# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/5e1b3cf3-78a8-4599-aae8-07a8214bb4ff/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 K2ZnO2 / Ibam (72) / materials id 8187](https://mdr.nims.go.jp/datasets/4bfa9d83-15fd-4ede-b96c-3f77a2b538d4)

## 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: "Ibam"  number: 72  Hall_symbol: "-I 2 2c"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,   1,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [    -2.999567345000000,     5.247380355000000,     2.701471570000000 ] # a  - [     2.999567345000000,    -5.247380355000000,     2.701471570000000 ] # b  - [     2.999567345000000,     5.247380355000000,    -2.701471570000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.404659460000000,  0.315198290000000,  0.719857750000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.595340540000000,  0.684801710000000,  0.280142250000000 ]    mass: 15.999400  - symbol: O  # 3    coordinates: [  0.095340540000000,  0.815198290000000,  0.910538830000000 ]    mass: 15.999400  - symbol: O  # 4    coordinates: [  0.904659460000000,  0.184801710000000,  0.089461170000000 ]    mass: 15.999400  - symbol: K  # 5    coordinates: [  0.347818910000000,  0.861504810000000,  0.209323720000000 ]    mass: 39.098300  - symbol: K  # 6    coordinates: [  0.652181090000000,  0.138495190000000,  0.790676280000000 ]    mass: 39.098300  - symbol: K  # 7    coordinates: [  0.847818910000000,  0.638495190000000,  0.486314100000000 ]    mass: 39.098300  - symbol: K  # 8    coordinates: [  0.152181090000000,  0.361504810000000,  0.513685900000000 ]    mass: 39.098300  - symbol: Zn # 9    coordinates: [  0.750000000000000,  0.750000000000000,  0.000000000000000 ]    mass: 65.380000  - symbol: Zn # 10    coordinates: [  0.250000000000000,  0.250000000000000,  0.000000000000000 ]    mass: 65.380000  reciprocal_lattice: # without 2pi  - [     0.000000000000000,     0.095285640867175,     0.185084309438059 ] # a*  - [     0.166690706522544,     0.000000000000000,     0.185084309438059 ] # b*  - [     0.166690706522544,     0.095285640867175,     0.000000000000000 ] # c*unit_cell:  lattice:  - [     5.999134690000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    10.494760710000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     5.402943140000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.315198290000000,  0.404659460000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.184801710000000,  0.095340540000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.815198290000000,  0.095340540000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.684801710000000,  0.404659460000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.815198290000000,  0.904659460000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 6    coordinates: [  0.684801710000000,  0.595340540000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 7    coordinates: [  0.315198290000000,  0.595340540000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 8    coordinates: [  0.184801710000000,  0.904659460000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 4  - symbol: K  # 9    coordinates: [  0.861504810000000,  0.347818910000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 9  - symbol: K  # 10    coordinates: [  0.638495190000000,  0.152181090000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 10  - symbol: K  # 11    coordinates: [  0.138495190000000,  0.347818910000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 11  - symbol: K  # 12    coordinates: [  0.361504810000000,  0.152181090000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 12  - symbol: K  # 13    coordinates: [  0.361504810000000,  0.847818910000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 9  - symbol: K  # 14    coordinates: [  0.138495190000000,  0.652181090000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 10  - symbol: K  # 15    coordinates: [  0.638495190000000,  0.847818910000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 11  - symbol: K  # 16    coordinates: [  0.861504810000000,  0.652181090000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 12  - symbol: Zn # 17    coordinates: [  0.000000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 65.380000    reduced_to: 17  - symbol: Zn # 18    coordinates: [  0.000000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 65.380000    reduced_to: 18  - symbol: Zn # 19    coordinates: [  0.500000000000000,  0.500000000000000,  0.250000000000000 ]    mass: 65.380000    reduced_to: 17  - symbol: Zn # 20    coordinates: [  0.500000000000000,  0.500000000000000,  0.750000000000000 ]    mass: 65.380000    reduced_to: 18supercell:  lattice:  - [    11.998269380000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    10.494760710000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.805886279999999 ] # c  points:  - symbol: O  # 1    coordinates: [  0.157599145000000,  0.404659460000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.657599145000000,  0.404659460000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 3    coordinates: [  0.157599145000000,  0.404659460000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 4    coordinates: [  0.657599145000000,  0.404659460000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 5    coordinates: [  0.092400855000000,  0.095340540000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.592400855000000,  0.095340540000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 7    coordinates: [  0.092400855000000,  0.095340540000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 8    coordinates: [  0.592400855000000,  0.095340540000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 9    coordinates: [  0.407599145000000,  0.095340540000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.907599145000000,  0.095340540000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 11    coordinates: [  0.407599145000000,  0.095340540000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 12    coordinates: [  0.907599145000000,  0.095340540000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 13    coordinates: [  0.342400855000000,  0.404659460000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.842400855000000,  0.404659460000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 15    coordinates: [  0.342400855000000,  0.404659460000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 16    coordinates: [  0.842400855000000,  0.404659460000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 17    coordinates: [  0.407599145000000,  0.904659460000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 18    coordinates: [  0.907599145000000,  0.904659460000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 19    coordinates: [  0.407599145000000,  0.904659460000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 20    coordinates: [  0.907599145000000,  0.904659460000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 21    coordinates: [  0.342400855000000,  0.595340540000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 22    coordinates: [  0.842400855000000,  0.595340540000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 23    coordinates: [  0.342400855000000,  0.595340540000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 24    coordinates: [  0.842400855000000,  0.595340540000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 25    coordinates: [  0.157599145000000,  0.595340540000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 26    coordinates: [  0.657599145000000,  0.595340540000000,  0.250000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 27    coordinates: [  0.157599145000000,  0.595340540000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 28    coordinates: [  0.657599145000000,  0.595340540000000,  0.750000000000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 29    coordinates: [  0.092400855000000,  0.904659460000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 30    coordinates: [  0.592400855000000,  0.904659460000000,  0.000000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 31    coordinates: [  0.092400855000000,  0.904659460000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 32    coordinates: [  0.592400855000000,  0.904659460000000,  0.500000000000000 ]    mass: 15.999400    reduced_to: 13  - symbol: K  # 33    coordinates: [  0.430752405000000,  0.347818910000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 33  - symbol: K  # 34    coordinates: [  0.930752405000000,  0.347818910000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 33  - symbol: K  # 35    coordinates: [  0.430752405000000,  0.347818910000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 33  - symbol: K  # 36    coordinates: [  0.930752405000000,  0.347818910000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 33  - symbol: K  # 37    coordinates: [  0.319247595000000,  0.152181090000000,  0.250000000000000 ]    mass: 39.098300    reduced_to: 37  - symbol: K  # 38    coordinates: [  0.819247595000000,  0.152181090000000,  0.250000000000000 ]    mass: 39.098300    reduced_to: 37  - symbol: K  # 39    coordinates: [  0.319247595000000,  0.152181090000000,  0.750000000000000 ]    mass: 39.098300    reduced_to: 37  - symbol: K  # 40    coordinates: [  0.819247595000000,  0.152181090000000,  0.750000000000000 ]    mass: 39.098300    reduced_to: 37  - symbol: K  # 41    coordinates: [  0.069247595000000,  0.347818910000000,  0.250000000000000 ]    mass: 39.098300    reduced_to: 41  - symbol: K  # 42    coordinates: [  0.569247595000000,  0.347818910000000,  0.250000000000000 ]    mass: 39.098300    reduced_to: 41  - symbol: K  # 43    coordinates: [  0.069247595000000,  0.347818910000000,  0.750000000000000 ]    mass: 39.098300    reduced_to: 41  - symbol: K  # 44    coordinates: [  0.569247595000000,  0.347818910000000,  0.750000000000000 ]    mass: 39.098300    reduced_to: 41  - symbol: K  # 45    coordinates: [  0.180752405000000,  0.152181090000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 45  - symbol: K  # 46    coordinates: [  0.680752405000000,  0.152181090000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 45  - symbol: K  # 47    coordinates: [  0.180752405000000,  0.152181090000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 45  - symbol: K  # 48    coordinates: [  0.680752405000000,  0.152181090000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 45  - symbol: K  # 49    coordinates: [  0.180752405000000,  0.847818910000000,  0.250000000000000 ]    mass: 39.098300    reduced_to: 33  - symbol: K  # 50    coordinates: [  0.680752405000000,  0.847818910000000,  0.250000000000000 ]    mass: 39.098300    reduced_to: 33  - symbol: K  # 51    coordinates: [  0.180752405000000,  0.847818910000000,  0.750000000000000 ]    mass: 39.098300    reduced_to: 33  - symbol: K  # 52    coordinates: [  0.680752405000000,  0.847818910000000,  0.750000000000000 ]    mass: 39.098300    reduced_to: 33  - symbol: K  # 53    coordinates: [  0.069247595000000,  0.652181090000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 37  - symbol: K  # 54    coordinates: [  0.569247595000000,  0.652181090000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 37  - symbol: K  # 55    coordinates: [  0.069247595000000,  0.652181090000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 37  - symbol: K  # 56    coordinates: [  0.569247595000000,  0.652181090000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 37  - symbol: K  # 57    coordinates: [  0.319247595000000,  0.847818910000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 41  - symbol: K  # 58    coordinates: [  0.819247595000000,  0.847818910000000,  0.000000000000000 ]    mass: 39.098300    reduced_to: 41  - symbol: K  # 59    coordinates: [  0.319247595000000,  0.847818910000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 41  - symbol: K  # 60    coordinates: [  0.819247595000000,  0.847818910000000,  0.500000000000000 ]    mass: 39.098300    reduced_to: 41  - symbol: K  # 61    coordinates: [  0.430752405000000,  0.652181090000000,  0.250000000000000 ]    mass: 39.098300    reduced_to: 45  - symbol: K  # 62    coordinates: [  0.930752405000000,  0.652181090000000,  0.250000000000000 ]    mass: 39.098300    reduced_to: 45  - symbol: K  # 63    coordinates: [  0.430752405000000,  0.652181090000000,  0.750000000000000 ]    mass: 39.098300    reduced_to: 45  - symbol: K  # 64    coordinates: [  0.930752405000000,  0.652181090000000,  0.750000000000000 ]    mass: 39.098300    reduced_to: 45  - symbol: Zn # 65    coordinates: [  0.000000000000000,  0.000000000000000,  0.375000000000000 ]    mass: 65.380000    reduced_to: 65  - symbol: Zn # 66    coordinates: [  0.500000000000000,  0.000000000000000,  0.375000000000000 ]    mass: 65.380000    reduced_to: 65  - symbol: Zn # 67    coordinates: [  0.000000000000000,  0.000000000000000,  0.875000000000000 ]    mass: 65.380000    reduced_to: 65  - symbol: Zn # 68    coordinates: [  0.500000000000000,  0.000000000000000,  0.875000000000000 ]    mass: 65.380000    reduced_to: 65  - symbol: Zn # 69    coordinates: [  0.000000000000000,  0.000000000000000,  0.125000000000000 ]    mass: 65.380000    reduced_to: 69  - symbol: Zn # 70    coordinates: [  0.500000000000000,  0.000000000000000,  0.125000000000000 ]    mass: 65.380000    reduced_to: 69  - symbol: Zn # 71    coordinates: [  0.000000000000000,  0.000000000000000,  0.625000000000000 ]    mass: 65.380000    reduced_to: 69  - symbol: Zn # 72    coordinates: [  0.500000000000000,  0.000000000000000,  0.625000000000000 ]    mass: 65.380000    reduced_to: 69  - symbol: Zn # 73    coordinates: [  0.250000000000000,  0.500000000000000,  0.125000000000000 ]    mass: 65.380000    reduced_to: 65  - symbol: Zn # 74    coordinates: [  0.750000000000000,  0.500000000000000,  0.125000000000000 ]    mass: 65.380000    reduced_to: 65  - symbol: Zn # 75    coordinates: [  0.250000000000000,  0.500000000000000,  0.625000000000000 ]    mass: 65.380000    reduced_to: 65  - symbol: Zn # 76    coordinates: [  0.750000000000000,  0.500000000000000,  0.625000000000000 ]    mass: 65.380000    reduced_to: 65  - symbol: Zn # 77    coordinates: [  0.250000000000000,  0.500000000000000,  0.375000000000000 ]    mass: 65.380000    reduced_to: 69  - symbol: Zn # 78    coordinates: [  0.750000000000000,  0.500000000000000,  0.375000000000000 ]    mass: 65.380000    reduced_to: 69  - symbol: Zn # 79    coordinates: [  0.250000000000000,  0.500000000000000,  0.875000000000000 ]    mass: 65.380000    reduced_to: 69  - symbol: Zn # 80    coordinates: [  0.750000000000000,  0.500000000000000,  0.875000000000000 ]    mass: 65.380000    reduced_to: 69born_effective_charge:- # 1 (O)  - [ -1.882609210000000, -0.378399110000000,  0.000000000000000 ]  - [ -0.379898660000000, -1.851354570000000, -0.000000000000000 ]  - [  0.000000000000000, -0.000000000000000, -2.241924000000000 ]- # 2 (O)  - [ -1.882609210000000, -0.378399110000000,  0.000000000000000 ]  - [ -0.379898660000000, -1.851354570000000, -0.000000000000000 ]  - [  0.000000000000000, -0.000000000000000, -2.241924000000000 ]- # 3 (O)  - [ -1.882609210000000,  0.378399110000000,  0.000000000000000 ]  - [  0.379898660000000, -1.851354570000000,  0.000000000000000 ]  - [ -0.000000000000000, -0.000000000000000, -2.241924000000000 ]- # 4 (O)  - [ -1.882609210000000,  0.378399110000000,  0.000000000000000 ]  - [  0.379898660000000, -1.851354570000000,  0.000000000000000 ]  - [ -0.000000000000000, -0.000000000000000, -2.241924000000000 ]- # 5 (K)  - [  1.168915480000000, -0.140631050000000,  0.000000000000000 ]  - [ -0.062970500000000,  1.219441380000000,  0.000000000000000 ]  - [  0.000000000000000, -0.000000000000000,  1.073943850000000 ]- # 6 (K)  - [  1.168915480000000, -0.140631050000000,  0.000000000000000 ]  - [ -0.062970500000000,  1.219441380000000,  0.000000000000000 ]  - [  0.000000000000000, -0.000000000000000,  1.073943850000000 ]- # 7 (K)  - [  1.168915480000000,  0.140631050000000, -0.000000000000000 ]  - [  0.062970500000000,  1.219441380000000, -0.000000000000000 ]  - [ -0.000000000000000, -0.000000000000000,  1.073943850000000 ]- # 8 (K)  - [  1.168915480000000,  0.140631050000000, -0.000000000000000 ]  - [  0.062970500000000,  1.219441380000000, -0.000000000000000 ]  - [ -0.000000000000000, -0.000000000000000,  1.073943850000000 ]- # 9 (Zn)  - [  1.427387450000000,  0.000000000000000, -0.000000000000000 ]  - [ -0.000000000000000,  1.263826380000000, -0.000000000000000 ]  - [ -0.000000000000000,  0.000000000000000,  2.335960300000000 ]- # 10 (Zn)  - [  1.427387450000000,  0.000000000000000, -0.000000000000000 ]  - [ -0.000000000000000,  1.263826380000000, -0.000000000000000 ]  - [ -0.000000000000000,  0.000000000000000,  2.335960300000000 ]dielectric_constant:  - [  3.323069950000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  3.198457670000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  3.644264870000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0612977200000000, -0.0340378600000000,  0.0000000000000000 ]  - [   0.0032447900000000,  0.0003021000000000,  0.0000000000000000 ]  - [  -0.0020984200000000, -0.0006880800000000,  0.0000000000000000 ]  - [   0.0014389000000000,  0.0002933000000000,  0.0000000000000000 ]  - [  -0.0009625200000000,  0.0009136800000000, -0.0007454300000000 ]  - [   0.0006916400000000, -0.0000736800000000,  0.0000771400000000 ]  - [  -0.0009625200000000,  0.0009136800000000,  0.0007454300000000 ]  - [   0.0006916400000000, -0.0000736800000000, -0.0000771400000000 ]  - [   0.0005637300000000, -0.0012905800000000,  0.0000000000000000 ]  - [   0.0005707400000000,  0.0028713300000000,  0.0000000000000000 ]  - [   0.0002614800000000, -0.0004683300000000,  0.0000000000000000 ]  - [   0.0002646300000000,  0.0000718300000000,  0.0000000000000000 ]  - [   0.0020011500000000,  0.0000967400000000,  0.0066708600000000 ]  - [   0.0020108200000000, -0.0005803300000000, -0.0017568900000000 ]  - [   0.0020011500000000,  0.0000967400000000, -0.0066708600000000 ]  - [   0.0020108200000000, -0.0005803300000000,  0.0017568900000000 ]  - [   0.0003435500000000,  0.0005961800000000,  0.0004200100000000 ]  - [   0.0003487800000000,  0.0003405700000000, -0.0004824300000000 ]  - [   0.0003435500000000,  0.0005961800000000, -0.0004200100000000 ]  - [   0.0003487800000000,  0.0003405700000000,  0.0004824300000000 ]  - [   0.0101525300000000,  0.0127229700000000,  0.0000000000000000 ]  - [   0.0032358900000000, -0.0015291400000000,  0.0000000000000000 ]  - [  -0.0007541200000000,  0.0006370800000000,  0.0000000000000000 ]  - [   0.0000845200000000, -0.0004203900000000,  0.0000000000000000 ]  - [  -0.0036467100000000,  0.0003700900000000,  0.0001580000000000 ]  - [   0.0018779200000000, -0.0006668800000000, -0.0001595000000000 ]  - [  -0.0036467100000000,  0.0003700900000000, -0.0001580000000000 ]  - [   0.0018779200000000, -0.0006668800000000,  0.0001595000000000 ]  - [  -0.0016518000000000, -0.0006336100000000,  0.0000000000000000 ]  - [   0.0009732100000000,  0.0003368700000000,  0.0000000000000000 ]  - [  -0.0007389000000000,  0.0005870600000000,  0.0000000000000000 ]  - [   0.0004188300000000,  0.0000429200000000,  0.0000000000000000 ]  - [  -0.0043230600000000,  0.0015695400000000,  0.0000000000000000 ]  - [   0.0028393600000000,  0.0002957700000000,  0.0000000000000000 ]  - [  -0.0005224400000000,  0.0002872600000000,  0.0000000000000000 ]  - [  -0.0002502900000000,  0.0000570800000000,  0.0000000000000000 ]  - [   0.0006464900000000,  0.0009213200000000, -0.0004233300000000 ]  - [  -0.0005233300000000, -0.0004512000000000,  0.0005008200000000 ]  - [   0.0006464900000000,  0.0009213200000000,  0.0004233300000000 ]  - [  -0.0005233300000000, -0.0004512000000000, -0.0005008200000000 ]  - [   0.0025256600000000, -0.0000588800000000,  0.0019943300000000 ]  - [  -0.0010735800000000,  0.0000787600000000, -0.0001412700000000 ]  - [   0.0025256600000000, -0.0000588800000000, -0.0019943300000000 ]  - [  -0.0010735800000000,  0.0000787600000000,  0.0001412700000000 ]  - [   0.0026039400000000, -0.0015590800000000,  0.0000000000000000 ]  - [  -0.0013230600000000, -0.0003259800000000,  0.0000000000000000 ]  - [   0.0005773500000000,  0.0001755500000000,  0.0000000000000000 ]  - [  -0.0006234500000000, -0.0000941400000000,  0.0000000000000000 ]  - [   0.0006164200000000, -0.0004171800000000, -0.0000123800000000 ]  - [  -0.0006839400000000,  0.0000350900000000,  0.0000172500000000 ]  - [   0.0006164200000000, -0.0004171800000000,  0.0000123800000000 ]  - [  -0.0006839400000000,  0.0000350900000000, -0.0000172500000000 ]  - [   0.0035948800000000,  0.0008046500000000,  0.0000000000000000 ]  - [  -0.0015518300000000, -0.0000481500000000,  0.0000000000000000 ]  - [   0.0006428700000000, -0.0000877600000000,  0.0000000000000000 ]  - [  -0.0004764500000000, -0.0000090600000000,  0.0000000000000000 ]  - [   0.0007567200000000, -0.0012064800000000,  0.0000000000000000 ]  - [  -0.0004012600000000,  0.0001065000000000,  0.0000000000000000 ]  - [   0.0004033400000000, -0.0002237500000000,  0.0000000000000000 ]  - [  -0.0000893900000000, -0.0000239500000000,  0.0000000000000000 ]  - [  -0.0008159800000000, -0.0007033800000000, -0.0009741500000000 ]  - [  -0.0003679000000000,  0.0007665300000000,  0.0009131800000000 ]  - [  -0.0008159800000000, -0.0007033800000000,  0.0009741500000000 ]  - [  -0.0003679000000000,  0.0007665300000000, -0.0009131800000000 ]  - [   0.0000667200000000, -0.0002694200000000,  0.0004155800000000 ]  - [  -0.0004436100000000, -0.0000389800000000, -0.0001210900000000 ]  - [   0.0004584200000000, -0.0007930600000000, -0.0007012000000000 ]  - [  -0.0006407900000000,  0.0000102400000000,  0.0002925600000000 ]  - [   0.0004584200000000, -0.0007930600000000,  0.0007012000000000 ]  - [  -0.0006407900000000,  0.0000102400000000, -0.0002925600000000 ]  - [   0.0000667200000000, -0.0002694200000000, -0.0004155800000000 ]  - [  -0.0004436100000000, -0.0000389800000000,  0.0001210900000000 ]  - [   0.0200992200000000,  0.0109294600000000,  0.0173701600000000 ]  - [  -0.0020688100000000,  0.0001673300000000,  0.0006329600000000 ]  - [   0.0022892600000000, -0.0009935400000000,  0.0012348100000000 ]  - [  -0.0010116300000000,  0.0005627800000000, -0.0005369900000000 ]  - [   0.0022892600000000, -0.0009935400000000, -0.0012348100000000 ]  - [  -0.0010116300000000,  0.0005627800000000,  0.0005369900000000 ]  - [   0.0200992200000000,  0.0109294600000000, -0.0173701600000000 ]  - [  -0.0020688100000000,  0.0001673300000000, -0.0006329600000000 ]- atom:    1  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0613383000000000,  0.0331429800000000,  0.0000000000000000 ]  - [  -0.0029321900000000, -0.0000336800000000,  0.0000000000000000 ]  - [   0.0024176400000000,  0.0009540900000000,  0.0000000000000000 ]  - [  -0.0011273500000000, -0.0000333500000000,  0.0000000000000000 ]  - [   0.0006563800000000, -0.0011722300000000,  0.0007475400000000 ]  - [  -0.0010137000000000, -0.0001897300000000, -0.0000724500000000 ]  - [   0.0006563800000000, -0.0011722300000000, -0.0007475400000000 ]  - [  -0.0010137000000000, -0.0001897300000000,  0.0000724500000000 ]  - [  -0.0002512900000000,  0.0010237900000000,  0.0000000000000000 ]  - [  -0.0002506100000000, -0.0031554600000000,  0.0000000000000000 ]  - [   0.0000555300000000,  0.0002040500000000,  0.0000000000000000 ]  - [   0.0000573800000000, -0.0003345500000000,  0.0000000000000000 ]  - [  -0.0023301200000000,  0.0001715200000000, -0.0066460300000000 ]  - [  -0.0023370600000000,  0.0008486100000000,  0.0017735300000000 ]  - [  -0.0023301200000000,  0.0001715200000000,  0.0066460300000000 ]  - [  -0.0023370600000000,  0.0008486100000000, -0.0017735300000000 ]  - [  -0.0000296700000000, -0.0003365800000000, -0.0004150100000000 ]  - [  -0.0000287700000000, -0.0000834000000000,  0.0004885400000000 ]  - [  -0.0000296700000000, -0.0003365800000000,  0.0004150100000000 ]  - [  -0.0000287700000000, -0.0000834000000000, -0.0004885400000000 ]  - [  -0.0104036300000000, -0.0128459100000000,  0.0000000000000000 ]  - [  -0.0035626800000000,  0.0012850700000000,  0.0000000000000000 ]  - [   0.0004308700000000, -0.0008930900000000,  0.0000000000000000 ]  - [  -0.0004015800000000,  0.0001601400000000,  0.0000000000000000 ]  - [   0.0039998900000000, -0.0006661000000000, -0.0002207900000000 ]  - [  -0.0015666400000000,  0.0004092300000000,  0.0001625000000000 ]  - [   0.0039998900000000, -0.0006661000000000,  0.0002207900000000 ]  - [  -0.0015666400000000,  0.0004092300000000, -0.0001625000000000 ]  - [   0.0013501100000000,  0.0008883200000000,  0.0000000000000000 ]  - [  -0.0012935400000000, -0.0000750000000000,  0.0000000000000000 ]  - [   0.0004278000000000, -0.0003312200000000,  0.0000000000000000 ]  - [  -0.0007426000000000,  0.0002214600000000,  0.0000000000000000 ]  - [   0.0040587300000000, -0.0015941200000000,  0.0000000000000000 ]  - [  -0.0035027100000000, -0.0004120600000000,  0.0000000000000000 ]  - [   0.0002468000000000, -0.0003141800000000,  0.0000000000000000 ]  - [  -0.0000341200000000, -0.0000838300000000,  0.0000000000000000 ]  - [  -0.0003624000000000, -0.0008988500000000,  0.0004241800000000 ]  - [   0.0008044400000000,  0.0004830300000000, -0.0005063800000000 ]  - [  -0.0003624000000000, -0.0008988500000000, -0.0004241800000000 ]  - [   0.0008044400000000,  0.0004830300000000,  0.0005063800000000 ]  - [  -0.0022802700000000,  0.0000192800000000, -0.0019621200000000 ]  - [   0.0013573600000000, -0.0001045700000000,  0.0001368500000000 ]  - [  -0.0022802700000000,  0.0000192800000000,  0.0019621200000000 ]  - [   0.0013573600000000, -0.0001045700000000, -0.0001368500000000 ]  - [  -0.0029034900000000,  0.0016135000000000,  0.0000000000000000 ]  - [   0.0010496200000000,  0.0003584200000000,  0.0000000000000000 ]  - [  -0.0008576200000000, -0.0001512800000000,  0.0000000000000000 ]  - [   0.0003449700000000,  0.0001195400000000,  0.0000000000000000 ]  - [  -0.0008969300000000,  0.0003981400000000,  0.0000113500000000 ]  - [   0.0004050600000000, -0.0000603900000000, -0.0000184500000000 ]  - [  -0.0008969300000000,  0.0003981400000000, -0.0000113500000000 ]  - [   0.0004050600000000, -0.0000603900000000,  0.0000184500000000 ]  - [  -0.0033398200000000, -0.0007245300000000,  0.0000000000000000 ]  - [   0.0018343200000000,  0.0000726300000000,  0.0000000000000000 ]  - [  -0.0003699300000000,  0.0001147400000000,  0.0000000000000000 ]  - [   0.0007589100000000,  0.0000355000000000,  0.0000000000000000 ]  - [  -0.0004746100000000,  0.0011814600000000,  0.0000000000000000 ]  - [   0.0006786700000000, -0.0001321200000000,  0.0000000000000000 ]  - [  -0.0001201900000000,  0.0002011700000000,  0.0000000000000000 ]  - [   0.0003675900000000, -0.0000026600000000,  0.0000000000000000 ]  - [   0.0005460400000000,  0.0007337600000000,  0.0009737800000000 ]  - [   0.0000814900000000, -0.0007470600000000, -0.0009195800000000 ]  - [   0.0005460400000000,  0.0007337600000000, -0.0009737800000000 ]  - [   0.0000814900000000, -0.0007470600000000,  0.0009195800000000 ]  - [  -0.0000706700000000,  0.0002701100000000, -0.0004160000000000 ]  - [   0.0004453000000000,  0.0000399900000000,  0.0001194100000000 ]  - [  -0.0004695600000000,  0.0008003700000000,  0.0007054300000000 ]  - [   0.0006423400000000, -0.0000092000000000, -0.0002891600000000 ]  - [  -0.0004695600000000,  0.0008003700000000, -0.0007054300000000 ]  - [   0.0006423400000000, -0.0000092000000000,  0.0002891600000000 ]  - [  -0.0000706700000000,  0.0002701100000000,  0.0004160000000000 ]  - [   0.0004453000000000,  0.0000399900000000, -0.0001194100000000 ]  - [  -0.0197901700000000, -0.0103756500000000, -0.0166416500000000 ]  - [   0.0020784200000000, -0.0001736900000000, -0.0006427600000000 ]  - [  -0.0022786400000000,  0.0009809800000000, -0.0012500800000000 ]  - [   0.0010132400000000, -0.0005674800000000,  0.0005414700000000 ]  - [  -0.0022786400000000,  0.0009809800000000,  0.0012500800000000 ]  - [   0.0010132400000000, -0.0005674800000000, -0.0005414700000000 ]  - [  -0.0197901700000000, -0.0103756500000000,  0.0166416500000000 ]  - [   0.0020784200000000, -0.0001736900000000,  0.0006427600000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0338852700000000, -0.0678580300000000,  0.0000000000000000 ]  - [   0.0003230300000000, -0.0008148600000000,  0.0000000000000000 ]  - [  -0.0006575000000000, -0.0016265400000000,  0.0000000000000000 ]  - [   0.0003235800000000, -0.0001683600000000,  0.0000000000000000 ]  - [   0.0008801700000000,  0.0018219500000000, -0.0021405800000000 ]  - [  -0.0001002600000000,  0.0000275000000000, -0.0002740400000000 ]  - [   0.0008801700000000,  0.0018219500000000,  0.0021405800000000 ]  - [  -0.0001002600000000,  0.0000275000000000,  0.0002740400000000 ]  - [  -0.0028421700000000,  0.0015100200000000,  0.0000000000000000 ]  - [   0.0013141600000000,  0.0015099500000000,  0.0000000000000000 ]  - [  -0.0000485600000000,  0.0000178400000000,  0.0000000000000000 ]  - [   0.0004920300000000,  0.0000155700000000,  0.0000000000000000 ]  - [  -0.0001422500000000, -0.0024394000000000, -0.0004693600000000 ]  - [   0.0005546800000000, -0.0008136100000000, -0.0002840400000000 ]  - [  -0.0001422500000000, -0.0024394000000000,  0.0004693600000000 ]  - [   0.0005546800000000, -0.0008136100000000,  0.0002840400000000 ]  - [   0.0003710100000000,  0.0012497300000000, -0.0000557800000000 ]  - [   0.0006238300000000,  0.0012514200000000, -0.0002418100000000 ]  - [   0.0003710100000000,  0.0012497300000000,  0.0000557800000000 ]  - [   0.0006238300000000,  0.0012514200000000,  0.0002418100000000 ]  - [   0.0126829400000000,  0.0078675400000000,  0.0000000000000000 ]  - [  -0.0015647000000000, -0.0009511300000000,  0.0000000000000000 ]  - [   0.0005997700000000, -0.0005441200000000,  0.0000000000000000 ]  - [  -0.0004531300000000, -0.0003530200000000,  0.0000000000000000 ]  - [  -0.0003571300000000,  0.0021249800000000,  0.0073738200000000 ]  - [   0.0006933600000000, -0.0004412200000000,  0.0002467500000000 ]  - [  -0.0003571300000000,  0.0021249800000000, -0.0073738200000000 ]  - [   0.0006933600000000, -0.0004412200000000, -0.0002467500000000 ]  - [   0.0005915600000000,  0.0052171100000000,  0.0000000000000000 ]  - [  -0.0003662100000000,  0.0013731200000000,  0.0000000000000000 ]  - [  -0.0006113800000000,  0.0013974600000000,  0.0000000000000000 ]  - [  -0.0000731300000000,  0.0004417700000000,  0.0000000000000000 ]  - [   0.0016235000000000,  0.0024813400000000,  0.0000000000000000 ]  - [  -0.0004260800000000,  0.0028837700000000,  0.0000000000000000 ]  - [  -0.0002452300000000,  0.0003649000000000,  0.0000000000000000 ]  - [  -0.0002690400000000,  0.0004050100000000,  0.0000000000000000 ]  - [   0.0013589600000000, -0.0005947100000000,  0.0015708400000000 ]  - [  -0.0002861400000000,  0.0000135000000000,  0.0002548500000000 ]  - [   0.0013589600000000, -0.0005947100000000, -0.0015708400000000 ]  - [  -0.0002861400000000,  0.0000135000000000, -0.0002548500000000 ]  - [   0.0000773500000000,  0.0028437100000000,  0.0012415000000000 ]  - [   0.0000465000000000,  0.0003541900000000,  0.0000450100000000 ]  - [   0.0000773500000000,  0.0028437100000000, -0.0012415000000000 ]  - [   0.0000465000000000,  0.0003541900000000, -0.0000450100000000 ]  - [  -0.0015915700000000,  0.0098362400000000,  0.0000000000000000 ]  - [  -0.0003308700000000,  0.0000454100000000,  0.0000000000000000 ]  - [   0.0001238900000000,  0.0001685600000000,  0.0000000000000000 ]  - [  -0.0002677300000000,  0.0000888000000000,  0.0000000000000000 ]  - [   0.0000594700000000, -0.0015678000000000, -0.0001406400000000 ]  - [  -0.0002821900000000, -0.0003239000000000, -0.0000179800000000 ]  - [   0.0000594700000000, -0.0015678000000000,  0.0001406400000000 ]  - [  -0.0002821900000000, -0.0003239000000000,  0.0000179800000000 ]  - [  -0.0002957200000000,  0.0029586600000000,  0.0000000000000000 ]  - [  -0.0007087000000000, -0.0001144500000000,  0.0000000000000000 ]  - [   0.0006116200000000, -0.0002411400000000,  0.0000000000000000 ]  - [  -0.0001158800000000, -0.0000751400000000,  0.0000000000000000 ]  - [   0.0003055200000000, -0.0024970600000000,  0.0000000000000000 ]  - [   0.0001830500000000, -0.0007280800000000,  0.0000000000000000 ]  - [   0.0000443300000000, -0.0006466200000000,  0.0000000000000000 ]  - [   0.0000962400000000, -0.0003211400000000,  0.0000000000000000 ]  - [  -0.0008719200000000, -0.0003258200000000, -0.0008460600000000 ]  - [   0.0006848300000000, -0.0001743300000000, -0.0004210500000000 ]  - [  -0.0008719200000000, -0.0003258200000000,  0.0008460600000000 ]  - [   0.0006848300000000, -0.0001743300000000,  0.0004210500000000 ]  - [  -0.0004629800000000, -0.0008859900000000,  0.0006701200000000 ]  - [  -0.0000929600000000, -0.0002922200000000,  0.0000265900000000 ]  - [  -0.0005459200000000, -0.0016045700000000, -0.0003918300000000 ]  - [   0.0004049300000000, -0.0009267400000000, -0.0006169900000000 ]  - [  -0.0005459200000000, -0.0016045700000000,  0.0003918300000000 ]  - [   0.0004049300000000, -0.0009267400000000,  0.0006169900000000 ]  - [  -0.0004629800000000, -0.0008859900000000, -0.0006701200000000 ]  - [  -0.0000929600000000, -0.0002922200000000, -0.0000265900000000 ]  - [   0.0116287700000000,  0.0166921800000000,  0.0158515000000000 ]  - [  -0.0001592300000000,  0.0007628400000000, -0.0002093700000000 ]  - [  -0.0011442900000000,  0.0020070400000000,  0.0010142700000000 ]  - [  -0.0002197900000000,  0.0004195800000000, -0.0000938400000000 ]  - [  -0.0011442900000000,  0.0020070400000000, -0.0010142700000000 ]  - [  -0.0002197900000000,  0.0004195800000000,  0.0000938400000000 ]  - [   0.0116287700000000,  0.0166921800000000, -0.0158515000000000 ]  - [  -0.0001592300000000,  0.0007628400000000,  0.0002093700000000 ]- atom:    1  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0332943100000000,  0.0682023700000000,  0.0000000000000000 ]  - [  -0.0000066500000000,  0.0010742600000000,  0.0000000000000000 ]  - [   0.0009939800000000,  0.0018992000000000,  0.0000000000000000 ]  - [   0.0000074800000000,  0.0004406900000000,  0.0000000000000000 ]  - [  -0.0012134200000000, -0.0020925200000000,  0.0021568100000000 ]  - [  -0.0002238200000000, -0.0002942700000000,  0.0002761100000000 ]  - [  -0.0012134200000000, -0.0020925200000000, -0.0021568100000000 ]  - [  -0.0002238200000000, -0.0002942700000000, -0.0002761100000000 ]  - [   0.0032019200000000, -0.0017847300000000,  0.0000000000000000 ]  - [  -0.0009965900000000, -0.0017773500000000,  0.0000000000000000 ]  - [   0.0003710100000000, -0.0002807400000000,  0.0000000000000000 ]  - [  -0.0001734400000000, -0.0002800500000000,  0.0000000000000000 ]  - [  -0.0002207200000000,  0.0027369000000000,  0.0004135700000000 ]  - [  -0.0008769600000000,  0.0010810900000000,  0.0002881500000000 ]  - [  -0.0002207200000000,  0.0027369000000000, -0.0004135700000000 ]  - [  -0.0008769600000000,  0.0010810900000000, -0.0002881500000000 ]  - [  -0.0000413400000000, -0.0009860700000000,  0.0000588400000000 ]  - [  -0.0003024500000000, -0.0009848000000000,  0.0002421000000000 ]  - [  -0.0000413400000000, -0.0009860700000000, -0.0000588400000000 ]  - [  -0.0003024500000000, -0.0009848000000000, -0.0002421000000000 ]  - [  -0.0128865500000000, -0.0081112500000000,  0.0000000000000000 ]  - [   0.0012418600000000,  0.0006776800000000,  0.0000000000000000 ]  - [  -0.0009307000000000,  0.0002651100000000,  0.0000000000000000 ]  - [   0.0001225800000000,  0.0000755700000000,  0.0000000000000000 ]  - [   0.0006877300000000, -0.0024118600000000, -0.0073503400000000 ]  - [  -0.0003712300000000,  0.0001692200000000, -0.0002397900000000 ]  - [   0.0006877300000000, -0.0024118600000000,  0.0073503400000000 ]  - [  -0.0003712300000000,  0.0001692200000000,  0.0002397900000000 ]  - [  -0.0009343300000000, -0.0049500600000000,  0.0000000000000000 ]  - [   0.0000404300000000, -0.0011050900000000,  0.0000000000000000 ]  - [   0.0002932200000000, -0.0011357100000000,  0.0000000000000000 ]  - [  -0.0002492800000000, -0.0001748900000000,  0.0000000000000000 ]  - [  -0.0018816900000000, -0.0025253200000000,  0.0000000000000000 ]  - [   0.0001257100000000, -0.0029175200000000,  0.0000000000000000 ]  - [  -0.0000300400000000, -0.0003902600000000,  0.0000000000000000 ]  - [  -0.0000132300000000, -0.0004342700000000,  0.0000000000000000 ]  - [  -0.0010921500000000,  0.0006123400000000, -0.0015850500000000 ]  - [   0.0005676000000000,  0.0000122700000000, -0.0002545100000000 ]  - [  -0.0010921500000000,  0.0006123400000000,  0.0015850500000000 ]  - [   0.0005676000000000,  0.0000122700000000,  0.0002545100000000 ]  - [   0.0001860000000000, -0.0028910100000000, -0.0012182200000000 ]  - [   0.0002388300000000, -0.0003850500000000, -0.0000473000000000 ]  - [   0.0001860000000000, -0.0028910100000000,  0.0012182200000000 ]  - [   0.0002388300000000, -0.0003850500000000,  0.0000473000000000 ]  - [   0.0013958100000000, -0.0105170000000000,  0.0000000000000000 ]  - [   0.0000506200000000, -0.0000245900000000,  0.0000000000000000 ]  - [  -0.0004078000000000, -0.0001477300000000,  0.0000000000000000 ]  - [  -0.0000099800000000, -0.0000682800000000,  0.0000000000000000 ]  - [  -0.0003440500000000,  0.0015477500000000,  0.0001325300000000 ]  - [   0.0000034700000000,  0.0003026600000000,  0.0000174100000000 ]  - [  -0.0003440500000000,  0.0015477500000000, -0.0001325300000000 ]  - [   0.0000034700000000,  0.0003026600000000, -0.0000174100000000 ]  - [   0.0004319900000000, -0.0026103000000000,  0.0000000000000000 ]  - [   0.0009947300000000,  0.0001457400000000,  0.0000000000000000 ]  - [  -0.0003382400000000,  0.0002685100000000,  0.0000000000000000 ]  - [   0.0003967100000000,  0.0001057100000000,  0.0000000000000000 ]  - [  -0.0000371300000000,  0.0024854300000000,  0.0000000000000000 ]  - [   0.0000995600000000,  0.0007062200000000,  0.0000000000000000 ]  - [   0.0002354300000000,  0.0006209000000000,  0.0000000000000000 ]  - [   0.0001823400000000,  0.0002968700000000,  0.0000000000000000 ]  - [   0.0005990300000000,  0.0003612200000000,  0.0008479600000000 ]  - [  -0.0009627000000000,  0.0002024100000000,  0.0004181800000000 ]  - [   0.0005990300000000,  0.0003612200000000, -0.0008479600000000 ]  - [  -0.0009627000000000,  0.0002024100000000, -0.0004181800000000 ]  - [   0.0004656600000000,  0.0008865400000000, -0.0006743300000000 ]  - [   0.0000921400000000,  0.0002923000000000, -0.0000296700000000 ]  - [   0.0005604900000000,  0.0016072500000000,  0.0004032700000000 ]  - [  -0.0004096900000000,  0.0009302000000000,  0.0006243000000000 ]  - [   0.0005604900000000,  0.0016072500000000, -0.0004032700000000 ]  - [  -0.0004096900000000,  0.0009302000000000, -0.0006243000000000 ]  - [   0.0004656600000000,  0.0008865400000000,  0.0006743300000000 ]  - [   0.0000921400000000,  0.0002923000000000,  0.0000296700000000 ]  - [  -0.0111489800000000, -0.0165388900000000, -0.0152905100000000 ]  - [   0.0001607800000000, -0.0007549100000000,  0.0002069100000000 ]  - [   0.0011342800000000, -0.0020014400000000, -0.0010301800000000 ]  - [   0.0002194900000000, -0.0004158800000000,  0.0000935600000000 ]  - [   0.0011342800000000, -0.0020014400000000,  0.0010301800000000 ]  - [   0.0002194900000000, -0.0004158800000000, -0.0000935600000000 ]  - [  -0.0111489800000000, -0.0165388900000000,  0.0152905100000000 ]  - [   0.0001607800000000, -0.0007549100000000, -0.0002069100000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0008154300000000, -0.0007743500000000, -0.0725187000000000 ]  - [   0.0001528100000000,  0.0001273300000000, -0.0008369700000000 ]  - [   0.0001621400000000,  0.0001323700000000,  0.0050007800000000 ]  - [   0.0001537900000000,  0.0001268000000000,  0.0009121900000000 ]  - [  -0.0008999800000000, -0.0022822300000000,  0.0004810600000000 ]  - [  -0.0000801000000000, -0.0004046100000000, -0.0000034000000000 ]  - [   0.0005878000000000,  0.0020094800000000,  0.0004887300000000 ]  - [  -0.0002309900000000,  0.0001479700000000,  0.0000012900000000 ]  - [   0.0001512500000000, -0.0001257100000000, -0.0009650600000000 ]  - [   0.0001568600000000, -0.0001254600000000, -0.0009655500000000 ]  - [   0.0001568500000000, -0.0001299300000000,  0.0008670100000000 ]  - [   0.0001546100000000, -0.0001299500000000,  0.0008690100000000 ]  - [   0.0065302000000000,  0.0005727500000000,  0.0069186600000000 ]  - [  -0.0019272100000000,  0.0004145500000000,  0.0001235500000000 ]  - [  -0.0067819100000000, -0.0003109300000000,  0.0068875400000000 ]  - [   0.0016035300000000, -0.0001571700000000,  0.0001322800000000 ]  - [   0.0006394400000000,  0.0003658100000000, -0.0000221700000000 ]  - [  -0.0002646700000000,  0.0001841800000000, -0.0000223800000000 ]  - [  -0.0003290000000000, -0.0001140200000000, -0.0000149300000000 ]  - [   0.0005736000000000,  0.0000699500000000, -0.0000163200000000 ]  - [  -0.0001886000000000, -0.0001584900000000, -0.0095285200000000 ]  - [  -0.0001503000000000, -0.0001284700000000, -0.0011718900000000 ]  - [  -0.0001525600000000, -0.0001254200000000,  0.0042246800000000 ]  - [  -0.0001559600000000, -0.0001260200000000,  0.0009241100000000 ]  - [  -0.0000305000000000,  0.0072698400000000,  0.0089413800000000 ]  - [   0.0003135900000000,  0.0001174500000000, -0.0000269500000000 ]  - [   0.0003432700000000, -0.0074530800000000,  0.0088930900000000 ]  - [  -0.0000087400000000, -0.0003691700000000, -0.0000204900000000 ]  - [  -0.0001518300000000,  0.0001238100000000, -0.0010741100000000 ]  - [  -0.0001564900000000,  0.0001261700000000, -0.0003995200000000 ]  - [  -0.0001549900000000,  0.0001285100000000,  0.0013586200000000 ]  - [  -0.0001560600000000,  0.0001269000000000,  0.0004082600000000 ]  - [  -0.0001294500000000, -0.0000175700000000,  0.0024431900000000 ]  - [  -0.0001229500000000, -0.0000102600000000,  0.0025649000000000 ]  - [  -0.0001398400000000, -0.0000130200000000, -0.0015037100000000 ]  - [  -0.0001349000000000, -0.0000134900000000, -0.0013842600000000 ]  - [  -0.0006697100000000,  0.0016025800000000, -0.0004997200000000 ]  - [   0.0004719700000000,  0.0002837200000000, -0.0000075700000000 ]  - [   0.0009425300000000, -0.0015711800000000, -0.0005036300000000 ]  - [  -0.0001889800000000, -0.0002552100000000, -0.0000105700000000 ]  - [   0.0018497000000000,  0.0013586600000000, -0.0012617300000000 ]  - [  -0.0004406400000000,  0.0001704900000000,  0.0000354600000000 ]  - [  -0.0016177800000000, -0.0014120900000000, -0.0014050100000000 ]  - [   0.0007219900000000, -0.0001973400000000,  0.0000317400000000 ]  - [  -0.0001464800000000,  0.0000386600000000,  0.0019809900000000 ]  - [  -0.0001393700000000,  0.0000127700000000,  0.0002738800000000 ]  - [  -0.0001405700000000,  0.0000152100000000, -0.0011362600000000 ]  - [  -0.0001388200000000,  0.0000134300000000, -0.0002803400000000 ]  - [  -0.0001299900000000, -0.0007868400000000,  0.0000068800000000 ]  - [  -0.0001319800000000, -0.0000756800000000,  0.0000033600000000 ]  - [  -0.0001507600000000,  0.0007633600000000,  0.0000013900000000 ]  - [  -0.0001454800000000,  0.0000505400000000,  0.0000017100000000 ]  - [   0.0001392100000000,  0.0000096300000000,  0.0031301700000000 ]  - [   0.0001447000000000,  0.0000135800000000,  0.0003880300000000 ]  - [   0.0001395100000000,  0.0000117000000000, -0.0017005300000000 ]  - [   0.0001403600000000,  0.0000123300000000, -0.0004469500000000 ]  - [   0.0001395900000000, -0.0000082800000000,  0.0006673100000000 ]  - [   0.0001391900000000, -0.0000121100000000,  0.0002899200000000 ]  - [   0.0001382500000000, -0.0000134400000000, -0.0006976600000000 ]  - [   0.0001405000000000, -0.0000127400000000, -0.0002947100000000 ]  - [  -0.0011382500000000, -0.0009812700000000, -0.0001165900000000 ]  - [   0.0008793700000000, -0.0006736500000000, -0.0001680300000000 ]  - [   0.0008628700000000,  0.0010079000000000, -0.0001277800000000 ]  - [  -0.0011564200000000,  0.0006951200000000, -0.0001722500000000 ]  - [   0.0004658000000000,  0.0003672100000000, -0.0010372300000000 ]  - [  -0.0000972800000000, -0.0000178900000000, -0.0004935000000000 ]  - [  -0.0004432000000000, -0.0004505000000000,  0.0010054500000000 ]  - [   0.0000928400000000,  0.0000186900000000,  0.0004992200000000 ]  - [   0.0004415400000000,  0.0004549300000000,  0.0010178200000000 ]  - [  -0.0000914600000000, -0.0000182100000000,  0.0005053300000000 ]  - [  -0.0004626500000000, -0.0003651700000000, -0.0010389100000000 ]  - [   0.0000954900000000,  0.0000201600000000, -0.0004957000000000 ]  - [   0.0104206600000000,  0.0083885000000000,  0.0260353700000000 ]  - [   0.0002758200000000, -0.0002440700000000,  0.0008369400000000 ]  - [   0.0004662500000000, -0.0001154300000000, -0.0055448400000000 ]  - [  -0.0002122400000000,  0.0002469400000000, -0.0008327700000000 ]  - [  -0.0004740900000000,  0.0001101300000000, -0.0055446900000000 ]  - [   0.0002151200000000, -0.0002490100000000, -0.0008309400000000 ]  - [  -0.0094516000000000, -0.0075232900000000,  0.0251441300000000 ]  - [  -0.0002728200000000,  0.0002426000000000,  0.0008274000000000 ]- atom:   33  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0040294100000000,  0.0018861100000000,  0.0000000000000000 ]  - [   0.0035304100000000, -0.0001044200000000,  0.0000000000000000 ]  - [  -0.0002183400000000,  0.0000323500000000,  0.0000000000000000 ]  - [   0.0000666000000000,  0.0000115000000000,  0.0000000000000000 ]  - [  -0.0008320400000000, -0.0005629200000000,  0.0003288000000000 ]  - [   0.0003428400000000,  0.0010917200000000, -0.0008108900000000 ]  - [  -0.0008320400000000, -0.0005629200000000, -0.0003288000000000 ]  - [   0.0003428400000000,  0.0010917200000000,  0.0008108900000000 ]  - [   0.0029424900000000,  0.0013544000000000,  0.0000000000000000 ]  - [  -0.0010194200000000,  0.0000565700000000,  0.0000000000000000 ]  - [   0.0008804400000000, -0.0003976000000000,  0.0000000000000000 ]  - [  -0.0003161200000000, -0.0000066900000000,  0.0000000000000000 ]  - [   0.0022208100000000,  0.0002020000000000,  0.0017524200000000 ]  - [  -0.0013834300000000,  0.0002295200000000, -0.0005780400000000 ]  - [   0.0022208100000000,  0.0002020000000000, -0.0017524200000000 ]  - [  -0.0013834300000000,  0.0002295200000000,  0.0005780400000000 ]  - [   0.0009267200000000,  0.0003367400000000, -0.0000109000000000 ]  - [  -0.0003759700000000, -0.0000065100000000, -0.0000075500000000 ]  - [   0.0009267200000000,  0.0003367400000000,  0.0000109000000000 ]  - [  -0.0003759700000000, -0.0000065100000000,  0.0000075500000000 ]  - [   0.0032944600000000, -0.0004734800000000,  0.0000000000000000 ]  - [  -0.0018514900000000, -0.0009809900000000,  0.0000000000000000 ]  - [   0.0003350500000000,  0.0003380900000000,  0.0000000000000000 ]  - [  -0.0007913600000000, -0.0004008500000000,  0.0000000000000000 ]  - [  -0.0005163600000000,  0.0006020300000000,  0.0010005500000000 ]  - [  -0.0000594700000000, -0.0009624000000000, -0.0010172200000000 ]  - [  -0.0005163600000000,  0.0006020300000000, -0.0010005500000000 ]  - [  -0.0000594700000000, -0.0009624000000000,  0.0010172200000000 ]  - [  -0.0007081600000000,  0.0000972700000000,  0.0000000000000000 ]  - [   0.0004533700000000, -0.0000359000000000,  0.0000000000000000 ]  - [  -0.0003958800000000,  0.0001809000000000,  0.0000000000000000 ]  - [   0.0001051800000000,  0.0002231000000000,  0.0000000000000000 ]  - [  -0.0309683500000000,  0.0059841000000000,  0.0000000000000000 ]  - [   0.0011311000000000, -0.0000568200000000,  0.0000000000000000 ]  - [  -0.0008453100000000,  0.0001555000000000,  0.0000000000000000 ]  - [   0.0002939200000000, -0.0000985900000000,  0.0000000000000000 ]  - [  -0.0003512200000000,  0.0014839700000000, -0.0014971100000000 ]  - [   0.0006768400000000, -0.0002493300000000,  0.0002148800000000 ]  - [  -0.0003512200000000,  0.0014839700000000,  0.0014971100000000 ]  - [   0.0006768400000000, -0.0002493300000000, -0.0002148800000000 ]  - [   0.0009413600000000,  0.0001011000000000, -0.0005010700000000 ]  - [   0.0012192200000000,  0.0000600500000000,  0.0059085200000000 ]  - [   0.0009413600000000,  0.0001011000000000,  0.0005010700000000 ]  - [   0.0012192200000000,  0.0000600500000000, -0.0059085200000000 ]  - [   0.0028353400000000,  0.0032144700000000,  0.0000000000000000 ]  - [   0.0028544600000000, -0.0032310400000000,  0.0000000000000000 ]  - [  -0.0000475100000000,  0.0001922100000000,  0.0000000000000000 ]  - [  -0.0000473400000000, -0.0001551300000000,  0.0000000000000000 ]  - [  -0.0001090400000000, -0.0001487200000000, -0.0000783500000000 ]  - [  -0.0001105100000000,  0.0000570300000000,  0.0000860800000000 ]  - [  -0.0001090400000000, -0.0001487200000000,  0.0000783500000000 ]  - [  -0.0001105100000000,  0.0000570300000000, -0.0000860800000000 ]  - [   0.0007843900000000, -0.0005351600000000,  0.0000000000000000 ]  - [   0.0000157100000000,  0.0028459100000000,  0.0000000000000000 ]  - [   0.0004639200000000, -0.0000850000000000,  0.0000000000000000 ]  - [  -0.0002297100000000,  0.0000856700000000,  0.0000000000000000 ]  - [  -0.0001597700000000, -0.0002466700000000,  0.0000000000000000 ]  - [   0.0004877400000000,  0.0000765900000000,  0.0000000000000000 ]  - [  -0.0000534600000000, -0.0001668800000000,  0.0000000000000000 ]  - [   0.0003542700000000,  0.0000945700000000,  0.0000000000000000 ]  - [  -0.0010005100000000, -0.0000664200000000,  0.0000499100000000 ]  - [   0.0003947900000000,  0.0000950400000000,  0.0000016300000000 ]  - [  -0.0010005100000000, -0.0000664200000000, -0.0000499100000000 ]  - [   0.0003947900000000,  0.0000950400000000, -0.0000016300000000 ]  - [   0.0004162300000000,  0.0001063800000000, -0.0001151800000000 ]  - [  -0.0007196300000000, -0.0002078100000000,  0.0002777500000000 ]  - [   0.0005952000000000,  0.0000285000000000, -0.0000178200000000 ]  - [  -0.0009379100000000, -0.0004759600000000, -0.0000333700000000 ]  - [   0.0005952000000000,  0.0000285000000000,  0.0000178200000000 ]  - [  -0.0009379100000000, -0.0004759600000000,  0.0000333700000000 ]  - [   0.0004162300000000,  0.0001063800000000,  0.0001151800000000 ]  - [  -0.0007196300000000, -0.0002078100000000, -0.0002777500000000 ]  - [   0.0063236700000000, -0.0077188100000000, -0.0068252800000000 ]  - [   0.0021422800000000,  0.0012781600000000,  0.0013234800000000 ]  - [   0.0002095200000000, -0.0002373300000000,  0.0007144800000000 ]  - [   0.0004129800000000,  0.0000369200000000, -0.0003772400000000 ]  - [   0.0002095200000000, -0.0002373300000000, -0.0007144800000000 ]  - [   0.0004129800000000,  0.0000369200000000,  0.0003772400000000 ]  - [   0.0063236700000000, -0.0077188100000000,  0.0068252800000000 ]  - [   0.0021422800000000,  0.0012781600000000, -0.0013234800000000 ]- atom:   33  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0043350800000000, -0.0016274600000000,  0.0000000000000000 ]  - [  -0.0028090800000000,  0.0004563900000000,  0.0000000000000000 ]  - [   0.0005346100000000,  0.0002350400000000,  0.0000000000000000 ]  - [   0.0002620700000000,  0.0002553200000000,  0.0000000000000000 ]  - [   0.0005071900000000,  0.0002958300000000, -0.0003342400000000 ]  - [  -0.0006522100000000, -0.0013520800000000,  0.0008058100000000 ]  - [   0.0005071900000000,  0.0002958300000000,  0.0003342400000000 ]  - [  -0.0006522100000000, -0.0013520800000000, -0.0008058100000000 ]  - [  -0.0025848200000000, -0.0016162500000000,  0.0000000000000000 ]  - [   0.0013417600000000, -0.0003211100000000,  0.0000000000000000 ]  - [  -0.0005661600000000,  0.0001380600000000,  0.0000000000000000 ]  - [   0.0006428500000000, -0.0002626500000000,  0.0000000000000000 ]  - [  -0.0025659000000000,  0.0000802800000000, -0.0017202700000000 ]  - [   0.0010550700000000,  0.0000394400000000,  0.0005795500000000 ]  - [  -0.0025659000000000,  0.0000802800000000,  0.0017202700000000 ]  - [   0.0010550700000000,  0.0000394400000000, -0.0005795500000000 ]  - [  -0.0006027900000000, -0.0000763300000000,  0.0000135100000000 ]  - [   0.0006992000000000,  0.0002744000000000,  0.0000037800000000 ]  - [  -0.0006027900000000, -0.0000763300000000, -0.0000135100000000 ]  - [   0.0006992000000000,  0.0002744000000000, -0.0000037800000000 ]  - [  -0.0036224100000000,  0.0002580100000000,  0.0000000000000000 ]  - [   0.0015447200000000,  0.0007275400000000,  0.0000000000000000 ]  - [  -0.0006654600000000, -0.0006046500000000,  0.0000000000000000 ]  - [   0.0004617600000000,  0.0001243200000000,  0.0000000000000000 ]  - [   0.0008323100000000, -0.0008653800000000, -0.0010046200000000 ]  - [   0.0003775000000000,  0.0006935500000000,  0.0010134500000000 ]  - [   0.0008323100000000, -0.0008653800000000,  0.0010046200000000 ]  - [   0.0003775000000000,  0.0006935500000000, -0.0010134500000000 ]  - [   0.0003792200000000,  0.0001780800000000,  0.0000000000000000 ]  - [  -0.0007637200000000,  0.0002986900000000,  0.0000000000000000 ]  - [   0.0000803100000000,  0.0000817000000000,  0.0000000000000000 ]  - [  -0.0004198900000000,  0.0000414000000000,  0.0000000000000000 ]  - [   0.0304424300000000, -0.0063880000000000,  0.0000000000000000 ]  - [  -0.0014088000000000,  0.0000321700000000,  0.0000000000000000 ]  - [   0.0005635600000000, -0.0001746600000000,  0.0000000000000000 ]  - [  -0.0005743400000000,  0.0000700400000000,  0.0000000000000000 ]  - [   0.0006422600000000, -0.0014559700000000,  0.0014917200000000 ]  - [  -0.0003959200000000,  0.0002779500000000, -0.0002106600000000 ]  - [   0.0006422600000000, -0.0014559700000000, -0.0014917200000000 ]  - [  -0.0003959200000000,  0.0002779500000000,  0.0002106600000000 ]  - [  -0.0006644600000000, -0.0001253800000000,  0.0005034600000000 ]  - [  -0.0009510600000000, -0.0000913300000000, -0.0058555400000000 ]  - [  -0.0006644600000000, -0.0001253800000000, -0.0005034600000000 ]  - [  -0.0009510600000000, -0.0000913300000000,  0.0058555400000000 ]  - [  -0.0031313200000000, -0.0032223200000000,  0.0000000000000000 ]  - [  -0.0031102400000000,  0.0032142800000000,  0.0000000000000000 ]  - [  -0.0002305400000000, -0.0001662600000000,  0.0000000000000000 ]  - [  -0.0002317200000000,  0.0001753700000000,  0.0000000000000000 ]  - [  -0.0001692900000000,  0.0001212100000000,  0.0000771500000000 ]  - [  -0.0001702900000000, -0.0000767400000000, -0.0000850100000000 ]  - [  -0.0001692900000000,  0.0001212100000000, -0.0000771500000000 ]  - [  -0.0001702900000000, -0.0000767400000000,  0.0000850100000000 ]  - [  -0.0004997300000000,  0.0005661000000000,  0.0000000000000000 ]  - [   0.0002511400000000, -0.0028037500000000,  0.0000000000000000 ]  - [  -0.0001835100000000,  0.0001076100000000,  0.0000000000000000 ]  - [   0.0005054900000000, -0.0000539300000000,  0.0000000000000000 ]  - [   0.0004397500000000,  0.0002208700000000,  0.0000000000000000 ]  - [  -0.0002114100000000, -0.0000985800000000,  0.0000000000000000 ]  - [   0.0003354900000000,  0.0001363000000000,  0.0000000000000000 ]  - [  -0.0000776300000000, -0.0001183900000000,  0.0000000000000000 ]  - [   0.0007168900000000,  0.0000875900000000, -0.0000537900000000 ]  - [  -0.0006706700000000, -0.0000727400000000, -0.0000002000000000 ]  - [   0.0007168900000000,  0.0000875900000000,  0.0000537900000000 ]  - [  -0.0006706700000000, -0.0000727400000000,  0.0000002000000000 ]  - [  -0.0004142400000000, -0.0001110500000000,  0.0001181300000000 ]  - [   0.0007142800000000,  0.0002090700000000, -0.0002809700000000 ]  - [  -0.0005959900000000, -0.0000295000000000,  0.0000137900000000 ]  - [   0.0009233000000000,  0.0004843800000000,  0.0000441800000000 ]  - [  -0.0005959900000000, -0.0000295000000000, -0.0000137900000000 ]  - [   0.0009233000000000,  0.0004843800000000, -0.0000441800000000 ]  - [  -0.0004142400000000, -0.0001110500000000, -0.0001181300000000 ]  - [   0.0007142800000000,  0.0002090700000000,  0.0002809700000000 ]  - [  -0.0063918700000000,  0.0078353100000000,  0.0069314600000000 ]  - [  -0.0021238700000000, -0.0012662100000000, -0.0013201200000000 ]  - [  -0.0002008600000000,  0.0002282500000000, -0.0007154800000000 ]  - [  -0.0004133100000000, -0.0000341700000000,  0.0003746900000000 ]  - [  -0.0002008600000000,  0.0002282500000000,  0.0007154800000000 ]  - [  -0.0004133100000000, -0.0000341700000000, -0.0003746900000000 ]  - [  -0.0063918700000000,  0.0078353100000000, -0.0069314600000000 ]  - [  -0.0021238700000000, -0.0012662100000000,  0.0013201200000000 ]- atom:   33  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0017293300000000,  0.0026387500000000,  0.0000000000000000 ]  - [   0.0005380300000000,  0.0030371700000000,  0.0000000000000000 ]  - [   0.0004515000000000,  0.0005073000000000,  0.0000000000000000 ]  - [   0.0002277000000000,  0.0005515600000000,  0.0000000000000000 ]  - [  -0.0006211200000000, -0.0001314200000000,  0.0002681100000000 ]  - [   0.0007536900000000, -0.0007358200000000,  0.0015820900000000 ]  - [  -0.0006211200000000, -0.0001314200000000, -0.0002681100000000 ]  - [   0.0007536900000000, -0.0007358200000000, -0.0015820900000000 ]  - [   0.0017046900000000,  0.0096742900000000,  0.0000000000000000 ]  - [   0.0004969800000000, -0.0000984900000000,  0.0000000000000000 ]  - [  -0.0000108600000000,  0.0000292200000000,  0.0000000000000000 ]  - [   0.0002642200000000, -0.0000546700000000,  0.0000000000000000 ]  - [  -0.0001191700000000,  0.0030038800000000, -0.0013786300000000 ]  - [  -0.0002475700000000,  0.0005040000000000, -0.0001836000000000 ]  - [  -0.0001191700000000,  0.0030038800000000,  0.0013786300000000 ]  - [  -0.0002475700000000,  0.0005040000000000,  0.0001836000000000 ]  - [  -0.0002503700000000, -0.0014267000000000,  0.0007763800000000 ]  - [   0.0002006000000000, -0.0001832000000000,  0.0000625600000000 ]  - [  -0.0002503700000000, -0.0014267000000000, -0.0007763800000000 ]  - [   0.0002006000000000, -0.0001832000000000, -0.0000625600000000 ]  - [   0.0005373000000000,  0.0028234100000000,  0.0000000000000000 ]  - [  -0.0002073200000000, -0.0002535500000000,  0.0000000000000000 ]  - [  -0.0002576600000000, -0.0003851000000000,  0.0000000000000000 ]  - [  -0.0001748700000000, -0.0002219600000000,  0.0000000000000000 ]  - [   0.0008740600000000, -0.0004733300000000, -0.0009978000000000 ]  - [  -0.0006064900000000, -0.0003147200000000, -0.0006873200000000 ]  - [   0.0008740600000000, -0.0004733300000000,  0.0009978000000000 ]  - [  -0.0006064900000000, -0.0003147200000000,  0.0006873200000000 ]  - [  -0.0002759800000000, -0.0005803900000000,  0.0000000000000000 ]  - [   0.0010418900000000, -0.0023614600000000,  0.0000000000000000 ]  - [  -0.0001383100000000, -0.0001820400000000,  0.0000000000000000 ]  - [   0.0000575300000000, -0.0005002100000000,  0.0000000000000000 ]  - [   0.0062493500000000, -0.0342590400000000,  0.0000000000000000 ]  - [  -0.0001833200000000, -0.0003716600000000,  0.0000000000000000 ]  - [   0.0000226400000000, -0.0005262600000000,  0.0000000000000000 ]  - [  -0.0002257500000000, -0.0002467500000000,  0.0000000000000000 ]  - [   0.0016061500000000,  0.0006597700000000, -0.0027150800000000 ]  - [  -0.0001237700000000, -0.0002335600000000, -0.0000779000000000 ]  - [   0.0016061500000000,  0.0006597700000000,  0.0027150800000000 ]  - [  -0.0001237700000000, -0.0002335600000000,  0.0000779000000000 ]  - [   0.0000262700000000, -0.0005018200000000,  0.0000351100000000 ]  - [   0.0000517200000000, -0.0030198200000000, -0.0001786800000000 ]  - [   0.0000262700000000, -0.0005018200000000, -0.0000351100000000 ]  - [   0.0000517200000000, -0.0030198200000000,  0.0001786800000000 ]  - [   0.0030705100000000,  0.0007657200000000,  0.0000000000000000 ]  - [  -0.0033508400000000,  0.0007703700000000,  0.0000000000000000 ]  - [   0.0000275100000000, -0.0002935000000000,  0.0000000000000000 ]  - [  -0.0003186300000000, -0.0002946700000000,  0.0000000000000000 ]  - [  -0.0000745300000000,  0.0005789800000000,  0.0000274700000000 ]  - [  -0.0002727800000000,  0.0005813300000000, -0.0000097100000000 ]  - [  -0.0000745300000000,  0.0005789800000000, -0.0000274700000000 ]  - [  -0.0002727800000000,  0.0005813300000000,  0.0000097100000000 ]  - [  -0.0004122700000000,  0.0004740500000000,  0.0000000000000000 ]  - [   0.0029818100000000,  0.0046912600000000,  0.0000000000000000 ]  - [   0.0000436600000000,  0.0002516900000000,  0.0000000000000000 ]  - [   0.0002125300000000,  0.0003270400000000,  0.0000000000000000 ]  - [   0.0003696000000000,  0.0018583700000000,  0.0000000000000000 ]  - [   0.0000557100000000,  0.0003979300000000,  0.0000000000000000 ]  - [   0.0002885500000000,  0.0004294600000000,  0.0000000000000000 ]  - [   0.0000321000000000,  0.0002454000000000,  0.0000000000000000 ]  - [  -0.0000635000000000,  0.0016444500000000,  0.0014678700000000 ]  - [  -0.0002244300000000,  0.0002310700000000,  0.0000313900000000 ]  - [  -0.0000635000000000,  0.0016444500000000, -0.0014678700000000 ]  - [  -0.0002244300000000,  0.0002310700000000, -0.0000313900000000 ]  - [   0.0000253500000000,  0.0001483000000000, -0.0001162700000000 ]  - [   0.0002655400000000,  0.0004248600000000, -0.0005780100000000 ]  - [   0.0000658400000000,  0.0001952900000000,  0.0000818400000000 ]  - [  -0.0013301300000000,  0.0031922900000000,  0.0017953700000000 ]  - [   0.0000658400000000,  0.0001952900000000, -0.0000818400000000 ]  - [  -0.0013301300000000,  0.0031922900000000, -0.0017953700000000 ]  - [   0.0000253500000000,  0.0001483000000000,  0.0001162700000000 ]  - [   0.0002655400000000,  0.0004248600000000,  0.0005780100000000 ]  - [  -0.0080225600000000,  0.0016211200000000,  0.0056230700000000 ]  - [   0.0006307900000000, -0.0000124300000000,  0.0002294700000000 ]  - [  -0.0000415200000000,  0.0000860700000000, -0.0005250800000000 ]  - [   0.0000742500000000, -0.0002602200000000, -0.0002423400000000 ]  - [  -0.0000415200000000,  0.0000860700000000,  0.0005250800000000 ]  - [   0.0000742500000000, -0.0002602200000000,  0.0002423400000000 ]  - [  -0.0080225600000000,  0.0016211200000000, -0.0056230700000000 ]  - [   0.0006307900000000, -0.0000124300000000, -0.0002294700000000 ]- atom:   33  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0014254900000000, -0.0023669000000000,  0.0000000000000000 ]  - [  -0.0001633600000000, -0.0027660100000000,  0.0000000000000000 ]  - [  -0.0001330800000000, -0.0002403700000000,  0.0000000000000000 ]  - [   0.0000991400000000, -0.0002857200000000,  0.0000000000000000 ]  - [   0.0003032700000000, -0.0001357200000000, -0.0002662700000000 ]  - [  -0.0010841000000000,  0.0004654100000000, -0.0015964000000000 ]  - [   0.0003032700000000, -0.0001357200000000,  0.0002662700000000 ]  - [  -0.0010841000000000,  0.0004654100000000,  0.0015964000000000 ]  - [  -0.0014549100000000, -0.0106809100000000,  0.0000000000000000 ]  - [  -0.0001773900000000, -0.0001661700000000,  0.0000000000000000 ]  - [   0.0003323500000000, -0.0002970000000000,  0.0000000000000000 ]  - [   0.0000605000000000, -0.0002156000000000,  0.0000000000000000 ]  - [  -0.0002169500000000, -0.0027232700000000,  0.0014008100000000 ]  - [  -0.0000693300000000, -0.0002370800000000,  0.0001869600000000 ]  - [  -0.0002169500000000, -0.0027232700000000, -0.0014008100000000 ]  - [  -0.0000693300000000, -0.0002370800000000, -0.0001869600000000 ]  - [   0.0005800900000000,  0.0016969100000000, -0.0007784600000000 ]  - [   0.0001184300000000,  0.0004486100000000, -0.0000600900000000 ]  - [   0.0005800900000000,  0.0016969100000000,  0.0007784600000000 ]  - [   0.0001184300000000,  0.0004486100000000,  0.0000600900000000 ]  - [  -0.0010033700000000, -0.0027488700000000,  0.0000000000000000 ]  - [  -0.0001007300000000, -0.0000003300000000,  0.0000000000000000 ]  - [  -0.0000688800000000,  0.0001222500000000,  0.0000000000000000 ]  - [  -0.0001436700000000, -0.0000434100000000,  0.0000000000000000 ]  - [  -0.0005547500000000,  0.0002128100000000,  0.0009994500000000 ]  - [   0.0009210700000000,  0.0000579300000000,  0.0006853800000000 ]  - [  -0.0005547500000000,  0.0002128100000000, -0.0009994500000000 ]  - [   0.0009210700000000,  0.0000579300000000, -0.0006853800000000 ]  - [  -0.0000408900000000,  0.0008493700000000,  0.0000000000000000 ]  - [  -0.0013672100000000,  0.0026315600000000,  0.0000000000000000 ]  - [  -0.0001808900000000,  0.0004504700000000,  0.0000000000000000 ]  - [  -0.0003783900000000,  0.0007719600000000,  0.0000000000000000 ]  - [  -0.0061269600000000,  0.0345952100000000,  0.0000000000000000 ]  - [  -0.0000989000000000,  0.0003493600000000,  0.0000000000000000 ]  - [  -0.0003027500000000,  0.0005068300000000,  0.0000000000000000 ]  - [  -0.0000558800000000,  0.0002204400000000,  0.0000000000000000 ]  - [  -0.0013369600000000, -0.0006275300000000,  0.0027342000000000 ]  - [   0.0004045700000000,  0.0002676900000000,  0.0000792500000000 ]  - [  -0.0013369600000000, -0.0006275300000000, -0.0027342000000000 ]  - [   0.0004045700000000,  0.0002676900000000, -0.0000792500000000 ]  - [   0.0002518900000000,  0.0004795200000000, -0.0000364200000000 ]  - [   0.0002039400000000,  0.0029963500000000,  0.0001349000000000 ]  - [   0.0002518900000000,  0.0004795200000000,  0.0000364200000000 ]  - [   0.0002039400000000,  0.0029963500000000, -0.0001349000000000 ]  - [  -0.0033738700000000, -0.0007372900000000,  0.0000000000000000 ]  - [   0.0030891600000000, -0.0007297000000000,  0.0000000000000000 ]  - [  -0.0003086300000000,  0.0003211700000000,  0.0000000000000000 ]  - [   0.0000398600000000,  0.0003173900000000,  0.0000000000000000 ]  - [  -0.0002083300000000, -0.0006089800000000, -0.0000288800000000 ]  - [  -0.0000049700000000, -0.0006041100000000,  0.0000129300000000 ]  - [  -0.0002083300000000, -0.0006089800000000,  0.0000288800000000 ]  - [  -0.0000049700000000, -0.0006041100000000, -0.0000129300000000 ]  - [   0.0006952300000000, -0.0004453500000000,  0.0000000000000000 ]  - [  -0.0026679800000000, -0.0046335600000000,  0.0000000000000000 ]  - [   0.0002351300000000, -0.0002297100000000,  0.0000000000000000 ]  - [   0.0000667700000000, -0.0002966400000000,  0.0000000000000000 ]  - [  -0.0000999700000000, -0.0018899100000000,  0.0000000000000000 ]  - [   0.0002248900000000, -0.0004223800000000,  0.0000000000000000 ]  - [  -0.0000090000000000, -0.0004591100000000,  0.0000000000000000 ]  - [   0.0002454200000000, -0.0002713400000000,  0.0000000000000000 ]  - [  -0.0002200900000000, -0.0016148200000000, -0.0014562600000000 ]  - [  -0.0000537900000000, -0.0002118200000000, -0.0000312500000000 ]  - [  -0.0002200900000000, -0.0016148200000000,  0.0014562600000000 ]  - [  -0.0000537900000000, -0.0002118200000000,  0.0000312500000000 ]  - [  -0.0000247700000000, -0.0001523200000000,  0.0001179500000000 ]  - [  -0.0002696200000000, -0.0004249500000000,  0.0005793900000000 ]  - [  -0.0000687000000000, -0.0001949700000000, -0.0000834900000000 ]  - [   0.0013336800000000, -0.0032247200000000, -0.0018071600000000 ]  - [  -0.0000687000000000, -0.0001949700000000,  0.0000834900000000 ]  - [   0.0013336800000000, -0.0032247200000000,  0.0018071600000000 ]  - [  -0.0000247700000000, -0.0001523200000000, -0.0001179500000000 ]  - [  -0.0002696200000000, -0.0004249500000000, -0.0005793900000000 ]  - [   0.0079594500000000, -0.0016394200000000, -0.0055781200000000 ]  - [  -0.0006368600000000,  0.0000050400000000, -0.0002389200000000 ]  - [   0.0000458000000000, -0.0000947700000000,  0.0005271800000000 ]  - [  -0.0000761000000000,  0.0002593600000000,  0.0002424600000000 ]  - [   0.0000458000000000, -0.0000947700000000, -0.0005271800000000 ]  - [  -0.0000761000000000,  0.0002593600000000, -0.0002424600000000 ]  - [   0.0079594500000000, -0.0016394200000000,  0.0055781200000000 ]  - [  -0.0006368600000000,  0.0000050400000000,  0.0002389200000000 ]- atom:   33  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0001441600000000,  0.0001228200000000,  0.0024437900000000 ]  - [   0.0001523300000000,  0.0001280300000000,  0.0025656800000000 ]  - [   0.0001413500000000,  0.0001182500000000, -0.0015073800000000 ]  - [   0.0001453800000000,  0.0001195700000000, -0.0013846800000000 ]  - [   0.0003585000000000,  0.0001323800000000, -0.0000074100000000 ]  - [  -0.0005745000000000,  0.0014566700000000, -0.0004984900000000 ]  - [  -0.0006516200000000, -0.0003806000000000, -0.0000138300000000 ]  - [   0.0002761700000000, -0.0016964300000000, -0.0005028200000000 ]  - [   0.0001495000000000, -0.0001029700000000,  0.0019807900000000 ]  - [   0.0001476300000000, -0.0001214400000000,  0.0002757200000000 ]  - [   0.0001450800000000, -0.0001197500000000, -0.0011395100000000 ]  - [   0.0001500700000000, -0.0001247600000000, -0.0002813100000000 ]  - [   0.0018024500000000, -0.0010888100000000, -0.0012569700000000 ]  - [  -0.0002890200000000,  0.0000795200000000,  0.0000343200000000 ]  - [  -0.0021545000000000,  0.0013720600000000, -0.0014089100000000 ]  - [  -0.0000116600000000,  0.0001738100000000,  0.0000303900000000 ]  - [   0.0001588300000000,  0.0002571400000000,  0.0000069700000000 ]  - [   0.0001325300000000,  0.0001427100000000,  0.0000033500000000 ]  - [   0.0001349300000000, -0.0000168600000000,  0.0000033600000000 ]  - [   0.0001625700000000,  0.0001020100000000, -0.0000018000000000 ]  - [  -0.0001429600000000, -0.0001400800000000,  0.0031311700000000 ]  - [  -0.0001397300000000, -0.0001193300000000,  0.0003889300000000 ]  - [  -0.0001467000000000, -0.0001209500000000, -0.0017041700000000 ]  - [  -0.0001463300000000, -0.0001240500000000, -0.0004473900000000 ]  - [   0.0011248400000000, -0.0009729900000000, -0.0001251700000000 ]  - [  -0.0007774400000000, -0.0005380800000000, -0.0001690400000000 ]  - [  -0.0008241700000000,  0.0007222300000000, -0.0001187400000000 ]  - [   0.0010604700000000,  0.0002953500000000, -0.0001735500000000 ]  - [  -0.0001476200000000,  0.0001234400000000,  0.0002918500000000 ]  - [  -0.0001480100000000,  0.0001245200000000,  0.0006671500000000 ]  - [  -0.0001441300000000,  0.0001206200000000, -0.0002951800000000 ]  - [  -0.0001530100000000,  0.0001300000000000, -0.0007011600000000 ]  - [  -0.0001133500000000, -0.0000785700000000, -0.0221810800000000 ]  - [  -0.0001394800000000, -0.0000124100000000, -0.0001799900000000 ]  - [  -0.0001406400000000, -0.0000119500000000,  0.0015187300000000 ]  - [  -0.0001397000000000, -0.0000142700000000,  0.0001861100000000 ]  - [  -0.0013606600000000, -0.0027229300000000,  0.0020148200000000 ]  - [   0.0003530700000000, -0.0000626100000000,  0.0000013500000000 ]  - [   0.0016249800000000,  0.0027248500000000,  0.0020059600000000 ]  - [  -0.0000739200000000,  0.0000931000000000,  0.0000013600000000 ]  - [  -0.0003661300000000, -0.0000474400000000,  0.0000515200000000 ]  - [   0.0060743600000000,  0.0001427400000000,  0.0068760800000000 ]  - [   0.0006409800000000,  0.0000213300000000,  0.0000529500000000 ]  - [  -0.0056886400000000, -0.0001719500000000,  0.0067724400000000 ]  - [  -0.0001338700000000,  0.0000158900000000, -0.0011309600000000 ]  - [  -0.0001494500000000,  0.0000211300000000, -0.0011306100000000 ]  - [  -0.0001398200000000,  0.0000126500000000,  0.0005247200000000 ]  - [  -0.0001379900000000,  0.0000092900000000,  0.0005246400000000 ]  - [  -0.0002256800000000, -0.0000043200000000, -0.0000017000000000 ]  - [  -0.0000614100000000, -0.0000385100000000, -0.0000015800000000 ]  - [  -0.0000543800000000, -0.0000234900000000, -0.0000006800000000 ]  - [  -0.0002164600000000,  0.0000163000000000, -0.0000009500000000 ]  - [   0.0001397600000000,  0.0000141900000000, -0.0003003600000000 ]  - [   0.0001365900000000,  0.0000043700000000, -0.0011558200000000 ]  - [   0.0001398500000000,  0.0000122300000000,  0.0002661800000000 ]  - [   0.0001401200000000,  0.0000172100000000,  0.0004326600000000 ]  - [   0.0001392800000000, -0.0000130800000000, -0.0002967000000000 ]  - [   0.0001378500000000, -0.0000137100000000, -0.0001558600000000 ]  - [   0.0001396400000000, -0.0000139500000000,  0.0002822300000000 ]  - [   0.0001381500000000, -0.0000121200000000,  0.0001608900000000 ]  - [  -0.0001912200000000,  0.0014786900000000,  0.0005672300000000 ]  - [  -0.0001384700000000,  0.0000431100000000, -0.0000028800000000 ]  - [  -0.0000885500000000, -0.0014451400000000,  0.0005671300000000 ]  - [  -0.0001390600000000, -0.0000204400000000, -0.0000018900000000 ]  - [  -0.0000657700000000, -0.0000712800000000,  0.0002763100000000 ]  - [  -0.0002230500000000, -0.0003128900000000,  0.0008338300000000 ]  - [   0.0000651700000000,  0.0000713400000000, -0.0002736000000000 ]  - [   0.0000962200000000,  0.0007994200000000, -0.0007742200000000 ]  - [  -0.0000662300000000, -0.0000704300000000, -0.0002773200000000 ]  - [  -0.0001013200000000, -0.0007938000000000, -0.0007878700000000 ]  - [   0.0000664500000000,  0.0000680200000000,  0.0002782300000000 ]  - [   0.0002236300000000,  0.0003108100000000,  0.0008343800000000 ]  - [  -0.0065701500000000,  0.0051703700000000, -0.0002052600000000 ]  - [   0.0004262600000000, -0.0000613300000000, -0.0005719000000000 ]  - [   0.0010141300000000, -0.0010066700000000,  0.0019394700000000 ]  - [  -0.0002462400000000,  0.0000968800000000,  0.0005872100000000 ]  - [  -0.0010092400000000,  0.0009998700000000,  0.0019458500000000 ]  - [   0.0002481100000000, -0.0000932100000000,  0.0005866300000000 ]  - [   0.0065323700000000, -0.0051412100000000, -0.0001825700000000 ]  - [  -0.0004315100000000,  0.0000599100000000, -0.0005610900000000 ]- atom:   65  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0002353700000000, -0.0003233300000000,  0.0004656100000000 ]  - [  -0.0002745700000000,  0.0000501100000000, -0.0000928600000000 ]  - [   0.0006308900000000, -0.0004165600000000, -0.0004404600000000 ]  - [  -0.0004726200000000,  0.0005480300000000,  0.0000939200000000 ]  - [   0.0199045700000000,  0.0114969200000000, -0.0102611400000000 ]  - [  -0.0022416500000000, -0.0003017200000000, -0.0002756200000000 ]  - [   0.0021243600000000, -0.0012693500000000, -0.0004750300000000 ]  - [  -0.0011848700000000, -0.0003608600000000,  0.0002090400000000 ]  - [  -0.0008419400000000,  0.0000790200000000,  0.0002183500000000 ]  - [   0.0024503900000000,  0.0009966900000000, -0.0004646700000000 ]  - [  -0.0019070800000000,  0.0000191400000000, -0.0002734200000000 ]  - [   0.0199921300000000, -0.0112947700000000, -0.0096059700000000 ]  - [  -0.0008140100000000, -0.0002668600000000,  0.0000909600000000 ]  - [   0.0002861400000000,  0.0006935500000000, -0.0004447500000000 ]  - [  -0.0006166200000000,  0.0002322900000000, -0.0000989500000000 ]  - [  -0.0001081400000000,  0.0006081900000000,  0.0004612300000000 ]  - [  -0.0019070800000000, -0.0000191400000000,  0.0002734200000000 ]  - [   0.0199921300000000,  0.0112947700000000,  0.0096059700000000 ]  - [  -0.0008419400000000, -0.0000790200000000, -0.0002183500000000 ]  - [   0.0024503900000000, -0.0009966900000000,  0.0004646700000000 ]  - [  -0.0006166200000000, -0.0002322900000000,  0.0000989500000000 ]  - [  -0.0001081400000000, -0.0006081900000000, -0.0004612300000000 ]  - [  -0.0008140100000000,  0.0002668600000000, -0.0000909600000000 ]  - [   0.0002861400000000, -0.0006935500000000,  0.0004447500000000 ]  - [   0.0006308900000000,  0.0004165600000000,  0.0004404600000000 ]  - [  -0.0004726200000000, -0.0005480300000000, -0.0000939200000000 ]  - [   0.0002353700000000,  0.0003233300000000, -0.0004656100000000 ]  - [  -0.0002745700000000, -0.0000501100000000,  0.0000928600000000 ]  - [   0.0021243600000000,  0.0012693500000000,  0.0004750300000000 ]  - [  -0.0011848700000000,  0.0003608600000000, -0.0002090400000000 ]  - [   0.0199045700000000, -0.0114969200000000,  0.0102611400000000 ]  - [  -0.0022416500000000,  0.0003017200000000,  0.0002756200000000 ]  - [   0.0002733900000000,  0.0000126300000000, -0.0000664800000000 ]  - [  -0.0008578900000000,  0.0002529700000000, -0.0002236600000000 ]  - [   0.0004528600000000,  0.0000544200000000,  0.0000661000000000 ]  - [  -0.0010720600000000, -0.0013467200000000,  0.0000994900000000 ]  - [   0.0022736900000000,  0.0006510700000000, -0.0004325600000000 ]  - [   0.0064512800000000, -0.0079142000000000,  0.0065001700000000 ]  - [   0.0005497900000000,  0.0000876800000000,  0.0002486400000000 ]  - [   0.0003427800000000, -0.0000300700000000, -0.0010113600000000 ]  - [  -0.0007949400000000,  0.0013198800000000,  0.0000982900000000 ]  - [   0.0007323000000000, -0.0000799100000000,  0.0000654500000000 ]  - [  -0.0005797900000000, -0.0002791100000000, -0.0002234900000000 ]  - [   0.0005531600000000, -0.0000379000000000, -0.0000653800000000 ]  - [   0.0000622900000000,  0.0000574000000000, -0.0010121400000000 ]  - [   0.0002699700000000, -0.0000603600000000,  0.0002461300000000 ]  - [   0.0062587600000000,  0.0080671500000000,  0.0066034700000000 ]  - [   0.0019872300000000, -0.0006178500000000, -0.0004256600000000 ]  - [   0.0062587600000000, -0.0080671500000000, -0.0066034700000000 ]  - [   0.0019872300000000,  0.0006178500000000,  0.0004256600000000 ]  - [   0.0000622900000000, -0.0000574000000000,  0.0010121400000000 ]  - [   0.0002699700000000,  0.0000603600000000, -0.0002461300000000 ]  - [  -0.0005797900000000,  0.0002791100000000,  0.0002234900000000 ]  - [   0.0005531600000000,  0.0000379000000000,  0.0000653800000000 ]  - [  -0.0007949400000000, -0.0013198800000000, -0.0000982900000000 ]  - [   0.0007323000000000,  0.0000799100000000, -0.0000654500000000 ]  - [   0.0005497900000000, -0.0000876800000000, -0.0002486400000000 ]  - [   0.0003427800000000,  0.0000300700000000,  0.0010113600000000 ]  - [   0.0022736900000000, -0.0006510700000000,  0.0004325600000000 ]  - [   0.0064512800000000,  0.0079142000000000, -0.0065001700000000 ]  - [   0.0004528600000000, -0.0000544200000000, -0.0000661000000000 ]  - [  -0.0010720600000000,  0.0013467200000000, -0.0000994900000000 ]  - [   0.0002733900000000, -0.0000126300000000,  0.0000664800000000 ]  - [  -0.0008578900000000, -0.0002529700000000,  0.0002236600000000 ]  - [  -0.0908758500000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0016028400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0010587800000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0006973900000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0114640700000000, -0.0078988400000000,  0.0000453700000000 ]  - [   0.0011027100000000,  0.0002515100000000, -0.0000023100000000 ]  - [  -0.0114640700000000,  0.0078988400000000, -0.0000453700000000 ]  - [   0.0011027100000000, -0.0002515100000000,  0.0000023100000000 ]  - [   0.0002778900000000,  0.0001193000000000, -0.0003010000000000 ]  - [   0.0002791500000000,  0.0001200000000000,  0.0002981100000000 ]  - [   0.0002778900000000, -0.0001193000000000,  0.0003010000000000 ]  - [   0.0002791500000000, -0.0001200000000000, -0.0002981100000000 ]  - [   0.0002963800000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0002981800000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0002587600000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0002593600000000,  0.0000000000000000,  0.0000000000000000 ]- atom:   65  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0001073300000000, -0.0007515300000000,  0.0003673000000000 ]  - [   0.0001230100000000, -0.0001573500000000, -0.0000181000000000 ]  - [  -0.0006371200000000, -0.0014741100000000, -0.0004537000000000 ]  - [   0.0001727900000000, -0.0007923200000000,  0.0000188900000000 ]  - [   0.0106666400000000,  0.0165198500000000, -0.0081703900000000 ]  - [   0.0000108800000000,  0.0006272500000000,  0.0002423000000000 ]  - [  -0.0011468300000000,  0.0018746000000000,  0.0001094400000000 ]  - [   0.0004037400000000,  0.0002855100000000, -0.0002487500000000 ]  - [  -0.0004037400000000,  0.0002855100000000,  0.0002487500000000 ]  - [   0.0011468300000000,  0.0018746000000000, -0.0001094400000000 ]  - [  -0.0000108800000000,  0.0006272500000000, -0.0002423000000000 ]  - [  -0.0106666400000000,  0.0165198500000000,  0.0081703900000000 ]  - [  -0.0001727900000000, -0.0007923200000000, -0.0000188900000000 ]  - [   0.0006371200000000, -0.0014741100000000,  0.0004537000000000 ]  - [  -0.0001230100000000, -0.0001573500000000,  0.0000181000000000 ]  - [   0.0001073300000000, -0.0007515300000000, -0.0003673000000000 ]  - [   0.0003301500000000,  0.0008905700000000, -0.0002445600000000 ]  - [   0.0106268200000000,  0.0166999000000000,  0.0077332300000000 ]  - [   0.0007244400000000,  0.0005492600000000,  0.0002472400000000 ]  - [  -0.0008301500000000,  0.0021332500000000, -0.0001151400000000 ]  - [  -0.0002016000000000, -0.0004245300000000,  0.0000205700000000 ]  - [  -0.0004317100000000, -0.0010206600000000, -0.0003647400000000 ]  - [  -0.0001525000000000, -0.0010608900000000, -0.0000187700000000 ]  - [  -0.0009569800000000, -0.0017372800000000,  0.0004514200000000 ]  - [   0.0009569800000000, -0.0017372800000000, -0.0004514200000000 ]  - [   0.0001525000000000, -0.0010608900000000,  0.0000187700000000 ]  - [   0.0004317100000000, -0.0010206600000000,  0.0003647400000000 ]  - [   0.0002016000000000, -0.0004245300000000, -0.0000205700000000 ]  - [   0.0008301500000000,  0.0021332500000000,  0.0001151400000000 ]  - [  -0.0007244400000000,  0.0005492600000000, -0.0002472400000000 ]  - [  -0.0106268200000000,  0.0166999000000000, -0.0077332300000000 ]  - [  -0.0003301500000000,  0.0008905700000000,  0.0002445600000000 ]  - [  -0.0000304100000000,  0.0001358200000000, -0.0000702500000000 ]  - [  -0.0003483900000000,  0.0004112600000000, -0.0003125800000000 ]  - [  -0.0001097600000000,  0.0001822300000000,  0.0000715400000000 ]  - [  -0.0006232800000000,  0.0032011900000000,  0.0008020000000000 ]  - [   0.0014089400000000,  0.0000054300000000,  0.0000607000000000 ]  - [  -0.0076758400000000,  0.0016452200000000, -0.0051795800000000 ]  - [   0.0001733200000000, -0.0002456700000000, -0.0000950800000000 ]  - [  -0.0000920800000000,  0.0001041900000000,  0.0010034100000000 ]  - [   0.0006232800000000,  0.0032011900000000, -0.0008020000000000 ]  - [   0.0001097600000000,  0.0001822300000000, -0.0000715400000000 ]  - [   0.0003483900000000,  0.0004112600000000,  0.0003125800000000 ]  - [   0.0000304100000000,  0.0001358200000000,  0.0000702500000000 ]  - [   0.0000920800000000,  0.0001041900000000, -0.0010034100000000 ]  - [  -0.0001733200000000, -0.0002456700000000,  0.0000950800000000 ]  - [   0.0076758400000000,  0.0016452200000000,  0.0051795800000000 ]  - [  -0.0014089400000000,  0.0000054300000000, -0.0000607000000000 ]  - [  -0.0078748200000000,  0.0016161100000000,  0.0051319500000000 ]  - [   0.0011301600000000, -0.0000209600000000, -0.0000618500000000 ]  - [  -0.0003698300000000,  0.0000760800000000, -0.0010025200000000 ]  - [  -0.0001051400000000, -0.0002723700000000,  0.0000959300000000 ]  - [  -0.0000700600000000,  0.0004397700000000,  0.0003112700000000 ]  - [   0.0002482300000000,  0.0001637400000000,  0.0000701700000000 ]  - [  -0.0003374200000000,  0.0032138700000000, -0.0007920900000000 ]  - [   0.0001680800000000,  0.0002102800000000, -0.0000715400000000 ]  - [   0.0001051400000000, -0.0002723700000000, -0.0000959300000000 ]  - [   0.0003698300000000,  0.0000760800000000,  0.0010025200000000 ]  - [  -0.0011301600000000, -0.0000209600000000,  0.0000618500000000 ]  - [   0.0078748200000000,  0.0016161100000000, -0.0051319500000000 ]  - [  -0.0001680800000000,  0.0002102800000000,  0.0000715400000000 ]  - [   0.0003374200000000,  0.0032138700000000,  0.0007920900000000 ]  - [  -0.0002482300000000,  0.0001637400000000, -0.0000701700000000 ]  - [   0.0000700600000000,  0.0004397700000000, -0.0003112700000000 ]  - [   0.0000000000000000, -0.0672657300000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0005052600000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0005035400000000,  0.0000000000000000 ]  - [   0.0000000000000000, -0.0005550600000000,  0.0000000000000000 ]  - [  -0.0079003600000000, -0.0107405000000000,  0.0000467700000000 ]  - [   0.0002512500000000, -0.0005196600000000, -0.0000006200000000 ]  - [   0.0079003600000000, -0.0107405000000000, -0.0000467700000000 ]  - [  -0.0002512500000000, -0.0005196600000000,  0.0000006200000000 ]  - [  -0.0001191800000000,  0.0006642200000000,  0.0001807200000000 ]  - [  -0.0001207700000000,  0.0006662500000000, -0.0001836000000000 ]  - [   0.0001207700000000,  0.0006662500000000,  0.0001836000000000 ]  - [   0.0001191800000000,  0.0006642200000000, -0.0001807200000000 ]  - [   0.0000017300000000,  0.0008956800000000, -0.0000663900000000 ]  - [  -0.0000017300000000,  0.0008956800000000,  0.0000663900000000 ]  - [  -0.0000002400000000,  0.0004211100000000, -0.0002808700000000 ]  - [   0.0000002400000000,  0.0004211100000000,  0.0002808700000000 ]- atom:   65  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0005712200000000,  0.0008047500000000, -0.0010326100000000 ]  - [   0.0000400100000000,  0.0001609000000000, -0.0004885800000000 ]  - [  -0.0005453800000000, -0.0002657100000000,  0.0010184000000000 ]  - [   0.0004521700000000, -0.0004864300000000,  0.0005082700000000 ]  - [  -0.0166294300000000, -0.0152227600000000,  0.0251632100000000 ]  - [  -0.0007960500000000,  0.0000765600000000,  0.0008345100000000 ]  - [  -0.0014036700000000, -0.0011558600000000, -0.0055530600000000 ]  - [   0.0003832400000000, -0.0000384300000000, -0.0008287800000000 ]  - [   0.0006965600000000, -0.0002253100000000, -0.0008306700000000 ]  - [  -0.0010735700000000,  0.0008800200000000, -0.0055312500000000 ]  - [  -0.0004810100000000, -0.0003409700000000,  0.0008343400000000 ]  - [  -0.0173905800000000,  0.0159283900000000,  0.0260185000000000 ]  - [   0.0001365100000000,  0.0007535800000000,  0.0004988400000000 ]  - [  -0.0008631200000000,  0.0005294200000000,  0.0010069000000000 ]  - [  -0.0002797500000000,  0.0001055600000000, -0.0004948500000000 ]  - [   0.0002563100000000, -0.0005383800000000, -0.0010368000000000 ]  - [   0.0007960500000000, -0.0000765600000000,  0.0008345100000000 ]  - [   0.0166294300000000,  0.0152227600000000,  0.0251632100000000 ]  - [  -0.0003832400000000,  0.0000384300000000, -0.0008287800000000 ]  - [   0.0014036700000000,  0.0011558600000000, -0.0055530600000000 ]  - [  -0.0000400100000000, -0.0001609000000000, -0.0004885800000000 ]  - [  -0.0005712200000000, -0.0008047500000000, -0.0010326100000000 ]  - [  -0.0004521700000000,  0.0004864300000000,  0.0005082700000000 ]  - [   0.0005453800000000,  0.0002657100000000,  0.0010184000000000 ]  - [   0.0008631200000000, -0.0005294200000000,  0.0010069000000000 ]  - [  -0.0001365100000000, -0.0007535800000000,  0.0004988400000000 ]  - [  -0.0002563100000000,  0.0005383800000000, -0.0010368000000000 ]  - [   0.0002797500000000, -0.0001055600000000, -0.0004948500000000 ]  - [   0.0010735700000000, -0.0008800200000000, -0.0055312500000000 ]  - [  -0.0006965600000000,  0.0002253100000000, -0.0008306700000000 ]  - [   0.0173905800000000, -0.0159283900000000,  0.0260185000000000 ]  - [   0.0004810100000000,  0.0003409700000000,  0.0008343400000000 ]  - [  -0.0002535400000000, -0.0001313100000000,  0.0002789400000000 ]  - [   0.0001392300000000, -0.0005964100000000,  0.0008373500000000 ]  - [  -0.0001517300000000,  0.0000659000000000, -0.0002723000000000 ]  - [  -0.0001778700000000,  0.0017840900000000, -0.0007804200000000 ]  - [  -0.0011845700000000, -0.0002197300000000, -0.0005624400000000 ]  - [   0.0069939100000000, -0.0055657300000000, -0.0001774900000000 ]  - [   0.0005176800000000,  0.0002586500000000,  0.0005879200000000 ]  - [  -0.0005802600000000,  0.0005474900000000,  0.0019437800000000 ]  - [   0.0000987700000000, -0.0018135800000000, -0.0007752700000000 ]  - [   0.0001240100000000, -0.0000995500000000, -0.0002727300000000 ]  - [   0.0004152100000000,  0.0005680500000000,  0.0008351700000000 ]  - [   0.0000205900000000,  0.0001020600000000,  0.0002801400000000 ]  - [  -0.0008476700000000, -0.0005110100000000,  0.0019449500000000 ]  - [   0.0002391700000000, -0.0002252400000000,  0.0005889400000000 ]  - [   0.0067640300000000,  0.0056309100000000, -0.0002031200000000 ]  - [  -0.0014602300000000,  0.0002494800000000, -0.0005630800000000 ]  - [  -0.0069939100000000,  0.0055657300000000, -0.0001774900000000 ]  - [   0.0011845700000000,  0.0002197300000000, -0.0005624400000000 ]  - [   0.0005802600000000, -0.0005474900000000,  0.0019437800000000 ]  - [  -0.0005176800000000, -0.0002586500000000,  0.0005879200000000 ]  - [  -0.0001392300000000,  0.0005964100000000,  0.0008373500000000 ]  - [   0.0002535400000000,  0.0001313100000000,  0.0002789400000000 ]  - [   0.0001778700000000, -0.0017840900000000, -0.0007804200000000 ]  - [   0.0001517300000000, -0.0000659000000000, -0.0002723000000000 ]  - [  -0.0002391700000000,  0.0002252400000000,  0.0005889400000000 ]  - [   0.0008476700000000,  0.0005110100000000,  0.0019449500000000 ]  - [   0.0014602300000000, -0.0002494800000000, -0.0005630800000000 ]  - [  -0.0067640300000000, -0.0056309100000000, -0.0002031200000000 ]  - [  -0.0001240100000000,  0.0000995500000000, -0.0002727300000000 ]  - [  -0.0000987700000000,  0.0018135800000000, -0.0007752700000000 ]  - [  -0.0000205900000000, -0.0001020600000000,  0.0002801400000000 ]  - [  -0.0004152100000000, -0.0005680500000000,  0.0008351700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.1557258800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0014888000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0052312500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0011057000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0311691500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001953700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0317388600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001940200000000 ]  - [  -0.0003000000000000, -0.0001870700000000,  0.0002276000000000 ]  - [   0.0003000000000000,  0.0001870700000000,  0.0002276000000000 ]  - [   0.0003008600000000, -0.0001827600000000,  0.0002248700000000 ]  - [  -0.0003008600000000,  0.0001827600000000,  0.0002248700000000 ]  - [   0.0000013400000000, -0.0000691800000000, -0.0014486300000000 ]  - [  -0.0000013400000000,  0.0000691800000000, -0.0014486300000000 ]  - [  -0.0000004600000000, -0.0002835200000000,  0.0010096400000000 ]  - [   0.0000004600000000,  0.0002835200000000,  0.0010096400000000 ]