    reduced_to: 97  - symbol: P  # 117    coordinates: [  0.250000000000000,  0.000000000000000,  0.875000000000000 ]    mass: 30.973762    reduced_to: 97  - symbol: P  # 118    coordinates: [  0.750000000000000,  0.000000000000000,  0.875000000000000 ]    mass: 30.973762    reduced_to: 97  - symbol: P  # 119    coordinates: [  0.250000000000000,  0.500000000000000,  0.875000000000000 ]    mass: 30.973762    reduced_to: 97  - symbol: P  # 120    coordinates: [  0.750000000000000,  0.500000000000000,  0.875000000000000 ]    mass: 30.973762    reduced_to: 97  - symbol: P  # 121    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 30.973762    reduced_to: 105  - symbol: P  # 122    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 30.973762    reduced_to: 105  - symbol: P  # 123    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 30.973762    reduced_to: 105  - symbol: P  # 124    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 30.973762    reduced_to: 105  - symbol: P  # 125    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 30.973762    reduced_to: 105  - symbol: P  # 126    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 30.973762    reduced_to: 105  - symbol: P  # 127    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 30.973762    reduced_to: 105  - symbol: P  # 128    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 30.973762    reduced_to: 105born_effective_charge:- # 1 (Li)  - [  1.054626630000000, -0.042658010000000, -0.000000000000000 ]  - [  0.042658010000000,  1.054626630000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.055170880000000 ]- # 2 (Li)  - [  1.054626630000000,  0.042658010000000,  0.000000000000000 ]  - [ -0.042658010000000,  1.054626630000000,  0.000000000000000 ]  - [ -0.000000000000000,  0.000000000000000,  1.055170880000000 ]- # 3 (N)  - [ -1.902006100000000, -0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -2.897143750000000,  0.936791420000000 ]  - [ -0.000000000000000,  0.943833220000000, -2.487004740000000 ]- # 4 (N)  - [ -1.902006100000000, -0.000000000000000, -0.000000000000000 ]  - [  0.000000000000000, -2.897143750000000, -0.936791420000000 ]  - [  0.000000000000000, -0.943833220000000, -2.487004740000000 ]- # 5 (N)  - [ -2.897143750000000, -0.000000000000000,  0.936791420000000 ]  - [  0.000000000000000, -1.902006100000000, -0.000000000000000 ]  - [  0.943833220000000,  0.000000000000000, -2.487004740000000 ]- # 6 (N)  - [ -2.897143750000000, -0.000000000000000, -0.936791420000000 ]  - [  0.000000000000000, -1.902006100000000,  0.000000000000000 ]  - [ -0.943833220000000, -0.000000000000000, -2.487004740000000 ]- # 7 (P)  - [  3.744523230000000,  0.841319740000000,  0.000000000000000 ]  - [ -0.841319740000000,  3.744523230000000, -0.000000000000000 ]  - [ -0.000000000000000, -0.000000000000000,  3.918838610000000 ]- # 8 (P)  - [  3.744523230000000, -0.841319740000000, -0.000000000000000 ]  - [  0.841319740000000,  3.744523230000000, -0.000000000000000 ]  - [  0.000000000000000, -0.000000000000000,  3.918838610000001 ]dielectric_constant:  - [  4.221046990000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  4.221046990000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  4.438603900000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0492437400000000, -0.0000057700000000,  0.0001915600000000 ]  - [   0.0013992000000000, -0.0001200800000000,  0.0000095400000000 ]  - [  -0.0008120000000000,  0.0001190200000000, -0.0000111300000000 ]  - [   0.0005946800000000,  0.0000040100000000, -0.0000038900000000 ]  - [  -0.0000430900000000, -0.0000065500000000, -0.0000115300000000 ]  - [   0.0000130900000000,  0.0000082600000000, -0.0000051900000000 ]  - [  -0.0000341300000000,  0.0000084200000000,  0.0000018100000000 ]  - [   0.0000361200000000, -0.0000159400000000,  0.0000036800000000 ]  - [  -0.0020274400000000,  0.0001346100000000,  0.0001345900000000 ]  - [   0.0009068700000000,  0.0001076300000000,  0.0000624900000000 ]  - [  -0.0020192500000000,  0.0001150000000000, -0.0001235300000000 ]  - [   0.0009035100000000,  0.0001094900000000, -0.0000748200000000 ]  - [  -0.0000864200000000, -0.0000236700000000,  0.0000332100000000 ]  - [   0.0000343600000000, -0.0000003200000000, -0.0000110800000000 ]  - [  -0.0001005900000000, -0.0000424200000000, -0.0000446300000000 ]  - [   0.0000414100000000,  0.0000028500000000,  0.0000062000000000 ]  - [   0.0001113100000000, -0.0002460200000000, -0.0006201200000000 ]  - [   0.0001499500000000,  0.0002300800000000,  0.0003336900000000 ]  - [   0.0001307900000000,  0.0002408800000000, -0.0003370800000000 ]  - [   0.0001061200000000, -0.0002243500000000,  0.0006243700000000 ]  - [   0.0000917400000000, -0.0000678600000000,  0.0001979600000000 ]  - [   0.0001465800000000,  0.0000887800000000, -0.0003981700000000 ]  - [   0.0001518000000000,  0.0000716100000000,  0.0003970300000000 ]  - [   0.0001051900000000, -0.0000832800000000, -0.0001905900000000 ]  - [   0.0000541200000000, -0.0000309900000000, -0.0002345900000000 ]  - [   0.0000563500000000, -0.0000414300000000,  0.0002379500000000 ]  - [   0.0000062000000000, -0.0000097400000000, -0.0000602200000000 ]  - [  -0.0000019700000000,  0.0000083600000000,  0.0000832700000000 ]  - [   0.0031818600000000,  0.0001173300000000,  0.0035371600000000 ]  - [   0.0031462400000000,  0.0001160900000000, -0.0034778700000000 ]  - [   0.0001630600000000,  0.0001130700000000,  0.0002297800000000 ]  - [   0.0001735800000000,  0.0001113400000000, -0.0002203400000000 ]  - [   0.0078716900000000, -0.0022878000000000, -0.0026952600000000 ]  - [  -0.0017791900000000, -0.0014891500000000, -0.0007884200000000 ]  - [   0.0003499200000000, -0.0014416100000000,  0.0012515600000000 ]  - [  -0.0010463400000000,  0.0018862700000000, -0.0000642500000000 ]  - [   0.0002994100000000,  0.0000072700000000, -0.0000444100000000 ]  - [   0.0001639000000000, -0.0000224500000000, -0.0000168300000000 ]  - [   0.0001998700000000,  0.0000428500000000, -0.0000090600000000 ]  - [   0.0003041100000000,  0.0000045200000000,  0.0000161900000000 ]  - [  -0.0022589700000000, -0.0014853800000000,  0.0007983000000000 ]  - [   0.0068805700000000, -0.0020119900000000,  0.0024937700000000 ]  - [  -0.0014372300000000,  0.0018574400000000,  0.0000801100000000 ]  - [  -0.0002398000000000, -0.0014697000000000, -0.0012416900000000 ]  - [  -0.0003147200000000, -0.0000184100000000,  0.0000042100000000 ]  - [  -0.0002953800000000,  0.0000193300000000,  0.0000190700000000 ]  - [  -0.0002364000000000,  0.0000416500000000, -0.0000282600000000 ]  - [  -0.0001985400000000, -0.0000244800000000,  0.0000578600000000 ]  - [  -0.0025371400000000, -0.0002398300000000,  0.0018152100000000 ]  - [   0.0018590400000000,  0.0000192600000000, -0.0035358400000000 ]  - [  -0.0008091100000000,  0.0000452100000000,  0.0007378600000000 ]  - [   0.0009011700000000,  0.0007481900000000, -0.0008343200000000 ]  - [  -0.0001065800000000,  0.0002143400000000,  0.0000177200000000 ]  - [   0.0003370900000000,  0.0001626000000000,  0.0000223100000000 ]  - [  -0.0001308600000000,  0.0003256300000000, -0.0000273200000000 ]  - [   0.0002195700000000,  0.0001056000000000,  0.0000826800000000 ]  - [   0.0018852600000000, -0.0006014600000000,  0.0035361600000000 ]  - [  -0.0025700300000000, -0.0007236300000000, -0.0018123400000000 ]  - [   0.0009345100000000,  0.0001536400000000,  0.0008137800000000 ]  - [  -0.0008409800000000, -0.0004716500000000, -0.0007295300000000 ]  - [   0.0003173200000000, -0.0004382300000000, -0.0000049400000000 ]  - [  -0.0001382200000000, -0.0003325900000000, -0.0000057100000000 ]  - [   0.0002079600000000, -0.0004439300000000, -0.0000702400000000 ]  - [  -0.0001649800000000, -0.0002217400000000,  0.0000663600000000 ]  - [  -0.0004510300000000, -0.0002450300000000,  0.0001030500000000 ]  - [   0.0011572400000000,  0.0004161700000000, -0.0003485800000000 ]  - [  -0.0000111400000000,  0.0000185100000000,  0.0001415700000000 ]  - [   0.0007009500000000,  0.0000674000000000, -0.0001658200000000 ]  - [  -0.0007216300000000,  0.0000428900000000, -0.0001668500000000 ]  - [   0.0024492400000000,  0.0004838600000000,  0.0012435700000000 ]  - [  -0.0003484900000000,  0.0002325500000000, -0.0002465900000000 ]  - [   0.0015971700000000, -0.0015568300000000,  0.0016638700000000 ]  - [   0.0007436200000000,  0.0004745100000000,  0.0003171900000000 ]  - [  -0.0008938300000000, -0.0001720400000000, -0.0001473400000000 ]  - [   0.0000413500000000,  0.0000330200000000,  0.0001903800000000 ]  - [  -0.0006343000000000, -0.0000347300000000, -0.0001200200000000 ]  - [   0.0018413000000000,  0.0004732300000000, -0.0012375700000000 ]  - [  -0.0013672400000000,  0.0000447200000000,  0.0001578000000000 ]  - [   0.0011168500000000, -0.0014803400000000, -0.0017143500000000 ]  - [  -0.0007878900000000,  0.0002884400000000,  0.0002071100000000 ]  - [   0.0083172400000000,  0.0019881300000000,  0.0002245000000000 ]  - [  -0.0026538000000000,  0.0014611700000000,  0.0017718000000000 ]  - [   0.0023183900000000,  0.0009745300000000, -0.0015779100000000 ]  - [  -0.0019326400000000, -0.0000073500000000,  0.0008367800000000 ]  - [   0.0001421300000000,  0.0002224100000000,  0.0000322200000000 ]  - [  -0.0000466000000000,  0.0001849800000000,  0.0000255500000000 ]  - [  -0.0000291000000000,  0.0002915300000000, -0.0000262500000000 ]  - [  -0.0000643600000000,  0.0002690200000000, -0.0000046800000000 ]  - [  -0.0026121800000000,  0.0009066900000000, -0.0017883400000000 ]  - [   0.0081951900000000,  0.0012026800000000, -0.0001350600000000 ]  - [  -0.0019214900000000, -0.0003515900000000, -0.0008300900000000 ]  - [   0.0022534500000000,  0.0005473200000000,  0.0016064500000000 ]  - [  -0.0001107200000000, -0.0002024500000000, -0.0000048600000000 ]  - [   0.0000450100000000, -0.0002320900000000,  0.0000132400000000 ]  - [  -0.0000184200000000, -0.0003640000000000, -0.0000136900000000 ]  - [   0.0000945400000000, -0.0001638500000000, -0.0000449400000000 ]  - [  -0.0054409700000000, -0.0025535800000000,  0.0000634300000000 ]  - [   0.0024201100000000,  0.0010392900000000,  0.0000098400000000 ]  - [  -0.0015783000000000, -0.0005123000000000, -0.0000141100000000 ]  - [   0.0012114000000000,  0.0004379400000000, -0.0000222200000000 ]  - [  -0.0019671500000000,  0.0016304800000000, -0.0000029500000000 ]  - [   0.0005440600000000, -0.0003466400000000, -0.0000269100000000 ]  - [  -0.0010561500000000,  0.0008406200000000,  0.0000146500000000 ]  - [   0.0003232300000000, -0.0001332100000000,  0.0000331900000000 ]  - [   0.0084931700000000,  0.0022669900000000, -0.0102827400000000 ]  - [   0.0085062100000000,  0.0023278900000000,  0.0101666000000000 ]  - [   0.0000553400000000, -0.0001367900000000, -0.0015464100000000 ]  - [   0.0001180000000000, -0.0000797400000000,  0.0015150800000000 ]  - [   0.0000777100000000, -0.0000178300000000,  0.0001784700000000 ]  - [   0.0001364300000000,  0.0000150000000000, -0.0002057400000000 ]  - [   0.0001279900000000, -0.0000025900000000,  0.0000553500000000 ]  - [   0.0000848000000000, -0.0000533000000000, -0.0001105300000000 ]  - [   0.0046596500000000, -0.0076777900000000,  0.0043105600000000 ]  - [   0.0049843100000000,  0.0057379800000000,  0.0002809300000000 ]  - [   0.0048644800000000,  0.0057803800000000, -0.0002947900000000 ]  - [   0.0046365900000000, -0.0077605000000000, -0.0043524600000000 ]  - [  -0.0000212500000000,  0.0000100200000000, -0.0000244500000000 ]  - [   0.0000368000000000, -0.0000214400000000,  0.0000704900000000 ]  - [   0.0001056200000000, -0.0000131500000000,  0.0000133200000000 ]  - [   0.0000176600000000,  0.0000136100000000, -0.0000719300000000 ]  - [  -0.0003515600000000, -0.0001034400000000,  0.0000030600000000 ]  - [   0.0002506300000000,  0.0000306900000000,  0.0000135300000000 ]  - [  -0.0003113100000000, -0.0000427200000000,  0.0000377200000000 ]  - [   0.0001830700000000,  0.0001368500000000,  0.0000041800000000 ]  - [  -0.0088894400000000,  0.0013427000000000, -0.0027838000000000 ]  - [   0.0026098600000000, -0.0008961400000000,  0.0004738900000000 ]  - [  -0.0088446000000000,  0.0012248800000000,  0.0027860500000000 ]  - [   0.0026424700000000, -0.0009958300000000, -0.0004176800000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000, -0.0313198700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0005310500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0005295800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0003928800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005990700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003448300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003435700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002305500000000 ]  - [  -0.0001227400000000,  0.0034930900000000,  0.0009849600000000 ]  - [  -0.0000683400000000,  0.0002245100000000, -0.0001439000000000 ]  - [   0.0001227400000000, -0.0034930900000000,  0.0009849600000000 ]  - [   0.0000683400000000, -0.0002245100000000, -0.0001439000000000 ]  - [  -0.0000389700000000, -0.0002348300000000,  0.0006345700000000 ]  - [   0.0000087200000000, -0.0000701900000000,  0.0002018500000000 ]  - [   0.0000389700000000,  0.0002348300000000,  0.0006345700000000 ]  - [  -0.0000087200000000,  0.0000701900000000,  0.0002018500000000 ]  - [  -0.0001948900000000,  0.0003281700000000,  0.0001744000000000 ]  - [   0.0003883100000000,  0.0006165100000000,  0.0001718900000000 ]  - [  -0.0003883100000000, -0.0006165100000000,  0.0001718900000000 ]  - [   0.0001948900000000, -0.0003281700000000,  0.0001744000000000 ]  - [   0.0006229000000000, -0.0003933500000000,  0.0001710900000000 ]  - [  -0.0003294800000000, -0.0001972300000000,  0.0001687300000000 ]  - [   0.0003294800000000,  0.0001972300000000,  0.0001687300000000 ]  - [  -0.0006229000000000,  0.0003933500000000,  0.0001710900000000 ]  - [  -0.0002309800000000,  0.0000380000000000,  0.0006322300000000 ]  - [   0.0002309800000000, -0.0000380000000000,  0.0006322300000000 ]  - [  -0.0000699100000000, -0.0000089700000000,  0.0002019600000000 ]  - [   0.0000699100000000,  0.0000089700000000,  0.0002019600000000 ]  - [   0.0035247700000000,  0.0001289400000000,  0.0009786600000000 ]  - [  -0.0035247700000000, -0.0001289400000000,  0.0009786600000000 ]  - [   0.0002243600000000,  0.0000665700000000, -0.0001476400000000 ]  - [  -0.0002243600000000, -0.0000665700000000, -0.0001476400000000 ]  - [  -0.0028813300000000,  0.0010077400000000,  0.0082298300000000 ]  - [  -0.0000004100000000, -0.0015882800000000,  0.0022812600000000 ]  - [  -0.0000609100000000, -0.0007557900000000,  0.0020294900000000 ]  - [  -0.0000588100000000,  0.0011878100000000,  0.0007508300000000 ]  - [   0.0000755600000000,  0.0005651700000000, -0.0011397900000000 ]  - [   0.0004398200000000,  0.0003803600000000, -0.0009682800000000 ]  - [   0.0002009500000000,  0.0002575700000000, -0.0008255500000000 ]  - [   0.0003632200000000,  0.0001554500000000, -0.0006878700000000 ]  - [   0.0000004100000000,  0.0015882800000000,  0.0022812600000000 ]  - [   0.0028813300000000, -0.0010077400000000,  0.0082298300000000 ]  - [   0.0000588100000000, -0.0011878100000000,  0.0007508300000000 ]  - [   0.0000609100000000,  0.0007557900000000,  0.0020294900000000 ]  - [  -0.0004398200000000, -0.0003803600000000, -0.0009682800000000 ]  - [  -0.0000755600000000, -0.0005651700000000, -0.0011397900000000 ]  - [  -0.0003632200000000, -0.0001554500000000, -0.0006878700000000 ]  - [  -0.0002009500000000, -0.0002575700000000, -0.0008255500000000 ]  - [   0.0009364900000000, -0.0000212600000000, -0.0002723000000000 ]  - [  -0.0023097600000000, -0.0000871200000000, -0.0038601800000000 ]  - [  -0.0000509900000000,  0.0003297700000000,  0.0001372200000000 ]  - [  -0.0002048000000000,  0.0008490000000000,  0.0002745600000000 ]  - [  -0.0003581800000000,  0.0003403300000000, -0.0004099900000000 ]  - [   0.0014212200000000,  0.0004353200000000, -0.0019362800000000 ]  - [  -0.0000826500000000,  0.0002528900000000, -0.0002723100000000 ]  - [   0.0005319500000000, -0.0000553400000000, -0.0008342700000000 ]  - [   0.0023097600000000,  0.0000871200000000, -0.0038601800000000 ]  - [  -0.0009364900000000,  0.0000212600000000, -0.0002723000000000 ]  - [   0.0002048000000000, -0.0008490000000000,  0.0002745600000000 ]  - [   0.0000509900000000, -0.0003297700000000,  0.0001372200000000 ]  - [  -0.0014212200000000, -0.0004353200000000, -0.0019362800000000 ]  - [   0.0003581800000000, -0.0003403300000000, -0.0004099900000000 ]  - [  -0.0005319500000000,  0.0000553400000000, -0.0008342700000000 ]  - [   0.0000826500000000, -0.0002528900000000, -0.0002723100000000 ]  - [   0.0005964800000000,  0.0005347300000000, -0.0008381100000000 ]  - [   0.0001182800000000,  0.0014089600000000, -0.0019231900000000 ]  - [   0.0002966400000000, -0.0000814300000000, -0.0002769400000000 ]  - [   0.0002043900000000, -0.0003507800000000, -0.0004158200000000 ]  - [  -0.0002985900000000, -0.0002116700000000,  0.0002852900000000 ]  - [   0.0006373000000000, -0.0023524600000000, -0.0038988100000000 ]  - [   0.0002169200000000, -0.0000509800000000,  0.0001466400000000 ]  - [   0.0005838400000000,  0.0009332400000000, -0.0002496300000000 ]  - [  -0.0001182800000000, -0.0014089600000000, -0.0019231900000000 ]  - [  -0.0005964800000000, -0.0005347300000000, -0.0008381100000000 ]  - [  -0.0002043900000000,  0.0003507800000000, -0.0004158200000000 ]  - [  -0.0002966400000000,  0.0000814300000000, -0.0002769400000000 ]  - [  -0.0006373000000000,  0.0023524600000000, -0.0038988100000000 ]  - [   0.0002985900000000,  0.0002116700000000,  0.0002852900000000 ]  - [  -0.0005838400000000, -0.0009332400000000, -0.0002496300000000 ]  - [  -0.0002169200000000,  0.0000509800000000,  0.0001466400000000 ]  - [   0.0011186700000000,  0.0036036700000000,  0.0082781700000000 ]  - [  -0.0007595300000000,  0.0006077200000000,  0.0020393800000000 ]  - [  -0.0015867500000000,  0.0005461700000000,  0.0022969200000000 ]  - [   0.0011688500000000,  0.0006046100000000,  0.0007548000000000 ]  - [   0.0005602600000000,  0.0004674800000000, -0.0011394900000000 ]  - [   0.0002608900000000,  0.0003489500000000, -0.0008257900000000 ]  - [   0.0003806300000000,  0.0001131200000000, -0.0009655300000000 ]  - [   0.0001595700000000,  0.0001882200000000, -0.0006892900000000 ]  - [   0.0007595300000000, -0.0006077200000000,  0.0020393800000000 ]  - [  -0.0011186700000000, -0.0036036700000000,  0.0082781700000000 ]  - [  -0.0011688500000000, -0.0006046100000000,  0.0007548000000000 ]  - [   0.0015867500000000, -0.0005461700000000,  0.0022969200000000 ]  - [  -0.0002608900000000, -0.0003489500000000, -0.0008257900000000 ]  - [  -0.0005602600000000, -0.0004674800000000, -0.0011394900000000 ]  - [  -0.0001595700000000, -0.0001882200000000, -0.0006892900000000 ]  - [  -0.0003806300000000, -0.0001131200000000, -0.0009655300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0065871400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0009780400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002184100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001530400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0066644600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002393600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0009672800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001461600000000 ]  - [  -0.0096225200000000,  0.0005699600000000,  0.0013772500000000 ]  - [   0.0096225200000000, -0.0005699600000000,  0.0013772500000000 ]  - [   0.0002779000000000,  0.0006244800000000, -0.0004699900000000 ]  - [  -0.0002779000000000, -0.0006244800000000, -0.0004699900000000 ]  - [   0.0010423200000000, -0.0003927500000000,  0.0018096300000000 ]  - [  -0.0010423200000000,  0.0003927500000000,  0.0018096300000000 ]  - [   0.0005011600000000, -0.0001951100000000,  0.0010150500000000 ]  - [  -0.0005011600000000,  0.0001951100000000,  0.0010150500000000 ]  - [  -0.0000215900000000,  0.0032545600000000, -0.0056277300000000 ]  - [  -0.0032068300000000,  0.0000121800000000, -0.0055900700000000 ]  - [   0.0032068300000000, -0.0000121800000000, -0.0055900700000000 ]  - [   0.0000215900000000, -0.0032545600000000, -0.0056277300000000 ]  - [   0.0000042700000000, -0.0002631100000000,  0.0014241000000000 ]  - [   0.0002589400000000, -0.0000017300000000,  0.0014207400000000 ]  - [  -0.0002589400000000,  0.0000017300000000,  0.0014207400000000 ]  - [  -0.0000042700000000,  0.0002631100000000,  0.0014241000000000 ]  - [   0.0003931900000000,  0.0010340800000000,  0.0018043200000000 ]  - [   0.0001918400000000,  0.0004951200000000,  0.0010180000000000 ]  - [  -0.0003931900000000, -0.0010340800000000,  0.0018043200000000 ]  - [  -0.0001918400000000, -0.0004951200000000,  0.0010180000000000 ]  - [  -0.0006351100000000, -0.0097139600000000,  0.0013108400000000 ]  - [  -0.0006191700000000,  0.0002733600000000, -0.0004874100000000 ]  - [   0.0006351100000000,  0.0097139600000000,  0.0013108400000000 ]  - [   0.0006191700000000, -0.0002733600000000, -0.0004874100000000 ]- atom:   33  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0071446500000000, -0.0013970400000000, -0.0030632400000000 ]  - [  -0.0020410900000000, -0.0007813500000000, -0.0002687000000000 ]  - [   0.0000576400000000, -0.0011689400000000, -0.0003376900000000 ]  - [  -0.0012219700000000,  0.0002015800000000, -0.0003342100000000 ]  - [  -0.0000069000000000, -0.0000128500000000, -0.0001967900000000 ]  - [  -0.0000181700000000, -0.0000233600000000,  0.0001645000000000 ]  - [   0.0000018200000000,  0.0000071500000000, -0.0000763500000000 ]  - [  -0.0000195300000000,  0.0000108700000000,  0.0000885100000000 ]  - [   0.0071446500000000,  0.0013970400000000,  0.0030632400000000 ]  - [  -0.0020410900000000,  0.0007813500000000,  0.0002687000000000 ]  - [   0.0000576400000000,  0.0011689400000000,  0.0003376900000000 ]  - [  -0.0012219700000000, -0.0002015800000000,  0.0003342100000000 ]  - [  -0.0000069000000000,  0.0000128500000000,  0.0001967900000000 ]  - [  -0.0000181700000000,  0.0000233600000000, -0.0001645000000000 ]  - [   0.0000018200000000, -0.0000071500000000,  0.0000763500000000 ]  - [  -0.0000195300000000, -0.0000108700000000, -0.0000885100000000 ]  - [   0.0021259500000000,  0.0003089700000000,  0.0003560900000000 ]  - [  -0.0010318400000000, -0.0004146000000000, -0.0005755500000000 ]  - [   0.0013406700000000,  0.0004590300000000,  0.0002998700000000 ]  - [  -0.0005273900000000,  0.0001761100000000, -0.0000587100000000 ]  - [   0.0009144500000000,  0.0001564400000000, -0.0001597500000000 ]  - [  -0.0006629500000000,  0.0001905800000000,  0.0003240200000000 ]  - [   0.0004012800000000, -0.0000194600000000, -0.0000686700000000 ]  - [  -0.0003192200000000, -0.0000034200000000,  0.0000192200000000 ]  - [   0.0009144500000000, -0.0001564400000000,  0.0001597500000000 ]  - [  -0.0006629500000000, -0.0001905800000000, -0.0003240200000000 ]  - [   0.0004012800000000,  0.0000194600000000,  0.0000686700000000 ]  - [  -0.0003192200000000,  0.0000034200000000, -0.0000192200000000 ]  - [   0.0021259500000000, -0.0003089700000000, -0.0003560900000000 ]  - [  -0.0010318400000000,  0.0004146000000000,  0.0005755500000000 ]  - [   0.0013406700000000, -0.0004590300000000, -0.0002998700000000 ]  - [  -0.0005273900000000, -0.0001761100000000,  0.0000587100000000 ]  - [  -0.2049478500000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0036386100000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0030911200000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0015701600000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000696200000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0006060200000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0002067800000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0006171000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0005208800000000,  0.0156420800000000,  0.0000856300000000 ]  - [   0.0021619900000000, -0.0019798900000000, -0.0003916400000000 ]  - [  -0.0005208800000000, -0.0156420800000000, -0.0000856300000000 ]  - [   0.0021619900000000,  0.0019798900000000,  0.0003916400000000 ]  - [  -0.0006157200000000,  0.0000282500000000,  0.0000523700000000 ]  - [   0.0000838700000000,  0.0000176000000000, -0.0000079300000000 ]  - [  -0.0006157200000000, -0.0000282500000000, -0.0000523700000000 ]  - [   0.0000838700000000, -0.0000176000000000,  0.0000079300000000 ]  - [   0.0149927800000000,  0.0106982400000000, -0.0196921800000000 ]  - [   0.0064841200000000, -0.0018327600000000,  0.0044666200000000 ]  - [   0.0001002100000000,  0.0000844700000000, -0.0021266900000000 ]  - [   0.0002929200000000,  0.0002546400000000,  0.0000852700000000 ]  - [  -0.0006325800000000,  0.0003654300000000,  0.0006106300000000 ]  - [   0.0007595000000000,  0.0001094300000000, -0.0005725500000000 ]  - [  -0.0004814800000000,  0.0000822300000000,  0.0006315500000000 ]  - [   0.0004840500000000,  0.0003779000000000, -0.0004863300000000 ]  - [  -0.0030254800000000, -0.0105632500000000,  0.0114388000000000 ]  - [   0.0045623600000000, -0.0001133400000000,  0.0009110500000000 ]  - [  -0.0026551600000000,  0.0018672500000000, -0.0006229500000000 ]  - [   0.0017428500000000, -0.0003081100000000,  0.0007044500000000 ]  - [  -0.0005408300000000, -0.0003770800000000, -0.0004924200000000 ]  - [   0.0005130500000000, -0.0001032900000000,  0.0005736300000000 ]  - [  -0.0007006700000000, -0.0000547600000000, -0.0006402000000000 ]  - [   0.0007083900000000, -0.0003895400000000,  0.0004385500000000 ]  - [   0.0009157900000000,  0.0028150100000000, -0.0023480000000000 ]  - [   0.0009670200000000, -0.0012195000000000,  0.0017375900000000 ]  - [   0.0004125700000000, -0.0002727600000000, -0.0007381800000000 ]  - [   0.0004384200000000,  0.0004099500000000,  0.0003845200000000 ]  - [   0.0004125700000000,  0.0002727600000000,  0.0007381800000000 ]  - [   0.0004384200000000, -0.0004099500000000, -0.0003845200000000 ]  - [   0.0009157900000000, -0.0028150100000000,  0.0023480000000000 ]  - [   0.0009670200000000,  0.0012195000000000, -0.0017375900000000 ]  - [  -0.0009281100000000,  0.0011262900000000,  0.0019976900000000 ]  - [   0.0026295000000000, -0.0005700500000000, -0.0018682300000000 ]  - [  -0.0004827600000000, -0.0004879900000000,  0.0004611800000000 ]  - [   0.0004634000000000,  0.0001955300000000, -0.0002445800000000 ]  - [  -0.0009281100000000, -0.0011262900000000, -0.0019976900000000 ]  - [   0.0026295000000000,  0.0005700500000000,  0.0018682300000000 ]  - [  -0.0004827600000000,  0.0004879900000000, -0.0004611800000000 ]  - [   0.0004634000000000, -0.0001955300000000,  0.0002445800000000 ]  - [  -0.0026551600000000, -0.0018672500000000,  0.0006229500000000 ]  - [   0.0017428500000000,  0.0003081100000000, -0.0007044500000000 ]  - [  -0.0030254800000000,  0.0105632500000000, -0.0114388000000000 ]  - [   0.0045623600000000,  0.0001133400000000, -0.0009110500000000 ]  - [  -0.0007006700000000,  0.0000547600000000,  0.0006402000000000 ]  - [   0.0007083900000000,  0.0003895400000000, -0.0004385500000000 ]  - [  -0.0005408300000000,  0.0003770800000000,  0.0004924200000000 ]  - [   0.0005130500000000,  0.0001032900000000, -0.0005736300000000 ]  - [   0.0149927800000000, -0.0106982400000000,  0.0196921800000000 ]  - [   0.0064841200000000,  0.0018327600000000, -0.0044666200000000 ]  - [   0.0001002100000000, -0.0000844700000000,  0.0021266900000000 ]  - [   0.0002929200000000, -0.0002546400000000, -0.0000852700000000 ]  - [  -0.0006325800000000, -0.0003654300000000, -0.0006106300000000 ]  - [   0.0007595000000000, -0.0001094300000000,  0.0005725500000000 ]  - [  -0.0004814800000000, -0.0000822300000000, -0.0006315500000000 ]  - [   0.0004840500000000, -0.0003779000000000,  0.0004863300000000 ]  - [  -0.0010135900000000,  0.0003164100000000, -0.0065395700000000 ]  - [  -0.0087700300000000, -0.0057193200000000,  0.0020754200000000 ]  - [  -0.0002618400000000, -0.0002146300000000, -0.0001255000000000 ]  - [  -0.0018640100000000, -0.0004003000000000,  0.0004555700000000 ]  - [  -0.0005644800000000,  0.0010245600000000,  0.0016658800000000 ]  - [   0.0003473000000000, -0.0010344000000000, -0.0018658300000000 ]  - [   0.0003141600000000, -0.0009341800000000,  0.0014896200000000 ]  - [  -0.0008065000000000,  0.0004959000000000, -0.0011392700000000 ]  - [   0.0809736500000000,  0.0500297100000000, -0.0388845400000000 ]  - [  -0.0074932900000000,  0.0027443100000000,  0.0010836100000000 ]  - [   0.0076870100000000,  0.0030784900000000,  0.0074797600000000 ]  - [  -0.0021685000000000, -0.0012620200000000, -0.0016848900000000 ]  - [   0.0009455900000000, -0.0003458800000000, -0.0000189800000000 ]  - [  -0.0008878400000000,  0.0002729200000000, -0.0001151600000000 ]  - [   0.0010260300000000, -0.0003596600000000, -0.0000375400000000 ]  - [  -0.0007884500000000,  0.0002529100000000,  0.0001263800000000 ]  - [   0.0809736500000000, -0.0500297100000000,  0.0388845400000000 ]  - [  -0.0074932900000000, -0.0027443100000000, -0.0010836100000000 ]  - [   0.0076870100000000, -0.0030784900000000, -0.0074797600000000 ]  - [  -0.0021685000000000,  0.0012620200000000,  0.0016848900000000 ]  - [   0.0009455900000000,  0.0003458800000000,  0.0000189800000000 ]  - [  -0.0008878400000000, -0.0002729200000000,  0.0001151600000000 ]  - [   0.0010260300000000,  0.0003596600000000,  0.0000375400000000 ]  - [  -0.0007884500000000, -0.0002529100000000, -0.0001263800000000 ]  - [  -0.0005644800000000, -0.0010245600000000, -0.0016658800000000 ]  - [   0.0003473000000000,  0.0010344000000000,  0.0018658300000000 ]  - [   0.0003141600000000,  0.0009341800000000, -0.0014896200000000 ]  - [  -0.0008065000000000, -0.0004959000000000,  0.0011392700000000 ]  - [  -0.0010135900000000, -0.0003164100000000,  0.0065395700000000 ]  - [  -0.0087700300000000,  0.0057193200000000, -0.0020754200000000 ]  - [  -0.0002618400000000,  0.0002146300000000,  0.0001255000000000 ]  - [  -0.0018640100000000,  0.0004003000000000, -0.0004555700000000 ]- atom:   33  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0075832900000000,  0.0018313500000000,  0.0034216100000000 ]  - [   0.0020326600000000,  0.0007679500000000,  0.0002687500000000 ]  - [  -0.0000527000000000,  0.0011608400000000,  0.0003354400000000 ]  - [   0.0012232000000000, -0.0001980000000000,  0.0003335000000000 ]  - [   0.0000064600000000,  0.0000044500000000,  0.0001959200000000 ]  - [   0.0000150400000000,  0.0000259500000000, -0.0001629500000000 ]  - [  -0.0000053900000000, -0.0000026900000000,  0.0000745800000000 ]  - [   0.0000245500000000, -0.0000152700000000, -0.0000882300000000 ]  - [  -0.0075832900000000, -0.0018313500000000, -0.0034216100000000 ]  - [   0.0020326600000000, -0.0007679500000000, -0.0002687500000000 ]  - [  -0.0000527000000000, -0.0011608400000000, -0.0003354400000000 ]  - [   0.0012232000000000,  0.0001980000000000, -0.0003335000000000 ]  - [   0.0000064600000000, -0.0000044500000000, -0.0001959200000000 ]  - [   0.0000150400000000, -0.0000259500000000,  0.0001629500000000 ]  - [  -0.0000053900000000,  0.0000026900000000, -0.0000745800000000 ]  - [   0.0000245500000000,  0.0000152700000000,  0.0000882300000000 ]  - [  -0.0021076200000000, -0.0003041500000000, -0.0003693500000000 ]  - [   0.0010225100000000,  0.0004106400000000,  0.0005742400000000 ]  - [  -0.0013442500000000, -0.0004622800000000, -0.0003029900000000 ]  - [   0.0005304200000000, -0.0001759500000000,  0.0000568500000000 ]  - [  -0.0009136600000000, -0.0001543600000000,  0.0001551500000000 ]  - [   0.0006631600000000, -0.0001825100000000, -0.0003264100000000 ]  - [  -0.0003970000000000,  0.0000204200000000,  0.0000697900000000 ]  - [   0.0003161100000000, -0.0000064200000000, -0.0000206300000000 ]  - [  -0.0009136600000000,  0.0001543600000000, -0.0001551500000000 ]  - [   0.0006631600000000,  0.0001825100000000,  0.0003264100000000 ]  - [  -0.0003970000000000, -0.0000204200000000, -0.0000697900000000 ]  - [   0.0003161100000000,  0.0000064200000000,  0.0000206300000000 ]  - [  -0.0021076200000000,  0.0003041500000000,  0.0003693500000000 ]  - [   0.0010225100000000, -0.0004106400000000, -0.0005742400000000 ]  - [  -0.0013442500000000,  0.0004622800000000,  0.0003029900000000 ]  - [   0.0005304200000000,  0.0001759500000000, -0.0000568500000000 ]  - [   0.2060482900000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0030453600000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0036427300000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0010750800000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0006580400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0001140500000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0006874000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000580100000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000348000000000, -0.0154354700000000, -0.0000687400000000 ]  - [  -0.0026898100000000,  0.0019678100000000,  0.0004028400000000 ]  - [  -0.0000348000000000,  0.0154354700000000,  0.0000687400000000 ]  - [  -0.0026898100000000, -0.0019678100000000, -0.0004028400000000 ]  - [   0.0000930200000000, -0.0000422800000000, -0.0000475700000000 ]  - [  -0.0006223700000000,  0.0000068600000000, -0.0000115900000000 ]  - [   0.0000930200000000,  0.0000422800000000,  0.0000475700000000 ]  - [  -0.0006223700000000, -0.0000068600000000,  0.0000115900000000 ]  - [  -0.0148035000000000, -0.0100532300000000,  0.0193227700000000 ]  - [  -0.0064764200000000,  0.0023815500000000, -0.0044791100000000 ]  - [  -0.0001135400000000,  0.0003960200000000,  0.0021263100000000 ]  - [  -0.0003058500000000,  0.0002873400000000, -0.0000934700000000 ]  - [   0.0006324200000000,  0.0001381500000000, -0.0006081000000000 ]  - [  -0.0007642800000000,  0.0004737800000000,  0.0005678100000000 ]  - [   0.0004819200000000,  0.0004632800000000, -0.0006217000000000 ]  - [  -0.0004612800000000,  0.0001350800000000,  0.0004945700000000 ]  - [   0.0030012300000000,  0.0101383600000000, -0.0115571900000000 ]  - [  -0.0045464100000000, -0.0003905400000000, -0.0009053300000000 ]  - [   0.0026529400000000, -0.0023684700000000,  0.0006560700000000 ]  - [  -0.0017425600000000, -0.0002844900000000, -0.0007013000000000 ]  - [   0.0005242100000000, -0.0001424100000000,  0.0005029200000000 ]  - [  -0.0005174900000000, -0.0004581200000000, -0.0005728600000000 ]  - [   0.0007213900000000, -0.0004786000000000,  0.0006252800000000 ]  - [  -0.0007214100000000, -0.0001345900000000, -0.0004208800000000 ]  - [  -0.0004258900000000, -0.0027795400000000,  0.0023366000000000 ]  - [  -0.0004355000000000,  0.0012306000000000, -0.0017258200000000 ]  - [   0.0001453300000000,  0.0002690700000000,  0.0007401400000000 ]  - [   0.0001408200000000, -0.0004149600000000, -0.0003803000000000 ]  - [   0.0001453300000000, -0.0002690700000000, -0.0007401400000000 ]  - [   0.0001408200000000,  0.0004149600000000,  0.0003803000000000 ]  - [  -0.0004258900000000,  0.0027795400000000, -0.0023366000000000 ]  - [  -0.0004355000000000, -0.0012306000000000,  0.0017258200000000 ]  - [   0.0003893600000000, -0.0011101400000000, -0.0020013700000000 ]  - [  -0.0031917400000000,  0.0005702400000000,  0.0018597800000000 ]  - [  -0.0000326700000000,  0.0004773000000000, -0.0004337200000000 ]  - [  -0.0009915300000000, -0.0002086600000000,  0.0002532700000000 ]  - [   0.0003893600000000,  0.0011101400000000,  0.0020013700000000 ]  - [  -0.0031917400000000, -0.0005702400000000, -0.0018597800000000 ]  - [  -0.0000326700000000, -0.0004773000000000,  0.0004337200000000 ]  - [  -0.0009915300000000,  0.0002086600000000, -0.0002532700000000 ]  - [   0.0026529400000000,  0.0023684700000000, -0.0006560700000000 ]  - [  -0.0017425600000000,  0.0002844900000000,  0.0007013000000000 ]  - [   0.0030012300000000, -0.0101383600000000,  0.0115571900000000 ]  - [  -0.0045464100000000,  0.0003905400000000,  0.0009053300000000 ]  - [   0.0007213900000000,  0.0004786000000000, -0.0006252800000000 ]  - [  -0.0007214100000000,  0.0001345900000000,  0.0004208800000000 ]  - [   0.0005242100000000,  0.0001424100000000, -0.0005029200000000 ]  - [  -0.0005174900000000,  0.0004581200000000,  0.0005728600000000 ]  - [  -0.0148035000000000,  0.0100532300000000, -0.0193227700000000 ]  - [  -0.0064764200000000, -0.0023815500000000,  0.0044791100000000 ]  - [  -0.0001135400000000, -0.0003960200000000, -0.0021263100000000 ]  - [  -0.0003058500000000, -0.0002873400000000,  0.0000934700000000 ]  - [   0.0006324200000000, -0.0001381500000000,  0.0006081000000000 ]  - [  -0.0007642800000000, -0.0004737800000000, -0.0005678100000000 ]  - [   0.0004819200000000, -0.0004632800000000,  0.0006217000000000 ]  - [  -0.0004612800000000, -0.0001350800000000, -0.0004945700000000 ]  - [   0.0010128700000000, -0.0002926500000000,  0.0065102000000000 ]  - [   0.0087211300000000,  0.0056462500000000, -0.0020907900000000 ]  - [   0.0002353700000000,  0.0002216200000000,  0.0001112200000000 ]  - [   0.0018995500000000,  0.0004321700000000, -0.0004740200000000 ]  - [   0.0005322600000000, -0.0010260500000000, -0.0016546900000000 ]  - [  -0.0003191700000000,  0.0010311100000000,  0.0018342800000000 ]  - [  -0.0003087100000000,  0.0009529800000000, -0.0014906600000000 ]  - [   0.0008003500000000, -0.0005186100000000,  0.0011533700000000 ]  - [  -0.0809388800000000, -0.0483242600000000,  0.0374967600000000 ]  - [   0.0074734700000000, -0.0027638200000000, -0.0010578400000000 ]  - [  -0.0076922900000000, -0.0030927100000000, -0.0074239200000000 ]  - [   0.0021608000000000,  0.0012869000000000,  0.0016504800000000 ]  - [  -0.0009619800000000,  0.0003239900000000,  0.0000502400000000 ]  - [   0.0009084700000000, -0.0002588500000000,  0.0000764100000000 ]  - [  -0.0010070700000000,  0.0003700500000000,  0.0000031600000000 ]  - [   0.0007760500000000, -0.0002565700000000, -0.0001062100000000 ]  - [  -0.0809388800000000,  0.0483242600000000, -0.0374967600000000 ]  - [   0.0074734700000000,  0.0027638200000000,  0.0010578400000000 ]  - [  -0.0076922900000000,  0.0030927100000000,  0.0074239200000000 ]  - [   0.0021608000000000, -0.0012869000000000, -0.0016504800000000 ]  - [  -0.0009619800000000, -0.0003239900000000, -0.0000502400000000 ]  - [   0.0009084700000000,  0.0002588500000000, -0.0000764100000000 ]  - [  -0.0010070700000000, -0.0003700500000000, -0.0000031600000000 ]  - [   0.0007760500000000,  0.0002565700000000,  0.0001062100000000 ]  - [   0.0005322600000000,  0.0010260500000000,  0.0016546900000000 ]  - [  -0.0003191700000000, -0.0010311100000000, -0.0018342800000000 ]  - [  -0.0003087100000000, -0.0009529800000000,  0.0014906600000000 ]  - [   0.0008003500000000,  0.0005186100000000, -0.0011533700000000 ]  - [   0.0010128700000000,  0.0002926500000000, -0.0065102000000000 ]  - [   0.0087211300000000, -0.0056462500000000,  0.0020907900000000 ]  - [   0.0002353700000000, -0.0002216200000000, -0.0001112200000000 ]  - [   0.0018995500000000, -0.0004321700000000,  0.0004740200000000 ]- atom:   33  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0022607200000000,  0.0083136800000000,  0.0011227400000000 ]  - [  -0.0014994400000000,  0.0022926100000000, -0.0015900600000000 ]  - [  -0.0014476000000000, -0.0026317500000000, -0.0007567600000000 ]  - [   0.0018882400000000, -0.0019265100000000,  0.0011763900000000 ]  - [   0.0000081000000000,  0.0000936000000000,  0.0005615000000000 ]  - [   0.0000057100000000,  0.0000489100000000,  0.0003794000000000 ]  - [   0.0000099100000000, -0.0000839400000000,  0.0002585100000000 ]  - [   0.0000010900000000, -0.0000575100000000,  0.0001574600000000 ]  - [   0.0020471300000000,  0.0081824100000000,  0.0010058700000000 ]  - [   0.0015003000000000,  0.0022766300000000, -0.0015865300000000 ]  - [   0.0014558500000000, -0.0026307200000000, -0.0007567000000000 ]  - [  -0.0018864800000000, -0.0019162500000000,  0.0011809100000000 ]  - [  -0.0000089300000000,  0.0000947000000000,  0.0005623700000000 ]  - [  -0.0000086600000000,  0.0000489800000000,  0.0003809600000000 ]  - [  -0.0000103000000000, -0.0000827300000000,  0.0002593100000000 ]  - [  -0.0000003000000000, -0.0000562300000000,  0.0001576800000000 ]  - [   0.0004898300000000,  0.0018578900000000, -0.0023407700000000 ]  - [   0.0000545000000000,  0.0008909300000000, -0.0002099800000000 ]  - [  -0.0015280500000000, -0.0025175600000000,  0.0009354800000000 ]  - [   0.0002543100000000, -0.0008328500000000, -0.0000511300000000 ]  - [   0.0004711600000000,  0.0003254400000000,  0.0014162400000000 ]  - [  -0.0002216000000000,  0.0001999900000000,  0.0005343600000000 ]  - [   0.0000748000000000, -0.0001404000000000, -0.0003550800000000 ]  - [  -0.0000481500000000, -0.0001223100000000, -0.0000822900000000 ]  - [  -0.0004745800000000,  0.0003295400000000,  0.0014163600000000 ]  - [   0.0002218500000000,  0.0001996700000000,  0.0005328000000000 ]  - [  -0.0000770600000000, -0.0001422000000000, -0.0003517000000000 ]  - [   0.0000489500000000, -0.0001207500000000, -0.0000806300000000 ]  - [  -0.0004838600000000,  0.0018804900000000, -0.0023232200000000 ]  - [  -0.0000570800000000,  0.0008977500000000, -0.0002098400000000 ]  - [   0.0015264100000000, -0.0025204100000000,  0.0009312500000000 ]  - [  -0.0002519000000000, -0.0008338800000000, -0.0000520300000000 ]  - [  -0.0034354800000000, -0.3335715600000000,  0.1803742600000000 ]  - [   0.0002702800000000, -0.0027809100000000,  0.0028720000000000 ]  - [   0.0002660100000000,  0.0099498200000000, -0.0008779900000000 ]  - [   0.0002749400000000,  0.0023552200000000, -0.0003007600000000 ]  - [   0.0002777900000000,  0.0001090300000000, -0.0007768500000000 ]  - [   0.0002702200000000,  0.0000782300000000, -0.0007222600000000 ]  - [   0.0002715900000000,  0.0006617700000000, -0.0009781700000000 ]  - [   0.0002740400000000,  0.0004547300000000, -0.0007775600000000 ]  - [   0.0154346500000000,  0.0291474700000000, -0.0008201700000000 ]  - [  -0.0022411000000000,  0.0011204600000000,  0.0013151400000000 ]  - [  -0.0156104700000000,  0.0287697000000000, -0.0007734800000000 ]  - [   0.0017028100000000,  0.0011324800000000,  0.0013207600000000 ]  - [  -0.0002358400000000, -0.0002725300000000, -0.0007799100000000 ]  - [  -0.0002847300000000, -0.0003208500000000, -0.0008192400000000 ]  - [  -0.0003107200000000, -0.0002676000000000, -0.0007783000000000 ]  - [  -0.0002638900000000, -0.0003230300000000, -0.0008137900000000 ]  - [   0.0037141600000000, -0.0028130400000000, -0.0025053900000000 ]  - [  -0.0045183000000000, -0.0023879800000000,  0.0003277500000000 ]  - [  -0.0006978900000000,  0.0048234900000000,  0.0035150400000000 ]  - [   0.0004749000000000,  0.0020213400000000,  0.0006353400000000 ]  - [   0.0002097400000000, -0.0002545400000000, -0.0007393100000000 ]  - [   0.0006565600000000, -0.0004472800000000, -0.0009836100000000 ]  - [  -0.0000010900000000,  0.0007962000000000, -0.0005151000000000 ]  - [   0.0002319400000000,  0.0009950700000000, -0.0008065300000000 ]  - [  -0.0038223500000000,  0.0147653000000000, -0.0254851700000000 ]  - [   0.0006961900000000, -0.0001730000000000, -0.0001450900000000 ]  - [   0.0045178800000000,  0.0061927400000000,  0.0064957000000000 ]  - [  -0.0004756900000000,  0.0000364600000000,  0.0013990000000000 ]  - [  -0.0002054700000000, -0.0009079300000000, -0.0007217200000000 ]  - [   0.0000022000000000, -0.0007612300000000, -0.0003992600000000 ]  - [  -0.0006547300000000,  0.0004941400000000, -0.0013582700000000 ]  - [  -0.0002352200000000,  0.0001905900000000, -0.0008711000000000 ]  - [   0.0015032800000000,  0.0012642900000000, -0.0013832500000000 ]  - [  -0.0025291700000000,  0.0012714600000000, -0.0033864900000000 ]  - [  -0.0001383700000000, -0.0010341600000000,  0.0009479000000000 ]  - [   0.0005453900000000, -0.0010396800000000,  0.0014605100000000 ]  - [   0.0006861200000000, -0.0010490500000000,  0.0009530000000000 ]  - [  -0.0000019200000000, -0.0010492100000000,  0.0014662200000000 ]  - [  -0.0009689100000000,  0.0012867100000000, -0.0013995300000000 ]  - [   0.0030522600000000,  0.0012775600000000, -0.0033822500000000 ]  - [  -0.0013810200000000, -0.0043260700000000, -0.0030614600000000 ]  - [   0.0002955600000000, -0.0013121900000000, -0.0017400800000000 ]  - [   0.0001908600000000,  0.0036546000000000,  0.0011838600000000 ]  - [  -0.0004876500000000,  0.0011112400000000,  0.0007173600000000 ]  - [   0.0008380700000000, -0.0043165000000000, -0.0030697800000000 ]  - [  -0.0008583400000000, -0.0013202400000000, -0.0017530100000000 ]  - [  -0.0007416300000000,  0.0036584500000000,  0.0011918900000000 ]  - [  -0.0000576600000000,  0.0011170700000000,  0.0007210300000000 ]  - [  -0.0045466400000000,  0.0067537100000000,  0.0065440200000000 ]  - [   0.0004816100000000,  0.0005861700000000,  0.0014048300000000 ]  - [   0.0037454200000000,  0.0150278500000000, -0.0250420000000000 ]  - [  -0.0007092000000000,  0.0003909300000000, -0.0001373500000000 ]  - [   0.0006617700000000,  0.0010318300000000, -0.0013616400000000 ]  - [   0.0002321000000000,  0.0007293000000000, -0.0008712200000000 ]  - [   0.0002026500000000, -0.0003612500000000, -0.0007259300000000 ]  - [  -0.0000036000000000, -0.0002099400000000, -0.0003973800000000 ]  - [  -0.0038520600000000, -0.0032468500000000, -0.0026241500000000 ]  - [   0.0045438900000000, -0.0029100100000000,  0.0003061900000000 ]  - [   0.0007069300000000,  0.0042897800000000,  0.0035502000000000 ]  - [  -0.0004786500000000,  0.0014781500000000,  0.0006368700000000 ]  - [  -0.0002058600000000, -0.0007966800000000, -0.0007361400000000 ]  - [  -0.0006589500000000, -0.0010001400000000, -0.0009807200000000 ]  - [   0.0000051000000000,  0.0002480300000000, -0.0005156800000000 ]  - [  -0.0002302800000000,  0.0004552200000000, -0.0008118800000000 ]  - [   0.0128856000000000,  0.0100616000000000,  0.0095855400000000 ]  - [  -0.0031298700000000, -0.0022842600000000,  0.0035154600000000 ]  - [  -0.0037917500000000, -0.0034370900000000, -0.0048049000000000 ]  - [   0.0013590400000000,  0.0000742400000000, -0.0027626600000000 ]  - [  -0.0014226200000000,  0.0028998500000000,  0.0010535700000000 ]  - [  -0.0008537900000000,  0.0022587000000000,  0.0006817500000000 ]  - [   0.0009183200000000, -0.0033903700000000,  0.0027633200000000 ]  - [   0.0008013400000000, -0.0021152500000000,  0.0009220700000000 ]  - [   0.0525720700000000,  0.1223299500000000, -0.0661247200000000 ]  - [   0.0024087000000000,  0.0015443200000000, -0.0035311700000000 ]  - [  -0.0095948700000000, -0.0187762000000000, -0.0100761500000000 ]  - [  -0.0004045600000000, -0.0027552500000000, -0.0007567200000000 ]  - [   0.0000996600000000,  0.0002391100000000,  0.0012307800000000 ]  - [  -0.0001880300000000,  0.0004267700000000,  0.0011456100000000 ]  - [   0.0004723000000000, -0.0005302400000000,  0.0014017100000000 ]  - [  -0.0001878500000000, -0.0002607400000000,  0.0013213400000000 ]  - [  -0.0488936700000000,  0.1181256700000000, -0.0616160500000000 ]  - [  -0.0024162400000000,  0.0015319100000000, -0.0035531300000000 ]  - [   0.0096414800000000, -0.0188071900000000, -0.0101375200000000 ]  - [   0.0003953200000000, -0.0027469900000000, -0.0007500600000000 ]  - [  -0.0001069600000000,  0.0002363100000000,  0.0012254200000000 ]  - [   0.0001964700000000,  0.0004232000000000,  0.0011495600000000 ]  - [  -0.0004722100000000, -0.0005300700000000,  0.0014072700000000 ]  - [   0.0001879100000000, -0.0002568700000000,  0.0013195800000000 ]  - [   0.0014152100000000,  0.0028869000000000,  0.0010479700000000 ]  - [   0.0008508700000000,  0.0022381900000000,  0.0006775500000000 ]  - [  -0.0009129000000000, -0.0033943600000000,  0.0027753000000000 ]  - [  -0.0007956000000000, -0.0020968300000000,  0.0009171800000000 ]  - [  -0.0128347100000000,  0.0099863700000000,  0.0096007500000000 ]  - [   0.0031716000000000, -0.0023136200000000,  0.0035341800000000 ]  - [   0.0038108300000000, -0.0034393100000000, -0.0048148700000000 ]  - [  -0.0013685000000000,  0.0000811500000000, -0.0027807500000000 ]- atom:   33  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0026609000000000,  0.0002185300000000,  0.0082553800000000 ]  - [  -0.0007951400000000, -0.0015991000000000,  0.0022899200000000 ]  - [   0.0012494900000000,  0.0017834500000000,  0.0020374800000000 ]  - [  -0.0000601500000000,  0.0008324500000000,  0.0007597000000000 ]  - [  -0.0000391200000000,  0.0000100700000000, -0.0011401700000000 ]  - [   0.0000027200000000,  0.0000208300000000, -0.0009662100000000 ]  - [  -0.0000279400000000,  0.0000163900000000, -0.0008257700000000 ]  - [   0.0000104600000000, -0.0000124900000000, -0.0006899700000000 ]  - [   0.0025256000000000,  0.0001405700000000,  0.0082532000000000 ]  - [   0.0008015100000000, -0.0015899100000000,  0.0022866200000000 ]  - [  -0.0012506300000000,  0.0017825600000000,  0.0020323000000000 ]  - [   0.0000714300000000,  0.0008327200000000,  0.0007482000000000 ]  - [   0.0000374700000000,  0.0000135300000000, -0.0011393900000000 ]  - [  -0.0000058900000000,  0.0000233500000000, -0.0009674700000000 ]  - [   0.0000260000000000,  0.0000151600000000, -0.0008247400000000 ]  - [  -0.0000083600000000, -0.0000120400000000, -0.0006864300000000 ]  - [   0.0012387800000000, -0.0035199600000000, -0.0038665900000000 ]  - [  -0.0001610100000000, -0.0008376100000000,  0.0002787900000000 ]  - [   0.0016874200000000,  0.0018306200000000, -0.0002636800000000 ]  - [  -0.0002266000000000,  0.0007302100000000,  0.0001422400000000 ]  - [  -0.0003209600000000,  0.0000197500000000, -0.0019308100000000 ]  - [   0.0001219200000000,  0.0000671800000000, -0.0008361400000000 ]  - [  -0.0001624700000000,  0.0000035200000000, -0.0004098200000000 ]  - [   0.0001087400000000, -0.0000331400000000, -0.0002709000000000 ]  - [   0.0003210600000000,  0.0000157100000000, -0.0019220800000000 ]  - [  -0.0001230000000000,  0.0000659500000000, -0.0008360700000000 ]  - [   0.0001617200000000,  0.0000035100000000, -0.0004107900000000 ]  - [  -0.0001097100000000, -0.0000314400000000, -0.0002734100000000 ]  - [  -0.0012528900000000, -0.0035573300000000, -0.0038941900000000 ]  - [   0.0001602100000000, -0.0008386100000000,  0.0002782400000000 ]  - [  -0.0016838300000000,  0.0018325500000000, -0.0002584800000000 ]  - [   0.0002269800000000,  0.0007323700000000,  0.0001416100000000 ]  - [  -0.0020869400000000,  0.1803443500000000, -0.2414174000000000 ]  - [   0.0002743600000000,  0.0028739700000000, -0.0051784800000000 ]  - [   0.0002831200000000, -0.0008810000000000, -0.0036195400000000 ]  - [   0.0002730200000000, -0.0003017800000000, -0.0019039100000000 ]  - [   0.0002714500000000, -0.0007756400000000,  0.0022741600000000 ]  - [   0.0002741800000000, -0.0007207000000000,  0.0021540400000000 ]  - [   0.0002753400000000, -0.0009801700000000,  0.0022078700000000 ]  - [   0.0002742900000000, -0.0007767100000000,  0.0019511500000000 ]  - [  -0.0003818300000000,  0.0007470200000000, -0.0080901800000000 ]  - [   0.0001345900000000, -0.0013155300000000, -0.0040954200000000 ]  - [  -0.0002213400000000,  0.0008500400000000, -0.0081362700000000 ]  - [  -0.0006724500000000, -0.0013187500000000, -0.0041018000000000 ]  - [  -0.0003255600000000,  0.0007793900000000,  0.0021088500000000 ]  - [  -0.0002851700000000,  0.0008158100000000,  0.0021021000000000 ]  - [  -0.0002236200000000,  0.0007774900000000,  0.0021101100000000 ]  - [  -0.0002623100000000,  0.0008180100000000,  0.0020994600000000 ]  - [  -0.0250981400000000, -0.0111843800000000,  0.0163564700000000 ]  - [   0.0065094000000000,  0.0009138300000000, -0.0012003400000000 ]  - [  -0.0001448600000000, -0.0006345800000000, -0.0020465600000000 ]  - [   0.0014021200000000, -0.0004307400000000, -0.0018795400000000 ]  - [  -0.0007232900000000,  0.0007818400000000,  0.0021885800000000 ]  - [  -0.0013633100000000,  0.0009015900000000,  0.0024960200000000 ]  - [  -0.0003983800000000, -0.0003020100000000,  0.0018223100000000 ]  - [  -0.0008723800000000, -0.0001500900000000,  0.0019606500000000 ]  - [   0.0025274100000000, -0.0196103300000000,  0.0163146200000000 ]  - [  -0.0035168600000000, -0.0023883200000000, -0.0020547900000000 ]  - [  -0.0003094100000000,  0.0041960400000000, -0.0011893200000000 ]  - [  -0.0006372300000000, -0.0001799800000000, -0.0018795200000000 ]  - [   0.0007386500000000,  0.0003393000000000,  0.0021886900000000 ]  - [   0.0005159400000000,  0.0003476400000000,  0.0018220300000000 ]  - [   0.0009827400000000, -0.0008422400000000,  0.0024956500000000 ]  - [   0.0008106400000000, -0.0007696800000000,  0.0019609400000000 ]  - [  -0.0014511900000000, -0.0033794500000000,  0.0033556200000000 ]  - [   0.0026153900000000, -0.0013870400000000,  0.0033585100000000 ]  - [  -0.0001090600000000,  0.0014570000000000,  0.0002892100000000 ]  - [   0.0010115100000000,  0.0009457700000000,  0.0002913400000000 ]  - [   0.0006516700000000,  0.0014694300000000,  0.0002815900000000 ]  - [  -0.0004659100000000,  0.0009544500000000,  0.0002816300000000 ]  - [   0.0020002900000000, -0.0033856800000000,  0.0033605200000000 ]  - [  -0.0020768500000000, -0.0013906300000000,  0.0033595300000000 ]  - [   0.0017250100000000,  0.0030613500000000,  0.0047314500000000 ]  - [  -0.0021355200000000,  0.0017396900000000,  0.0037204100000000 ]  - [   0.0001635500000000, -0.0011803000000000,  0.0012417500000000 ]  - [  -0.0005254100000000, -0.0007179000000000, -0.0000816100000000 ]  - [  -0.0022850700000000,  0.0030687400000000,  0.0047542800000000 ]  - [   0.0015936600000000,  0.0017501400000000,  0.0037368500000000 ]  - [  -0.0007072100000000, -0.0011957600000000,  0.0012366600000000 ]  - [  -0.0000213300000000, -0.0007233500000000, -0.0000878100000000 ]  - [   0.0003248500000000,  0.0047480000000000, -0.0012185300000000 ]  - [   0.0006340600000000,  0.0003714400000000, -0.0018837100000000 ]  - [  -0.0026029700000000, -0.0194015200000000,  0.0165454300000000 ]  - [   0.0035476800000000, -0.0018597800000000, -0.0020631300000000 ]  - [  -0.0009850600000000, -0.0002971200000000,  0.0024940800000000 ]  - [  -0.0008086500000000, -0.0002212600000000,  0.0019623700000000 ]  - [  -0.0007368800000000,  0.0008815700000000,  0.0021901600000000 ]  - [  -0.0005158300000000,  0.0008911900000000,  0.0018233800000000 ]  - [   0.0254276800000000, -0.0118249200000000,  0.0165040700000000 ]  - [  -0.0065303300000000,  0.0003709400000000, -0.0012097100000000 ]  - [   0.0001367600000000, -0.0011837700000000, -0.0020695600000000 ]  - [  -0.0013996100000000, -0.0009807700000000, -0.0018836600000000 ]  - [   0.0007237600000000,  0.0002278900000000,  0.0021886200000000 ]  - [   0.0013604100000000,  0.0003503200000000,  0.0024931200000000 ]  - [   0.0003992200000000, -0.0008432600000000,  0.0018236600000000 ]  - [   0.0008715400000000, -0.0006934200000000,  0.0019645700000000 ]  - [  -0.0117922100000000, -0.0053135600000000, -0.0090022100000000 ]  - [   0.0065649500000000,  0.0054599200000000, -0.0060394600000000 ]  - [  -0.0021238100000000,  0.0000869300000000,  0.0008849800000000 ]  - [   0.0004568800000000, -0.0004187800000000,  0.0019070700000000 ]  - [   0.0018591800000000, -0.0032032400000000, -0.0039215300000000 ]  - [   0.0008781900000000, -0.0025729900000000, -0.0032980600000000 ]  - [  -0.0001732500000000,  0.0021734700000000, -0.0039561700000000 ]  - [  -0.0013470000000000,  0.0022385400000000, -0.0024663300000000 ]  - [  -0.0352225900000000, -0.0602445800000000,  0.0913446000000000 ]  - [  -0.0018549500000000, -0.0005494600000000,  0.0083524400000000 ]  - [   0.0028261900000000,  0.0012337200000000,  0.0059210000000000 ]  - [  -0.0000067500000000,  0.0015340200000000,  0.0036414900000000 ]  - [  -0.0001092100000000, -0.0001221000000000, -0.0035420200000000 ]  - [   0.0002440000000000, -0.0003006600000000, -0.0033539100000000 ]  - [  -0.0004232000000000,  0.0003539600000000, -0.0034181700000000 ]  - [   0.0001407000000000,  0.0001036500000000, -0.0030966600000000 ]  - [   0.0374671000000000, -0.0637154900000000,  0.0928899600000000 ]  - [   0.0018368700000000, -0.0005489500000000,  0.0083683300000000 ]  - [  -0.0028599400000000,  0.0012767300000000,  0.0059747300000000 ]  - [   0.0000095000000000,  0.0015324700000000,  0.0036444700000000 ]  - [   0.0001081200000000, -0.0001203400000000, -0.0035404300000000 ]  - [  -0.0002430000000000, -0.0002990600000000, -0.0033528300000000 ]  - [   0.0004246400000000,  0.0003523900000000, -0.0034188700000000 ]  - [  -0.0001427800000000,  0.0001025700000000, -0.0030979100000000 ]  - [  -0.0018448000000000, -0.0031796600000000, -0.0039153100000000 ]  - [  -0.0008741000000000, -0.0025620000000000, -0.0032968300000000 ]  - [   0.0001724500000000,  0.0021607900000000, -0.0039567800000000 ]  - [   0.0013427600000000,  0.0022311900000000, -0.0024684800000000 ]  - [   0.0118276200000000, -0.0053205300000000, -0.0089837700000000 ]  - [  -0.0065182100000000,  0.0054592600000000, -0.0060400900000000 ]  - [   0.0021013500000000,  0.0000970600000000,  0.0009052500000000 ]  - [  -0.0004419500000000, -0.0004302900000000,  0.0019292100000000 ]- atom:   97  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0054176800000000, -0.0016240800000000, -0.0000034700000000 ]  - [   0.0024017900000000, -0.0008302300000000,  0.0000019700000000 ]  - [  -0.0015644200000000,  0.0003680100000000,  0.0000027200000000 ]  - [   0.0011886700000000,  0.0000749100000000,  0.0000027200000000 ]  - [  -0.0019433100000000,  0.0025749400000000,  0.0000114400000000 ]  - [   0.0004753800000000,  0.0004784400000000, -0.0000037900000000 ]  - [  -0.0010481000000000, -0.0010441200000000, -0.0000033900000000 ]  - [   0.0003539300000000, -0.0004262600000000, -0.0000031700000000 ]  - [  -0.0088475300000000,  0.0023221900000000,  0.0005880500000000 ]  - [   0.0026074000000000, -0.0001194900000000,  0.0006253700000000 ]  - [  -0.0088548000000000,  0.0022996800000000, -0.0006114700000000 ]  - [   0.0025965400000000, -0.0001115300000000, -0.0006161000000000 ]  - [  -0.0003329500000000, -0.0000285900000000, -0.0003929600000000 ]  - [   0.0002209200000000,  0.0000007900000000, -0.0001933800000000 ]  - [  -0.0003370700000000, -0.0000248800000000,  0.0003928800000000 ]  - [   0.0002214400000000, -0.0000007700000000,  0.0001896300000000 ]  - [   0.0046549300000000, -0.0057778900000000,  0.0000091100000000 ]  - [   0.0049212500000000,  0.0076890900000000,  0.0032372100000000 ]  - [   0.0049429700000000,  0.0077351300000000, -0.0032328100000000 ]  - [   0.0046386800000000, -0.0057219300000000, -0.0000012400000000 ]  - [   0.0000259500000000,  0.0000016000000000, -0.0000002300000000 ]  - [   0.0000361100000000,  0.0000048000000000, -0.0002610500000000 ]  - [   0.0000385900000000,  0.0000035300000000,  0.0002588000000000 ]  - [   0.0000260500000000,  0.0000004100000000,  0.0000036600000000 ]  - [   0.0085400100000000,  0.0013005400000000, -0.0097265300000000 ]  - [   0.0084794000000000,  0.0012892000000000,  0.0096086500000000 ]  - [   0.0000774300000000, -0.0009592400000000,  0.0002762000000000 ]  - [   0.0000823800000000, -0.0009598600000000, -0.0002792000000000 ]  - [   0.0001196800000000, -0.0000665900000000,  0.0010365300000000 ]  - [   0.0001172400000000, -0.0000696300000000, -0.0010381800000000 ]  - [   0.0000862400000000,  0.0000718800000000,  0.0004990900000000 ]  - [   0.0000872500000000,  0.0000742600000000, -0.0004999600000000 ]  - [  -0.0007401200000000,  0.0128738200000000, -0.0118314500000000 ]  - [  -0.0085335200000000, -0.0031522100000000,  0.0065843900000000 ]  - [   0.0000294700000000, -0.0037894400000000, -0.0021129500000000 ]  - [  -0.0016369600000000,  0.0013632000000000,  0.0004480800000000 ]  - [  -0.0002468600000000, -0.0014186200000000,  0.0018490900000000 ]  - [   0.0005833900000000, -0.0008519700000000,  0.0008793700000000 ]  - [   0.0005810400000000,  0.0009141000000000, -0.0001676700000000 ]  - [  -0.0005348700000000,  0.0007944000000000, -0.0013452500000000 ]  - [  -0.0089551900000000, -0.0031539800000000, -0.0065001500000000 ]  - [  -0.0012613600000000,  0.0128509000000000,  0.0117877200000000 ]  - [  -0.0021720200000000,  0.0013619900000000, -0.0004506700000000 ]  - [  -0.0005130800000000, -0.0038092900000000,  0.0021124500000000 ]  - [   0.0000460300000000, -0.0008520600000000, -0.0008719400000000 ]  - [  -0.0008094200000000, -0.0014223300000000, -0.0018565900000000 ]  - [  -0.0010713300000000,  0.0008021800000000,  0.0013443100000000 ]  - [   0.0000371800000000,  0.0009170100000000,  0.0001802300000000 ]  - [  -0.0187900300000000,  0.0033555000000000,  0.0012368600000000 ]  - [   0.1179945100000000,  0.0477642700000000, -0.0598126500000000 ]  - [  -0.0027466100000000, -0.0010227700000000,  0.0015280500000000 ]  - [   0.0015341300000000,  0.0030438800000000, -0.0005505200000000 ]  - [  -0.0005260200000000, -0.0001022600000000,  0.0003557400000000 ]  - [   0.0002364800000000, -0.0000413300000000, -0.0001196100000000 ]  - [  -0.0002580100000000,  0.0005309100000000,  0.0001049000000000 ]  - [   0.0004238200000000,  0.0005320600000000, -0.0002980500000000 ]  - [   0.1224573900000000,  0.0506527900000000,  0.0641795600000000 ]  - [  -0.0187895500000000,  0.0028116500000000, -0.0012743900000000 ]  - [   0.0015403200000000,  0.0024938300000000,  0.0005478800000000 ]  - [  -0.0027528700000000, -0.0015659400000000, -0.0015385700000000 ]  - [   0.0002374200000000, -0.0005943300000000,  0.0001224100000000 ]  - [  -0.0005310500000000, -0.0006520300000000, -0.0003504900000000 ]  - [   0.0004252100000000, -0.0000164400000000,  0.0003007700000000 ]  - [  -0.0002608600000000, -0.0000155200000000, -0.0000990700000000 ]  - [  -0.0072345500000000, -0.0024258600000000,  0.0018553700000000 ]  - [   0.0809800800000000, -0.0498037500000000,  0.0356047300000000 ]  - [  -0.0018849700000000,  0.0004110700000000,  0.0000089900000000 ]  - [   0.0079659900000000,  0.0096171300000000, -0.0028426300000000 ]  - [  -0.0006369200000000,  0.0001916300000000, -0.0002412700000000 ]  - [   0.0012400100000000, -0.0001034800000000,  0.0001099000000000 ]  - [  -0.0005077200000000,  0.0001849600000000, -0.0001444300000000 ]  - [   0.0012821100000000, -0.0004771200000000,  0.0004210400000000 ]  - [   0.0809211200000000, -0.0516252900000000, -0.0370714600000000 ]  - [  -0.0077521700000000, -0.0023992300000000, -0.0018378900000000 ]  - [   0.0074504000000000,  0.0096148200000000,  0.0028504800000000 ]  - [  -0.0024388100000000,  0.0003981800000000, -0.0000108100000000 ]  - [   0.0006877800000000, -0.0001035500000000, -0.0001069500000000 ]  - [  -0.0011950200000000,  0.0001937500000000,  0.0002450200000000 ]  - [   0.0007393200000000, -0.0004688200000000, -0.0004270900000000 ]  - [  -0.0010464100000000,  0.0001902600000000,  0.0001396900000000 ]  - [   0.0028896900000000, -0.0007521500000000, -0.0031907000000000 ]  - [  -0.0033863800000000,  0.0012378200000000,  0.0021651200000000 ]  - [   0.0022493800000000,  0.0012986700000000, -0.0025678500000000 ]  - [  -0.0021076100000000, -0.0002593700000000,  0.0022375500000000 ]  - [   0.0100298700000000, -0.0000448600000000, -0.0052997800000000 ]  - [  -0.0034434200000000,  0.0004898300000000,  0.0001033900000000 ]  - [  -0.0022951600000000,  0.0058943700000000,  0.0054159500000000 ]  - [   0.0000795400000000,  0.0007036200000000, -0.0004163700000000 ]  - [  -0.0033983700000000,  0.0006760900000000, -0.0021689400000000 ]  - [   0.0029012000000000, -0.0013015700000000,  0.0031943300000000 ]  - [  -0.0021070800000000, -0.0007838200000000, -0.0022334900000000 ]  - [   0.0022464000000000,  0.0007634200000000,  0.0025659800000000 ]  - [  -0.0034288700000000, -0.0000327500000000, -0.0000801800000000 ]  - [   0.0100139600000000, -0.0005705800000000,  0.0053360200000000 ]  - [   0.0000868800000000,  0.0001496800000000,  0.0004279900000000 ]  - [  -0.0023150600000000,  0.0054261400000000, -0.0055001100000000 ]  - [  -0.4712082500000000, -0.0000412300000000, -0.0031938000000000 ]  - [   0.0215672300000000,  0.0074799500000000,  0.0000014900000000 ]  - [   0.0006285500000000, -0.0074822100000000,  0.0000081500000000 ]  - [   0.0043408700000000,  0.0000027100000000,  0.0000068700000000 ]  - [  -0.0006978900000000, -0.0000014100000000, -0.0000021300000000 ]  - [   0.0007130400000000,  0.0000189400000000, -0.0000057500000000 ]  - [  -0.0009428300000000, -0.0000171100000000,  0.0000018000000000 ]  - [   0.0006112000000000, -0.0000004300000000,  0.0000015800000000 ]  - [   0.0501664600000000, -0.0161812700000000,  0.0364027600000000 ]  - [   0.0500069300000000, -0.0163932800000000, -0.0359996900000000 ]  - [   0.0012030200000000,  0.0018652800000000, -0.0029468400000000 ]  - [   0.0012171500000000,  0.0018715100000000,  0.0029510500000000 ]  - [   0.0009831300000000,  0.0018407100000000, -0.0005794500000000 ]  - [   0.0009959700000000,  0.0018497800000000,  0.0005719600000000 ]  - [  -0.0004485400000000, -0.0012662900000000, -0.0006594000000000 ]  - [  -0.0004503900000000, -0.0012729300000000,  0.0006542200000000 ]  - [   0.0037294300000000, -0.0045209100000000,  0.0054591300000000 ]  - [   0.0001257700000000,  0.0045360300000000, -0.0079184700000000 ]  - [   0.0001382800000000,  0.0044887700000000,  0.0078849800000000 ]  - [   0.0037118000000000, -0.0045043200000000, -0.0054365600000000 ]  - [   0.0036901600000000,  0.0008781900000000, -0.0044491800000000 ]  - [   0.0001303400000000, -0.0008976700000000, -0.0004357800000000 ]  - [   0.0001395200000000, -0.0008860200000000,  0.0004249100000000 ]  - [   0.0037463900000000,  0.0009058600000000,  0.0044477900000000 ]  - [  -0.0195746100000000, -0.0162622300000000, -0.0110635300000000 ]  - [   0.0037522500000000,  0.0018484600000000,  0.0031176000000000 ]  - [  -0.0197383600000000, -0.0163117200000000,  0.0110992200000000 ]  - [   0.0037555300000000,  0.0018874500000000, -0.0031430300000000 ]  - [  -0.0044568400000000,  0.0018502300000000, -0.0003003500000000 ]  - [   0.0032192000000000, -0.0012639500000000, -0.0003400500000000 ]  - [  -0.0044487300000000,  0.0018385300000000,  0.0003043600000000 ]  - [   0.0032179800000000, -0.0012749300000000,  0.0003356500000000 ]- atom:   97  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000,  0.0066501900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0009714800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002270000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001498800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0066037300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0002264800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0009725000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001496800000000 ]  - [   0.0027790600000000, -0.0102600400000000,  0.0013401600000000 ]  - [  -0.0004499600000000, -0.0015609100000000, -0.0004794100000000 ]  - [  -0.0027790600000000,  0.0102600400000000,  0.0013401600000000 ]  - [   0.0004499600000000,  0.0015609100000000, -0.0004794100000000 ]  - [  -0.0000146600000000,  0.0001379600000000,  0.0018062200000000 ]  - [   0.0000087800000000,  0.0001262100000000,  0.0010175000000000 ]  - [   0.0000146600000000, -0.0001379600000000,  0.0018062200000000 ]  - [  -0.0000087800000000, -0.0001262100000000,  0.0010175000000000 ]  - [  -0.0043469500000000,  0.0002850900000000, -0.0056103400000000 ]  - [  -0.0002845600000000, -0.0043489100000000, -0.0056086600000000 ]  - [   0.0002845600000000,  0.0043489100000000, -0.0056086600000000 ]  - [   0.0043469500000000, -0.0002850900000000, -0.0056103400000000 ]  - [  -0.0000017500000000,  0.0000193200000000,  0.0014240500000000 ]  - [  -0.0000211300000000, -0.0000025200000000,  0.0014228800000000 ]  - [   0.0000211300000000,  0.0000025200000000,  0.0014228800000000 ]  - [   0.0000017500000000, -0.0000193200000000,  0.0014240500000000 ]  - [  -0.0101995600000000, -0.0027808100000000,  0.0013508800000000 ]  - [   0.0101995600000000,  0.0027808100000000,  0.0013508800000000 ]  - [  -0.0015606000000000,  0.0004546700000000, -0.0004769600000000 ]  - [   0.0015606000000000, -0.0004546700000000, -0.0004769600000000 ]  - [   0.0001406200000000,  0.0000176800000000,  0.0018069900000000 ]  - [  -0.0001406200000000, -0.0000176800000000,  0.0018069900000000 ]  - [   0.0001266700000000, -0.0000095800000000,  0.0010159700000000 ]  - [  -0.0001266700000000,  0.0000095800000000,  0.0010159700000000 ]  - [  -0.0062724100000000,  0.0095989200000000, -0.0089985000000000 ]  - [   0.0023417700000000,  0.0035234100000000, -0.0059857100000000 ]  - [   0.0001559900000000, -0.0048062400000000,  0.0009009400000000 ]  - [   0.0007480400000000, -0.0027779100000000,  0.0019216900000000 ]  - [   0.0019322100000000,  0.0010575600000000, -0.0039184500000000 ]  - [  -0.0015631500000000,  0.0006804500000000, -0.0032951000000000 ]  - [   0.0017645800000000,  0.0027599600000000, -0.0039515900000000 ]  - [  -0.0008833200000000,  0.0009180700000000, -0.0024721300000000 ]  - [  -0.0023417700000000, -0.0035234100000000, -0.0059857100000000 ]  - [   0.0062724100000000, -0.0095989200000000, -0.0089985000000000 ]  - [  -0.0007480400000000,  0.0027779100000000,  0.0019216900000000 ]  - [  -0.0001559900000000,  0.0048062400000000,  0.0009009400000000 ]  - [   0.0015631500000000, -0.0006804500000000, -0.0032951000000000 ]  - [  -0.0019322100000000, -0.0010575600000000, -0.0039184500000000 ]  - [   0.0008833200000000, -0.0009180700000000, -0.0024721300000000 ]  - [  -0.0017645800000000, -0.0027599600000000, -0.0039515900000000 ]  - [  -0.0101015300000000,  0.0076945200000000,  0.0059452200000000 ]  - [  -0.0654271400000000, -0.0389716700000000,  0.0929733700000000 ]  - [  -0.0007503600000000, -0.0013731600000000,  0.0036453400000000 ]  - [  -0.0035401400000000,  0.0013316300000000,  0.0083637000000000 ]  - [   0.0014046500000000,  0.0002739300000000, -0.0034172300000000 ]  - [   0.0012288800000000,  0.0002227900000000, -0.0035414000000000 ]  - [   0.0013211100000000,  0.0003815600000000, -0.0030978400000000 ]  - [   0.0011468900000000,  0.0002044400000000, -0.0033543200000000 ]  - [   0.0654271400000000,  0.0389716700000000,  0.0929733700000000 ]  - [   0.0101015300000000, -0.0076945200000000,  0.0059452200000000 ]  - [   0.0035401400000000, -0.0013316300000000,  0.0083637000000000 ]  - [   0.0007503600000000,  0.0013731600000000,  0.0036453400000000 ]  - [  -0.0012288800000000, -0.0002227900000000, -0.0035414000000000 ]  - [  -0.0014046500000000, -0.0002739300000000, -0.0034172300000000 ]  - [  -0.0011468900000000, -0.0002044400000000, -0.0033543200000000 ]  - [  -0.0013211100000000, -0.0003815600000000, -0.0030978400000000 ]  - [  -0.0007845600000000, -0.0035400000000000,  0.0083569300000000 ]  - [   0.0374191500000000, -0.0622887000000000,  0.0912600400000000 ]  - [   0.0019294400000000, -0.0007515600000000,  0.0036416200000000 ]  - [  -0.0071731700000000, -0.0101070900000000,  0.0059505100000000 ]  - [   0.0003492900000000,  0.0011456500000000, -0.0033519100000000 ]  - [   0.0003282000000000,  0.0012284800000000, -0.0035419700000000 ]  - [   0.0001688700000000,  0.0013216500000000, -0.0030975200000000 ]  - [   0.0002774100000000,  0.0014044400000000, -0.0034196600000000 ]  - [  -0.0374191500000000,  0.0622887000000000,  0.0912600400000000 ]  - [   0.0007845600000000,  0.0035400000000000,  0.0083569300000000 ]  - [   0.0071731700000000,  0.0101070900000000,  0.0059505100000000 ]  - [  -0.0019294400000000,  0.0007515600000000,  0.0036416200000000 ]  - [  -0.0003282000000000, -0.0012284800000000, -0.0035419700000000 ]  - [  -0.0003492900000000, -0.0011456500000000, -0.0033519100000000 ]  - [  -0.0002774100000000, -0.0014044400000000, -0.0034196600000000 ]  - [  -0.0001688700000000, -0.0013216500000000, -0.0030975200000000 ]  - [   0.0010443400000000, -0.0013857100000000, -0.0039173000000000 ]  - [   0.0027749400000000, -0.0012177300000000, -0.0039620500000000 ]  - [   0.0006794700000000,  0.0021170200000000, -0.0032984700000000 ]  - [   0.0009160500000000,  0.0014260100000000, -0.0024637500000000 ]  - [   0.0095825200000000,  0.0067773600000000, -0.0089880200000000 ]  - [  -0.0048122900000000,  0.0003894000000000,  0.0008902500000000 ]  - [   0.0035262700000000, -0.0018241900000000, -0.0060967600000000 ]  - [  -0.0027645300000000, -0.0001898300000000,  0.0019162000000000 ]  - [  -0.0027749400000000,  0.0012177300000000, -0.0039620500000000 ]  - [  -0.0010443400000000,  0.0013857100000000, -0.0039173000000000 ]  - [  -0.0009160500000000, -0.0014260100000000, -0.0024637500000000 ]  - [  -0.0006794700000000, -0.0021170200000000, -0.0032984700000000 ]  - [   0.0048122900000000, -0.0003894000000000,  0.0008902500000000 ]  - [  -0.0095825200000000, -0.0067773600000000, -0.0089880200000000 ]  - [   0.0027645300000000,  0.0001898300000000,  0.0019162000000000 ]  - [  -0.0035262700000000,  0.0018241900000000, -0.0060967600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.4491260400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0136979700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0137030300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0063452500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0057393600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0053092100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0053123900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0047076000000000 ]  - [   0.0363556800000000, -0.0110172400000000,  0.0285733400000000 ]  - [  -0.0363556800000000,  0.0110172400000000,  0.0285733400000000 ]  - [  -0.0029507100000000,  0.0031222600000000, -0.0076794600000000 ]  - [   0.0029507100000000, -0.0031222600000000, -0.0076794600000000 ]  - [  -0.0005785600000000, -0.0003030800000000,  0.0057773200000000 ]  - [   0.0005785600000000,  0.0003030800000000,  0.0057773200000000 ]  - [  -0.0006538900000000, -0.0003339400000000,  0.0047968600000000 ]  - [   0.0006538900000000,  0.0003339400000000,  0.0047968600000000 ]  - [   0.0044627300000000, -0.0079292200000000,  0.0049678000000000 ]  - [   0.0004152400000000, -0.0054352300000000,  0.0049384400000000 ]  - [  -0.0004152400000000,  0.0054352300000000,  0.0049384400000000 ]  - [  -0.0044627300000000,  0.0079292200000000,  0.0049678000000000 ]  - [  -0.0054611200000000, -0.0004457600000000,  0.0049630700000000 ]  - [   0.0078743400000000,  0.0044343400000000,  0.0049321900000000 ]  - [  -0.0078743400000000, -0.0044343400000000,  0.0049321900000000 ]  - [   0.0054611200000000,  0.0004457600000000,  0.0049630700000000 ]  - [   0.0111408400000000,  0.0360418900000000,  0.0285988000000000 ]  - [  -0.0031322100000000, -0.0029496100000000, -0.0076662300000000 ]  - [  -0.0111408400000000, -0.0360418900000000,  0.0285988000000000 ]  - [   0.0031322100000000,  0.0029496100000000, -0.0076662300000000 ]  - [   0.0003022100000000, -0.0005781300000000,  0.0057802400000000 ]  - [   0.0003432900000000, -0.0006581900000000,  0.0047920700000000 ]  - [  -0.0003022100000000,  0.0005781300000000,  0.0057802400000000 ]  - [  -0.0003432900000000,  0.0006581900000000,  0.0047920700000000 ]