# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/b0836f03-0e77-4898-a42a-671fd814de95/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 H2C / Pnma (62) / materials id 985782](https://mdr.nims.go.jp/datasets/feff243a-363c-4a2c-8b27-9455658f59fe)

## 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: "Pnma"  number: 62  Hall_symbol: "-P 2ac 2n"supercell_matrix:- [   2,   0,   0 ]- [   0,   3,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     7.161283630000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     2.545015330000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     4.894065090000000 ] # c  points:  - symbol: H  # 1    coordinates: [  0.805799710000000,  0.750000000000000,  0.034169570000000 ]    mass: 1.007940  - symbol: H  # 2    coordinates: [  0.194200290000000,  0.250000000000000,  0.965830430000000 ]    mass: 1.007940  - symbol: H  # 3    coordinates: [  0.694200290000000,  0.250000000000000,  0.534169570000000 ]    mass: 1.007940  - symbol: H  # 4    coordinates: [  0.305799710000000,  0.750000000000000,  0.465830430000000 ]    mass: 1.007940  - symbol: H  # 5    coordinates: [  0.983498910000000,  0.750000000000000,  0.285039880000000 ]    mass: 1.007940  - symbol: H  # 6    coordinates: [  0.016501090000000,  0.250000000000000,  0.714960120000000 ]    mass: 1.007940  - symbol: H  # 7    coordinates: [  0.516501090000000,  0.250000000000000,  0.785039880000000 ]    mass: 1.007940  - symbol: H  # 8    coordinates: [  0.483498910000000,  0.750000000000000,  0.214960120000000 ]    mass: 1.007940  - symbol: C  # 9    coordinates: [  0.959546960000000,  0.750000000000000,  0.060969990000000 ]    mass: 12.010700  - symbol: C  # 10    coordinates: [  0.040453040000000,  0.250000000000000,  0.939030010000000 ]    mass: 12.010700  - symbol: C  # 11    coordinates: [  0.540453040000000,  0.250000000000000,  0.560969990000000 ]    mass: 12.010700  - symbol: C  # 12    coordinates: [  0.459546960000000,  0.750000000000000,  0.439030010000000 ]    mass: 12.010700  reciprocal_lattice: # without 2pi  - [     0.139639770139924,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.392924941634831,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.204329117330967 ] # c*unit_cell:  lattice:  - [     7.161283630000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     2.545015330000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     4.894065090000000 ] # c  points:  - symbol: H  # 1    coordinates: [  0.805799710000000,  0.750000000000000,  0.034169570000000 ]    mass: 1.007940    reduced_to: 1  - symbol: H  # 2    coordinates: [  0.194200290000000,  0.250000000000000,  0.965830430000000 ]    mass: 1.007940    reduced_to: 2  - symbol: H  # 3    coordinates: [  0.694200290000000,  0.250000000000000,  0.534169570000000 ]    mass: 1.007940    reduced_to: 3  - symbol: H  # 4    coordinates: [  0.305799710000000,  0.750000000000000,  0.465830430000000 ]    mass: 1.007940    reduced_to: 4  - symbol: H  # 5    coordinates: [  0.983498910000000,  0.750000000000000,  0.285039880000000 ]    mass: 1.007940    reduced_to: 5  - symbol: H  # 6    coordinates: [  0.016501090000000,  0.250000000000000,  0.714960120000000 ]    mass: 1.007940    reduced_to: 6  - symbol: H  # 7    coordinates: [  0.516501090000000,  0.250000000000000,  0.785039880000000 ]    mass: 1.007940    reduced_to: 7  - symbol: H  # 8    coordinates: [  0.483498910000000,  0.750000000000000,  0.214960120000000 ]    mass: 1.007940    reduced_to: 8  - symbol: C  # 9    coordinates: [  0.959546960000000,  0.750000000000000,  0.060969990000000 ]    mass: 12.010700    reduced_to: 9  - symbol: C  # 10    coordinates: [  0.040453040000000,  0.250000000000000,  0.939030010000000 ]    mass: 12.010700    reduced_to: 10  - symbol: C  # 11    coordinates: [  0.540453040000000,  0.250000000000000,  0.560969990000000 ]    mass: 12.010700    reduced_to: 11  - symbol: C  # 12    coordinates: [  0.459546960000000,  0.750000000000000,  0.439030010000000 ]    mass: 12.010700    reduced_to: 12supercell:  lattice:  - [    14.322567260000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     7.635045990000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     9.788130180000000 ] # c  points:  - symbol: H  # 1    coordinates: [  0.402899855000000,  0.250000000000000,  0.017084785000000 ]    mass: 1.007940    reduced_to: 1  - symbol: H  # 2    coordinates: [  0.902899855000000,  0.250000000000000,  0.017084785000000 ]    mass: 1.007940    reduced_to: 1  - symbol: H  # 3    coordinates: [  0.402899855000000,  0.583333333333333,  0.017084785000000 ]    mass: 1.007940    reduced_to: 1  - symbol: H  # 4    coordinates: [  0.902899855000000,  0.583333333333333,  0.017084785000000 ]    mass: 1.007940    reduced_to: 1  - symbol: H  # 5    coordinates: [  0.402899855000000,  0.916666666666667,  0.017084785000000 ]    mass: 1.007940    reduced_to: 1  - symbol: H  # 6    coordinates: [  0.902899855000000,  0.916666666666667,  0.017084785000000 ]    mass: 1.007940    reduced_to: 1  - symbol: H  # 7    coordinates: [  0.402899855000000,  0.250000000000000,  0.517084785000000 ]    mass: 1.007940    reduced_to: 1  - symbol: H  # 8    coordinates: [  0.902899855000000,  0.250000000000000,  0.517084785000000 ]    mass: 1.007940    reduced_to: 1  - symbol: H  # 9    coordinates: [  0.402899855000000,  0.583333333333333,  0.517084785000000 ]    mass: 1.007940    reduced_to: 1  - symbol: H  # 10    coordinates: [  0.902899855000000,  0.583333333333333,  0.517084785000000 ]    mass: 1.007940    reduced_to: 1  - symbol: H  # 11    coordinates: [  0.402899855000000,  0.916666666666667,  0.517084785000000 ]    mass: 1.007940    reduced_to: 1  - symbol: H  # 12    coordinates: [  0.902899855000000,  0.916666666666667,  0.517084785000000 ]    mass: 1.007940    reduced_to: 1  - symbol: H  # 13    coordinates: [  0.097100145000000,  0.083333333333333,  0.482915215000000 ]    mass: 1.007940    reduced_to: 13  - symbol: H  # 14    coordinates: [  0.597100145000000,  0.083333333333333,  0.482915215000000 ]    mass: 1.007940    reduced_to: 13  - symbol: H  # 15    coordinates: [  0.097100145000000,  0.416666666666667,  0.482915215000000 ]    mass: 1.007940    reduced_to: 13  - symbol: H  # 16    coordinates: [  0.597100145000000,  0.416666666666667,  0.482915215000000 ]    mass: 1.007940    reduced_to: 13  - symbol: H  # 17    coordinates: [  0.097100145000000,  0.750000000000000,  0.482915215000000 ]    mass: 1.007940    reduced_to: 13  - symbol: H  # 18    coordinates: [  0.597100145000000,  0.750000000000000,  0.482915215000000 ]    mass: 1.007940    reduced_to: 13  - symbol: H  # 19    coordinates: [  0.097100145000000,  0.083333333333333,  0.982915215000000 ]    mass: 1.007940    reduced_to: 13  - symbol: H  # 20    coordinates: [  0.597100145000000,  0.083333333333333,  0.982915215000000 ]    mass: 1.007940    reduced_to: 13  - symbol: H  # 21    coordinates: [  0.097100145000000,  0.416666666666667,  0.982915215000000 ]    mass: 1.007940    reduced_to: 13  - symbol: H  # 22    coordinates: [  0.597100145000000,  0.416666666666667,  0.982915215000000 ]    mass: 1.007940    reduced_to: 13  - symbol: H  # 23    coordinates: [  0.097100145000000,  0.750000000000000,  0.982915215000000 ]    mass: 1.007940    reduced_to: 13  - symbol: H  # 24    coordinates: [  0.597100145000000,  0.750000000000000,  0.982915215000000 ]    mass: 1.007940    reduced_to: 13  - symbol: H  # 25    coordinates: [  0.347100145000000,  0.083333333333333,  0.267084785000000 ]    mass: 1.007940    reduced_to: 25  - symbol: H  # 26    coordinates: [  0.847100145000000,  0.083333333333333,  0.267084785000000 ]    mass: 1.007940    reduced_to: 25  - symbol: H  # 27    coordinates: [  0.347100145000000,  0.416666666666667,  0.267084785000000 ]    mass: 1.007940    reduced_to: 25  - symbol: H  # 28    coordinates: [  0.847100145000000,  0.416666666666667,  0.267084785000000 ]    mass: 1.007940    reduced_to: 25  - symbol: H  # 29    coordinates: [  0.347100145000000,  0.750000000000000,  0.267084785000000 ]    mass: 1.007940    reduced_to: 25  - symbol: H  # 30    coordinates: [  0.847100145000000,  0.750000000000000,  0.267084785000000 ]    mass: 1.007940    reduced_to: 25  - symbol: H  # 31    coordinates: [  0.347100145000000,  0.083333333333333,  0.767084785000000 ]    mass: 1.007940    reduced_to: 25  - symbol: H  # 32    coordinates: [  0.847100145000000,  0.083333333333333,  0.767084785000000 ]    mass: 1.007940    reduced_to: 25  - symbol: H  # 33    coordinates: [  0.347100145000000,  0.416666666666667,  0.767084785000000 ]    mass: 1.007940    reduced_to: 25  - symbol: H  # 34    coordinates: [  0.847100145000000,  0.416666666666667,  0.767084785000000 ]    mass: 1.007940    reduced_to: 25  - symbol: H  # 35    coordinates: [  0.347100145000000,  0.750000000000000,  0.767084785000000 ]    mass: 1.007940    reduced_to: 25  - symbol: H  # 36    coordinates: [  0.847100145000000,  0.750000000000000,  0.767084785000000 ]    mass: 1.007940    reduced_to: 25  - symbol: H  # 37    coordinates: [  0.152899855000000,  0.250000000000000,  0.232915215000000 ]    mass: 1.007940    reduced_to: 37  - symbol: H  # 38    coordinates: [  0.652899855000000,  0.250000000000000,  0.232915215000000 ]    mass: 1.007940    reduced_to: 37  - symbol: H  # 39    coordinates: [  0.152899855000000,  0.583333333333333,  0.232915215000000 ]    mass: 1.007940    reduced_to: 37  - symbol: H  # 40    coordinates: [  0.652899855000000,  0.583333333333333,  0.232915215000000 ]    mass: 1.007940    reduced_to: 37  - symbol: H  # 41    coordinates: [  0.152899855000000,  0.916666666666667,  0.232915215000000 ]    mass: 1.007940    reduced_to: 37  - symbol: H  # 42    coordinates: [  0.652899855000000,  0.916666666666667,  0.232915215000000 ]    mass: 1.007940    reduced_to: 37  - symbol: H  # 43    coordinates: [  0.152899855000000,  0.250000000000000,  0.732915215000000 ]    mass: 1.007940    reduced_to: 37  - symbol: H  # 44    coordinates: [  0.652899855000000,  0.250000000000000,  0.732915215000000 ]    mass: 1.007940    reduced_to: 37  - symbol: H  # 45    coordinates: [  0.152899855000000,  0.583333333333333,  0.732915215000000 ]    mass: 1.007940    reduced_to: 37  - symbol: H  # 46    coordinates: [  0.652899855000000,  0.583333333333333,  0.732915215000000 ]    mass: 1.007940    reduced_to: 37  - symbol: H  # 47    coordinates: [  0.152899855000000,  0.916666666666667,  0.732915215000000 ]    mass: 1.007940    reduced_to: 37  - symbol: H  # 48    coordinates: [  0.652899855000000,  0.916666666666667,  0.732915215000000 ]    mass: 1.007940    reduced_to: 37  - symbol: H  # 49    coordinates: [  0.491749455000000,  0.250000000000000,  0.142519940000000 ]    mass: 1.007940    reduced_to: 49  - symbol: H  # 50    coordinates: [  0.991749455000000,  0.250000000000000,  0.142519940000000 ]    mass: 1.007940    reduced_to: 49  - symbol: H  # 51    coordinates: [  0.491749455000000,  0.583333333333333,  0.142519940000000 ]    mass: 1.007940    reduced_to: 49  - symbol: H  # 52    coordinates: [  0.991749455000000,  0.583333333333333,  0.142519940000000 ]    mass: 1.007940    reduced_to: 49  - symbol: H  # 53    coordinates: [  0.491749455000000,  0.916666666666667,  0.142519940000000 ]    mass: 1.007940    reduced_to: 49  - symbol: H  # 54    coordinates: [  0.991749455000000,  0.916666666666667,  0.142519940000000 ]    mass: 1.007940    reduced_to: 49  - symbol: H  # 55    coordinates: [  0.491749455000000,  0.250000000000000,  0.642519940000000 ]    mass: 1.007940    reduced_to: 49  - symbol: H  # 56    coordinates: [  0.991749455000000,  0.250000000000000,  0.642519940000000 ]    mass: 1.007940    reduced_to: 49  - symbol: H  # 57    coordinates: [  0.491749455000000,  0.583333333333333,  0.642519940000000 ]    mass: 1.007940    reduced_to: 49  - symbol: H  # 58    coordinates: [  0.991749455000000,  0.583333333333333,  0.642519940000000 ]    mass: 1.007940    reduced_to: 49  - symbol: H  # 59    coordinates: [  0.491749455000000,  0.916666666666667,  0.642519940000000 ]    mass: 1.007940    reduced_to: 49  - symbol: H  # 60    coordinates: [  0.991749455000000,  0.916666666666667,  0.642519940000000 ]    mass: 1.007940    reduced_to: 49  - symbol: H  # 61    coordinates: [  0.008250545000000,  0.083333333333333,  0.357480060000000 ]    mass: 1.007940    reduced_to: 61  - symbol: H  # 62    coordinates: [  0.508250545000000,  0.083333333333333,  0.357480060000000 ]    mass: 1.007940    reduced_to: 61  - symbol: H  # 63    coordinates: [  0.008250545000000,  0.416666666666667,  0.357480060000000 ]    mass: 1.007940    reduced_to: 61  - symbol: H  # 64    coordinates: [  0.508250545000000,  0.416666666666667,  0.357480060000000 ]    mass: 1.007940    reduced_to: 61  - symbol: H  # 65    coordinates: [  0.008250545000000,  0.750000000000000,  0.357480060000000 ]    mass: 1.007940    reduced_to: 61  - symbol: H  # 66    coordinates: [  0.508250545000000,  0.750000000000000,  0.357480060000000 ]    mass: 1.007940    reduced_to: 61  - symbol: H  # 67    coordinates: [  0.008250545000000,  0.083333333333333,  0.857480060000000 ]    mass: 1.007940    reduced_to: 61  - symbol: H  # 68    coordinates: [  0.508250545000000,  0.083333333333333,  0.857480060000000 ]    mass: 1.007940    reduced_to: 61  - symbol: H  # 69    coordinates: [  0.008250545000000,  0.416666666666667,  0.857480060000000 ]    mass: 1.007940    reduced_to: 61  - symbol: H  # 70    coordinates: [  0.508250545000000,  0.416666666666667,  0.857480060000000 ]    mass: 1.007940    reduced_to: 61  - symbol: H  # 71    coordinates: [  0.008250545000000,  0.750000000000000,  0.857480060000000 ]    mass: 1.007940    reduced_to: 61  - symbol: H  # 72    coordinates: [  0.508250545000000,  0.750000000000000,  0.857480060000000 ]    mass: 1.007940    reduced_to: 61  - symbol: H  # 73    coordinates: [  0.258250545000000,  0.083333333333333,  0.392519940000000 ]    mass: 1.007940    reduced_to: 73  - symbol: H  # 74    coordinates: [  0.758250545000000,  0.083333333333333,  0.392519940000000 ]    mass: 1.007940    reduced_to: 73  - symbol: H  # 75    coordinates: [  0.258250545000000,  0.416666666666667,  0.392519940000000 ]    mass: 1.007940    reduced_to: 73  - symbol: H  # 76    coordinates: [  0.758250545000000,  0.416666666666667,  0.392519940000000 ]    mass: 1.007940    reduced_to: 73  - symbol: H  # 77    coordinates: [  0.258250545000000,  0.750000000000000,  0.392519940000000 ]    mass: 1.007940    reduced_to: 73  - symbol: H  # 78    coordinates: [  0.758250545000000,  0.750000000000000,  0.392519940000000 ]    mass: 1.007940    reduced_to: 73  - symbol: H  # 79    coordinates: [  0.258250545000000,  0.083333333333333,  0.892519940000000 ]    mass: 1.007940    reduced_to: 73  - symbol: H  # 80    coordinates: [  0.758250545000000,  0.083333333333333,  0.892519940000000 ]    mass: 1.007940    reduced_to: 73  - symbol: H  # 81    coordinates: [  0.258250545000000,  0.416666666666667,  0.892519940000000 ]    mass: 1.007940    reduced_to: 73  - symbol: H  # 82    coordinates: [  0.758250545000000,  0.416666666666667,  0.892519940000000 ]    mass: 1.007940    reduced_to: 73  - symbol: H  # 83    coordinates: [  0.258250545000000,  0.750000000000000,  0.892519940000000 ]    mass: 1.007940    reduced_to: 73  - symbol: H  # 84    coordinates: [  0.758250545000000,  0.750000000000000,  0.892519940000000 ]    mass: 1.007940    reduced_to: 73  - symbol: H  # 85    coordinates: [  0.241749455000000,  0.250000000000000,  0.107480060000000 ]    mass: 1.007940    reduced_to: 85  - symbol: H  # 86    coordinates: [  0.741749455000000,  0.250000000000000,  0.107480060000000 ]    mass: 1.007940    reduced_to: 85  - symbol: H  # 87    coordinates: [  0.241749455000000,  0.583333333333333,  0.107480060000000 ]    mass: 1.007940    reduced_to: 85  - symbol: H  # 88    coordinates: [  0.741749455000000,  0.583333333333333,  0.107480060000000 ]    mass: 1.007940    reduced_to: 85  - symbol: H  # 89    coordinates: [  0.241749455000000,  0.916666666666667,  0.107480060000000 ]    mass: 1.007940    reduced_to: 85  - symbol: H  # 90    coordinates: [  0.741749455000000,  0.916666666666667,  0.107480060000000 ]    mass: 1.007940    reduced_to: 85  - symbol: H  # 91    coordinates: [  0.241749455000000,  0.250000000000000,  0.607480060000000 ]    mass: 1.007940    reduced_to: 85  - symbol: H  # 92    coordinates: [  0.741749455000000,  0.250000000000000,  0.607480060000000 ]    mass: 1.007940    reduced_to: 85  - symbol: H  # 93    coordinates: [  0.241749455000000,  0.583333333333333,  0.607480060000000 ]    mass: 1.007940    reduced_to: 85  - symbol: H  # 94    coordinates: [  0.741749455000000,  0.583333333333333,  0.607480060000000 ]    mass: 1.007940    reduced_to: 85  - symbol: H  # 95    coordinates: [  0.241749455000000,  0.916666666666667,  0.607480060000000 ]    mass: 1.007940    reduced_to: 85  - symbol: H  # 96    coordinates: [  0.741749455000000,  0.916666666666667,  0.607480060000000 ]    mass: 1.007940    reduced_to: 85  - symbol: C  # 97    coordinates: [  0.479773480000000,  0.250000000000000,  0.030484995000000 ]    mass: 12.010700    reduced_to: 97  - symbol: C  # 98    coordinates: [  0.979773480000000,  0.250000000000000,  0.030484995000000 ]    mass: 12.010700    reduced_to: 97  - symbol: C  # 99    coordinates: [  0.479773480000000,  0.583333333333333,  0.030484995000000 ]    mass: 12.010700    reduced_to: 97  - symbol: C  # 100    coordinates: [  0.979773480000000,  0.583333333333333,  0.030484995000000 ]    mass: 12.010700    reduced_to: 97  - symbol: C  # 101    coordinates: [  0.479773480000000,  0.916666666666667,  0.030484995000000 ]    mass: 12.010700    reduced_to: 97  - symbol: C  # 102    coordinates: [  0.979773480000000,  0.916666666666667,  0.030484995000000 ]    mass: 12.010700    reduced_to: 97  - symbol: C  # 103    coordinates: [  0.479773480000000,  0.250000000000000,  0.530484995000000 ]    mass: 12.010700    reduced_to: 97  - symbol: C  # 104    coordinates: [  0.979773480000000,  0.250000000000000,  0.530484995000000 ]    mass: 12.010700    reduced_to: 97  - symbol: C  # 105    coordinates: [  0.479773480000000,  0.583333333333333,  0.530484995000000 ]    mass: 12.010700    reduced_to: 97  - symbol: C  # 106    coordinates: [  0.979773480000000,  0.583333333333333,  0.530484995000000 ]    mass: 12.010700    reduced_to: 97  - symbol: C  # 107    coordinates: [  0.479773480000000,  0.916666666666667,  0.530484995000000 ]    mass: 12.010700    reduced_to: 97  - symbol: C  # 108    coordinates: [  0.979773480000000,  0.916666666666667,  0.530484995000000 ]    mass: 12.010700    reduced_to: 97  - symbol: C  # 109    coordinates: [  0.020226520000000,  0.083333333333333,  0.469515005000000 ]    mass: 12.010700    reduced_to: 109  - symbol: C  # 110    coordinates: [  0.520226520000000,  0.083333333333333,  0.469515005000000 ]    mass: 12.010700    reduced_to: 109  - symbol: C  # 111    coordinates: [  0.020226520000000,  0.416666666666667,  0.469515005000000 ]    mass: 12.010700    reduced_to: 109  - symbol: C  # 112    coordinates: [  0.520226520000000,  0.416666666666667,  0.469515005000000 ]    mass: 12.010700    reduced_to: 109  - symbol: C  # 113    coordinates: [  0.020226520000000,  0.750000000000000,  0.469515005000000 ]    mass: 12.010700    reduced_to: 109  - symbol: C  # 114    coordinates: [  0.520226520000000,  0.750000000000000,  0.469515005000000 ]    mass: 12.010700    reduced_to: 109  - symbol: C  # 115    coordinates: [  0.020226520000000,  0.083333333333333,  0.969515005000000 ]    mass: 12.010700    reduced_to: 109  - symbol: C  # 116    coordinates: [  0.520226520000000,  0.083333333333333,  0.969515005000000 ]    mass: 12.010700    reduced_to: 109  - symbol: C  # 117    coordinates: [  0.020226520000000,  0.416666666666667,  0.969515005000000 ]    mass: 12.010700    reduced_to: 109  - symbol: C  # 118    coordinates: [  0.520226520000000,  0.416666666666667,  0.969515005000000 ]    mass: 12.010700    reduced_to: 109  - symbol: C  # 119    coordinates: [  0.020226520000000,  0.750000000000000,  0.969515005000000 ]    mass: 12.010700    reduced_to: 109  - symbol: C  # 120    coordinates: [  0.520226520000000,  0.750000000000000,  0.969515005000000 ]    mass: 12.010700    reduced_to: 109  - symbol: C  # 121    coordinates: [  0.270226520000000,  0.083333333333333,  0.280484995000000 ]    mass: 12.010700    reduced_to: 121  - symbol: C  # 122    coordinates: [  0.770226520000000,  0.083333333333333,  0.280484995000000 ]    mass: 12.010700    reduced_to: 121  - symbol: C  # 123    coordinates: [  0.270226520000000,  0.416666666666667,  0.280484995000000 ]    mass: 12.010700    reduced_to: 121  - symbol: C  # 124    coordinates: [  0.770226520000000,  0.416666666666667,  0.280484995000000 ]    mass: 12.010700    reduced_to: 121  - symbol: C  # 125    coordinates: [  0.270226520000000,  0.750000000000000,  0.280484995000000 ]    mass: 12.010700    reduced_to: 121  - symbol: C  # 126    coordinates: [  0.770226520000000,  0.750000000000000,  0.280484995000000 ]    mass: 12.010700    reduced_to: 121  - symbol: C  # 127    coordinates: [  0.270226520000000,  0.083333333333333,  0.780484995000000 ]    mass: 12.010700    reduced_to: 121  - symbol: C  # 128    coordinates: [  0.770226520000000,  0.083333333333333,  0.780484995000000 ]    mass: 12.010700    reduced_to: 121  - symbol: C  # 129    coordinates: [  0.270226520000000,  0.416666666666667,  0.780484995000000 ]    mass: 12.010700    reduced_to: 121  - symbol: C  # 130    coordinates: [  0.770226520000000,  0.416666666666667,  0.780484995000000 ]    mass: 12.010700    reduced_to: 121  - symbol: C  # 131    coordinates: [  0.270226520000000,  0.750000000000000,  0.780484995000000 ]    mass: 12.010700    reduced_to: 121  - symbol: C  # 132    coordinates: [  0.770226520000000,  0.750000000000000,  0.780484995000000 ]    mass: 12.010700    reduced_to: 121  - symbol: C  # 133    coordinates: [  0.229773480000000,  0.250000000000000,  0.219515005000000 ]    mass: 12.010700    reduced_to: 133  - symbol: C  # 134    coordinates: [  0.729773480000000,  0.250000000000000,  0.219515005000000 ]    mass: 12.010700    reduced_to: 133  - symbol: C  # 135    coordinates: [  0.229773480000000,  0.583333333333333,  0.219515005000000 ]    mass: 12.010700    reduced_to: 133  - symbol: C  # 136    coordinates: [  0.729773480000000,  0.583333333333333,  0.219515005000000 ]    mass: 12.010700    reduced_to: 133  - symbol: C  # 137    coordinates: [  0.229773480000000,  0.916666666666667,  0.219515005000000 ]    mass: 12.010700    reduced_to: 133  - symbol: C  # 138    coordinates: [  0.729773480000000,  0.916666666666667,  0.219515005000000 ]    mass: 12.010700    reduced_to: 133  - symbol: C  # 139    coordinates: [  0.229773480000000,  0.250000000000000,  0.719515005000000 ]    mass: 12.010700    reduced_to: 133  - symbol: C  # 140    coordinates: [  0.729773480000000,  0.250000000000000,  0.719515005000000 ]    mass: 12.010700    reduced_to: 133  - symbol: C  # 141    coordinates: [  0.229773480000000,  0.583333333333333,  0.719515005000000 ]    mass: 12.010700    reduced_to: 133  - symbol: C  # 142    coordinates: [  0.729773480000000,  0.583333333333333,  0.719515005000000 ]    mass: 12.010700    reduced_to: 133  - symbol: C  # 143    coordinates: [  0.229773480000000,  0.916666666666667,  0.719515005000000 ]    mass: 12.010700    reduced_to: 133  - symbol: C  # 144    coordinates: [  0.729773480000000,  0.916666666666667,  0.719515005000000 ]    mass: 12.010700    reduced_to: 133born_effective_charge:- # 1 (H)  - [ -0.227566250000000,  0.000000000000000, -0.038585840000000 ]  - [  0.000000000000000,  0.021581150000000,  0.000000000000000 ]  - [  0.006446260000000,  0.000000000000000,  0.092519660000000 ]- # 2 (H)  - [ -0.227566250000000,  0.000000000000000, -0.038585840000000 ]  - [  0.000000000000000,  0.021581150000000,  0.000000000000000 ]  - [  0.006446260000000,  0.000000000000000,  0.092519660000000 ]- # 3 (H)  - [ -0.227566250000000,  0.000000000000000,  0.038585840000000 ]  - [  0.000000000000000,  0.021581150000000,  0.000000000000000 ]  - [ -0.006446260000000,  0.000000000000000,  0.092519660000000 ]- # 4 (H)  - [ -0.227566250000000,  0.000000000000000,  0.038585840000000 ]  - [  0.000000000000000,  0.021581150000000,  0.000000000000000 ]  - [ -0.006446260000000,  0.000000000000000,  0.092519660000000 ]- # 5 (H)  - [  0.100814790000000,  0.000000000000000, -0.001598070000000 ]  - [  0.000000000000000,  0.016555380000000,  0.000000000000000 ]  - [ -0.045653920000000,  0.000000000000000, -0.261280050000000 ]- # 6 (H)  - [  0.100814790000000,  0.000000000000000, -0.001598070000000 ]  - [  0.000000000000000,  0.016555380000000,  0.000000000000000 ]  - [ -0.045653920000000,  0.000000000000000, -0.261280050000000 ]- # 7 (H)  - [  0.100814790000000,  0.000000000000000,  0.001598070000000 ]  - [  0.000000000000000,  0.016555380000000,  0.000000000000000 ]  - [  0.045653920000000,  0.000000000000000, -0.261280050000000 ]- # 8 (H)  - [  0.100814790000000,  0.000000000000000,  0.001598070000000 ]  - [  0.000000000000000,  0.016555380000000,  0.000000000000000 ]  - [  0.045653920000000,  0.000000000000000, -0.261280050000000 ]- # 9 (C)  - [  0.126751460000000,  0.000000000000000,  0.049488670000000 ]  - [  0.000000000000000, -0.038136530000000,  0.000000000000000 ]  - [  0.034768250000000,  0.000000000000000,  0.168760390000000 ]- # 10 (C)  - [  0.126751460000000,  0.000000000000000,  0.049488670000000 ]  - [  0.000000000000000, -0.038136530000000,  0.000000000000000 ]  - [  0.034768250000000,  0.000000000000000,  0.168760390000000 ]- # 11 (C)  - [  0.126751460000000,  0.000000000000000, -0.049488670000000 ]  - [  0.000000000000000, -0.038136530000000,  0.000000000000000 ]  - [ -0.034768250000000,  0.000000000000000,  0.168760390000000 ]- # 12 (C)  - [  0.126751460000000,  0.000000000000000, -0.049488670000000 ]  - [  0.000000000000000, -0.038136530000000,  0.000000000000000 ]  - [ -0.034768250000000,  0.000000000000000,  0.168760390000000 ]dielectric_constant:  - [  2.504034320000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  2.699976050000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.579746840000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.3000791700000000,  0.0000000000000000, -0.0339317100000000 ]  - [  -0.0000279100000000,  0.0000000000000000, -0.0009970900000000 ]  - [  -0.0004508000000000,  0.0008275500000000, -0.0007951800000000 ]  - [  -0.0000252600000000, -0.0000041000000000, -0.0009986500000000 ]  - [  -0.0004508000000000, -0.0008275500000000, -0.0007951800000000 ]  - [  -0.0000252600000000,  0.0000041000000000, -0.0009986500000000 ]  - [  -0.0001107800000000,  0.0000000000000000, -0.0010258300000000 ]  - [  -0.0000220600000000,  0.0000000000000000, -0.0009946800000000 ]  - [  -0.0001022500000000,  0.0000065500000000, -0.0010180500000000 ]  - [  -0.0000276400000000, -0.0000021500000000, -0.0009968300000000 ]  - [  -0.0001022500000000, -0.0000065500000000, -0.0010180500000000 ]  - [  -0.0000276400000000,  0.0000021500000000, -0.0009968300000000 ]  - [   0.0000950000000000, -0.0000036300000000,  0.0010112600000000 ]  - [   0.0000246800000000,  0.0000052500000000,  0.0010021300000000 ]  - [   0.0000950000000000,  0.0000036300000000,  0.0010112600000000 ]  - [   0.0000246800000000, -0.0000052500000000,  0.0010021300000000 ]  - [   0.0000916500000000,  0.0000000000000000,  0.0010060200000000 ]  - [   0.0000281600000000,  0.0000000000000000,  0.0010033400000000 ]  - [   0.0001007000000000, -0.0000036800000000,  0.0010094100000000 ]  - [  -0.0002655500000000, -0.0018636400000000, -0.0003865800000000 ]  - [   0.0001007000000000,  0.0000036800000000,  0.0010094100000000 ]  - [  -0.0002655500000000,  0.0018636400000000, -0.0003865800000000 ]  - [   0.0000947600000000,  0.0000000000000000,  0.0010054300000000 ]  - [  -0.0001141500000000,  0.0000000000000000,  0.0010850100000000 ]  - [   0.0000950700000000, -0.0001255400000000, -0.0007499400000000 ]  - [   0.0000911700000000, -0.0000168300000000, -0.0009981500000000 ]  - [   0.0000950700000000,  0.0001255400000000, -0.0007499400000000 ]  - [   0.0000911700000000,  0.0000168300000000, -0.0009981500000000 ]  - [   0.0000632600000000,  0.0000000000000000, -0.0009956700000000 ]  - [   0.0000840800000000,  0.0000000000000000, -0.0010002200000000 ]  - [   0.0000942800000000, -0.0000889200000000, -0.0012510200000000 ]  - [   0.0000925800000000, -0.0000045200000000, -0.0010423100000000 ]  - [   0.0000942800000000,  0.0000889200000000, -0.0012510200000000 ]  - [   0.0000925800000000,  0.0000045200000000, -0.0010423100000000 ]  - [   0.0000622000000000,  0.0000000000000000, -0.0010052300000000 ]  - [   0.0000833600000000,  0.0000000000000000, -0.0010104300000000 ]  - [   0.0000382300000000,  0.0000000000000000,  0.0010071300000000 ]  - [   0.0000441300000000,  0.0000000000000000,  0.0009124000000000 ]  - [  -0.0000326100000000, -0.0000234400000000,  0.0009937500000000 ]  - [  -0.0000306200000000, -0.0000165800000000,  0.0009654800000000 ]  - [  -0.0000326100000000,  0.0000234400000000,  0.0009937500000000 ]  - [  -0.0000306200000000,  0.0000165800000000,  0.0009654800000000 ]  - [  -0.0000143500000000,  0.0000000000000000,  0.0010109300000000 ]  - [  -0.0000143200000000,  0.0000000000000000,  0.0010792600000000 ]  - [  -0.0000293800000000, -0.0000291500000000,  0.0010094900000000 ]  - [  -0.0000272300000000, -0.0000238800000000,  0.0010517900000000 ]  - [  -0.0000293800000000,  0.0000291500000000,  0.0010094900000000 ]  - [  -0.0000272300000000,  0.0000238800000000,  0.0010517900000000 ]  - [   0.0050260400000000,  0.0000000000000000,  0.0002001500000000 ]  - [  -0.0002116500000000,  0.0000000000000000, -0.0001782600000000 ]  - [  -0.0001578400000000,  0.0000507800000000, -0.0001721000000000 ]  - [  -0.0002111500000000, -0.0000003400000000, -0.0001833200000000 ]  - [  -0.0001578400000000, -0.0000507800000000, -0.0001721000000000 ]  - [  -0.0002111500000000,  0.0000003400000000, -0.0001833200000000 ]  - [  -0.0001564900000000,  0.0000000000000000, -0.0001904300000000 ]  - [  -0.0002150700000000,  0.0000000000000000, -0.0001875000000000 ]  - [  -0.0001797900000000,  0.0000015900000000, -0.0001838100000000 ]  - [  -0.0002125100000000, -0.0000004700000000, -0.0001846800000000 ]  - [  -0.0001797900000000, -0.0000015900000000, -0.0001838100000000 ]  - [  -0.0002125100000000,  0.0000004700000000, -0.0001846800000000 ]  - [   0.0001802700000000, -0.0000004200000000,  0.0001815200000000 ]  - [   0.0002426000000000,  0.0000111700000000,  0.0002012800000000 ]  - [   0.0001802700000000,  0.0000004200000000,  0.0001815200000000 ]  - [   0.0002426000000000, -0.0000111700000000,  0.0002012800000000 ]  - [   0.0001827300000000,  0.0000000000000000,  0.0001826000000000 ]  - [   0.0002182100000000,  0.0000000000000000,  0.0001783200000000 ]  - [   0.0001830200000000, -0.0000001200000000,  0.0001841100000000 ]  - [  -0.0002964200000000,  0.0002129700000000,  0.0000062300000000 ]  - [   0.0001830200000000,  0.0000001200000000,  0.0001841100000000 ]  - [  -0.0002964200000000, -0.0002129700000000,  0.0000062300000000 ]  - [   0.0001838200000000,  0.0000000000000000,  0.0001855200000000 ]  - [   0.0002618200000000,  0.0000000000000000,  0.0001671800000000 ]  - [   0.0002554700000000, -0.0000322200000000, -0.0002155000000000 ]  - [   0.0002058700000000, -0.0000087100000000, -0.0001552000000000 ]  - [   0.0002554700000000,  0.0000322200000000, -0.0002155000000000 ]  - [   0.0002058700000000,  0.0000087100000000, -0.0001552000000000 ]  - [   0.0001896000000000,  0.0000000000000000, -0.0002058500000000 ]  - [   0.0002087000000000,  0.0000000000000000, -0.0001605200000000 ]  - [   0.0000351900000000, -0.0000343800000000, -0.0002112900000000 ]  - [   0.0001380700000000,  0.0000073000000000, -0.0002416500000000 ]  - [   0.0000351900000000,  0.0000343800000000, -0.0002112900000000 ]  - [   0.0001380700000000, -0.0000073000000000, -0.0002416500000000 ]  - [   0.0001788400000000,  0.0000000000000000, -0.0001723300000000 ]  - [   0.0001823700000000,  0.0000000000000000, -0.0001988700000000 ]  - [  -0.0004002000000000,  0.0000000000000000,  0.0004551800000000 ]  - [  -0.0002708500000000,  0.0000000000000000,  0.0002473600000000 ]  - [  -0.0002466800000000,  0.0000558900000000,  0.0001807300000000 ]  - [  -0.0002507800000000, -0.0000163500000000,  0.0002175700000000 ]  - [  -0.0002466800000000, -0.0000558900000000,  0.0001807300000000 ]  - [  -0.0002507800000000,  0.0000163500000000,  0.0002175700000000 ]  - [  -0.0001874500000000,  0.0000000000000000,  0.0002508800000000 ]  - [  -0.0001741600000000,  0.0000000000000000,  0.0001501100000000 ]  - [  -0.0001881800000000, -0.0000123400000000,  0.0002278500000000 ]  - [  -0.0001834000000000,  0.0000077500000000,  0.0001599700000000 ]  - [  -0.0001881800000000,  0.0000123400000000,  0.0002278500000000 ]  - [  -0.0001834000000000, -0.0000077500000000,  0.0001599700000000 ]  - [   0.2726552400000000,  0.0000000000000000,  0.0329197400000000 ]  - [   0.0005680700000000,  0.0000000000000000,  0.0003211200000000 ]  - [   0.0000628800000000, -0.0009694200000000,  0.0003448900000000 ]  - [   0.0005718200000000,  0.0000044300000000,  0.0003235900000000 ]  - [   0.0000628800000000,  0.0009694200000000,  0.0003448900000000 ]  - [   0.0005718200000000, -0.0000044300000000,  0.0003235900000000 ]  - [   0.0006292000000000,  0.0000000000000000,  0.0003720400000000 ]  - [   0.0005713200000000,  0.0000000000000000,  0.0003237600000000 ]  - [   0.0006325700000000, -0.0000079200000000,  0.0003825600000000 ]  - [   0.0005747800000000,  0.0000041700000000,  0.0003234900000000 ]  - [   0.0006325700000000,  0.0000079200000000,  0.0003825600000000 ]  - [   0.0005747800000000, -0.0000041700000000,  0.0003234900000000 ]  - [  -0.0006092300000000,  0.0000042900000000, -0.0003382700000000 ]  - [  -0.0006150100000000, -0.0000241600000000, -0.0003721900000000 ]  - [  -0.0006092300000000, -0.0000042900000000, -0.0003382700000000 ]  - [  -0.0006150100000000,  0.0000241600000000, -0.0003721900000000 ]  - [  -0.0006032500000000,  0.0000000000000000, -0.0003363000000000 ]  - [  -0.0006059200000000,  0.0000000000000000, -0.0003375600000000 ]  - [  -0.0006194300000000,  0.0000023800000000, -0.0003388300000000 ]  - [   0.0127108700000000, -0.0012775900000000,  0.0009259400000000 ]  - [  -0.0006194300000000, -0.0000023800000000, -0.0003388300000000 ]  - [   0.0127108700000000,  0.0012775900000000,  0.0009259400000000 ]  - [  -0.0006089700000000,  0.0000000000000000, -0.0003364300000000 ]  - [  -0.0014960500000000,  0.0000000000000000, -0.0004902000000000 ]  - [  -0.0005843200000000, -0.0000719200000000,  0.0003720800000000 ]  - [  -0.0006178800000000,  0.0000323700000000,  0.0003435800000000 ]  - [  -0.0005843200000000,  0.0000719200000000,  0.0003720800000000 ]  - [  -0.0006178800000000, -0.0000323700000000,  0.0003435800000000 ]  - [  -0.0005066200000000,  0.0000000000000000,  0.0003580800000000 ]  - [  -0.0006277100000000,  0.0000000000000000,  0.0003526500000000 ]  - [  -0.0004455500000000,  0.0001441500000000,  0.0006320100000000 ]  - [  -0.0006194300000000,  0.0000083100000000,  0.0004007900000000 ]  - [  -0.0004455500000000, -0.0001441500000000,  0.0006320100000000 ]  - [  -0.0006194300000000, -0.0000083100000000,  0.0004007900000000 ]  - [  -0.0005083200000000,  0.0000000000000000,  0.0003402200000000 ]  - [  -0.0006346000000000,  0.0000000000000000,  0.0003286200000000 ]  - [   0.0008169300000000,  0.0000000000000000, -0.0011562900000000 ]  - [   0.0005266100000000,  0.0000000000000000, -0.0003700000000000 ]  - [   0.0005495800000000,  0.0000508100000000, -0.0003291100000000 ]  - [   0.0006410500000000,  0.0000291000000000, -0.0003490200000000 ]  - [   0.0005495800000000, -0.0000508100000000, -0.0003291100000000 ]  - [   0.0006410500000000, -0.0000291000000000, -0.0003490200000000 ]  - [   0.0005126200000000,  0.0000000000000000, -0.0003971900000000 ]  - [   0.0005757200000000,  0.0000000000000000, -0.0003403000000000 ]  - [   0.0006066900000000,  0.0000490600000000, -0.0003195800000000 ]  - [   0.0006009100000000, -0.0000137900000000, -0.0003322800000000 ]  - [   0.0006066900000000, -0.0000490600000000, -0.0003195800000000 ]  - [   0.0006009100000000,  0.0000137900000000, -0.0003322800000000 ]- atom:    1  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.2833523200000000,  0.0000000000000000,  0.0294786500000000 ]  - [  -0.0000981800000000,  0.0000000000000000, -0.0010089800000000 ]  - [   0.0003371500000000, -0.0008350200000000, -0.0012092100000000 ]  - [  -0.0000941300000000,  0.0000040800000000, -0.0010064700000000 ]  - [   0.0003371500000000,  0.0008350200000000, -0.0012092100000000 ]  - [  -0.0000941300000000, -0.0000040800000000, -0.0010064700000000 ]  - [  -0.0000088400000000,  0.0000000000000000, -0.0009789100000000 ]  - [  -0.0000949300000000,  0.0000000000000000, -0.0010100100000000 ]  - [  -0.0000181000000000, -0.0000067700000000, -0.0009869500000000 ]  - [  -0.0000942200000000,  0.0000023800000000, -0.0010086000000000 ]  - [  -0.0000181000000000,  0.0000067700000000, -0.0009869500000000 ]  - [  -0.0000942200000000, -0.0000023800000000, -0.0010086000000000 ]  - [   0.0000246600000000,  0.0000037000000000,  0.0009936500000000 ]  - [   0.0000969100000000, -0.0000053600000000,  0.0010031400000000 ]  - [   0.0000246600000000, -0.0000037000000000,  0.0009936500000000 ]  - [   0.0000969100000000,  0.0000053600000000,  0.0010031400000000 ]  - [   0.0000282500000000,  0.0000000000000000,  0.0009991100000000 ]  - [   0.0000943400000000,  0.0000000000000000,  0.0010020700000000 ]  - [   0.0000211000000000,  0.0000039100000000,  0.0009959500000000 ]  - [   0.0003886200000000,  0.0018794900000000,  0.0024025700000000 ]  - [   0.0000211000000000, -0.0000039100000000,  0.0009959500000000 ]  - [   0.0003886200000000, -0.0018794900000000,  0.0024025700000000 ]  - [   0.0000230400000000,  0.0000000000000000,  0.0009995900000000 ]  - [   0.0002364500000000,  0.0000000000000000,  0.0009186300000000 ]  - [   0.0000250600000000,  0.0001285700000000, -0.0012611300000000 ]  - [   0.0000270500000000,  0.0000172200000000, -0.0010071000000000 ]  - [   0.0000250600000000, -0.0001285700000000, -0.0012611300000000 ]  - [   0.0000270500000000, -0.0000172200000000, -0.0010071000000000 ]  - [   0.0000593300000000,  0.0000000000000000, -0.0010099900000000 ]  - [   0.0000348800000000,  0.0000000000000000, -0.0010049700000000 ]  - [   0.0000241900000000,  0.0000903600000000, -0.0007494800000000 ]  - [   0.0000286000000000,  0.0000046400000000, -0.0009620300000000 ]  - [   0.0000241900000000, -0.0000903600000000, -0.0007494800000000 ]  - [   0.0000286000000000, -0.0000046400000000, -0.0009620300000000 ]  - [   0.0000586500000000,  0.0000000000000000, -0.0010003700000000 ]  - [   0.0000345500000000,  0.0000000000000000, -0.0009942600000000 ]  - [  -0.0001649300000000,  0.0000000000000000,  0.0009997700000000 ]  - [  -0.0001636600000000,  0.0000000000000000,  0.0010947800000000 ]  - [  -0.0000879200000000,  0.0000239700000000,  0.0010116700000000 ]  - [  -0.0000891900000000,  0.0000170100000000,  0.0010405300000000 ]  - [  -0.0000879200000000, -0.0000239700000000,  0.0010116700000000 ]  - [  -0.0000891900000000, -0.0000170100000000,  0.0010405300000000 ]  - [  -0.0001048000000000,  0.0000000000000000,  0.0009940100000000 ]  - [  -0.0001081300000000,  0.0000000000000000,  0.0009243300000000 ]  - [  -0.0000919800000000,  0.0000300300000000,  0.0009956700000000 ]  - [  -0.0000929800000000,  0.0000243300000000,  0.0009521800000000 ]  - [  -0.0000919800000000, -0.0000300300000000,  0.0009956700000000 ]  - [  -0.0000929800000000, -0.0000243300000000,  0.0009521800000000 ]  - [  -0.0055725500000000,  0.0000000000000000, -0.0006269600000000 ]  - [  -0.0001818600000000,  0.0000000000000000, -0.0001850500000000 ]  - [  -0.0002377500000000, -0.0000504600000000, -0.0001967000000000 ]  - [  -0.0001834100000000,  0.0000002600000000, -0.0001863600000000 ]  - [  -0.0002377500000000,  0.0000504600000000, -0.0001967000000000 ]  - [  -0.0001834100000000, -0.0000002600000000, -0.0001863600000000 ]  - [  -0.0002386800000000,  0.0000000000000000, -0.0001770200000000 ]  - [  -0.0001799300000000,  0.0000000000000000, -0.0001845200000000 ]  - [  -0.0002150100000000, -0.0000016200000000, -0.0001831000000000 ]  - [  -0.0001817800000000,  0.0000006100000000, -0.0001825800000000 ]  - [  -0.0002150100000000,  0.0000016200000000, -0.0001831000000000 ]  - [  -0.0001817800000000, -0.0000006100000000, -0.0001825800000000 ]  - [   0.0002151000000000,  0.0000003700000000,  0.0001861600000000 ]  - [   0.0001505800000000, -0.0000120300000000,  0.0001662900000000 ]  - [   0.0002151000000000, -0.0000003700000000,  0.0001861600000000 ]  - [   0.0001505800000000,  0.0000120300000000,  0.0001662900000000 ]  - [   0.0002124700000000,  0.0000000000000000,  0.0001848800000000 ]  - [   0.0001756200000000,  0.0000000000000000,  0.0001884700000000 ]  - [   0.0002117800000000,  0.0000002300000000,  0.0001814200000000 ]  - [   0.0006928200000000, -0.0002060600000000,  0.0003621900000000 ]  - [   0.0002117800000000, -0.0000002300000000,  0.0001814200000000 ]  - [   0.0006928200000000,  0.0002060600000000,  0.0003621900000000 ]  - [   0.0002115500000000,  0.0000000000000000,  0.0001839000000000 ]  - [   0.0001330500000000,  0.0000000000000000,  0.0002016800000000 ]  - [   0.0001380800000000,  0.0000328800000000, -0.0001504400000000 ]  - [   0.0001887700000000,  0.0000088500000000, -0.0002146900000000 ]  - [   0.0001380800000000, -0.0000328800000000, -0.0001504400000000 ]  - [   0.0001887700000000, -0.0000088500000000, -0.0002146900000000 ]  - [   0.0002053000000000,  0.0000000000000000, -0.0001592200000000 ]  - [   0.0001858300000000,  0.0000000000000000, -0.0002087900000000 ]  - [   0.0003647000000000,  0.0000360900000000, -0.0001560700000000 ]  - [   0.0002575500000000, -0.0000074100000000, -0.0001233300000000 ]  - [   0.0003647000000000, -0.0000360900000000, -0.0001560700000000 ]  - [   0.0002575500000000,  0.0000074100000000, -0.0001233300000000 ]  - [   0.0002164300000000,  0.0000000000000000, -0.0001953800000000 ]  - [   0.0002130000000000,  0.0000000000000000, -0.0001704600000000 ]  - [   0.0000154000000000,  0.0000000000000000, -0.0000994800000000 ]  - [  -0.0001230100000000,  0.0000000000000000,  0.0001204500000000 ]  - [  -0.0001469700000000, -0.0000575700000000,  0.0001876500000000 ]  - [  -0.0001431400000000,  0.0000166000000000,  0.0001507900000000 ]  - [  -0.0001469700000000,  0.0000575700000000,  0.0001876500000000 ]  - [  -0.0001431400000000, -0.0000166000000000,  0.0001507900000000 ]  - [  -0.0002075900000000,  0.0000000000000000,  0.0001167100000000 ]  - [  -0.0002212600000000,  0.0000000000000000,  0.0002172100000000 ]  - [  -0.0002066900000000,  0.0000131600000000,  0.0001381000000000 ]  - [  -0.0002119600000000, -0.0000078200000000,  0.0002091100000000 ]  - [  -0.0002066900000000, -0.0000131600000000,  0.0001381000000000 ]  - [  -0.0002119600000000,  0.0000078200000000,  0.0002091100000000 ]  - [  -0.2545341200000000,  0.0000000000000000, -0.0297844600000000 ]  - [   0.0006164600000000,  0.0000000000000000,  0.0003383000000000 ]  - [   0.0011073400000000,  0.0009804300000000,  0.0003271500000000 ]  - [   0.0006114900000000, -0.0000034800000000,  0.0003376500000000 ]  - [   0.0011073400000000, -0.0009804300000000,  0.0003271500000000 ]  - [   0.0006114900000000,  0.0000034800000000,  0.0003376500000000 ]  - [   0.0005556500000000,  0.0000000000000000,  0.0002837400000000 ]  - [   0.0006111100000000,  0.0000000000000000,  0.0003387300000000 ]  - [   0.0005523100000000,  0.0000077700000000,  0.0002730700000000 ]  - [   0.0006094200000000, -0.0000036800000000,  0.0003365800000000 ]  - [   0.0005523100000000, -0.0000077700000000,  0.0002730700000000 ]  - [   0.0006094200000000,  0.0000036800000000,  0.0003365800000000 ]  - [  -0.0005747400000000, -0.0000027900000000, -0.0003210100000000 ]  - [  -0.0005701600000000,  0.0000251500000000, -0.0002840700000000 ]  - [  -0.0005747400000000,  0.0000027900000000, -0.0003210100000000 ]  - [  -0.0005701600000000, -0.0000251500000000, -0.0002840700000000 ]  - [  -0.0005800400000000,  0.0000000000000000, -0.0003238000000000 ]  - [  -0.0005795700000000,  0.0000000000000000, -0.0003194300000000 ]  - [  -0.0005632700000000, -0.0000046800000000, -0.0003210100000000 ]  - [  -0.0139766800000000,  0.0013015600000000, -0.0015851400000000 ]  - [  -0.0005632700000000,  0.0000046800000000, -0.0003210100000000 ]  - [  -0.0139766800000000, -0.0013015600000000, -0.0015851400000000 ]  - [  -0.0005745900000000,  0.0000000000000000, -0.0003235500000000 ]  - [   0.0003230200000000,  0.0000000000000000, -0.0001761100000000 ]  - [  -0.0006025600000000,  0.0000732200000000,  0.0002848000000000 ]  - [  -0.0005664100000000, -0.0000331000000000,  0.0003159000000000 ]  - [  -0.0006025600000000, -0.0000732200000000,  0.0002848000000000 ]  - [  -0.0005664100000000,  0.0000331000000000,  0.0003159000000000 ]  - [  -0.0006830000000000,  0.0000000000000000,  0.0002987700000000 ]  - [  -0.0005567100000000,  0.0000000000000000,  0.0003064700000000 ]  - [  -0.0007470600000000, -0.0001491400000000,  0.0000174200000000 ]  - [  -0.0005653800000000, -0.0000089700000000,  0.0002565100000000 ]  - [  -0.0007470600000000,  0.0001491400000000,  0.0000174200000000 ]  - [  -0.0005653800000000,  0.0000089700000000,  0.0002565100000000 ]  - [  -0.0006798200000000,  0.0000000000000000,  0.0003183800000000 ]  - [  -0.0005488700000000,  0.0000000000000000,  0.0003314000000000 ]  - [   0.0003578200000000,  0.0000000000000000,  0.0005276800000000 ]  - [   0.0006592800000000,  0.0000000000000000, -0.0002883300000000 ]  - [   0.0006367600000000, -0.0000525000000000, -0.0003308000000000 ]  - [   0.0005430100000000, -0.0000299300000000, -0.0003102900000000 ]  - [   0.0006367600000000,  0.0000525000000000, -0.0003308000000000 ]  - [   0.0005430100000000,  0.0000299300000000, -0.0003102900000000 ]  - [   0.0006743000000000,  0.0000000000000000, -0.0002609300000000 ]  - [   0.0006092500000000,  0.0000000000000000, -0.0003191600000000 ]  - [   0.0005787400000000, -0.0000502600000000, -0.0003408300000000 ]  - [   0.0005836100000000,  0.0000154200000000, -0.0003275700000000 ]  - [   0.0005787400000000,  0.0000502600000000, -0.0003408300000000 ]  - [   0.0005836100000000, -0.0000154200000000, -0.0003275700000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0007630000000000, -0.0480614900000000, -0.0008535700000000 ]  - [  -0.0000629300000000,  0.0000121000000000, -0.0010030000000000 ]  - [  -0.0008962900000000,  0.0001971600000000, -0.0010831900000000 ]  - [  -0.0000548600000000, -0.0000060700000000, -0.0010016400000000 ]  - [   0.0007666600000000,  0.0002005000000000, -0.0009265200000000 ]  - [  -0.0000644800000000, -0.0000061000000000, -0.0010034100000000 ]  - [  -0.0000601600000000, -0.0000110800000000, -0.0010024600000000 ]  - [  -0.0000583500000000,  0.0000055500000000, -0.0010023100000000 ]  - [  -0.0000670200000000,  0.0000056900000000, -0.0010115100000000 ]  - [  -0.0000584600000000, -0.0000026200000000, -0.0009987500000000 ]  - [  -0.0000540500000000,  0.0000058800000000, -0.0009934900000000 ]  - [  -0.0000635500000000, -0.0000028800000000, -0.0010066800000000 ]  - [   0.0000555500000000, -0.0000035200000000,  0.0010002900000000 ]  - [   0.0000657800000000,  0.0000043200000000,  0.0010068700000000 ]  - [   0.0000646600000000, -0.0000036300000000,  0.0010044900000000 ]  - [   0.0000559200000000,  0.0000043900000000,  0.0009983000000000 ]  - [   0.0000601000000000,  0.0000071700000000,  0.0010025600000000 ]  - [   0.0000612700000000, -0.0000083200000000,  0.0010025200000000 ]  - [   0.0000565400000000, -0.0000052300000000,  0.0009955400000000 ]  - [  -0.0017926200000000,  0.0039711600000000,  0.0030864300000000 ]  - [   0.0000654700000000, -0.0000057000000000,  0.0010100800000000 ]  - [   0.0019504800000000,  0.0039725800000000, -0.0010834800000000 ]  - [   0.0000590100000000,  0.0000111000000000,  0.0010025500000000 ]  - [   0.0000574400000000, -0.0001627700000000,  0.0010024300000000 ]  - [  -0.0000288200000000,  0.0000202400000000, -0.0011103200000000 ]  - [   0.0000568400000000, -0.0000077400000000, -0.0010014900000000 ]  - [   0.0001503900000000,  0.0000169200000000, -0.0008984700000000 ]  - [   0.0000623800000000, -0.0000076000000000, -0.0010038500000000 ]  - [   0.0000621300000000,  0.0000157500000000, -0.0010022500000000 ]  - [   0.0000597600000000,  0.0000188700000000, -0.0010026500000000 ]  - [  -0.0000665400000000,  0.0000196400000000, -0.0008330400000000 ]  - [   0.0000431100000000, -0.0000075900000000, -0.0009504600000000 ]  - [   0.0001888500000000,  0.0000175500000000, -0.0011716500000000 ]  - [   0.0000789000000000, -0.0000076700000000, -0.0010548700000000 ]  - [   0.0000612200000000,  0.0000157400000000, -0.0010034800000000 ]  - [   0.0000590100000000,  0.0000188200000000, -0.0010023500000000 ]  - [  -0.0000626900000000,  0.0000481800000000,  0.0010064100000000 ]  - [  -0.0000608200000000,  0.0000482500000000,  0.0010026300000000 ]  - [  -0.0000429300000000, -0.0000188800000000,  0.0009711000000000 ]  - [  -0.0000361300000000, -0.0000192700000000,  0.0009584600000000 ]  - [  -0.0000773000000000, -0.0000194500000000,  0.0010335100000000 ]  - [  -0.0000844200000000, -0.0000191400000000,  0.0010476800000000 ]  - [  -0.0000592500000000,  0.0000582400000000,  0.0010028000000000 ]  - [  -0.0000614600000000,  0.0000582200000000,  0.0010022700000000 ]  - [  -0.0000373600000000, -0.0000325100000000,  0.0010108000000000 ]  - [  -0.0000312900000000, -0.0000328200000000,  0.0010647300000000 ]  - [  -0.0000838500000000, -0.0000332600000000,  0.0009947300000000 ]  - [  -0.0000898100000000, -0.0000329000000000,  0.0009397100000000 ]  - [  -0.0002098100000000,  0.0007709300000000, -0.0001930700000000 ]  - [  -0.0001967100000000,  0.0000004700000000, -0.0001817000000000 ]  - [  -0.0002297600000000,  0.0000506800000000, -0.0001458800000000 ]  - [  -0.0001983200000000, -0.0000002200000000, -0.0001839800000000 ]  - [  -0.0001669900000000,  0.0000539500000000, -0.0002219500000000 ]  - [  -0.0001962900000000, -0.0000001300000000, -0.0001854200000000 ]  - [  -0.0001973600000000,  0.0000112200000000, -0.0001831900000000 ]  - [  -0.0001976000000000,  0.0000012900000000, -0.0001859200000000 ]  - [  -0.0001868900000000, -0.0000046500000000, -0.0001853900000000 ]  - [  -0.0002011200000000, -0.0000005300000000, -0.0001830400000000 ]  - [  -0.0002074300000000, -0.0000049100000000, -0.0001805600000000 ]  - [  -0.0001932700000000, -0.0000007200000000, -0.0001836200000000 ]  - [   0.0001988900000000, -0.0000006400000000,  0.0001849100000000 ]  - [   0.0001831400000000, -0.0000052700000000,  0.0001991500000000 ]  - [   0.0001964000000000, -0.0000006600000000,  0.0001824500000000 ]  - [   0.0002105000000000, -0.0000057400000000,  0.0001678900000000 ]  - [   0.0001975200000000,  0.0000013500000000,  0.0001836400000000 ]  - [   0.0001968600000000,  0.0000045100000000,  0.0001830700000000 ]  - [   0.0001988600000000, -0.0000003000000000,  0.0001820600000000 ]  - [   0.0008532100000000, -0.0009697500000000, -0.0000177900000000 ]  - [   0.0001955600000000, -0.0000003700000000,  0.0001831000000000 ]  - [  -0.0004584700000000, -0.0009697600000000,  0.0003871100000000 ]  - [   0.0001975900000000,  0.0000007500000000,  0.0001846500000000 ]  - [   0.0001971700000000, -0.0000192100000000,  0.0001856500000000 ]  - [   0.0001331300000000,  0.0000127900000000, -0.0001634200000000 ]  - [   0.0001956100000000, -0.0000139500000000, -0.0001899000000000 ]  - [   0.0002613200000000,  0.0000145400000000, -0.0002008200000000 ]  - [   0.0001989000000000, -0.0000138400000000, -0.0001785600000000 ]  - [   0.0001976400000000, -0.0000248500000000, -0.0001824200000000 ]  - [   0.0001972700000000,  0.0000269100000000, -0.0001840900000000 ]  - [   0.0004737200000000,  0.0000362500000000, -0.0003540900000000 ]  - [   0.0002791800000000,  0.0000189100000000, -0.0001190600000000 ]  - [  -0.0000752200000000,  0.0000321300000000, -0.0000136900000000 ]  - [   0.0001151000000000,  0.0000188300000000, -0.0002459400000000 ]  - [   0.0001968600000000,  0.0000260300000000, -0.0001830100000000 ]  - [   0.0001977200000000, -0.0000334300000000, -0.0001844500000000 ]  - [  -0.0001904200000000, -0.0001616600000000,  0.0001860400000000 ]  - [  -0.0001970500000000,  0.0000448900000000,  0.0001841100000000 ]  - [  -0.0002264900000000,  0.0000364400000000,  0.0001149000000000 ]  - [  -0.0002658700000000, -0.0000262900000000,  0.0002218300000000 ]  - [  -0.0001686800000000,  0.0000378000000000,  0.0002519200000000 ]  - [  -0.0001285200000000, -0.0000260800000000,  0.0001459500000000 ]  - [  -0.0001975900000000,  0.0000832000000000,  0.0001839900000000 ]  - [  -0.0001976800000000, -0.0000261000000000,  0.0001831500000000 ]  - [  -0.0001805200000000, -0.0000477200000000,  0.0002146100000000 ]  - [  -0.0001707400000000,  0.0000121900000000,  0.0001676300000000 ]  - [  -0.0002144700000000, -0.0000491200000000,  0.0001512000000000 ]  - [  -0.0002245900000000,  0.0000120700000000,  0.0002004800000000 ]  - [  -0.0004078800000000,  0.0388790200000000,  0.0002930400000000 ]  - [   0.0005918000000000, -0.0000130400000000,  0.0003301000000000 ]  - [   0.0021631700000000, -0.0018556900000000,  0.0004536300000000 ]  - [   0.0005845300000000,  0.0000068500000000,  0.0003296500000000 ]  - [  -0.0009432800000000, -0.0018768100000000,  0.0002055600000000 ]  - [   0.0005981400000000,  0.0000060300000000,  0.0003318700000000 ]  - [   0.0005920100000000,  0.0000019800000000,  0.0003277200000000 ]  - [   0.0005908100000000, -0.0000088100000000,  0.0003315700000000 ]  - [   0.0005980100000000, -0.0000024100000000,  0.0003452000000000 ]  - [   0.0005893900000000,  0.0000047200000000,  0.0003280200000000 ]  - [   0.0005862100000000, -0.0000017500000000,  0.0003103600000000 ]  - [   0.0005940600000000,  0.0000042500000000,  0.0003327200000000 ]  - [  -0.0005839400000000,  0.0000041400000000, -0.0003304100000000 ]  - [  -0.0005924800000000, -0.0000005800000000, -0.0003397700000000 ]  - [  -0.0005995000000000,  0.0000027400000000, -0.0003298600000000 ]  - [  -0.0005920800000000, -0.0000007200000000, -0.0003171200000000 ]  - [  -0.0005913900000000, -0.0000069400000000, -0.0003304800000000 ]  - [  -0.0005922900000000,  0.0000051700000000, -0.0003277900000000 ]  - [  -0.0005728400000000,  0.0000035000000000, -0.0003259500000000 ]  - [  -0.0263365200000000,  0.0027201900000000, -0.0037532400000000 ]  - [  -0.0006090100000000,  0.0000055300000000, -0.0003344500000000 ]  - [   0.0252748000000000,  0.0027946200000000,  0.0029999300000000 ]  - [  -0.0005916400000000, -0.0000089400000000, -0.0003303200000000 ]  - [  -0.0005849200000000,  0.0002355800000000, -0.0003329100000000 ]  - [  -0.0004125600000000, -0.0000032900000000,  0.0002807800000000 ]  - [  -0.0005766600000000,  0.0000321100000000,  0.0003374500000000 ]  - [  -0.0007751100000000, -0.0000061000000000,  0.0003783400000000 ]  - [  -0.0006069500000000,  0.0000318100000000,  0.0003231600000000 ]  - [  -0.0005953000000000,  0.0000351100000000,  0.0003283500000000 ]  - [  -0.0005919200000000, -0.0000651200000000,  0.0003303200000000 ]  - [  -0.0005810400000000, -0.0000740500000000,  0.0005849100000000 ]  - [  -0.0006371500000000,  0.0000212400000000,  0.0002352500000000 ]  - [  -0.0006103200000000, -0.0000677900000000,  0.0000771600000000 ]  - [  -0.0005466200000000,  0.0000215900000000,  0.0004242100000000 ]  - [  -0.0005938700000000,  0.0000171300000000,  0.0003295000000000 ]  - [  -0.0005918300000000, -0.0000331900000000,  0.0003303500000000 ]  - [   0.0005900300000000, -0.0000296200000000, -0.0003352700000000 ]  - [   0.0005921400000000, -0.0000624500000000, -0.0003305000000000 ]  - [   0.0006020500000000,  0.0000150800000000, -0.0002120500000000 ]  - [   0.0006072100000000,  0.0000412300000000, -0.0003800000000000 ]  - [   0.0005842000000000,  0.0000170300000000, -0.0004458000000000 ]  - [   0.0005771900000000,  0.0000413400000000, -0.0002807900000000 ]  - [   0.0005942700000000, -0.0002125800000000, -0.0003297700000000 ]  - [   0.0005924100000000,  0.0000480600000000, -0.0003301700000000 ]  - [   0.0006240800000000,  0.0001242000000000, -0.0002397000000000 ]  - [   0.0005402900000000, -0.0000268000000000, -0.0003439600000000 ]  - [   0.0005621900000000,  0.0001265400000000, -0.0004228900000000 ]  - [   0.0006447900000000, -0.0000281100000000, -0.0003164600000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0310172400000000,  0.0000000000000000, -0.0482107100000000 ]  - [  -0.0000571400000000,  0.0000000000000000, -0.0009762700000000 ]  - [   0.0001479100000000,  0.0000735500000000, -0.0012400500000000 ]  - [  -0.0000566400000000, -0.0000008000000000, -0.0009859600000000 ]  - [   0.0001479100000000, -0.0000735500000000, -0.0012400500000000 ]  - [  -0.0000566400000000,  0.0000008000000000, -0.0009859600000000 ]  - [  -0.0000849800000000,  0.0000000000000000, -0.0009473200000000 ]  - [  -0.0000515200000000,  0.0000000000000000, -0.0010221000000000 ]  - [  -0.0000770200000000,  0.0000090600000000, -0.0009583500000000 ]  - [  -0.0000558200000000, -0.0000038200000000, -0.0010192100000000 ]  - [  -0.0000770200000000, -0.0000090600000000, -0.0009583500000000 ]  - [  -0.0000558200000000,  0.0000038200000000, -0.0010192100000000 ]  - [   0.0000700200000000, -0.0000020000000000,  0.0010503800000000 ]  - [   0.0000607100000000,  0.0000044100000000,  0.0009754600000000 ]  - [   0.0000700200000000,  0.0000020000000000,  0.0010503800000000 ]  - [   0.0000607100000000, -0.0000044100000000,  0.0009754600000000 ]  - [   0.0000649000000000,  0.0000000000000000,  0.0010374200000000 ]  - [   0.0000623200000000,  0.0000000000000000,  0.0009844800000000 ]  - [   0.0000686100000000, -0.0000070300000000,  0.0009534600000000 ]  - [  -0.0013194800000000,  0.0020803200000000,  0.0012091900000000 ]  - [   0.0000686100000000,  0.0000070300000000,  0.0009534600000000 ]  - [  -0.0013194800000000, -0.0020803200000000,  0.0012091900000000 ]  - [   0.0000633300000000,  0.0000000000000000,  0.0009684200000000 ]  - [   0.0001438100000000,  0.0000000000000000,  0.0010698800000000 ]  - [   0.0003151300000000, -0.0001713200000000, -0.0007607300000000 ]  - [   0.0001007300000000, -0.0000520600000000, -0.0009805900000000 ]  - [   0.0003151300000000,  0.0001713200000000, -0.0007607300000000 ]  - [   0.0001007300000000,  0.0000520600000000, -0.0009805900000000 ]  - [   0.0000649700000000,  0.0000000000000000, -0.0009923100000000 ]  - [   0.0000689300000000,  0.0000000000000000, -0.0009976500000000 ]  - [  -0.0001914700000000,  0.0001054100000000, -0.0007617100000000 ]  - [   0.0000574700000000, -0.0000014000000000, -0.0009808200000000 ]  - [  -0.0001914700000000, -0.0001054100000000, -0.0007617100000000 ]  - [   0.0000574700000000,  0.0000014000000000, -0.0009808200000000 ]  - [   0.0000537000000000,  0.0000000000000000, -0.0009918900000000 ]  - [   0.0000581800000000,  0.0000000000000000, -0.0009976500000000 ]  - [   0.0000280200000000,  0.0000000000000000,  0.0008407800000000 ]  - [  -0.0000656700000000,  0.0000000000000000,  0.0008373100000000 ]  - [  -0.0000236700000000, -0.0000450900000000,  0.0010173200000000 ]  - [  -0.0000515200000000, -0.0000312100000000,  0.0010165300000000 ]  - [  -0.0000236700000000,  0.0000450900000000,  0.0010173200000000 ]  - [  -0.0000515200000000,  0.0000312100000000,  0.0010165300000000 ]  - [  -0.0001377800000000,  0.0000000000000000,  0.0009600600000000 ]  - [  -0.0000701000000000,  0.0000000000000000,  0.0009598200000000 ]  - [  -0.0001110500000000,  0.0000621500000000,  0.0009630300000000 ]  - [  -0.0000679900000000,  0.0000080600000000,  0.0009626800000000 ]  - [  -0.0001110500000000, -0.0000621500000000,  0.0009630300000000 ]  - [  -0.0000679900000000, -0.0000080600000000,  0.0009626800000000 ]  - [   0.0275145400000000,  0.0000000000000000,  0.0045415700000000 ]  - [  -0.0002276000000000,  0.0000000000000000, -0.0001645100000000 ]  - [  -0.0000502800000000, -0.0000257500000000, -0.0001538800000000 ]  - [  -0.0002194900000000,  0.0000008900000000, -0.0001714400000000 ]  - [  -0.0000502800000000,  0.0000257500000000, -0.0001538800000000 ]  - [  -0.0002194900000000, -0.0000008900000000, -0.0001714400000000 ]  - [  -0.0002898400000000,  0.0000000000000000, -0.0001913400000000 ]  - [  -0.0001772500000000,  0.0000000000000000, -0.0002007700000000 ]  - [  -0.0002498500000000,  0.0000118900000000, -0.0001733200000000 ]  - [  -0.0001792300000000, -0.0000011700000000, -0.0001963400000000 ]  - [  -0.0002498500000000, -0.0000118900000000, -0.0001733200000000 ]  - [  -0.0001792300000000,  0.0000011700000000, -0.0001963400000000 ]  - [   0.0001626200000000, -0.0000026300000000,  0.0001698300000000 ]  - [   0.0003170400000000,  0.0000942900000000,  0.0001330100000000 ]  - [   0.0001626200000000,  0.0000026300000000,  0.0001698300000000 ]  - [   0.0003170400000000, -0.0000942900000000,  0.0001330100000000 ]  - [   0.0001703700000000,  0.0000000000000000,  0.0001713900000000 ]  - [   0.0002262500000000,  0.0000000000000000,  0.0001617300000000 ]  - [   0.0002264200000000,  0.0000014000000000,  0.0001965500000000 ]  - [  -0.0000032900000000, -0.0006507700000000, -0.0003184400000000 ]  - [   0.0002264200000000, -0.0000014000000000,  0.0001965500000000 ]  - [  -0.0000032900000000,  0.0006507700000000, -0.0003184400000000 ]  - [   0.0002207500000000,  0.0000000000000000,  0.0001954200000000 ]  - [   0.0001417800000000,  0.0000000000000000,  0.0002490900000000 ]  - [   0.0003498700000000,  0.0000543500000000, -0.0002762000000000 ]  - [   0.0001736000000000, -0.0000037000000000, -0.0001852900000000 ]  - [   0.0003498700000000, -0.0000543500000000, -0.0002762000000000 ]  - [   0.0001736000000000,  0.0000037000000000, -0.0001852900000000 ]  - [   0.0002102100000000,  0.0000000000000000, -0.0002085600000000 ]  - [   0.0001846600000000,  0.0000000000000000, -0.0001927000000000 ]  - [   0.0003603600000000,  0.0000670400000000, -0.0003033300000000 ]  - [   0.0002417300000000,  0.0000035200000000, -0.0001474000000000 ]  - [   0.0003603600000000, -0.0000670400000000, -0.0003033300000000 ]  - [   0.0002417300000000, -0.0000035200000000, -0.0001474000000000 ]  - [   0.0001861200000000,  0.0000000000000000, -0.0001643600000000 ]  - [   0.0002135800000000,  0.0000000000000000, -0.0001683800000000 ]  - [  -0.0005725200000000,  0.0000000000000000, -0.0001436900000000 ]  - [  -0.0001102300000000,  0.0000000000000000,  0.0001361800000000 ]  - [  -0.0002355200000000,  0.0000230900000000,  0.0001654500000000 ]  - [  -0.0001517900000000,  0.0000052900000000,  0.0001545800000000 ]  - [  -0.0002355200000000, -0.0000230900000000,  0.0001654500000000 ]  - [  -0.0001517900000000, -0.0000052900000000,  0.0001545800000000 ]  - [  -0.0001872700000000,  0.0000000000000000,  0.0001271500000000 ]  - [  -0.0002147700000000,  0.0000000000000000,  0.0002041100000000 ]  - [  -0.0001968000000000,  0.0000447200000000,  0.0001457300000000 ]  - [  -0.0002161900000000, -0.0000042200000000,  0.0002002300000000 ]  - [  -0.0001968000000000, -0.0000447200000000,  0.0001457300000000 ]  - [  -0.0002161900000000,  0.0000042200000000,  0.0002002300000000 ]  - [   0.0323151200000000,  0.0000000000000000,  0.0451276500000000 ]  - [   0.0005862900000000,  0.0000000000000000,  0.0003135500000000 ]  - [   0.0008148900000000,  0.0005216800000000,  0.0002452200000000 ]  - [   0.0005913800000000,  0.0000017400000000,  0.0003257000000000 ]  - [   0.0008148900000000, -0.0005216800000000,  0.0002452200000000 ]  - [   0.0005913800000000, -0.0000017400000000,  0.0003257000000000 ]  - [   0.0007026900000000,  0.0000000000000000,  0.0003939900000000 ]  - [   0.0005864800000000,  0.0000000000000000,  0.0003426900000000 ]  - [   0.0006698800000000, -0.0000330400000000,  0.0003712500000000 ]  - [   0.0005896800000000,  0.0000061000000000,  0.0003365400000000 ]  - [   0.0006698800000000,  0.0000330400000000,  0.0003712500000000 ]  - [   0.0005896800000000, -0.0000061000000000,  0.0003365400000000 ]  - [  -0.0005918600000000,  0.0000068700000000, -0.0003382700000000 ]  - [  -0.0006879300000000, -0.0000634400000000, -0.0004073900000000 ]  - [  -0.0005918600000000, -0.0000068700000000, -0.0003382700000000 ]  - [  -0.0006879300000000,  0.0000634400000000, -0.0004073900000000 ]  - [  -0.0005813800000000,  0.0000000000000000, -0.0003354700000000 ]  - [  -0.0006412000000000,  0.0000000000000000, -0.0003057100000000 ]  - [  -0.0006040400000000, -0.0000002000000000, -0.0003251100000000 ]  - [  -0.0137572200000000,  0.0012115400000000, -0.0010301300000000 ]  - [  -0.0006040400000000,  0.0000002000000000, -0.0003251100000000 ]  - [  -0.0137572200000000, -0.0012115400000000, -0.0010301300000000 ]  - [  -0.0005996900000000,  0.0000000000000000, -0.0003309100000000 ]  - [  -0.0007462100000000,  0.0000000000000000, -0.0001850900000000 ]  - [  -0.0008397300000000, -0.0000881900000000,  0.0003951200000000 ]  - [  -0.0004972400000000,  0.0000642200000000,  0.0002420500000000 ]  - [  -0.0008397300000000,  0.0000881900000000,  0.0003951200000000 ]  - [  -0.0004972400000000, -0.0000642200000000,  0.0002420500000000 ]  - [  -0.0004981600000000,  0.0000000000000000,  0.0004622400000000 ]  - [  -0.0005836800000000,  0.0000000000000000,  0.0002549400000000 ]  - [  -0.0003011700000000, -0.0001700200000000,  0.0002730200000000 ]  - [  -0.0006067000000000,  0.0000012200000000,  0.0003158200000000 ]  - [  -0.0003011700000000,  0.0001700200000000,  0.0002730200000000 ]  - [  -0.0006067000000000, -0.0000012200000000,  0.0003158200000000 ]  - [  -0.0006246900000000,  0.0000000000000000,  0.0001758500000000 ]  - [  -0.0005822700000000,  0.0000000000000000,  0.0003362900000000 ]  - [   0.0004913700000000,  0.0000000000000000, -0.0000417200000000 ]  - [   0.0002274800000000,  0.0000000000000000, -0.0001632200000000 ]  - [   0.0005708800000000,  0.0000831900000000, -0.0004856300000000 ]  - [   0.0005377000000000, -0.0000149000000000, -0.0002599500000000 ]  - [   0.0005708800000000, -0.0000831900000000, -0.0004856300000000 ]  - [   0.0005377000000000,  0.0000149000000000, -0.0002599500000000 ]  - [   0.0005813500000000,  0.0000000000000000, -0.0001533800000000 ]  - [   0.0005790700000000,  0.0000000000000000, -0.0003370000000000 ]  - [   0.0005206000000000, -0.0001702100000000, -0.0002347600000000 ]  - [   0.0005832400000000,  0.0000130700000000, -0.0003385200000000 ]  - [   0.0005206000000000,  0.0001702100000000, -0.0002347600000000 ]  - [   0.0005832400000000, -0.0000130700000000, -0.0003385200000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0323141500000000,  0.0000000000000000,  0.0468743900000000 ]  - [  -0.0000692600000000,  0.0000000000000000, -0.0010295100000000 ]  - [  -0.0002654000000000, -0.0000830200000000, -0.0007670200000000 ]  - [  -0.0000638900000000,  0.0000007800000000, -0.0010190000000000 ]  - [  -0.0002654000000000,  0.0000830200000000, -0.0007670200000000 ]  - [  -0.0000638900000000, -0.0000007800000000, -0.0010190000000000 ]  - [  -0.0000377700000000,  0.0000000000000000, -0.0010572100000000 ]  - [  -0.0000664200000000,  0.0000000000000000, -0.0009825900000000 ]  - [  -0.0000457200000000, -0.0000090300000000, -0.0010466700000000 ]  - [  -0.0000671900000000,  0.0000040000000000, -0.0009862600000000 ]  - [  -0.0000457200000000,  0.0000090300000000, -0.0010466700000000 ]  - [  -0.0000671900000000, -0.0000040000000000, -0.0009862600000000 ]  - [   0.0000519700000000,  0.0000020000000000,  0.0009549100000000 ]  - [   0.0000617400000000, -0.0000043000000000,  0.0010287300000000 ]  - [   0.0000519700000000, -0.0000020000000000,  0.0009549100000000 ]  - [   0.0000617400000000,  0.0000043000000000,  0.0010287300000000 ]  - [   0.0000576100000000,  0.0000000000000000,  0.0009680000000000 ]  - [   0.0000608500000000,  0.0000000000000000,  0.0010208200000000 ]  - [   0.0000549000000000,  0.0000073000000000,  0.0010518800000000 ]  - [   0.0014693200000000, -0.0020894800000000,  0.0008072100000000 ]  - [   0.0000549000000000, -0.0000073000000000,  0.0010518800000000 ]  - [   0.0014693200000000,  0.0020894800000000,  0.0008072100000000 ]  - [   0.0000570400000000,  0.0000000000000000,  0.0010365900000000 ]  - [  -0.0000236200000000,  0.0000000000000000,  0.0009339800000000 ]  - [  -0.0001871100000000,  0.0001671300000000, -0.0012431800000000 ]  - [   0.0000201400000000,  0.0000520800000000, -0.0010246600000000 ]  - [  -0.0001871100000000, -0.0001671300000000, -0.0012431800000000 ]  - [   0.0000201400000000, -0.0000520800000000, -0.0010246600000000 ]  - [   0.0000595200000000,  0.0000000000000000, -0.0010135400000000 ]  - [   0.0000524900000000,  0.0000000000000000, -0.0010075600000000 ]  - [   0.0003201900000000, -0.0001064500000000, -0.0012444800000000 ]  - [   0.0000657900000000,  0.0000014700000000, -0.0010248000000000 ]  - [   0.0003201900000000,  0.0001064500000000, -0.0012444800000000 ]  - [   0.0000657900000000, -0.0000014700000000, -0.0010248000000000 ]  - [   0.0000685200000000,  0.0000000000000000, -0.0010134200000000 ]  - [   0.0000619500000000,  0.0000000000000000, -0.0010074500000000 ]  - [  -0.0001526700000000,  0.0000000000000000,  0.0011698000000000 ]  - [  -0.0000590300000000,  0.0000000000000000,  0.0011666900000000 ]  - [  -0.0000974300000000,  0.0000440800000000,  0.0009890300000000 ]  - [  -0.0000698700000000,  0.0000311100000000,  0.0009884900000000 ]  - [  -0.0000974300000000, -0.0000440800000000,  0.0009890300000000 ]  - [  -0.0000698700000000, -0.0000311100000000,  0.0009884900000000 ]  - [   0.0000179800000000,  0.0000000000000000,  0.0010457100000000 ]  - [  -0.0000534600000000,  0.0000000000000000,  0.0010454300000000 ]  - [  -0.0000110900000000, -0.0000628100000000,  0.0010428900000000 ]  - [  -0.0000538500000000, -0.0000078100000000,  0.0010423700000000 ]  - [  -0.0000110900000000,  0.0000628100000000,  0.0010428900000000 ]  - [  -0.0000538500000000,  0.0000078100000000,  0.0010423700000000 ]  - [  -0.0276940400000000,  0.0000000000000000, -0.0047782600000000 ]  - [  -0.0001662400000000,  0.0000000000000000, -0.0001978000000000 ]  - [  -0.0003413500000000,  0.0000252200000000, -0.0002102700000000 ]  - [  -0.0001753000000000, -0.0000009600000000, -0.0001964200000000 ]  - [  -0.0003413500000000, -0.0000252200000000, -0.0002102700000000 ]  - [  -0.0001753000000000,  0.0000009600000000, -0.0001964200000000 ]  - [  -0.0001044600000000,  0.0000000000000000, -0.0001737900000000 ]  - [  -0.0002179500000000,  0.0000000000000000, -0.0001696000000000 ]  - [  -0.0001447000000000, -0.0000122200000000, -0.0001922400000000 ]  - [  -0.0002152100000000,  0.0000013200000000, -0.0001691600000000 ]  - [  -0.0001447000000000,  0.0000122200000000, -0.0001922400000000 ]  - [  -0.0002152100000000, -0.0000013200000000, -0.0001691600000000 ]  - [   0.0002322200000000,  0.0000025700000000,  0.0001962200000000 ]  - [   0.0000779900000000, -0.0000943800000000,  0.0002297600000000 ]  - [   0.0002322200000000, -0.0000025700000000,  0.0001962200000000 ]  - [   0.0000779900000000,  0.0000943800000000,  0.0002297600000000 ]  - [   0.0002242700000000,  0.0000000000000000,  0.0001940900000000 ]  - [   0.0001681200000000,  0.0000000000000000,  0.0002035000000000 ]  - [   0.0001680000000000, -0.0000013300000000,  0.0001678100000000 ]  - [   0.0004053800000000,  0.0006458900000000,  0.0006882300000000 ]  - [   0.0001680000000000,  0.0000013300000000,  0.0001678100000000 ]  - [   0.0004053800000000, -0.0006458900000000,  0.0006882300000000 ]  - [   0.0001741900000000,  0.0000000000000000,  0.0001720700000000 ]  - [   0.0002512400000000,  0.0000000000000000,  0.0001200100000000 ]  - [   0.0000478600000000, -0.0000549500000000, -0.0000878900000000 ]  - [   0.0002211300000000,  0.0000036300000000, -0.0001818100000000 ]  - [   0.0000478600000000,  0.0000549500000000, -0.0000878900000000 ]  - [   0.0002211300000000, -0.0000036300000000, -0.0001818100000000 ]  - [   0.0001845600000000,  0.0000000000000000, -0.0001549500000000 ]  - [   0.0002100000000000,  0.0000000000000000, -0.0001739300000000 ]  - [   0.0000401500000000, -0.0000644300000000, -0.0000651600000000 ]  - [   0.0001523200000000, -0.0000034500000000, -0.0002174600000000 ]  - [   0.0000401500000000,  0.0000644300000000, -0.0000651600000000 ]  - [   0.0001523200000000,  0.0000034500000000, -0.0002174600000000 ]  - [   0.0002090500000000,  0.0000000000000000, -0.0002021200000000 ]  - [   0.0001812200000000,  0.0000000000000000, -0.0001994800000000 ]  - [   0.0001867600000000,  0.0000000000000000,  0.0005097800000000 ]  - [  -0.0002849600000000,  0.0000000000000000,  0.0002315800000000 ]  - [  -0.0001586100000000, -0.0000245900000000,  0.0002023700000000 ]  - [  -0.0002434500000000, -0.0000054800000000,  0.0002125900000000 ]  - [  -0.0001586100000000,  0.0000245900000000,  0.0002023700000000 ]  - [  -0.0002434500000000,  0.0000054800000000,  0.0002125900000000 ]  - [  -0.0002081500000000,  0.0000000000000000,  0.0002387800000000 ]  - [  -0.0001802300000000,  0.0000000000000000,  0.0001609400000000 ]  - [  -0.0001982100000000, -0.0000434900000000,  0.0002188800000000 ]  - [  -0.0001788600000000,  0.0000043300000000,  0.0001664200000000 ]  - [  -0.0001982100000000,  0.0000434900000000,  0.0002188800000000 ]  - [  -0.0001788600000000, -0.0000043300000000,  0.0001664200000000 ]  - [  -0.0327730300000000,  0.0000000000000000, -0.0453898600000000 ]  - [   0.0005971700000000,  0.0000000000000000,  0.0003459400000000 ]  - [   0.0003636700000000, -0.0005108000000000,  0.0004065300000000 ]  - [   0.0005908300000000, -0.0000011300000000,  0.0003357100000000 ]  - [   0.0003636700000000,  0.0005108000000000,  0.0004065300000000 ]  - [   0.0005908300000000,  0.0000011300000000,  0.0003357100000000 ]  - [   0.0004819300000000,  0.0000000000000000,  0.0002615600000000 ]  - [   0.0005949200000000,  0.0000000000000000,  0.0003205500000000 ]  - [   0.0005146800000000,  0.0000332000000000,  0.0002857200000000 ]  - [   0.0005935300000000, -0.0000056100000000,  0.0003241500000000 ]  - [   0.0005146800000000, -0.0000332000000000,  0.0002857200000000 ]  - [   0.0005935300000000,  0.0000056100000000,  0.0003241500000000 ]  - [  -0.0005918700000000, -0.0000053000000000, -0.0003221400000000 ]  - [  -0.0004969400000000,  0.0000636800000000, -0.0002454800000000 ]  - [  -0.0005918700000000,  0.0000053000000000, -0.0003221400000000 ]  - [  -0.0004969400000000, -0.0000636800000000, -0.0002454800000000 ]  - [  -0.0006014800000000,  0.0000000000000000, -0.0003254200000000 ]  - [  -0.0005435800000000,  0.0000000000000000, -0.0003524800000000 ]  - [  -0.0005780500000000, -0.0000018300000000, -0.0003351700000000 ]  - [   0.0125320100000000, -0.0012437800000000,  0.0004267900000000 ]  - [  -0.0005780500000000,  0.0000018300000000, -0.0003351700000000 ]  - [   0.0125320100000000,  0.0012437800000000,  0.0004267900000000 ]  - [  -0.0005834600000000,  0.0000000000000000, -0.0003295400000000 ]  - [  -0.0004203800000000,  0.0000000000000000, -0.0004718500000000 ]  - [  -0.0003558300000000,  0.0000899400000000,  0.0002647700000000 ]  - [  -0.0006875400000000, -0.0000641000000000,  0.0004181100000000 ]  - [  -0.0003558300000000, -0.0000899400000000,  0.0002647700000000 ]  - [  -0.0006875400000000,  0.0000641000000000,  0.0004181100000000 ]  - [  -0.0006890300000000,  0.0000000000000000,  0.0001978100000000 ]  - [  -0.0006009500000000,  0.0000000000000000,  0.0004052600000000 ]  - [  -0.0008998500000000,  0.0001696400000000,  0.0003931000000000 ]  - [  -0.0005773800000000, -0.0000016600000000,  0.0003440000000000 ]  - [  -0.0008998500000000, -0.0001696400000000,  0.0003931000000000 ]  - [  -0.0005773800000000,  0.0000016600000000,  0.0003440000000000 ]  - [  -0.0005613300000000,  0.0000000000000000,  0.0004842200000000 ]  - [  -0.0006016000000000,  0.0000000000000000,  0.0003247700000000 ]  - [   0.0006850900000000,  0.0000000000000000, -0.0006269700000000 ]  - [   0.0009601900000000,  0.0000000000000000, -0.0004974500000000 ]  - [   0.0006160400000000, -0.0000825200000000, -0.0001785100000000 ]  - [   0.0006471900000000,  0.0000147600000000, -0.0004003300000000 ]  - [   0.0006160400000000,  0.0000825200000000, -0.0001785100000000 ]  - [   0.0006471900000000, -0.0000147600000000, -0.0004003300000000 ]  - [   0.0006062700000000,  0.0000000000000000, -0.0005101700000000 ]  - [   0.0006052400000000,  0.0000000000000000, -0.0003227900000000 ]  - [   0.0006677700000000,  0.0001709800000000, -0.0004291100000000 ]  - [   0.0006012600000000, -0.0000120700000000, -0.0003216800000000 ]  - [   0.0006677700000000, -0.0001709800000000, -0.0004291100000000 ]  - [   0.0006012600000000,  0.0000120700000000, -0.0003216800000000 ]- atom:   49  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0051654900000000,  0.0000000000000000,  0.0264857900000000 ]  - [  -0.0000780300000000,  0.0000000000000000, -0.0010336700000000 ]  - [  -0.0000217400000000,  0.0000313600000000, -0.0008589300000000 ]  - [  -0.0000740300000000,  0.0000008300000000, -0.0010247300000000 ]  - [  -0.0000217400000000, -0.0000313600000000, -0.0008589300000000 ]  - [  -0.0000740300000000, -0.0000008300000000, -0.0010247300000000 ]  - [  -0.0000201200000000,  0.0000000000000000, -0.0010955700000000 ]  - [  -0.0000765000000000,  0.0000000000000000, -0.0009820000000000 ]  - [  -0.0000435500000000, -0.0000101700000000, -0.0010552400000000 ]  - [  -0.0000768200000000,  0.0000039300000000, -0.0009847500000000 ]  - [  -0.0000435500000000,  0.0000101700000000, -0.0010552400000000 ]  - [  -0.0000768200000000, -0.0000039300000000, -0.0009847500000000 ]  - [   0.0000438600000000,  0.0000010900000000,  0.0009680100000000 ]  - [   0.0001077300000000, -0.0000137300000000,  0.0011236100000000 ]  - [   0.0000438600000000, -0.0000010900000000,  0.0009680100000000 ]  - [   0.0001077300000000,  0.0000137300000000,  0.0011236100000000 ]  - [   0.0000462600000000,  0.0000000000000000,  0.0009758000000000 ]  - [   0.0000828200000000,  0.0000000000000000,  0.0010317500000000 ]  - [   0.0000478100000000,  0.0000015300000000,  0.0010318700000000 ]  - [  -0.0004353600000000,  0.0006534500000000,  0.0007941900000000 ]  - [   0.0000478100000000, -0.0000015300000000,  0.0010318700000000 ]  - [  -0.0004353600000000, -0.0006534500000000,  0.0007941900000000 ]  - [   0.0000463600000000,  0.0000000000000000,  0.0010257500000000 ]  - [   0.0001238900000000,  0.0000000000000000,  0.0009488700000000 ]  - [  -0.0001009000000000,  0.0002729000000000, -0.0011601200000000 ]  - [   0.0000009300000000,  0.0000823500000000, -0.0010477300000000 ]  - [  -0.0001009000000000, -0.0002729000000000, -0.0011601200000000 ]  - [   0.0000009300000000, -0.0000823500000000, -0.0010477300000000 ]  - [   0.0000430800000000,  0.0000000000000000, -0.0009908800000000 ]  - [   0.0000457000000000,  0.0000000000000000, -0.0010189200000000 ]  - [   0.0001213100000000, -0.0000639100000000, -0.0011541500000000 ]  - [   0.0000703200000000, -0.0000013900000000, -0.0009787100000000 ]  - [   0.0001213100000000,  0.0000639100000000, -0.0011541500000000 ]  - [   0.0000703200000000,  0.0000013900000000, -0.0009787100000000 ]  - [   0.0000536100000000,  0.0000000000000000, -0.0010159000000000 ]  - [   0.0000716100000000,  0.0000000000000000, -0.0009897000000000 ]  - [  -0.0001352500000000,  0.0000000000000000,  0.0009142800000000 ]  - [  -0.0002755000000000,  0.0000000000000000,  0.0013852600000000 ]  - [  -0.0001140700000000,  0.0000683500000000,  0.0009566200000000 ]  - [  -0.0001104600000000,  0.0000283600000000,  0.0010414100000000 ]  - [  -0.0001140700000000, -0.0000683500000000,  0.0009566200000000 ]  - [  -0.0001104600000000, -0.0000283600000000,  0.0010414100000000 ]  - [  -0.0000363500000000,  0.0000000000000000,  0.0010199500000000 ]  - [  -0.0000513100000000,  0.0000000000000000,  0.0009915000000000 ]  - [  -0.0000468500000000, -0.0000268700000000,  0.0010214900000000 ]  - [  -0.0000513200000000, -0.0000168100000000,  0.0010012800000000 ]  - [  -0.0000468500000000,  0.0000268700000000,  0.0010214900000000 ]  - [  -0.0000513200000000,  0.0000168100000000,  0.0010012800000000 ]  - [  -0.0503913100000000,  0.0000000000000000, -0.0409235300000000 ]  - [  -0.0001701100000000,  0.0000000000000000, -0.0001869900000000 ]  - [  -0.0003801200000000, -0.0001196200000000,  0.0000068500000000 ]  - [  -0.0001728800000000,  0.0000007200000000, -0.0001897100000000 ]  - [  -0.0003801200000000,  0.0001196200000000,  0.0000068500000000 ]  - [  -0.0001728800000000, -0.0000007200000000, -0.0001897100000000 ]  - [  -0.0001567100000000,  0.0000000000000000, -0.0001922200000000 ]  - [  -0.0002091700000000,  0.0000000000000000, -0.0001802700000000 ]  - [  -0.0001779300000000, -0.0000155900000000, -0.0001714500000000 ]  - [  -0.0002076600000000,  0.0000001700000000, -0.0001785100000000 ]  - [  -0.0001779300000000,  0.0000155900000000, -0.0001714500000000 ]  - [  -0.0002076600000000, -0.0000001700000000, -0.0001785100000000 ]  - [   0.0002263300000000,  0.0000002200000000,  0.0001851100000000 ]  - [   0.0000002800000000,  0.0000499200000000,  0.0001891500000000 ]  - [   0.0002263300000000, -0.0000002200000000,  0.0001851100000000 ]  - [   0.0000002800000000, -0.0000499200000000,  0.0001891500000000 ]  - [   0.0002229500000000,  0.0000000000000000,  0.0001872000000000 ]  - [   0.0001736300000000,  0.0000000000000000,  0.0001798700000000 ]  - [   0.0001853200000000,  0.0000001400000000,  0.0001800500000000 ]  - [   0.0002639000000000, -0.0019548900000000, -0.0012513900000000 ]  - [   0.0001853200000000, -0.0000001400000000,  0.0001800500000000 ]  - [   0.0002639000000000,  0.0019548900000000, -0.0012513900000000 ]  - [   0.0001850400000000,  0.0000000000000000,  0.0001817300000000 ]  - [   0.0002664100000000,  0.0000000000000000,  0.0002650200000000 ]  - [   0.0000609500000000,  0.0000017000000000, -0.0001564600000000 ]  - [   0.0001980100000000,  0.0000161400000000, -0.0002225600000000 ]  - [   0.0000609500000000, -0.0000017000000000, -0.0001564600000000 ]  - [   0.0001980100000000, -0.0000161400000000, -0.0002225600000000 ]  - [   0.0001953200000000,  0.0000000000000000, -0.0001755600000000 ]  - [   0.0001903600000000,  0.0000000000000000, -0.0002062500000000 ]  - [   0.0000588400000000, -0.0000569100000000, -0.0000843900000000 ]  - [   0.0001984300000000, -0.0000065900000000, -0.0001624400000000 ]  - [   0.0000588400000000,  0.0000569100000000, -0.0000843900000000 ]  - [   0.0001984300000000,  0.0000065900000000, -0.0001624400000000 ]  - [   0.0001949100000000,  0.0000000000000000, -0.0001800200000000 ]  - [   0.0001908400000000,  0.0000000000000000, -0.0001758800000000 ]  - [  -0.0002047100000000,  0.0000000000000000,  0.0001485800000000 ]  - [  -0.0002028600000000,  0.0000000000000000,  0.0001753100000000 ]  - [  -0.0001811300000000,  0.0000152700000000,  0.0001510800000000 ]  - [  -0.0001805600000000,  0.0000078500000000,  0.0001823600000000 ]  - [  -0.0001811300000000, -0.0000152700000000,  0.0001510800000000 ]  - [  -0.0001805600000000, -0.0000078500000000,  0.0001823600000000 ]  - [  -0.0001884100000000,  0.0000000000000000,  0.0002425300000000 ]  - [  -0.0001894700000000,  0.0000000000000000,  0.0001878700000000 ]  - [  -0.0001857300000000, -0.0000348500000000,  0.0002216700000000 ]  - [  -0.0001867700000000, -0.0000019900000000,  0.0001865500000000 ]  - [  -0.0001857300000000,  0.0000348500000000,  0.0002216700000000 ]  - [  -0.0001867700000000,  0.0000019900000000,  0.0001865500000000 ]  - [   0.0486782900000000,  0.0000000000000000,  0.0407368000000000 ]  - [   0.0006107500000000,  0.0000000000000000,  0.0003466500000000 ]  - [   0.0004773900000000, -0.0004669500000000,  0.0005326100000000 ]  - [   0.0005989200000000,  0.0000003200000000,  0.0003440700000000 ]  - [   0.0004773900000000,  0.0004669500000000,  0.0005326100000000 ]  - [   0.0005989200000000, -0.0000003200000000,  0.0003440700000000 ]  - [   0.0005659900000000,  0.0000000000000000,  0.0003114000000000 ]  - [   0.0005971400000000,  0.0000000000000000,  0.0003231900000000 ]  - [   0.0006222700000000,  0.0000187800000000,  0.0003514500000000 ]  - [   0.0005961600000000, -0.0000021600000000,  0.0003247300000000 ]  - [   0.0006222700000000, -0.0000187800000000,  0.0003514500000000 ]  - [   0.0005961600000000,  0.0000021600000000,  0.0003247300000000 ]  - [  -0.0005789400000000, -0.0000015400000000, -0.0003142800000000 ]  - [  -0.0005279800000000,  0.0000173600000000, -0.0003596800000000 ]  - [  -0.0005789400000000,  0.0000015400000000, -0.0003142800000000 ]  - [  -0.0005279800000000, -0.0000173600000000, -0.0003596800000000 ]  - [  -0.0005869000000000,  0.0000000000000000, -0.0003220500000000 ]  - [  -0.0006430300000000,  0.0000000000000000, -0.0003530500000000 ]  - [  -0.0005914500000000, -0.0000034100000000, -0.0003388600000000 ]  - [  -0.0017330700000000, -0.0012216100000000, -0.0127505500000000 ]  - [  -0.0005914500000000,  0.0000034100000000, -0.0003388600000000 ]  - [  -0.0017330700000000,  0.0012216100000000, -0.0127505500000000 ]  - [  -0.0005815500000000,  0.0000000000000000, -0.0003352800000000 ]  - [  -0.0004332800000000,  0.0000000000000000, -0.0005744300000000 ]  - [  -0.0001240000000000, -0.0000914700000000,  0.0003002800000000 ]  - [  -0.0007432400000000, -0.0001253700000000,  0.0004464200000000 ]  - [  -0.0001240000000000,  0.0000914700000000,  0.0003002800000000 ]  - [  -0.0007432400000000,  0.0001253700000000,  0.0004464200000000 ]  - [  -0.0006300100000000,  0.0000000000000000,  0.0002015300000000 ]  - [  -0.0005943500000000,  0.0000000000000000,  0.0004074600000000 ]  - [  -0.0005570900000000,  0.0001393600000000,  0.0003396100000000 ]  - [  -0.0005735400000000,  0.0000058300000000,  0.0002569500000000 ]  - [  -0.0005570900000000, -0.0001393600000000,  0.0003396100000000 ]  - [  -0.0005735400000000, -0.0000058300000000,  0.0002569500000000 ]  - [  -0.0005448000000000,  0.0000000000000000,  0.0004035000000000 ]  - [  -0.0005539100000000,  0.0000000000000000,  0.0002852500000000 ]  - [   0.0007336800000000,  0.0000000000000000, -0.0000607600000000 ]  - [   0.0014798100000000,  0.0000000000000000, -0.0005858100000000 ]  - [   0.0005006900000000, -0.0000983500000000, -0.0001532100000000 ]  - [   0.0005994400000000, -0.0000215300000000, -0.0004264000000000 ]  - [   0.0005006900000000,  0.0000983500000000, -0.0001532100000000 ]  - [   0.0005994400000000,  0.0000215300000000, -0.0004264000000000 ]  - [   0.0005427300000000,  0.0000000000000000, -0.0004237900000000 ]  - [   0.0005417000000000,  0.0000000000000000, -0.0002943400000000 ]  - [   0.0006138900000000,  0.0000883100000000, -0.0003451800000000 ]  - [   0.0005370500000000,  0.0000162300000000, -0.0003009800000000 ]  - [   0.0006138900000000, -0.0000883100000000, -0.0003451800000000 ]  - [   0.0005370500000000, -0.0000162300000000, -0.0003009800000000 ]- atom:   49  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0054349200000000,  0.0000000000000000, -0.0287231000000000 ]  - [  -0.0000477700000000,  0.0000000000000000, -0.0009722000000000 ]  - [  -0.0001029900000000, -0.0000313500000000, -0.0011500500000000 ]  - [  -0.0000464900000000, -0.0000009500000000, -0.0009804000000000 ]  - [  -0.0001029900000000,  0.0000313500000000, -0.0011500500000000 ]  - [  -0.0000464900000000,  0.0000009500000000, -0.0009804000000000 ]  - [  -0.0001040500000000,  0.0000000000000000, -0.0009105000000000 ]  - [  -0.0000414200000000,  0.0000000000000000, -0.0010227100000000 ]  - [  -0.0000804600000000,  0.0000104200000000, -0.0009503800000000 ]  - [  -0.0000461900000000, -0.0000037800000000, -0.0010207500000000 ]  - [  -0.0000804600000000, -0.0000104200000000, -0.0009503800000000 ]  - [  -0.0000461900000000,  0.0000037800000000, -0.0010207500000000 ]  - [   0.0000790000000000, -0.0000011700000000,  0.0010375900000000 ]  - [   0.0000161000000000,  0.0000137500000000,  0.0008846800000000 ]  - [   0.0000790000000000,  0.0000011700000000,  0.0010375900000000 ]  - [   0.0000161000000000, -0.0000137500000000,  0.0008846800000000 ]  - [   0.0000766200000000,  0.0000000000000000,  0.0010297100000000 ]  - [   0.0000407600000000,  0.0000000000000000,  0.0009737100000000 ]  - [   0.0000766400000000, -0.0000015300000000,  0.0009735000000000 ]  - [   0.0005533600000000, -0.0006580600000000,  0.0012029000000000 ]  - [   0.0000766400000000,  0.0000015300000000,  0.0009735000000000 ]  - [   0.0005533600000000,  0.0006580600000000,  0.0012029000000000 ]  - [   0.0000747400000000,  0.0000000000000000,  0.0009792800000000 ]  - [  -0.0000046100000000,  0.0000000000000000,  0.0010583600000000 ]  - [   0.0002291400000000, -0.0002759200000000, -0.0008399400000000 ]  - [   0.0001208200000000, -0.0000814700000000, -0.0009583100000000 ]  - [   0.0002291400000000,  0.0002759200000000, -0.0008399400000000 ]  - [   0.0001208200000000,  0.0000814700000000, -0.0009583100000000 ]  - [   0.0000811200000000,  0.0000000000000000, -0.0010138800000000 ]  - [   0.0000765800000000,  0.0000000000000000, -0.0009864800000000 ]  - [   0.0000031000000000,  0.0000642600000000, -0.0008520600000000 ]  - [   0.0000539100000000,  0.0000013900000000, -0.0010264800000000 ]  - [   0.0000031000000000, -0.0000642600000000, -0.0008520600000000 ]  - [   0.0000539100000000, -0.0000013900000000, -0.0010264800000000 ]  - [   0.0000688400000000,  0.0000000000000000, -0.0009902200000000 ]  - [   0.0000493000000000,  0.0000000000000000, -0.0010152700000000 ]  - [   0.0000110200000000,  0.0000000000000000,  0.0010892500000000 ]  - [   0.0001399200000000,  0.0000000000000000,  0.0006258800000000 ]  - [  -0.0000079500000000, -0.0000688800000000,  0.0010485100000000 ]  - [  -0.0000109200000000, -0.0000293400000000,  0.0009644900000000 ]  - [  -0.0000079500000000,  0.0000688800000000,  0.0010485100000000 ]  - [  -0.0000109200000000,  0.0000293400000000,  0.0009644900000000 ]  - [  -0.0000841700000000,  0.0000000000000000,  0.0009853600000000 ]  - [  -0.0000722600000000,  0.0000000000000000,  0.0010124000000000 ]  - [  -0.0000761300000000,  0.0000268900000000,  0.0009840400000000 ]  - [  -0.0000705800000000,  0.0000168700000000,  0.0010027600000000 ]  - [  -0.0000761300000000, -0.0000268900000000,  0.0009840400000000 ]  - [  -0.0000705800000000, -0.0000168700000000,  0.0010027600000000 ]  - [   0.0491919200000000,  0.0000000000000000,  0.0393947100000000 ]  - [  -0.0002240000000000,  0.0000000000000000, -0.0001752500000000 ]  - [  -0.0000125700000000,  0.0001104900000000, -0.0003777000000000 ]  - [  -0.0002219200000000, -0.0000007500000000, -0.0001777200000000 ]  - [  -0.0000125700000000, -0.0001104900000000, -0.0003777000000000 ]  - [  -0.0002219200000000,  0.0000007500000000, -0.0001777200000000 ]  - [  -0.0002393000000000,  0.0000000000000000, -0.0001691000000000 ]  - [  -0.0001859600000000,  0.0000000000000000, -0.0001898500000000 ]  - [  -0.0002176100000000,  0.0000175500000000, -0.0001909900000000 ]  - [  -0.0001866800000000, -0.0000000600000000, -0.0001867300000000 ]  - [  -0.0002176100000000, -0.0000175500000000, -0.0001909900000000 ]  - [  -0.0001866800000000,  0.0000000600000000, -0.0001867300000000 ]  - [   0.0001681000000000, -0.0000003500000000,  0.0001803300000000 ]  - [   0.0003959000000000, -0.0000407800000000,  0.0001764600000000 ]  - [   0.0001681000000000,  0.0000003500000000,  0.0001803300000000 ]  - [   0.0003959000000000,  0.0000407800000000,  0.0001764600000000 ]  - [   0.0001714700000000,  0.0000000000000000,  0.0001781900000000 ]  - [   0.0002212200000000,  0.0000000000000000,  0.0001850700000000 ]  - [   0.0002091800000000, -0.0000000300000000,  0.0001841500000000 ]  - [   0.0001173200000000,  0.0019488000000000,  0.0015902700000000 ]  - [   0.0002091800000000,  0.0000000300000000,  0.0001841500000000 ]  - [   0.0001173200000000, -0.0019488000000000,  0.0015902700000000 ]  - [   0.0002098200000000,  0.0000000000000000,  0.0001856400000000 ]  - [   0.0001298400000000,  0.0000000000000000,  0.0001024700000000 ]  - [   0.0003364800000000, -0.0000010000000000, -0.0002096300000000 ]  - [   0.0001958200000000, -0.0000158800000000, -0.0001450700000000 ]  - [   0.0003364800000000,  0.0000010000000000, -0.0002096300000000 ]  - [   0.0001958200000000,  0.0000158800000000, -0.0001450700000000 ]  - [   0.0001995600000000,  0.0000000000000000, -0.0001885300000000 ]  - [   0.0002036500000000,  0.0000000000000000, -0.0001608100000000 ]  - [   0.0003344500000000,  0.0000569000000000, -0.0002787400000000 ]  - [   0.0001962800000000,  0.0000065600000000, -0.0002013200000000 ]  - [   0.0003344500000000, -0.0000569000000000, -0.0002787400000000 ]  - [   0.0001962800000000, -0.0000065600000000, -0.0002013200000000 ]  - [   0.0001991800000000,  0.0000000000000000, -0.0001850200000000 ]  - [   0.0002041400000000,  0.0000000000000000, -0.0001913300000000 ]  - [  -0.0001921400000000,  0.0000000000000000,  0.0002105500000000 ]  - [  -0.0001903400000000,  0.0000000000000000,  0.0001906600000000 ]  - [  -0.0002139100000000, -0.0000148300000000,  0.0002144000000000 ]  - [  -0.0002134700000000, -0.0000078300000000,  0.0001840100000000 ]  - [  -0.0002139100000000,  0.0000148300000000,  0.0002144000000000 ]  - [  -0.0002134700000000,  0.0000078300000000,  0.0001840100000000 ]  - [  -0.0002051900000000,  0.0000000000000000,  0.0001256700000000 ]  - [  -0.0002063200000000,  0.0000000000000000,  0.0001775700000000 ]  - [  -0.0002077200000000,  0.0000347600000000,  0.0001441000000000 ]  - [  -0.0002088700000000,  0.0000019600000000,  0.0001802100000000 ]  - [  -0.0002077200000000, -0.0000347600000000,  0.0001441000000000 ]  - [  -0.0002088700000000, -0.0000019600000000,  0.0001802100000000 ]  - [  -0.0464218000000000,  0.0000000000000000, -0.0387141700000000 ]  - [   0.0005729400000000,  0.0000000000000000,  0.0003128200000000 ]  - [   0.0007158600000000,  0.0004788700000000,  0.0001336200000000 ]  - [   0.0005835900000000,  0.0000005800000000,  0.0003172400000000 ]  - [   0.0007158600000000, -0.0004788700000000,  0.0001336200000000 ]  - [   0.0005835900000000, -0.0000005800000000,  0.0003172400000000 ]  - [   0.0006251900000000,  0.0000000000000000,  0.0003453100000000 ]  - [   0.0005841100000000,  0.0000000000000000,  0.0003397100000000 ]  - [   0.0005691400000000, -0.0000220100000000,  0.0003092800000000 ]  - [   0.0005870100000000,  0.0000029100000000,  0.0003355200000000 ]  - [   0.0005691400000000,  0.0000220100000000,  0.0003092800000000 ]  - [   0.0005870100000000, -0.0000029100000000,  0.0003355200000000 ]  - [  -0.0006049000000000,  0.0000033600000000, -0.0003457200000000 ]  - [  -0.0006627000000000, -0.0000229300000000, -0.0003098500000000 ]  - [  -0.0006049000000000, -0.0000033600000000, -0.0003457200000000 ]  - [  -0.0006627000000000,  0.0000229300000000, -0.0003098500000000 ]  - [  -0.0005958400000000,  0.0000000000000000, -0.0003388700000000 ]  - [  -0.0005464800000000,  0.0000000000000000, -0.0003030000000000 ]  - [  -0.0005919800000000,  0.0000016100000000, -0.0003215600000000 ]  - [   0.0004948700000000,  0.0011958000000000,  0.0121544000000000 ]  - [  -0.0005919800000000, -0.0000016100000000, -0.0003215600000000 ]  - [   0.0004948700000000, -0.0011958000000000,  0.0121544000000000 ]  - [  -0.0006019500000000,  0.0000000000000000, -0.0003254200000000 ]  - [  -0.0007557900000000,  0.0000000000000000, -0.0001046400000000 ]  - [  -0.0010653300000000,  0.0000890200000000,  0.0003582100000000 ]  - [  -0.0004447300000000,  0.0001239800000000,  0.0002141400000000 ]  - [  -0.0010653300000000, -0.0000890200000000,  0.0003582100000000 ]  - [  -0.0004447300000000, -0.0001239800000000,  0.0002141400000000 ]  - [  -0.0005539800000000,  0.0000000000000000,  0.0004570200000000 ]  - [  -0.0005898200000000,  0.0000000000000000,  0.0002523500000000 ]  - [  -0.0006273100000000, -0.0001380000000000,  0.0003164700000000 ]  - [  -0.0006111200000000, -0.0000060000000000,  0.0004019600000000 ]  - [  -0.0006273100000000,  0.0001380000000000,  0.0003164700000000 ]  - [  -0.0006111200000000,  0.0000060000000000,  0.0004019600000000 ]  - [  -0.0006385700000000,  0.0000000000000000,  0.0002553500000000 ]  - [  -0.0006298600000000,  0.0000000000000000,  0.0003754900000000 ]  - [   0.0004499300000000,  0.0000000000000000, -0.0005944800000000 ]  - [  -0.0002743300000000,  0.0000000000000000, -0.0000777000000000 ]  - [   0.0006831800000000,  0.0000985000000000, -0.0005080900000000 ]  - [   0.0005835600000000,  0.0000216800000000, -0.0002338700000000 ]  - [   0.0006831800000000, -0.0000985000000000, -0.0005080900000000 ]  - [   0.0005835600000000, -0.0000216800000000, -0.0002338700000000 ]  - [   0.0006406900000000,  0.0000000000000000, -0.0002359200000000 ]  - [   0.0006423300000000,  0.0000000000000000, -0.0003650100000000 ]  - [   0.0005704900000000, -0.0000872300000000, -0.0003137000000000 ]  - [   0.0006472400000000, -0.0000147000000000, -0.0003587100000000 ]  - [   0.0005704900000000,  0.0000872300000000, -0.0003137000000000 ]  - [   0.0006472400000000,  0.0000147000000000, -0.0003587100000000 ]- atom:   49  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0000501900000000,  0.0007709400000000, -0.0009888900000000 ]  - [  -0.0000626400000000,  0.0000004800000000, -0.0010028300000000 ]  - [  -0.0001109300000000,  0.0000507200000000, -0.0009764200000000 ]  - [  -0.0000582400000000, -0.0000002200000000, -0.0010032900000000 ]  - [  -0.0000095800000000,  0.0000539600000000, -0.0010274100000000 ]  - [  -0.0000604900000000, -0.0000000700000000, -0.0010016600000000 ]  - [  -0.0000605600000000,  0.0000112400000000, -0.0010032800000000 ]  - [  -0.0000580800000000,  0.0000013000000000, -0.0010023800000000 ]  - [  -0.0000624900000000, -0.0000047200000000, -0.0010147700000000 ]  - [  -0.0000598800000000, -0.0000005200000000, -0.0010014500000000 ]  - [  -0.0000595300000000, -0.0000047800000000, -0.0009907000000000 ]  - [  -0.0000615600000000, -0.0000006800000000, -0.0010040600000000 ]  - [   0.0000589000000000, -0.0000006200000000,  0.0009997400000000 ]  - [   0.0000723500000000, -0.0000054700000000,  0.0010973800000000 ]  - [   0.0000615500000000, -0.0000006000000000,  0.0010051600000000 ]  - [   0.0000497000000000, -0.0000054900000000,  0.0009088200000000 ]  - [   0.0000605200000000,  0.0000013800000000,  0.0010025300000000 ]  - [   0.0000611600000000,  0.0000045300000000,  0.0010024100000000 ]  - [   0.0000605600000000, -0.0000002500000000,  0.0010041200000000 ]  - [   0.0002690000000000, -0.0009695500000000,  0.0003540700000000 ]  - [   0.0000619700000000, -0.0000003400000000,  0.0010015800000000 ]  - [  -0.0001502500000000, -0.0009698900000000,  0.0016508700000000 ]  - [   0.0000594000000000,  0.0000007700000000,  0.0010026400000000 ]  - [   0.0000586000000000, -0.0000191700000000,  0.0010029300000000 ]  - [   0.0000258100000000,  0.0000372000000000, -0.0010684600000000 ]  - [   0.0000692500000000,  0.0000179400000000, -0.0010061200000000 ]  - [   0.0000960400000000,  0.0000312100000000, -0.0009369700000000 ]  - [   0.0000512700000000,  0.0000197800000000, -0.0009986700000000 ]  - [   0.0000616100000000,  0.0000260700000000, -0.0010019100000000 ]  - [   0.0000600100000000, -0.0000333600000000, -0.0010027200000000 ]  - [   0.0000285500000000,  0.0000138500000000, -0.0010581000000000 ]  - [   0.0000512800000000, -0.0000138700000000, -0.0009985700000000 ]  - [   0.0000948300000000,  0.0000135500000000, -0.0009490200000000 ]  - [   0.0000708600000000, -0.0000138200000000, -0.0010062300000000 ]  - [   0.0000607100000000, -0.0000248400000000, -0.0010035100000000 ]  - [   0.0000593300000000,  0.0000269100000000, -0.0010023300000000 ]  - [  -0.0000625300000000,  0.0000449200000000,  0.0010024200000000 ]  - [  -0.0000619800000000, -0.0001615500000000,  0.0010006200000000 ]  - [  -0.0000434000000000, -0.0000255000000000,  0.0010073800000000 ]  - [  -0.0001167100000000,  0.0000366900000000,  0.0010273700000000 ]  - [  -0.0000773200000000, -0.0000267800000000,  0.0009967300000000 ]  - [  -0.0000039000000000,  0.0000375400000000,  0.0009797100000000 ]  - [  -0.0000591300000000, -0.0000260700000000,  0.0010027500000000 ]  - [  -0.0000614900000000,  0.0000831700000000,  0.0010017400000000 ]  - [  -0.0000692400000000,  0.0000122100000000,  0.0009986800000000 ]  - [  -0.0000483500000000, -0.0000484200000000,  0.0010460300000000 ]  - [  -0.0000517500000000,  0.0000120900000000,  0.0010070000000000 ]  - [  -0.0000727500000000, -0.0000482500000000,  0.0009576800000000 ]  - [  -0.0003737900000000, -0.0477576400000000, -0.0009894900000000 ]  - [  -0.0001969800000000, -0.0000011100000000, -0.0001817000000000 ]  - [  -0.0000801700000000,  0.0001603100000000,  0.0006312100000000 ]  - [  -0.0001983200000000,  0.0000005600000000, -0.0001844300000000 ]  - [  -0.0003103600000000,  0.0001638800000000, -0.0009906600000000 ]  - [  -0.0001965900000000,  0.0000006700000000, -0.0001852400000000 ]  - [  -0.0001973300000000,  0.0002228500000000, -0.0001817800000000 ]  - [  -0.0001976400000000,  0.0000013600000000, -0.0001858700000000 ]  - [  -0.0001808000000000, -0.0001292600000000, -0.0002367900000000 ]  - [  -0.0001974200000000, -0.0000005200000000, -0.0001847200000000 ]  - [  -0.0002139000000000, -0.0001307200000000, -0.0001268300000000 ]  - [  -0.0001970600000000, -0.0000006700000000, -0.0001819300000000 ]  - [   0.0001978500000000, -0.0000006800000000,  0.0001859200000000 ]  - [   0.0002425300000000,  0.0000862100000000,  0.0003345500000000 ]  - [   0.0001970300000000, -0.0000006300000000,  0.0001818000000000 ]  - [   0.0001517300000000,  0.0000761600000000,  0.0000316000000000 ]  - [   0.0001974100000000,  0.0000014600000000,  0.0001835000000000 ]  - [   0.0001970300000000,  0.0000826200000000,  0.0001829700000000 ]  - [   0.0001974100000000,  0.0000006200000000,  0.0001820300000000 ]  - [  -0.0017546200000000,  0.0039511200000000,  0.0022253900000000 ]  - [   0.0001970300000000,  0.0000005400000000,  0.0001832900000000 ]  - [   0.0021492000000000,  0.0039513900000000, -0.0018953000000000 ]  - [   0.0001974600000000, -0.0000010500000000,  0.0001844600000000 ]  - [   0.0001978200000000, -0.0001374200000000,  0.0001866700000000 ]  - [   0.0001399500000000,  0.0000003800000000, -0.0001742900000000 ]  - [   0.0001900600000000,  0.0000015300000000, -0.0001861700000000 ]  - [   0.0002538200000000,  0.0000005200000000, -0.0001915400000000 ]  - [   0.0002036700000000,  0.0000017600000000, -0.0001826900000000 ]  - [   0.0001977200000000, -0.0000010100000000, -0.0001828300000000 ]  - [   0.0001970800000000, -0.0000016000000000, -0.0001841500000000 ]  - [   0.0001982200000000,  0.0000005600000000, -0.0001845500000000 ]  - [   0.0002138900000000,  0.0000017200000000, -0.0001744400000000 ]  - [   0.0001953800000000,  0.0000003700000000, -0.0001804100000000 ]  - [   0.0001815600000000,  0.0000016400000000, -0.0001901600000000 ]  - [   0.0001968400000000, -0.0000010500000000, -0.0001832000000000 ]  - [   0.0001978200000000, -0.0000016300000000, -0.0001841600000000 ]  - [  -0.0001969400000000,  0.0000042100000000,  0.0001819600000000 ]  - [  -0.0001958800000000,  0.0000042200000000,  0.0001834500000000 ]  - [  -0.0002055800000000, -0.0000006900000000,  0.0001808700000000 ]  - [  -0.0002118800000000, -0.0000007400000000,  0.0001909800000000 ]  - [  -0.0001897600000000, -0.0000007800000000,  0.0001858300000000 ]  - [  -0.0001816700000000, -0.0000007600000000,  0.0001763400000000 ]  - [  -0.0001971600000000, -0.0000065700000000,  0.0001849900000000 ]  - [  -0.0001979700000000, -0.0000066000000000,  0.0001833100000000 ]  - [  -0.0001948900000000,  0.0000042000000000,  0.0001786400000000 ]  - [  -0.0001630500000000,  0.0000042000000000,  0.0001723100000000 ]  - [  -0.0001991600000000,  0.0000041500000000,  0.0001886100000000 ]  - [  -0.0002328200000000,  0.0000042400000000,  0.0001962300000000 ]  - [   0.0006655500000000,  0.0384076700000000,  0.0013114400000000 ]  - [   0.0005918300000000,  0.0000008000000000,  0.0003298900000000 ]  - [   0.0004164700000000, -0.0018553900000000, -0.0012315700000000 ]  - [   0.0005912100000000,  0.0000001400000000,  0.0003298800000000 ]  - [   0.0007675500000000, -0.0018770900000000,  0.0018569400000000 ]  - [   0.0005914900000000, -0.0000007500000000,  0.0003317300000000 ]  - [   0.0005932500000000, -0.0002086500000000,  0.0003255600000000 ]  - [   0.0005906600000000, -0.0000042100000000,  0.0003313400000000 ]  - [   0.0005630100000000,  0.0001163500000000,  0.0003261500000000 ]  - [   0.0005902600000000,  0.0000023200000000,  0.0003312500000000 ]  - [   0.0006253400000000,  0.0001197200000000,  0.0003312100000000 ]  - [   0.0005929400000000,  0.0000019600000000,  0.0003291300000000 ]  - [  -0.0005889300000000,  0.0000025100000000, -0.0003311200000000 ]  - [  -0.0006614200000000, -0.0000332200000000, -0.0010651300000000 ]  - [  -0.0005946500000000,  0.0000010000000000, -0.0003291500000000 ]  - [  -0.0005258000000000, -0.0000267600000000,  0.0004063600000000 ]  - [  -0.0005915900000000, -0.0000034000000000, -0.0003303200000000 ]  - [  -0.0005937200000000, -0.0000371800000000, -0.0003265600000000 ]  - [  -0.0005916200000000, -0.0000014300000000, -0.0003299900000000 ]  - [   0.0036871900000000,  0.0028097900000000,  0.0251289400000000 ]  - [  -0.0005913300000000,  0.0000004900000000, -0.0003306700000000 ]  - [  -0.0047822300000000,  0.0028842300000000, -0.0259091300000000 ]  - [  -0.0005917800000000,  0.0000011200000000, -0.0003303600000000 ]  - [  -0.0005899200000000,  0.0002237700000000, -0.0003384300000000 ]  - [  -0.0003199100000000, -0.0000119000000000,  0.0003408500000000 ]  - [  -0.0006250300000000, -0.0000269800000000,  0.0003345600000000 ]  - [  -0.0008612400000000, -0.0000071400000000,  0.0003178800000000 ]  - [  -0.0005562000000000, -0.0000295600000000,  0.0003241300000000 ]  - [  -0.0005942800000000,  0.0000048600000000,  0.0003280800000000 ]  - [  -0.0005926000000000,  0.0000485800000000,  0.0003295300000000 ]  - [  -0.0006641100000000, -0.0000049000000000,  0.0003419700000000 ]  - [  -0.0005750900000000,  0.0000168400000000,  0.0003173900000000 ]  - [  -0.0005218300000000, -0.0000058400000000,  0.0003174000000000 ]  - [  -0.0006094900000000,  0.0000172600000000,  0.0003420100000000 ]  - [  -0.0005924300000000,  0.0000080900000000,  0.0003301100000000 ]  - [  -0.0005918600000000, -0.0000392300000000,  0.0003302800000000 ]  - [   0.0005939100000000, -0.0000739900000000, -0.0003284900000000 ]  - [   0.0005872400000000,  0.0001208300000000, -0.0003279600000000 ]  - [   0.0006338600000000,  0.0000296400000000, -0.0003368400000000 ]  - [   0.0007231900000000, -0.0000381200000000, -0.0003617900000000 ]  - [   0.0005489500000000,  0.0000320200000000, -0.0003205500000000 ]  - [   0.0004616100000000, -0.0000371700000000, -0.0002977800000000 ]  - [   0.0005920900000000,  0.0000382800000000, -0.0003309600000000 ]  - [   0.0005922900000000, -0.0000219800000000, -0.0003302100000000 ]  - [   0.0005832300000000, -0.0000190700000000, -0.0003230700000000 ]  - [   0.0004965800000000,  0.0000205500000000, -0.0003501800000000 ]  - [   0.0006019500000000, -0.0000196900000000, -0.0003373800000000 ]  - [   0.0006883600000000,  0.0000189000000000, -0.0003105000000000 ]- atom:   49  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0003892300000000,  0.0000000000000000,  0.0037451500000000 ]  - [  -0.0000591600000000,  0.0000000000000000, -0.0009861500000000 ]  - [  -0.0000475900000000, -0.0000378100000000, -0.0009746400000000 ]  - [  -0.0000580200000000, -0.0000015000000000, -0.0009903400000000 ]  - [  -0.0000475900000000,  0.0000378100000000, -0.0009746400000000 ]  - [  -0.0000580200000000,  0.0000015000000000, -0.0009903400000000 ]  - [  -0.0000670000000000,  0.0000000000000000, -0.0010116400000000 ]  - [  -0.0000597600000000,  0.0000000000000000, -0.0010180700000000 ]  - [  -0.0000608300000000,  0.0000022500000000, -0.0009930300000000 ]  - [  -0.0000619500000000, -0.0000005300000000, -0.0010164400000000 ]  - [  -0.0000608300000000, -0.0000022500000000, -0.0009930300000000 ]  - [  -0.0000619500000000,  0.0000005300000000, -0.0010164400000000 ]  - [   0.0000582600000000,  0.0000003300000000,  0.0009896000000000 ]  - [   0.0000775500000000,  0.0000154500000000,  0.0009536800000000 ]  - [   0.0000582600000000, -0.0000003300000000,  0.0009896000000000 ]  - [   0.0000775500000000, -0.0000154500000000,  0.0009536800000000 ]  - [   0.0000597000000000,  0.0000000000000000,  0.0009914900000000 ]  - [   0.0000552900000000,  0.0000000000000000,  0.0009818300000000 ]  - [   0.0000631100000000, -0.0000011200000000,  0.0010173600000000 ]  - [  -0.0001174800000000, -0.0001985300000000,  0.0004985900000000 ]  - [   0.0000631100000000,  0.0000011200000000,  0.0010173600000000 ]  - [  -0.0001174800000000,  0.0001985300000000,  0.0004985900000000 ]  - [   0.0000606800000000,  0.0000000000000000,  0.0010145400000000 ]  - [   0.0000427200000000,  0.0000000000000000,  0.0010673600000000 ]  - [   0.0000894200000000,  0.0001723200000000, -0.0011230000000000 ]  - [   0.0001183000000000, -0.0000650000000000, -0.0009671700000000 ]  - [   0.0000894200000000, -0.0001723200000000, -0.0011230000000000 ]  - [   0.0001183000000000,  0.0000650000000000, -0.0009671700000000 ]  - [   0.0000501700000000,  0.0000000000000000, -0.0009836500000000 ]  - [   0.0000730800000000,  0.0000000000000000, -0.0009870900000000 ]  - [   0.0000953700000000, -0.0000188400000000, -0.0010985800000000 ]  - [   0.0000306000000000,  0.0000075400000000, -0.0010042400000000 ]  - [   0.0000953700000000,  0.0000188400000000, -0.0010985800000000 ]  - [   0.0000306000000000, -0.0000075400000000, -0.0010042400000000 ]  - [   0.0000853400000000,  0.0000000000000000, -0.0010302200000000 ]  - [   0.0000348100000000,  0.0000000000000000, -0.0010118500000000 ]  - [  -0.0001243000000000,  0.0000000000000000,  0.0009541400000000 ]  - [  -0.0003409600000000,  0.0000000000000000,  0.0006740400000000 ]  - [  -0.0000928700000000,  0.0000380600000000,  0.0009730600000000 ]  - [  -0.0000567100000000, -0.0000694400000000,  0.0009844800000000 ]  - [  -0.0000928700000000, -0.0000380600000000,  0.0009730600000000 ]  - [  -0.0000567100000000,  0.0000694400000000,  0.0009844800000000 ]  - [  -0.0000247400000000,  0.0000000000000000,  0.0010244600000000 ]  - [  -0.0001300600000000,  0.0000000000000000,  0.0009466200000000 ]  - [  -0.0000350900000000, -0.0000162500000000,  0.0010201300000000 ]  - [  -0.0001064800000000,  0.0000328100000000,  0.0009657400000000 ]  - [  -0.0000350900000000,  0.0000162500000000,  0.0010201300000000 ]  - [  -0.0001064800000000, -0.0000328100000000,  0.0009657400000000 ]  - [  -0.0388388700000000,  0.0000000000000000, -0.2781724000000000 ]  - [  -0.0002030200000000,  0.0000000000000000, -0.0002031400000000 ]  - [  -0.0000055400000000, -0.0008140400000000, -0.0006468300000000 ]  - [  -0.0002032600000000, -0.0000012600000000, -0.0002019800000000 ]  - [  -0.0000055400000000,  0.0008140400000000, -0.0006468300000000 ]  - [  -0.0002032600000000,  0.0000012600000000, -0.0002019800000000 ]  - [  -0.0002085900000000,  0.0000000000000000,  0.0000098700000000 ]  - [  -0.0001927700000000,  0.0000000000000000, -0.0001684900000000 ]  - [  -0.0001870800000000,  0.0000555500000000, -0.0000640900000000 ]  - [  -0.0001930300000000,  0.0000011100000000, -0.0001680700000000 ]  - [  -0.0001870800000000, -0.0000555500000000, -0.0000640900000000 ]  - [  -0.0001930300000000, -0.0000011100000000, -0.0001680700000000 ]  - [   0.0001997600000000,  0.0000010900000000,  0.0002032700000000 ]  - [   0.0002028600000000,  0.0001550500000000, -0.0000416900000000 ]  - [   0.0001997600000000, -0.0000010900000000,  0.0002032700000000 ]  - [   0.0002028600000000, -0.0001550500000000, -0.0000416900000000 ]  - [   0.0002016800000000,  0.0000000000000000,  0.0001981300000000 ]  - [   0.0001940900000000,  0.0000000000000000,  0.0002554900000000 ]  - [   0.0001951500000000, -0.0000010900000000,  0.0001676200000000 ]  - [  -0.0012285700000000,  0.0020682400000000,  0.0000084100000000 ]  - [   0.0001951500000000,  0.0000010900000000,  0.0001676200000000 ]  - [  -0.0012285700000000, -0.0020682400000000,  0.0000084100000000 ]  - [   0.0001952000000000,  0.0000000000000000,  0.0001700800000000 ]  - [   0.0002788400000000,  0.0000000000000000,  0.0000122300000000 ]  - [   0.0000992100000000,  0.0000015500000000, -0.0001501600000000 ]  - [   0.0001775500000000, -0.0000089400000000, -0.0001650600000000 ]  - [   0.0000992100000000, -0.0000015500000000, -0.0001501600000000 ]  - [   0.0001775500000000,  0.0000089400000000, -0.0001650600000000 ]  - [   0.0001946700000000,  0.0000000000000000, -0.0001797000000000 ]  - [   0.0001894200000000,  0.0000000000000000, -0.0001802500000000 ]  - [   0.0001695000000000, -0.0000086800000000, -0.0001489100000000 ]  - [   0.0002362000000000,  0.0000034000000000, -0.0001627400000000 ]  - [   0.0001695000000000,  0.0000086800000000, -0.0001489100000000 ]  - [   0.0002362000000000, -0.0000034000000000, -0.0001627400000000 ]  - [   0.0001902900000000,  0.0000000000000000, -0.0001799300000000 ]  - [   0.0002202700000000,  0.0000000000000000, -0.0001798500000000 ]  - [  -0.0001894200000000,  0.0000000000000000,  0.0001614300000000 ]  - [  -0.0001653100000000,  0.0000000000000000,  0.0001630700000000 ]  - [  -0.0001964900000000,  0.0000071000000000,  0.0001626300000000 ]  - [  -0.0001650300000000, -0.0000028900000000,  0.0001630600000000 ]  - [  -0.0001964900000000, -0.0000071000000000,  0.0001626300000000 ]  - [  -0.0001650300000000,  0.0000028900000000,  0.0001630600000000 ]  - [  -0.0002021200000000,  0.0000000000000000,  0.0002138400000000 ]  - [  -0.0002562200000000,  0.0000000000000000,  0.0002121100000000 ]  - [  -0.0002000000000000, -0.0000115700000000,  0.0002038600000000 ]  - [  -0.0002364300000000, -0.0000040600000000,  0.0002043200000000 ]  - [  -0.0002000000000000,  0.0000115700000000,  0.0002038600000000 ]  - [  -0.0002364300000000,  0.0000040600000000,  0.0002043200000000 ]  - [   0.0380429400000000,  0.0000000000000000,  0.2494051000000000 ]  - [   0.0005908100000000,  0.0000000000000000,  0.0003351600000000 ]  - [   0.0005120300000000,  0.0010220400000000, -0.0001066100000000 ]  - [   0.0005995300000000,  0.0000032600000000,  0.0003357100000000 ]  - [   0.0005120300000000, -0.0010220400000000, -0.0001066100000000 ]  - [   0.0005995300000000, -0.0000032600000000,  0.0003357100000000 ]  - [   0.0005589900000000,  0.0000000000000000,  0.0000941900000000 ]  - [   0.0005862000000000,  0.0000000000000000,  0.0003260600000000 ]  - [   0.0005674200000000, -0.0000839700000000,  0.0001768000000000 ]  - [   0.0005899400000000, -0.0000029300000000,  0.0003262200000000 ]  - [   0.0005674200000000,  0.0000839700000000,  0.0001768000000000 ]  - [   0.0005899400000000,  0.0000029300000000,  0.0003262200000000 ]  - [  -0.0005906600000000, -0.0000004300000000, -0.0003330300000000 ]  - [  -0.0005043200000000, -0.0001463500000000,  0.0001558100000000 ]  - [  -0.0005906600000000,  0.0000004300000000, -0.0003330300000000 ]  - [  -0.0005043200000000,  0.0001463500000000,  0.0001558100000000 ]  - [  -0.0005987300000000,  0.0000000000000000, -0.0003306500000000 ]  - [  -0.0005735700000000,  0.0000000000000000, -0.0002739400000000 ]  - [  -0.0005921900000000,  0.0000030000000000, -0.0003289500000000 ]  - [   0.0012597300000000,  0.0013771400000000,  0.0137269500000000 ]  - [  -0.0005921900000000, -0.0000030000000000, -0.0003289500000000 ]  - [   0.0012597300000000, -0.0013771400000000,  0.0137269500000000 ]  - [  -0.0005922900000000,  0.0000000000000000, -0.0003298700000000 ]  - [  -0.0007547000000000,  0.0000000000000000, -0.0012787800000000 ]  - [  -0.0004348400000000, -0.0001059500000000,  0.0003553300000000 ]  - [  -0.0005064300000000,  0.0001007000000000,  0.0002050400000000 ]  - [  -0.0004348400000000,  0.0001059500000000,  0.0003553300000000 ]  - [  -0.0005064300000000, -0.0001007000000000,  0.0002050400000000 ]  - [  -0.0006086300000000,  0.0000000000000000,  0.0002418900000000 ]  - [  -0.0005656500000000,  0.0000000000000000,  0.0002257500000000 ]  - [  -0.0006866100000000,  0.0000336200000000,  0.0003856300000000 ]  - [  -0.0006173100000000, -0.0000123900000000,  0.0003764700000000 ]  - [  -0.0006866100000000, -0.0000336200000000,  0.0003856300000000 ]  - [  -0.0006173100000000,  0.0000123900000000,  0.0003764700000000 ]  - [  -0.0006180500000000,  0.0000000000000000,  0.0003925600000000 ]  - [  -0.0006219200000000,  0.0000000000000000,  0.0003916900000000 ]  - [   0.0006725800000000,  0.0000000000000000, -0.0002243200000000 ]  - [   0.0005457500000000,  0.0000000000000000, -0.0000671700000000 ]  - [   0.0005541500000000, -0.0000640100000000, -0.0002159100000000 ]  - [   0.0005340400000000,  0.0000087200000000, -0.0002277900000000 ]  - [   0.0005541500000000,  0.0000640100000000, -0.0002159100000000 ]  - [   0.0005340400000000, -0.0000087200000000, -0.0002277900000000 ]  - [   0.0006267400000000,  0.0000000000000000, -0.0003992700000000 ]  - [   0.0007473700000000,  0.0000000000000000, -0.0003683400000000 ]  - [   0.0006235500000000,  0.0000395900000000, -0.0003808800000000 ]  - [   0.0006861000000000, -0.0000121000000000, -0.0003713800000000 ]  - [   0.0006235500000000, -0.0000395900000000, -0.0003808800000000 ]  - [   0.0006861000000000,  0.0000121000000000, -0.0003713800000000 ]- atom:   49  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0004376400000000,  0.0000000000000000, -0.0055735900000000 ]  - [  -0.0000659400000000,  0.0000000000000000, -0.0010193700000000 ]  - [  -0.0000719500000000,  0.0000380700000000, -0.0010302000000000 ]  - [  -0.0000612100000000,  0.0000013300000000, -0.0010144600000000 ]  - [  -0.0000719500000000, -0.0000380700000000, -0.0010302000000000 ]  - [  -0.0000612100000000, -0.0000013300000000, -0.0010144600000000 ]  - [  -0.0000547200000000,  0.0000000000000000, -0.0009944000000000 ]  - [  -0.0000572800000000,  0.0000000000000000, -0.0009868200000000 ]  - [  -0.0000611800000000, -0.0000021800000000, -0.0010122900000000 ]  - [  -0.0000595700000000,  0.0000006900000000, -0.0009891100000000 ]  - [  -0.0000611800000000,  0.0000021800000000, -0.0010122900000000 ]  - [  -0.0000595700000000, -0.0000006900000000, -0.0009891100000000 ]  - [   0.0000626300000000, -0.0000003800000000,  0.0010152100000000 ]  - [   0.0000447200000000, -0.0000149700000000,  0.0010503500000000 ]  - [   0.0000626300000000,  0.0000003800000000,  0.0010152100000000 ]  - [   0.0000447200000000,  0.0000149700000000,  0.0010503500000000 ]  - [   0.0000615400000000,  0.0000000000000000,  0.0010134400000000 ]  - [   0.0000670600000000,  0.0000000000000000,  0.0010232300000000 ]  - [   0.0000597900000000,  0.0000011900000000,  0.0009885400000000 ]  - [   0.0002386700000000,  0.0002062500000000,  0.0015053500000000 ]  - [   0.0000597900000000, -0.0000011900000000,  0.0009885400000000 ]  - [   0.0002386700000000, -0.0002062500000000,  0.0015053500000000 ]  - [   0.0000586500000000,  0.0000000000000000,  0.0009909000000000 ]  - [   0.0000772200000000,  0.0000000000000000,  0.0009375800000000 ]  - [   0.0000334000000000, -0.0001668300000000, -0.0008845100000000 ]  - [   0.0000029300000000,  0.0000635400000000, -0.0010372100000000 ]  - [   0.0000334000000000,  0.0001668300000000, -0.0008845100000000 ]  - [   0.0000029300000000, -0.0000635400000000, -0.0010372100000000 ]  - [   0.0000726900000000,  0.0000000000000000, -0.0010212000000000 ]  - [   0.0000476200000000,  0.0000000000000000, -0.0010177900000000 ]  - [   0.0000274700000000,  0.0000183900000000, -0.0009095500000000 ]  - [   0.0000911800000000, -0.0000073800000000, -0.0010007500000000 ]  - [   0.0000274700000000, -0.0000183900000000, -0.0009095500000000 ]  - [   0.0000911800000000,  0.0000073800000000, -0.0010007500000000 ]  - [   0.0000361300000000,  0.0000000000000000, -0.0009760800000000 ]  - [   0.0000840000000000,  0.0000000000000000, -0.0009931000000000 ]  - [  -0.0000007600000000,  0.0000000000000000,  0.0010498000000000 ]  - [   0.0002151400000000,  0.0000000000000000,  0.0013267500000000 ]  - [  -0.0000287600000000, -0.0000368900000000,  0.0010311600000000 ]  - [  -0.0000627200000000,  0.0000682400000000,  0.0010209100000000 ]  - [  -0.0000287600000000,  0.0000368900000000,  0.0010311600000000 ]  - [  -0.0000627200000000, -0.0000682400000000,  0.0010209100000000 ]  - [  -0.0000935700000000,  0.0000000000000000,  0.0009812200000000 ]  - [   0.0000066900000000,  0.0000000000000000,  0.0010571500000000 ]  - [  -0.0000855700000000,  0.0000159700000000,  0.0009856400000000 ]  - [  -0.0000145700000000, -0.0000323300000000,  0.0010383000000000 ]  - [  -0.0000855700000000, -0.0000159700000000,  0.0009856400000000 ]  - [  -0.0000145700000000,  0.0000323300000000,  0.0010383000000000 ]  - [   0.0415742400000000,  0.0000000000000000,  0.2940183500000000 ]  - [  -0.0001910600000000,  0.0000000000000000, -0.0001605600000000 ]  - [  -0.0003908600000000,  0.0008075300000000,  0.0002720900000000 ]  - [  -0.0001916800000000,  0.0000011600000000, -0.0001673200000000 ]  - [  -0.0003908600000000, -0.0008075300000000,  0.0002720900000000 ]  - [  -0.0001916800000000, -0.0000011600000000, -0.0001673200000000 ]  - [  -0.0001861800000000,  0.0000000000000000, -0.0003713300000000 ]  - [  -0.0002024400000000,  0.0000000000000000, -0.0002022500000000 ]  - [  -0.0002073100000000, -0.0000541200000000, -0.0002990500000000 ]  - [  -0.0002015200000000, -0.0000009700000000, -0.0001984000000000 ]  - [  -0.0002073100000000,  0.0000541200000000, -0.0002990500000000 ]  - [  -0.0002015200000000,  0.0000009700000000, -0.0001984000000000 ]  - [   0.0001951600000000, -0.0000011700000000,  0.0001643400000000 ]  - [   0.0001908500000000, -0.0001472500000000,  0.0003988500000000 ]  - [   0.0001951600000000,  0.0000011700000000,  0.0001643400000000 ]  - [   0.0001908500000000,  0.0001472500000000,  0.0003988500000000 ]  - [   0.0001932100000000,  0.0000000000000000,  0.0001690200000000 ]  - [   0.0002001900000000,  0.0000000000000000,  0.0001118400000000 ]  - [   0.0001992500000000,  0.0000011900000000,  0.0001974300000000 ]  - [   0.0016134900000000, -0.0020525700000000,  0.0003561900000000 ]  - [   0.0001992500000000, -0.0000011900000000,  0.0001974300000000 ]  - [   0.0016134900000000,  0.0020525700000000,  0.0003561900000000 ]  - [   0.0001996500000000,  0.0000000000000000,  0.0001983700000000 ]  - [   0.0001173600000000,  0.0000000000000000,  0.0003534600000000 ]  - [   0.0002935300000000, -0.0000014200000000, -0.0002153900000000 ]  - [   0.0002164900000000,  0.0000087700000000, -0.0002032300000000 ]  - [   0.0002935300000000,  0.0000014200000000, -0.0002153900000000 ]  - [   0.0002164900000000, -0.0000087700000000, -0.0002032300000000 ]  - [   0.0001999700000000,  0.0000000000000000, -0.0001853200000000 ]  - [   0.0002048900000000,  0.0000000000000000, -0.0001877600000000 ]  - [   0.0002237500000000,  0.0000082000000000, -0.0002158800000000 ]  - [   0.0001592500000000, -0.0000033300000000, -0.0002023100000000 ]  - [   0.0002237500000000, -0.0000082000000000, -0.0002158800000000 ]  - [   0.0001592500000000,  0.0000033300000000, -0.0002023100000000 ]  - [   0.0002042100000000,  0.0000000000000000, -0.0001869300000000 ]  - [   0.0001751900000000,  0.0000000000000000, -0.0001886800000000 ]  - [  -0.0002051400000000,  0.0000000000000000,  0.0002023900000000 ]  - [  -0.0002278300000000,  0.0000000000000000,  0.0002040200000000 ]  - [  -0.0001982600000000, -0.0000068200000000,  0.0002040500000000 ]  - [  -0.0002289100000000,  0.0000029300000000,  0.0002044300000000 ]  - [  -0.0001982600000000,  0.0000068200000000,  0.0002040500000000 ]  - [  -0.0002289100000000, -0.0000029300000000,  0.0002044300000000 ]  - [  -0.0001924900000000,  0.0000000000000000,  0.0001560000000000 ]  - [  -0.0001400200000000,  0.0000000000000000,  0.0001547300000000 ]  - [  -0.0001943000000000,  0.0000112600000000,  0.0001637000000000 ]  - [  -0.0001594700000000,  0.0000039900000000,  0.0001640900000000 ]  - [  -0.0001943000000000, -0.0000112600000000,  0.0001637000000000 ]  - [  -0.0001594700000000, -0.0000039900000000,  0.0001640900000000 ]  - [  -0.0400297500000000,  0.0000000000000000, -0.2652816600000000 ]  - [   0.0005933200000000,  0.0000000000000000,  0.0003241400000000 ]  - [   0.0006591800000000, -0.0010114000000000,  0.0007838200000000 ]  - [   0.0005834900000000, -0.0000023400000000,  0.0003255900000000 ]  - [   0.0006591800000000,  0.0010114000000000,  0.0007838200000000 ]  - [   0.0005834900000000,  0.0000023400000000,  0.0003255900000000 ]  - [   0.0006276200000000,  0.0000000000000000,  0.0005543300000000 ]  - [   0.0005956100000000,  0.0000000000000000,  0.0003360400000000 ]  - [   0.0006189800000000,  0.0000812000000000,  0.0004774100000000 ]  - [   0.0005936800000000,  0.0000033700000000,  0.0003335900000000 ]  - [   0.0006189800000000, -0.0000812000000000,  0.0004774100000000 ]  - [   0.0005936800000000, -0.0000033700000000,  0.0003335900000000 ]  - [  -0.0005935000000000,  0.0000018200000000, -0.0003265700000000 ]  - [  -0.0006797500000000,  0.0001400300000000, -0.0007935300000000 ]  - [  -0.0005935000000000, -0.0000018200000000, -0.0003265700000000 ]  - [  -0.0006797500000000, -0.0001400300000000, -0.0007935300000000 ]  - [  -0.0005849600000000,  0.0000000000000000, -0.0003295000000000 ]  - [  -0.0006129600000000,  0.0000000000000000, -0.0003816500000000 ]  - [  -0.0005912900000000, -0.0000047900000000, -0.0003311400000000 ]  - [  -0.0024426000000000, -0.0013593200000000, -0.0143196900000000 ]  - [  -0.0005912900000000,  0.0000047900000000, -0.0003311400000000 ]  - [  -0.0024426000000000,  0.0013593200000000, -0.0143196900000000 ]  - [  -0.0005914100000000,  0.0000000000000000, -0.0003304500000000 ]  - [  -0.0004230700000000,  0.0000000000000000,  0.0006064000000000 ]  - [  -0.0007470600000000,  0.0001014100000000,  0.0003039200000000 ]  - [  -0.0006760900000000, -0.0000983800000000,  0.0004519400000000 ]  - [  -0.0007470600000000, -0.0001014100000000,  0.0003039200000000 ]  - [  -0.0006760900000000,  0.0000983800000000,  0.0004519400000000 ]  - [  -0.0005784500000000,  0.0000000000000000,  0.0004133700000000 ]  - [  -0.0006188000000000,  0.0000000000000000,  0.0004313900000000 ]  - [  -0.0005006400000000, -0.0000317700000000,  0.0002731200000000 ]  - [  -0.0005685200000000,  0.0000118100000000,  0.0002829200000000 ]  - [  -0.0005006400000000,  0.0000317700000000,  0.0002731200000000 ]  - [  -0.0005685200000000, -0.0000118100000000,  0.0002829200000000 ]  - [  -0.0005673400000000,  0.0000000000000000,  0.0002681200000000 ]  - [  -0.0005627400000000,  0.0000000000000000,  0.0002694300000000 ]  - [   0.0005158900000000,  0.0000000000000000, -0.0004296900000000 ]  - [   0.0006367500000000,  0.0000000000000000, -0.0005861000000000 ]  - [   0.0006290800000000,  0.0000617000000000, -0.0004406600000000 ]  - [   0.0006489000000000, -0.0000086400000000, -0.0004294200000000 ]  - [   0.0006290800000000, -0.0000617000000000, -0.0004406600000000 ]  - [   0.0006489000000000,  0.0000086400000000, -0.0004294200000000 ]  - [   0.0005579200000000,  0.0000000000000000, -0.0002629300000000 ]  - [   0.0004399800000000,  0.0000000000000000, -0.0002919600000000 ]  - [   0.0005623600000000, -0.0000380500000000, -0.0002791800000000 ]  - [   0.0004999900000000,  0.0000132500000000, -0.0002892700000000 ]  - [   0.0005623600000000,  0.0000380500000000, -0.0002791800000000 ]  - [   0.0004999900000000, -0.0000132500000000, -0.0002892700000000 ]- atom:   97  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.2545745600000000,  0.0000000000000000,  0.0303483700000000 ]  - [  -0.0000836100000000,  0.0000000000000000, -0.0010083500000000 ]  - [  -0.0005762600000000, -0.0015766200000000, -0.0007803800000000 ]  - [  -0.0000763300000000,  0.0000065900000000, -0.0010021500000000 ]  - [  -0.0005762600000000,  0.0015766200000000, -0.0007803800000000 ]  - [  -0.0000763300000000, -0.0000065900000000, -0.0010021500000000 ]  - [  -0.0000192100000000,  0.0000000000000000, -0.0008916800000000 ]  - [  -0.0000756200000000,  0.0000000000000000, -0.0010061100000000 ]  - [  -0.0000166300000000, -0.0000062900000000, -0.0009245400000000 ]  - [  -0.0000753800000000,  0.0000022300000000, -0.0010041800000000 ]  - [  -0.0000166300000000,  0.0000062900000000, -0.0009245400000000 ]  - [  -0.0000753800000000, -0.0000022300000000, -0.0010041800000000 ]  - [   0.0000387300000000,  0.0000076200000000,  0.0010015300000000 ]  - [   0.0000364800000000, -0.0000005200000000,  0.0009070300000000 ]  - [   0.0000387300000000, -0.0000076200000000,  0.0010015300000000 ]  - [   0.0000364800000000,  0.0000005200000000,  0.0009070300000000 ]  - [   0.0000442600000000,  0.0000000000000000,  0.0010118900000000 ]  - [   0.0000458900000000,  0.0000000000000000,  0.0009535000000000 ]  - [   0.0000277900000000,  0.0000180900000000,  0.0009896700000000 ]  - [   0.0135656700000000, -0.0259395200000000, -0.0121838700000000 ]  - [   0.0000277900000000, -0.0000180900000000,  0.0009896700000000 ]  - [   0.0135656700000000,  0.0259395200000000, -0.0121838700000000 ]  - [   0.0000375300000000,  0.0000000000000000,  0.0009943000000000 ]  - [  -0.0008527900000000,  0.0000000000000000,  0.0008386000000000 ]  - [   0.0002091700000000,  0.0000189900000000, -0.0013079200000000 ]  - [   0.0000279900000000, -0.0000451200000000, -0.0009879900000000 ]  - [   0.0002091700000000, -0.0000189900000000, -0.0013079200000000 ]  - [   0.0000279900000000,  0.0000451200000000, -0.0009879900000000 ]  - [   0.0001456400000000,  0.0000000000000000, -0.0009701800000000 ]  - [   0.0000125800000000,  0.0000000000000000, -0.0010123400000000 ]  - [   0.0000696500000000,  0.0001826000000000, -0.0007591000000000 ]  - [   0.0000311700000000,  0.0000161000000000, -0.0010967000000000 ]  - [   0.0000696500000000, -0.0001826000000000, -0.0007591000000000 ]  - [   0.0000311700000000, -0.0000161000000000, -0.0010967000000000 ]  - [   0.0001473100000000,  0.0000000000000000, -0.0010990900000000 ]  - [   0.0000199300000000,  0.0000000000000000, -0.0010104800000000 ]  - [  -0.0001258700000000,  0.0000000000000000,  0.0013738400000000 ]  - [   0.0001664300000000,  0.0000000000000000,  0.0011039600000000 ]  - [  -0.0000073500000000, -0.0000139300000000,  0.0010567000000000 ]  - [  -0.0001034000000000, -0.0000086200000000,  0.0010268500000000 ]  - [  -0.0000073500000000,  0.0000139300000000,  0.0010567000000000 ]  - [  -0.0001034000000000,  0.0000086200000000,  0.0010268500000000 ]  - [  -0.0000712000000000,  0.0000000000000000,  0.0010159400000000 ]  - [  -0.0001429200000000,  0.0000000000000000,  0.0010122700000000 ]  - [  -0.0000472900000000,  0.0000524800000000,  0.0010118000000000 ]  - [  -0.0000455100000000, -0.0000305500000000,  0.0010757700000000 ]  - [  -0.0000472900000000, -0.0000524800000000,  0.0010118000000000 ]  - [  -0.0000455100000000,  0.0000305500000000,  0.0010757700000000 ]  - [   0.0466659800000000,  0.0000000000000000,  0.0379847200000000 ]  - [  -0.0001781500000000,  0.0000000000000000, -0.0001877300000000 ]  - [  -0.0003226800000000,  0.0001729900000000, -0.0002620500000000 ]  - [  -0.0001899400000000, -0.0000002800000000, -0.0001810200000000 ]  - [  -0.0003226800000000, -0.0001729900000000, -0.0002620500000000 ]  - [  -0.0001899400000000,  0.0000002800000000, -0.0001810200000000 ]  - [  -0.0002269800000000,  0.0000000000000000, -0.0002189300000000 ]  - [  -0.0001917300000000,  0.0000000000000000, -0.0001942400000000 ]  - [  -0.0001704000000000,  0.0000312600000000, -0.0002103800000000 ]  - [  -0.0001933200000000,  0.0000011300000000, -0.0001891500000000 ]  - [  -0.0001704000000000, -0.0000312600000000, -0.0002103800000000 ]  - [  -0.0001933200000000, -0.0000011300000000, -0.0001891500000000 ]  - [   0.0002115700000000,  0.0000025800000000,  0.0001889900000000 ]  - [   0.0002621900000000, -0.0000666000000000,  0.0002710300000000 ]  - [   0.0002115700000000, -0.0000025800000000,  0.0001889900000000 ]  - [   0.0002621900000000,  0.0000666000000000,  0.0002710300000000 ]  - [   0.0002028500000000,  0.0000000000000000,  0.0001808000000000 ]  - [   0.0001477900000000,  0.0000000000000000,  0.0002050300000000 ]  - [   0.0001979900000000, -0.0000004900000000,  0.0001869400000000 ]  - [  -0.0008949500000000,  0.0042543500000000,  0.0020526100000000 ]  - [   0.0001979900000000,  0.0000004900000000,  0.0001869400000000 ]  - [  -0.0008949500000000, -0.0042543500000000,  0.0020526100000000 ]  - [   0.0002081700000000,  0.0000000000000000,  0.0001883100000000 ]  - [   0.0003580200000000,  0.0000000000000000,  0.0000240100000000 ]  - [   0.0002314100000000, -0.0000722600000000, -0.0000918800000000 ]  - [   0.0002158700000000,  0.0000175800000000, -0.0001640400000000 ]  - [   0.0002314100000000,  0.0000722600000000, -0.0000918800000000 ]  - [   0.0002158700000000, -0.0000175800000000, -0.0001640400000000 ]  - [   0.0002453100000000,  0.0000000000000000, -0.0001604300000000 ]  - [   0.0002351200000000,  0.0000000000000000, -0.0001582400000000 ]  - [   0.0006734300000000,  0.0002735500000000, -0.0003458500000000 ]  - [   0.0000483300000000, -0.0000346900000000, -0.0002679900000000 ]  - [   0.0006734300000000, -0.0002735500000000, -0.0003458500000000 ]  - [   0.0000483300000000,  0.0000346900000000, -0.0002679900000000 ]  - [   0.0001593400000000,  0.0000000000000000, -0.0001714200000000 ]  - [   0.0001953600000000,  0.0000000000000000, -0.0002132800000000 ]  - [   0.0006901900000000,  0.0000000000000000,  0.0002360700000000 ]  - [  -0.0000518400000000,  0.0000000000000000,  0.0001040100000000 ]  - [  -0.0001894000000000, -0.0001322800000000,  0.0002449000000000 ]  - [  -0.0002880400000000, -0.0000424500000000,  0.0002229900000000 ]  - [  -0.0001894000000000,  0.0001322800000000,  0.0002449000000000 ]  - [  -0.0002880400000000,  0.0000424500000000,  0.0002229900000000 ]  - [  -0.0002489800000000,  0.0000000000000000,  0.0000337200000000 ]  - [  -0.0002483500000000,  0.0000000000000000,  0.0001522200000000 ]  - [  -0.0002535400000000,  0.0000971600000000,  0.0000935000000000 ]  - [  -0.0001763800000000,  0.0000094100000000,  0.0001568700000000 ]  - [  -0.0002535400000000, -0.0000971600000000,  0.0000935000000000 ]  - [  -0.0001763800000000, -0.0000094100000000,  0.0001568700000000 ]  - [  -0.4941956600000000,  0.0000000000000000, -0.0140851700000000 ]  - [   0.0005816700000000,  0.0000000000000000,  0.0003304700000000 ]  - [  -0.0052939100000000, -0.0086217200000000,  0.0078893800000000 ]  - [   0.0005902200000000, -0.0000129200000000,  0.0003157800000000 ]  - [  -0.0052939100000000,  0.0086217200000000,  0.0078893800000000 ]  - [   0.0005902200000000,  0.0000129200000000,  0.0003157800000000 ]  - [   0.0004068200000000,  0.0000000000000000,  0.0001597400000000 ]  - [   0.0006142900000000,  0.0000000000000000,  0.0003457800000000 ]  - [   0.0003743200000000, -0.0000236500000000,  0.0000932100000000 ]  - [   0.0006124200000000, -0.0000071700000000,  0.0003398800000000 ]  - [   0.0003743200000000,  0.0000236500000000,  0.0000932100000000 ]  - [   0.0006124200000000,  0.0000071700000000,  0.0003398800000000 ]  - [  -0.0005925800000000, -0.0000061800000000, -0.0003356600000000 ]  - [  -0.0004537600000000,  0.0000223900000000, -0.0001393300000000 ]  - [  -0.0005925800000000,  0.0000061800000000, -0.0003356600000000 ]  - [  -0.0004537600000000, -0.0000223900000000, -0.0001393300000000 ]  - [  -0.0005998500000000,  0.0000000000000000, -0.0003304900000000 ]  - [  -0.0003738700000000,  0.0000000000000000, -0.0001064700000000 ]  - [  -0.0005323100000000, -0.0000070800000000, -0.0003115100000000 ]  - [   0.0878886700000000, -0.0391895300000000, -0.0223547600000000 ]  - [  -0.0005323100000000,  0.0000070800000000, -0.0003115100000000 ]  - [   0.0878886700000000,  0.0391895300000000, -0.0223547600000000 ]  - [  -0.0005947800000000,  0.0000000000000000, -0.0003108700000000 ]  - [   0.0036889400000000,  0.0000000000000000, -0.0036653200000000 ]  - [  -0.0010490600000000,  0.0003179700000000,  0.0002839000000000 ]  - [  -0.0005323400000000,  0.0000153900000000,  0.0002945000000000 ]  - [  -0.0010490600000000, -0.0003179700000000,  0.0002839000000000 ]  - [  -0.0005323400000000, -0.0000153900000000,  0.0002945000000000 ]  - [  -0.0008896000000000,  0.0000000000000000,  0.0003876900000000 ]  - [  -0.0006584100000000,  0.0000000000000000,  0.0004240200000000 ]  - [  -0.0010553000000000, -0.0002625500000000,  0.0005748900000000 ]  - [  -0.0005315600000000, -0.0000310300000000,  0.0004087600000000 ]  - [  -0.0010553000000000,  0.0002625500000000,  0.0005748900000000 ]  - [  -0.0005315600000000,  0.0000310300000000,  0.0004087600000000 ]  - [  -0.0008874700000000,  0.0000000000000000,  0.0003059500000000 ]  - [  -0.0006577300000000,  0.0000000000000000,  0.0003624800000000 ]  - [   0.0002961000000000,  0.0000000000000000, -0.0006052700000000 ]  - [   0.0003041300000000,  0.0000000000000000, -0.0002492200000000 ]  - [   0.0008123800000000, -0.0000145700000000, -0.0004439500000000 ]  - [   0.0008110900000000,  0.0000530600000000, -0.0004400300000000 ]  - [   0.0008123800000000,  0.0000145700000000, -0.0004439500000000 ]  - [   0.0008110900000000, -0.0000530600000000, -0.0004400300000000 ]  - [   0.0008832700000000,  0.0000000000000000, -0.0002714700000000 ]  - [   0.0008822100000000,  0.0000000000000000, -0.0003188400000000 ]  - [   0.0007203300000000, -0.0001771000000000, -0.0004784300000000 ]  - [   0.0007182100000000, -0.0000651900000000, -0.0003406400000000 ]  - [   0.0007203300000000,  0.0001771000000000, -0.0004784300000000 ]  - [   0.0007182100000000,  0.0000651900000000, -0.0003406400000000 ]- atom:   97  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.2726110400000000,  0.0000000000000000, -0.0348256400000000 ]  - [  -0.0000397500000000,  0.0000000000000000, -0.0009979600000000 ]  - [   0.0004658700000000,  0.0015296900000000, -0.0012315700000000 ]  - [  -0.0000399500000000, -0.0000062900000000, -0.0010029400000000 ]  - [   0.0004658700000000, -0.0015296900000000, -0.0012315700000000 ]  - [  -0.0000399500000000,  0.0000062900000000, -0.0010029400000000 ]  - [  -0.0000944400000000,  0.0000000000000000, -0.0011126600000000 ]  - [  -0.0000382200000000,  0.0000000000000000, -0.0009981100000000 ]  - [  -0.0000983300000000,  0.0000057500000000, -0.0010800300000000 ]  - [  -0.0000436300000000, -0.0000017900000000, -0.0010007100000000 ]  - [  -0.0000983300000000, -0.0000057500000000, -0.0010800300000000 ]  - [  -0.0000436300000000,  0.0000017900000000, -0.0010007100000000 ]  - [   0.0000752800000000, -0.0000072800000000,  0.0010019600000000 ]  - [   0.0000823000000000,  0.0000002000000000,  0.0010984900000000 ]  - [   0.0000752800000000,  0.0000072800000000,  0.0010019600000000 ]  - [   0.0000823000000000, -0.0000002000000000,  0.0010984900000000 ]  - [   0.0000701300000000,  0.0000000000000000,  0.0009922800000000 ]  - [   0.0000734200000000,  0.0000000000000000,  0.0010515000000000 ]  - [   0.0000878400000000, -0.0000173300000000,  0.0010157700000000 ]  - [  -0.0131270300000000,  0.0256735900000000,  0.0141057600000000 ]  - [   0.0000878400000000,  0.0000173300000000,  0.0010157700000000 ]  - [  -0.0131270300000000, -0.0256735900000000,  0.0141057600000000 ]  - [   0.0000747200000000,  0.0000000000000000,  0.0010107700000000 ]  - [   0.0009703500000000,  0.0000000000000000,  0.0011644300000000 ]  - [  -0.0000920700000000, -0.0000102700000000, -0.0007100500000000 ]  - [   0.0000847000000000,  0.0000459200000000, -0.0010172900000000 ]  - [  -0.0000920700000000,  0.0000102700000000, -0.0007100500000000 ]  - [   0.0000847000000000, -0.0000459200000000, -0.0010172900000000 ]  - [  -0.0000258500000000,  0.0000000000000000, -0.0010341600000000 ]  - [   0.0001010200000000,  0.0000000000000000, -0.0009930200000000 ]  - [   0.0000523400000000, -0.0001797100000000, -0.0012429600000000 ]  - [   0.0000852900000000, -0.0000152600000000, -0.0009068400000000 ]  - [   0.0000523400000000,  0.0001797100000000, -0.0012429600000000 ]  - [   0.0000852900000000,  0.0000152600000000, -0.0009068400000000 ]  - [  -0.0000288800000000,  0.0000000000000000, -0.0009080500000000 ]  - [   0.0000932700000000,  0.0000000000000000, -0.0009937000000000 ]  - [   0.0000010000000000,  0.0000000000000000,  0.0006420800000000 ]  - [  -0.0002903500000000,  0.0000000000000000,  0.0009096900000000 ]  - [  -0.0001100700000000,  0.0000156400000000,  0.0009480300000000 ]  - [  -0.0000147300000000,  0.0000094900000000,  0.0009810900000000 ]  - [  -0.0001100700000000, -0.0000156400000000,  0.0009480300000000 ]  - [  -0.0000147300000000, -0.0000094900000000,  0.0009810900000000 ]  - [  -0.0000433500000000,  0.0000000000000000,  0.0009903000000000 ]  - [   0.0000199800000000,  0.0000000000000000,  0.0009874500000000 ]  - [  -0.0000696200000000, -0.0000518600000000,  0.0009941000000000 ]  - [  -0.0000724300000000,  0.0000309100000000,  0.0009287800000000 ]  - [  -0.0000696200000000,  0.0000518600000000,  0.0009941000000000 ]  - [  -0.0000724300000000, -0.0000309100000000,  0.0009287800000000 ]  - [  -0.0484338900000000,  0.0000000000000000, -0.0399963400000000 ]  - [  -0.0002149200000000,  0.0000000000000000, -0.0001803500000000 ]  - [  -0.0000843700000000, -0.0001780000000000, -0.0001124800000000 ]  - [  -0.0002044900000000,  0.0000001800000000, -0.0001932700000000 ]  - [  -0.0000843700000000,  0.0001780000000000, -0.0001124800000000 ]  - [  -0.0002044900000000, -0.0000001800000000, -0.0001932700000000 ]  - [  -0.0001684000000000,  0.0000000000000000, -0.0001497200000000 ]  - [  -0.0002037400000000,  0.0000000000000000, -0.0001820300000000 ]  - [  -0.0002242500000000, -0.0000309300000000, -0.0001585700000000 ]  - [  -0.0002014000000000, -0.0000009000000000, -0.0001819700000000 ]  - [  -0.0002242500000000,  0.0000309300000000, -0.0001585700000000 ]  - [  -0.0002014000000000,  0.0000009000000000, -0.0001819700000000 ]  - [   0.0001853200000000, -0.0000024700000000,  0.0001831800000000 ]  - [   0.0001279500000000,  0.0000692600000000,  0.0000962700000000 ]  - [   0.0001853200000000,  0.0000024700000000,  0.0001831800000000 ]  - [   0.0001279500000000, -0.0000692600000000,  0.0000962700000000 ]  - [   0.0001935800000000,  0.0000000000000000,  0.0001910500000000 ]  - [   0.0002449500000000,  0.0000000000000000,  0.0001658600000000 ]  - [   0.0001971800000000,  0.0000005100000000,  0.0001827500000000 ]  - [   0.0013334200000000, -0.0042146600000000, -0.0016451600000000 ]  - [   0.0001971800000000, -0.0000005100000000,  0.0001827500000000 ]  - [   0.0013334200000000,  0.0042146600000000, -0.0016451600000000 ]  - [   0.0001876800000000,  0.0000000000000000,  0.0001851300000000 ]  - [   0.0000353500000000,  0.0000000000000000,  0.0003514000000000 ]  - [   0.0001603100000000,  0.0000699700000000, -0.0002739800000000 ]  - [   0.0001785400000000, -0.0000163300000000, -0.0002110600000000 ]  - [   0.0001603100000000, -0.0000699700000000, -0.0002739800000000 ]  - [   0.0001785400000000,  0.0000163300000000, -0.0002110600000000 ]  - [   0.0001508800000000,  0.0000000000000000, -0.0002077800000000 ]  - [   0.0001594500000000,  0.0000000000000000, -0.0002155300000000 ]  - [  -0.0002679600000000, -0.0002676200000000, -0.0000307600000000 ]  - [   0.0003468700000000,  0.0000331200000000, -0.0000976800000000 ]  - [  -0.0002679600000000,  0.0002676200000000, -0.0000307600000000 ]  - [   0.0003468700000000, -0.0000331200000000, -0.0000976800000000 ]  - [   0.0002353900000000,  0.0000000000000000, -0.0001993900000000 ]  - [   0.0002000000000000,  0.0000000000000000, -0.0001597400000000 ]  - [  -0.0010632000000000,  0.0000000000000000,  0.0001413300000000 ]  - [  -0.0003358100000000,  0.0000000000000000,  0.0002609500000000 ]  - [  -0.0002048200000000,  0.0001288700000000,  0.0001272300000000 ]  - [  -0.0001056600000000,  0.0000427700000000,  0.0001478100000000 ]  - [  -0.0002048200000000, -0.0001288700000000,  0.0001272300000000 ]  - [  -0.0001056600000000, -0.0000427700000000,  0.0001478100000000 ]  - [  -0.0001479500000000,  0.0000000000000000,  0.0003364400000000 ]  - [  -0.0001498500000000,  0.0000000000000000,  0.0002197900000000 ]  - [  -0.0001430800000000, -0.0000945700000000,  0.0002755800000000 ]  - [  -0.0002192600000000, -0.0000098500000000,  0.0002165600000000 ]  - [  -0.0001430800000000,  0.0000945700000000,  0.0002755800000000 ]  - [  -0.0002192600000000,  0.0000098500000000,  0.0002165600000000 ]  - [   0.5148481800000000,  0.0000000000000000,  0.0203736300000000 ]  - [   0.0006049300000000,  0.0000000000000000,  0.0003284900000000 ]  - [   0.0065459200000000,  0.0085829000000000, -0.0071598500000000 ]  - [   0.0005948000000000,  0.0000134500000000,  0.0003443500000000 ]  - [   0.0065459200000000, -0.0085829000000000, -0.0071598500000000 ]  - [   0.0005948000000000, -0.0000134500000000,  0.0003443500000000 ]  - [   0.0007758100000000,  0.0000000000000000,  0.0004878400000000 ]  - [   0.0005699600000000,  0.0000000000000000,  0.0003157700000000 ]  - [   0.0008089900000000,  0.0000229300000000,  0.0005574400000000 ]  - [   0.0005733100000000,  0.0000073700000000,  0.0003193700000000 ]  - [   0.0008089900000000, -0.0000229300000000,  0.0005574400000000 ]  - [   0.0005733100000000, -0.0000073700000000,  0.0003193700000000 ]  - [  -0.0005919700000000,  0.0000076200000000, -0.0003222500000000 ]  - [  -0.0007305600000000, -0.0000221800000000, -0.0005106400000000 ]  - [  -0.0005919700000000, -0.0000076200000000, -0.0003222500000000 ]  - [  -0.0007305600000000,  0.0000221800000000, -0.0005106400000000 ]  - [  -0.0005843300000000,  0.0000000000000000, -0.0003283300000000 ]  - [  -0.0008115100000000,  0.0000000000000000, -0.0005464500000000 ]  - [  -0.0006499900000000,  0.0000043800000000, -0.0003468000000000 ]  - [  -0.0896201900000000,  0.0380697700000000,  0.0209356600000000 ]  - [  -0.0006499900000000, -0.0000043800000000, -0.0003468000000000 ]  - [  -0.0896201900000000, -0.0380697700000000,  0.0209356600000000 ]  - [  -0.0005899100000000,  0.0000000000000000, -0.0003473200000000 ]  - [  -0.0047897200000000,  0.0000000000000000,  0.0029816900000000 ]  - [  -0.0001434400000000, -0.0003159900000000,  0.0003776900000000 ]  - [  -0.0006523000000000, -0.0000183800000000,  0.0003629900000000 ]  - [  -0.0001434400000000,  0.0003159900000000,  0.0003776900000000 ]  - [  -0.0006523000000000,  0.0000183800000000,  0.0003629900000000 ]  - [  -0.0003076000000000,  0.0000000000000000,  0.0002662500000000 ]  - [  -0.0005269100000000,  0.0000000000000000,  0.0002349500000000 ]  - [  -0.0001503700000000,  0.0002561600000000,  0.0000942400000000 ]  - [  -0.0006514700000000,  0.0000290200000000,  0.0002429600000000 ]  - [  -0.0001503700000000, -0.0002561600000000,  0.0000942400000000 ]  - [  -0.0006514700000000, -0.0000290200000000,  0.0002429600000000 ]  - [  -0.0003061100000000,  0.0000000000000000,  0.0003525700000000 ]  - [  -0.0005260400000000,  0.0000000000000000,  0.0002965800000000 ]  - [   0.0008825900000000,  0.0000000000000000, -0.0000593800000000 ]  - [   0.0008877900000000,  0.0000000000000000, -0.0004033600000000 ]  - [   0.0003779600000000,  0.0000098500000000, -0.0002116900000000 ]  - [   0.0003745700000000, -0.0000548600000000, -0.0002195000000000 ]  - [   0.0003779600000000, -0.0000098500000000, -0.0002116900000000 ]  - [   0.0003745700000000,  0.0000548600000000, -0.0002195000000000 ]  - [   0.0003124300000000,  0.0000000000000000, -0.0003908100000000 ]  - [   0.0003087000000000,  0.0000000000000000, -0.0003380300000000 ]  - [   0.0004722200000000,  0.0001740000000000, -0.0001868000000000 ]  - [   0.0004675700000000,  0.0000674000000000, -0.0003183500000000 ]  - [   0.0004722200000000, -0.0001740000000000, -0.0001868000000000 ]  - [   0.0004675700000000, -0.0000674000000000, -0.0003183500000000 ]- atom:   97  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0009992400000000,  0.0388783600000000, -0.0010709200000000 ]  - [  -0.0000612600000000, -0.0000124300000000, -0.0010027800000000 ]  - [   0.0009237700000000, -0.0018709200000000, -0.0015281000000000 ]  - [  -0.0000612900000000,  0.0000061300000000, -0.0010037900000000 ]  - [  -0.0010228100000000, -0.0018619600000000, -0.0004949800000000 ]  - [  -0.0000551000000000,  0.0000061400000000, -0.0010010800000000 ]  - [  -0.0000593300000000,  0.0000022100000000, -0.0010026600000000 ]  - [  -0.0000568600000000, -0.0000081400000000, -0.0010022800000000 ]  - [  -0.0000519400000000, -0.0000022600000000, -0.0009693200000000 ]  - [  -0.0000634100000000,  0.0000042300000000, -0.0010084900000000 ]  - [  -0.0000671000000000, -0.0000022000000000, -0.0010354600000000 ]  - [  -0.0000563200000000,  0.0000040000000000, -0.0009969300000000 ]  - [   0.0000614900000000,  0.0000033400000000,  0.0010083100000000 ]  - [   0.0000348600000000, -0.0000007100000000,  0.0009392200000000 ]  - [   0.0000561400000000,  0.0000032900000000,  0.0009962900000000 ]  - [   0.0000848400000000, -0.0000007600000000,  0.0010664000000000 ]  - [   0.0000591000000000, -0.0000067100000000,  0.0010024600000000 ]  - [   0.0000598700000000,  0.0000052900000000,  0.0010022400000000 ]  - [   0.0000632800000000,  0.0000043100000000,  0.0010032900000000 ]  - [  -0.0012143000000000,  0.0027828600000000,  0.0022522100000000 ]  - [   0.0000560200000000,  0.0000040700000000,  0.0010020100000000 ]  - [   0.0013737600000000,  0.0027340400000000, -0.0002028600000000 ]  - [   0.0000576100000000, -0.0000084300000000,  0.0010024600000000 ]  - [   0.0000531200000000,  0.0002353100000000,  0.0010048300000000 ]  - [   0.0002093000000000, -0.0000681400000000, -0.0008358200000000 ]  - [   0.0000690100000000,  0.0000207700000000, -0.0010041700000000 ]  - [  -0.0000843400000000, -0.0000733500000000, -0.0011752000000000 ]  - [   0.0000482300000000,  0.0000219800000000, -0.0010009900000000 ]  - [   0.0000610000000000,  0.0000167300000000, -0.0010017300000000 ]  - [   0.0000585600000000, -0.0000332600000000, -0.0010026700000000 ]  - [  -0.0000116900000000, -0.0000036900000000, -0.0009133300000000 ]  - [   0.0000914100000000,  0.0000321300000000, -0.0010661000000000 ]  - [   0.0001344800000000, -0.0000058800000000, -0.0010914800000000 ]  - [   0.0000281000000000,  0.0000318400000000, -0.0009381500000000 ]  - [   0.0000601900000000,  0.0000352800000000, -0.0010037100000000 ]  - [   0.0000579000000000, -0.0000651300000000, -0.0010023300000000 ]  - [  -0.0000617600000000, -0.0000634700000000,  0.0010039300000000 ]  - [  -0.0000636200000000, -0.0000295600000000,  0.0010007900000000 ]  - [  -0.0000881800000000,  0.0000423400000000,  0.0009873100000000 ]  - [  -0.0001107300000000,  0.0000154600000000,  0.0010863300000000 ]  - [  -0.0000301600000000,  0.0000413000000000,  0.0010171100000000 ]  - [  -0.0000078800000000,  0.0000166100000000,  0.0009206900000000 ]  - [  -0.0000580200000000,  0.0000486700000000,  0.0010027900000000 ]  - [  -0.0000606900000000, -0.0002123100000000,  0.0010013300000000 ]  - [  -0.0000457100000000, -0.0000275500000000,  0.0010155500000000 ]  - [  -0.0001108200000000,  0.0001251700000000,  0.0008320600000000 ]  - [  -0.0000729900000000, -0.0000280100000000,  0.0009901000000000 ]  - [  -0.0000104700000000,  0.0001254000000000,  0.0011730500000000 ]  - [  -0.0001627500000000,  0.0384070000000000, -0.0012317900000000 ]  - [  -0.0001970000000000,  0.0000013000000000, -0.0001832900000000 ]  - [   0.0002837100000000, -0.0018710300000000, -0.0012105100000000 ]  - [  -0.0001974200000000, -0.0000006400000000, -0.0001897500000000 ]  - [  -0.0006627300000000, -0.0018619300000000,  0.0008197400000000 ]  - [  -0.0001975800000000, -0.0000005800000000, -0.0001825800000000 ]  - [  -0.0001977400000000, -0.0002084900000000, -0.0001826500000000 ]  - [  -0.0001977100000000, -0.0000035400000000, -0.0001873000000000 ]  - [  -0.0002174600000000,  0.0001183800000000, -0.0000993600000000 ]  - [  -0.0001947600000000,  0.0000018300000000, -0.0001816200000000 ]  - [  -0.0001768100000000,  0.0001174300000000, -0.0002649300000000 ]  - [  -0.0001997700000000,  0.0000016400000000, -0.0001870900000000 ]  - [   0.0001953200000000,  0.0000015600000000,  0.0001846000000000 ]  - [   0.0002169300000000, -0.0000263700000000,  0.0000386700000000 ]  - [   0.0001999700000000,  0.0000015500000000,  0.0001854100000000 ]  - [   0.0001766100000000, -0.0000339000000000,  0.0003242200000000 ]  - [   0.0001975600000000, -0.0000031500000000,  0.0001846700000000 ]  - [   0.0001969100000000, -0.0000371000000000,  0.0001842600000000 ]  - [   0.0001949600000000, -0.0000008500000000,  0.0001878600000000 ]  - [  -0.0010344600000000,  0.0028723800000000,  0.0015375800000000 ]  - [   0.0001997800000000, -0.0000008700000000,  0.0001801500000000 ]  - [   0.0013826500000000,  0.0028237200000000, -0.0012076300000000 ]  - [   0.0001976800000000,  0.0000017000000000,  0.0001860500000000 ]  - [   0.0001955900000000,  0.0002234400000000,  0.0001912000000000 ]  - [   0.0003355100000000, -0.0000055000000000, -0.0002159200000000 ]  - [   0.0002026600000000,  0.0000169900000000, -0.0001718200000000 ]  - [   0.0000582500000000, -0.0000048200000000, -0.0001512000000000 ]  - [   0.0001913800000000,  0.0000171400000000, -0.0001994300000000 ]  - [   0.0001980200000000,  0.0000075900000000, -0.0001837000000000 ]  - [   0.0001971600000000, -0.0000395000000000, -0.0001854200000000 ]  - [   0.0001089700000000, -0.0000083200000000, -0.0000810700000000 ]  - [   0.0000727700000000, -0.0000283400000000, -0.0002831300000000 ]  - [   0.0002893800000000, -0.0000110400000000, -0.0002871900000000 ]  - [   0.0003217800000000, -0.0000281200000000, -0.0000821100000000 ]  - [   0.0001966600000000,  0.0000050700000000, -0.0001839700000000 ]  - [   0.0001977500000000,  0.0000484800000000, -0.0001855100000000 ]  - [  -0.0001927000000000,  0.0001199000000000,  0.0001826800000000 ]  - [  -0.0001956900000000, -0.0000740800000000,  0.0001849700000000 ]  - [  -0.0001760700000000, -0.0000379400000000,  0.0001936100000000 ]  - [  -0.0000984800000000,  0.0000307400000000,  0.0001219900000000 ]  - [  -0.0002190800000000, -0.0000364700000000,  0.0001753100000000 ]  - [  -0.0002952600000000,  0.0000309200000000,  0.0002470300000000 ]  - [  -0.0001974800000000, -0.0000212800000000,  0.0001853900000000 ]  - [  -0.0001983800000000,  0.0000384400000000,  0.0001846300000000 ]  - [  -0.0002127000000000,  0.0000198400000000,  0.0001706900000000 ]  - [  -0.0002855900000000, -0.0000195400000000,  0.0002235300000000 ]  - [  -0.0001819800000000,  0.0000188100000000,  0.0001979500000000 ]  - [  -0.0001102900000000, -0.0000193900000000,  0.0001470900000000 ]  - [  -0.0042776800000000, -0.4318942900000000,  0.0053427900000000 ]  - [   0.0005922800000000,  0.0000042700000000,  0.0003296000000000 ]  - [   0.0092156400000000,  0.0290376200000000, -0.0085600400000000 ]  - [   0.0006047500000000, -0.0000019000000000,  0.0003342900000000 ]  - [  -0.0079892600000000,  0.0283407900000000,  0.0091776300000000 ]  - [   0.0005791900000000, -0.0000028200000000,  0.0003262100000000 ]  - [   0.0005930500000000,  0.0001948000000000,  0.0003248000000000 ]  - [   0.0005911500000000,  0.0000117400000000,  0.0003311200000000 ]  - [   0.0006167600000000, -0.0000963200000000,  0.0002184100000000 ]  - [   0.0005990100000000, -0.0000055500000000,  0.0003288500000000 ]  - [   0.0005697900000000, -0.0000938200000000,  0.0004345000000000 ]  - [   0.0005850000000000, -0.0000058500000000,  0.0003311000000000 ]  - [  -0.0005986000000000, -0.0000047600000000, -0.0003318500000000 ]  - [  -0.0005709200000000,  0.0000374100000000, -0.0000179400000000 ]  - [  -0.0005855400000000, -0.0000066600000000, -0.0003278500000000 ]  - [  -0.0006154400000000,  0.0000408300000000, -0.0006366400000000 ]  - [  -0.0005917800000000,  0.0000113600000000, -0.0003302000000000 ]  - [  -0.0005932900000000,  0.0000401800000000, -0.0003257300000000 ]  - [  -0.0005976300000000, -0.0000038200000000, -0.0003348200000000 ]  - [  -0.0374125000000000,  0.1401557000000000,  0.0376174800000000 ]  - [  -0.0005858300000000, -0.0000020500000000, -0.0003247100000000 ]  - [   0.0399178300000000,  0.1473561200000000, -0.0420723400000000 ]  - [  -0.0005922300000000,  0.0000062700000000, -0.0003299200000000 ]  - [  -0.0005686900000000,  0.0053066700000000, -0.0003558000000000 ]  - [  -0.0008541200000000,  0.0000575500000000,  0.0002169000000000 ]  - [  -0.0006222400000000, -0.0000569600000000,  0.0003147300000000 ]  - [  -0.0003355200000000,  0.0000588500000000,  0.0004431100000000 ]  - [  -0.0005613800000000, -0.0000585500000000,  0.0003439200000000 ]  - [  -0.0005958700000000, -0.0000422600000000,  0.0003280100000000 ]  - [  -0.0005924700000000,  0.0001208500000000,  0.0003292400000000 ]  - [  -0.0002792200000000,  0.0000566400000000,  0.0001109200000000 ]  - [  -0.0005750700000000, -0.0000577600000000,  0.0004703500000000 ]  - [  -0.0009127600000000,  0.0000590100000000,  0.0005504100000000 ]  - [  -0.0006093700000000, -0.0000577100000000,  0.0001864200000000 ]  - [  -0.0005939100000000, -0.0000415400000000,  0.0003291800000000 ]  - [  -0.0005924400000000,  0.0001210000000000,  0.0003300700000000 ]  - [   0.0005914800000000,  0.0001687700000000, -0.0003282200000000 ]  - [   0.0005905800000000,  0.0001697400000000, -0.0003297700000000 ]  - [   0.0005390000000000, -0.0000713400000000, -0.0003357100000000 ]  - [   0.0006050400000000, -0.0000709500000000, -0.0002713000000000 ]  - [   0.0006472200000000, -0.0000686500000000, -0.0003217900000000 ]  - [   0.0005799700000000, -0.0000700200000000, -0.0003878400000000 ]  - [   0.0005942500000000, -0.0000271800000000, -0.0003303500000000 ]  - [   0.0005945000000000, -0.0000275600000000, -0.0003306500000000 ]  - [   0.0006599200000000,  0.0000010700000000, -0.0004195800000000 ]  - [   0.0007693300000000,  0.0000027200000000, -0.0002434200000000 ]  - [   0.0005270300000000,  0.0000020600000000, -0.0002418100000000 ]  - [   0.0004184600000000,  0.0000008700000000, -0.0004174900000000 ]- atom:   97  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0322103900000000,  0.0000000000000000,  0.0448563600000000 ]  - [  -0.0000720100000000,  0.0000000000000000, -0.0010190400000000 ]  - [  -0.0000496500000000, -0.0001268000000000, -0.0010780700000000 ]  - [  -0.0000656300000000,  0.0000015000000000, -0.0010072700000000 ]  - [  -0.0000496500000000,  0.0001268000000000, -0.0010780700000000 ]  - [  -0.0000656300000000, -0.0000015000000000, -0.0010072700000000 ]  - [  -0.0000168600000000,  0.0000000000000000, -0.0009374300000000 ]  - [  -0.0000647300000000,  0.0000000000000000, -0.0009914300000000 ]  - [  -0.0000070200000000, -0.0000172200000000, -0.0009608100000000 ]  - [  -0.0000666200000000,  0.0000027100000000, -0.0009966300000000 ]  - [  -0.0000070200000000,  0.0000172200000000, -0.0009608100000000 ]  - [  -0.0000666200000000, -0.0000027100000000, -0.0009966300000000 ]  - [   0.0000506800000000,  0.0000001000000000,  0.0009938000000000 ]  - [   0.0000184600000000, -0.0000109500000000,  0.0009237700000000 ]  - [   0.0000506800000000, -0.0000001000000000,  0.0009938000000000 ]  - [   0.0000184600000000,  0.0000109500000000,  0.0009237700000000 ]  - [   0.0000530700000000,  0.0000000000000000,  0.0009970200000000 ]  - [   0.0000534000000000,  0.0000000000000000,  0.0010259400000000 ]  - [   0.0000520200000000,  0.0000046100000000,  0.0010080900000000 ]  - [   0.0012966000000000, -0.0033596500000000,  0.0002524000000000 ]  - [   0.0000520200000000, -0.0000046100000000,  0.0010080900000000 ]  - [   0.0012966000000000,  0.0033596500000000,  0.0002524000000000 ]  - [   0.0000516600000000,  0.0000000000000000,  0.0010021100000000 ]  - [  -0.0000984200000000,  0.0000000000000000,  0.0011468200000000 ]  - [  -0.0002467600000000, -0.0002473400000000, -0.0010659300000000 ]  - [  -0.0000110200000000,  0.0000940200000000, -0.0010166200000000 ]  - [  -0.0002467600000000,  0.0002473400000000, -0.0010659300000000 ]  - [  -0.0000110200000000, -0.0000940200000000, -0.0010166200000000 ]  - [   0.0000492200000000,  0.0000000000000000, -0.0011553600000000 ]  - [   0.0000618400000000,  0.0000000000000000, -0.0009969000000000 ]  - [   0.0000180400000000,  0.0000475500000000, -0.0009415400000000 ]  - [   0.0000469000000000, -0.0000074700000000, -0.0010906200000000 ]  - [   0.0000180400000000, -0.0000475500000000, -0.0009415400000000 ]  - [   0.0000469000000000,  0.0000074700000000, -0.0010906200000000 ]  - [   0.0000298100000000,  0.0000000000000000, -0.0008722400000000 ]  - [   0.0000357200000000,  0.0000000000000000, -0.0010777600000000 ]  - [  -0.0000233200000000,  0.0000000000000000,  0.0011687400000000 ]  - [   0.0007732600000000,  0.0000000000000000,  0.0012932000000000 ]  - [  -0.0000417300000000, -0.0000482400000000,  0.0010717000000000 ]  - [  -0.0000592500000000,  0.0001156700000000,  0.0008504000000000 ]  - [  -0.0000417300000000,  0.0000482400000000,  0.0010717000000000 ]  - [  -0.0000592500000000, -0.0001156700000000,  0.0008504000000000 ]  - [  -0.0000477900000000,  0.0000000000000000,  0.0009962100000000 ]  - [   0.0000057000000000,  0.0000000000000000,  0.0011776800000000 ]  - [  -0.0000576400000000, -0.0000142100000000,  0.0009947700000000 ]  - [  -0.0000708900000000,  0.0000913300000000,  0.0010987500000000 ]  - [  -0.0000576400000000,  0.0000142100000000,  0.0009947700000000 ]  - [  -0.0000708900000000, -0.0000913300000000,  0.0010987500000000 ]  - [   0.0411899700000000,  0.0000000000000000,  0.2659123500000000 ]  - [  -0.0001798600000000,  0.0000000000000000, -0.0001756800000000 ]  - [   0.0000054300000000,  0.0015200500000000, -0.0006330100000000 ]  - [  -0.0001841000000000,  0.0000013100000000, -0.0001806700000000 ]  - [   0.0000054300000000, -0.0015200500000000, -0.0006330100000000 ]  - [  -0.0001841000000000, -0.0000013100000000, -0.0001806700000000 ]  - [  -0.0002132600000000,  0.0000000000000000, -0.0004059700000000 ]  - [  -0.0002058900000000,  0.0000000000000000, -0.0001915700000000 ]  - [  -0.0001760200000000,  0.0000045200000000, -0.0003285200000000 ]  - [  -0.0002026000000000, -0.0000007200000000, -0.0001874200000000 ]  - [  -0.0001760200000000, -0.0000045200000000, -0.0003285200000000 ]  - [  -0.0002026000000000,  0.0000007200000000, -0.0001874200000000 ]  - [   0.0002132800000000, -0.0000005700000000,  0.0001812200000000 ]  - [   0.0001720700000000, -0.0007266200000000,  0.0006594700000000 ]  - [   0.0002132800000000,  0.0000005700000000,  0.0001812200000000 ]  - [   0.0001720700000000,  0.0007266200000000,  0.0006594700000000 ]  - [   0.0002060400000000,  0.0000000000000000,  0.0001838800000000 ]  - [   0.0001720300000000,  0.0000000000000000,  0.0002371700000000 ]  - [   0.0001884300000000,  0.0000006500000000,  0.0001831200000000 ]  - [  -0.0122220800000000,  0.0253856600000000,  0.0140445100000000 ]  - [   0.0001884300000000, -0.0000006500000000,  0.0001831200000000 ]  - [  -0.0122220800000000, -0.0253856600000000,  0.0140445100000000 ]  - [   0.0001925100000000,  0.0000000000000000,  0.0001850600000000 ]  - [  -0.0000361000000000,  0.0000000000000000, -0.0007593800000000 ]  - [   0.0001837800000000, -0.0000121600000000, -0.0001259200000000 ]  - [   0.0002686600000000,  0.0000127100000000, -0.0001377100000000 ]  - [   0.0001837800000000,  0.0000121600000000, -0.0001259200000000 ]  - [   0.0002686600000000, -0.0000127100000000, -0.0001377100000000 ]  - [   0.0001239500000000,  0.0000000000000000, -0.0001204000000000 ]  - [   0.0002416700000000,  0.0000000000000000, -0.0001233400000000 ]  - [   0.0002265600000000, -0.0000111500000000, -0.0001570400000000 ]  - [   0.0000821300000000, -0.0000060300000000, -0.0003061500000000 ]  - [   0.0002265600000000,  0.0000111500000000, -0.0001570400000000 ]  - [   0.0000821300000000,  0.0000060300000000, -0.0003061500000000 ]  - [   0.0003245600000000,  0.0000000000000000, -0.0002699800000000 ]  - [   0.0001204900000000,  0.0000000000000000, -0.0002883000000000 ]  - [   0.0000599000000000,  0.0000000000000000,  0.0004405400000000 ]  - [  -0.0004611500000000,  0.0000000000000000,  0.0002858200000000 ]  - [  -0.0001011800000000, -0.0000322500000000,  0.0002846200000000 ]  - [  -0.0003735400000000, -0.0000079600000000,  0.0002962500000000 ]  - [  -0.0001011800000000,  0.0000322500000000,  0.0002846200000000 ]  - [  -0.0003735400000000,  0.0000079600000000,  0.0002962500000000 ]  - [  -0.0002325100000000,  0.0000000000000000,  0.0001474900000000 ]  - [  -0.0001060900000000,  0.0000000000000000,  0.0001158300000000 ]  - [  -0.0002257700000000, -0.0000199400000000,  0.0001432200000000 ]  - [  -0.0001826900000000,  0.0000067600000000,  0.0001336500000000 ]  - [  -0.0002257700000000,  0.0000199400000000,  0.0001432200000000 ]  - [  -0.0001826900000000, -0.0000067600000000,  0.0001336500000000 ]  - [  -0.0200173800000000,  0.0000000000000000, -0.5080870700000000 ]  - [   0.0005924200000000,  0.0000000000000000,  0.0003259300000000 ]  - [   0.0080781900000000,  0.0088471700000000, -0.0061872600000000 ]  - [   0.0005769100000000, -0.0000027900000000,  0.0003203700000000 ]  - [   0.0080781900000000, -0.0088471700000000, -0.0061872600000000 ]  - [   0.0005769100000000,  0.0000027900000000,  0.0003203700000000 ]  - [   0.0004309700000000,  0.0000000000000000,  0.0007083000000000 ]  - [   0.0006054000000000,  0.0000000000000000,  0.0003384400000000 ]  - [   0.0003647100000000,  0.0001043600000000,  0.0001751800000000 ]  - [   0.0006014500000000,  0.0000016300000000,  0.0003379600000000 ]  - [   0.0003647100000000, -0.0001043600000000,  0.0001751800000000 ]  - [   0.0006014500000000, -0.0000016300000000,  0.0003379600000000 ]  - [  -0.0005982700000000, -0.0000007000000000, -0.0003297800000000 ]  - [  -0.0004107600000000,  0.0003031300000000, -0.0003314900000000 ]  - [  -0.0005982700000000,  0.0000007000000000, -0.0003297800000000 ]  - [  -0.0004107600000000, -0.0003031300000000, -0.0003314900000000 ]  - [  -0.0005922600000000,  0.0000000000000000, -0.0003344900000000 ]  - [  -0.0003767500000000,  0.0000000000000000, -0.0004626600000000 ]  - [  -0.0005731000000000, -0.0000067800000000, -0.0003242500000000 ]  - [  -0.0218214200000000,  0.0392028800000000,  0.0892457600000000 ]  - [  -0.0005731000000000,  0.0000067800000000, -0.0003242500000000 ]  - [  -0.0218214200000000, -0.0392028800000000,  0.0892457600000000 ]  - [  -0.0005732000000000,  0.0000000000000000, -0.0003169400000000 ]  - [  -0.0039034500000000,  0.0000000000000000,  0.0041776100000000 ]  - [  -0.0008300300000000,  0.0002169000000000,  0.0003750200000000 ]  - [  -0.0006756400000000, -0.0001405800000000,  0.0004554000000000 ]  - [  -0.0008300300000000, -0.0002169000000000,  0.0003750200000000 ]  - [  -0.0006756400000000,  0.0001405800000000,  0.0004554000000000 ]  - [  -0.0005712000000000,  0.0000000000000000,  0.0003766200000000 ]  - [  -0.0006260500000000,  0.0000000000000000,  0.0004578400000000 ]  - [  -0.0005512500000000,  0.0001141100000000,  0.0003755300000000 ]  - [  -0.0005591400000000,  0.0000129400000000,  0.0004571900000000 ]  - [  -0.0005512500000000, -0.0001141100000000,  0.0003755300000000 ]  - [  -0.0005591400000000, -0.0000129400000000,  0.0004571900000000 ]  - [  -0.0006533000000000,  0.0000000000000000,  0.0003820000000000 ]  - [  -0.0006869700000000,  0.0000000000000000,  0.0004609600000000 ]  - [   0.0005183700000000,  0.0000000000000000, -0.0005036500000000 ]  - [   0.0008642700000000,  0.0000000000000000, -0.0005090400000000 ]  - [   0.0007018600000000,  0.0000552500000000, -0.0004449000000000 ]  - [   0.0007073200000000, -0.0000072100000000, -0.0004467800000000 ]  - [   0.0007018600000000, -0.0000552500000000, -0.0004449000000000 ]  - [   0.0007073200000000,  0.0000072100000000, -0.0004467800000000 ]  - [   0.0005851500000000,  0.0000000000000000, -0.0003729600000000 ]  - [   0.0005376400000000,  0.0000000000000000, -0.0003701300000000 ]  - [   0.0006057600000000,  0.0000885300000000, -0.0003069700000000 ]  - [   0.0007391400000000, -0.0000877300000000, -0.0003058600000000 ]  - [   0.0006057600000000, -0.0000885300000000, -0.0003069700000000 ]  - [   0.0007391400000000,  0.0000877300000000, -0.0003058600000000 ]- atom:   97  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0304189000000000,  0.0000000000000000, -0.0456608000000000 ]  - [  -0.0000500900000000,  0.0000000000000000, -0.0009864500000000 ]  - [  -0.0000654400000000,  0.0001212100000000, -0.0009167200000000 ]  - [  -0.0000495100000000, -0.0000015800000000, -0.0009974900000000 ]  - [  -0.0000654400000000, -0.0001212100000000, -0.0009167200000000 ]  - [  -0.0000495100000000,  0.0000015800000000, -0.0009974900000000 ]  - [  -0.0001002400000000,  0.0000000000000000, -0.0010689000000000 ]  - [  -0.0000483700000000,  0.0000000000000000, -0.0010133000000000 ]  - [  -0.0001116000000000,  0.0000174200000000, -0.0010453700000000 ]  - [  -0.0000514100000000, -0.0000024600000000, -0.0010087600000000 ]  - [  -0.0001116000000000, -0.0000174200000000, -0.0010453700000000 ]  - [  -0.0000514100000000,  0.0000024600000000, -0.0010087600000000 ]  - [   0.0000661600000000, -0.0000000700000000,  0.0010096900000000 ]  - [   0.0001009000000000,  0.0000111500000000,  0.0010846800000000 ]  - [   0.0000661600000000,  0.0000000700000000,  0.0010096900000000 ]  - [   0.0001009000000000, -0.0000111500000000,  0.0010846800000000 ]  - [   0.0000638600000000,  0.0000000000000000,  0.0010068400000000 ]  - [   0.0000657300000000,  0.0000000000000000,  0.0009782800000000 ]  - [   0.0000666100000000, -0.0000045100000000,  0.0009979900000000 ]  - [  -0.0012107500000000,  0.0033929300000000,  0.0017094700000000 ]  - [   0.0000666100000000,  0.0000045100000000,  0.0009979900000000 ]  - [  -0.0012107500000000, -0.0033929300000000,  0.0017094700000000 ]  - [   0.0000629600000000,  0.0000000000000000,  0.0010034300000000 ]  - [   0.0002123900000000,  0.0000000000000000,  0.0008600000000000 ]  - [   0.0003668600000000,  0.0002600600000000, -0.0009461500000000 ]  - [   0.0001282200000000, -0.0000958200000000, -0.0009881100000000 ]  - [   0.0003668600000000, -0.0002600600000000, -0.0009461500000000 ]  - [   0.0001282200000000,  0.0000958200000000, -0.0009881100000000 ]  - [   0.0000703100000000,  0.0000000000000000, -0.0008472800000000 ]  - [   0.0000546700000000,  0.0000000000000000, -0.0010081400000000 ]  - [   0.0001049400000000, -0.0000502200000000, -0.0010713000000000 ]  - [   0.0000708000000000,  0.0000083900000000, -0.0009138700000000 ]  - [   0.0001049400000000,  0.0000502200000000, -0.0010713000000000 ]  - [   0.0000708000000000, -0.0000083900000000, -0.0009138700000000 ]  - [   0.0000893700000000,  0.0000000000000000, -0.0011362000000000 ]  - [   0.0000791900000000,  0.0000000000000000, -0.0009268100000000 ]  - [  -0.0001006800000000,  0.0000000000000000,  0.0008337000000000 ]  - [  -0.0009092200000000,  0.0000000000000000,  0.0007073500000000 ]  - [  -0.0000772800000000,  0.0000511100000000,  0.0009307100000000 ]  - [  -0.0000571600000000, -0.0001183200000000,  0.0011569000000000 ]  - [  -0.0000772800000000, -0.0000511100000000,  0.0009307100000000 ]  - [  -0.0000571600000000,  0.0001183200000000,  0.0011569000000000 ]  - [  -0.0000648700000000,  0.0000000000000000,  0.0010101500000000 ]  - [  -0.0001296200000000,  0.0000000000000000,  0.0008214000000000 ]  - [  -0.0000585500000000,  0.0000130500000000,  0.0010115700000000 ]  - [  -0.0000489900000000, -0.0000914600000000,  0.0009048200000000 ]  - [  -0.0000585500000000, -0.0000130500000000,  0.0010115700000000 ]  - [  -0.0000489900000000,  0.0000914600000000,  0.0009048200000000 ]  - [  -0.0383651900000000,  0.0000000000000000, -0.2487718500000000 ]  - [  -0.0002142300000000,  0.0000000000000000, -0.0001918700000000 ]  - [  -0.0003935300000000, -0.0015684300000000,  0.0002542600000000 ]  - [  -0.0002110300000000, -0.0000014300000000, -0.0001934900000000 ]  - [  -0.0003935300000000,  0.0015684300000000,  0.0002542600000000 ]  - [  -0.0002110300000000,  0.0000014300000000, -0.0001934900000000 ]  - [  -0.0001795600000000,  0.0000000000000000,  0.0000504100000000 ]  - [  -0.0001898500000000,  0.0000000000000000, -0.0001831800000000 ]  - [  -0.0002184400000000, -0.0000006300000000, -0.0000315300000000 ]  - [  -0.0001923700000000,  0.0000009100000000, -0.0001825800000000 ]  - [  -0.0002184400000000,  0.0000006300000000, -0.0000315300000000 ]  - [  -0.0001923700000000, -0.0000009100000000, -0.0001825800000000 ]  - [   0.0001825200000000,  0.0000006100000000,  0.0001901900000000 ]  - [   0.0002220000000000,  0.0007444900000000, -0.0002858500000000 ]  - [   0.0001825200000000, -0.0000006100000000,  0.0001901900000000 ]  - [   0.0002220000000000, -0.0007444900000000, -0.0002858500000000 ]  - [   0.0001897100000000,  0.0000000000000000,  0.0001873400000000 ]  - [   0.0002220500000000,  0.0000000000000000,  0.0001333700000000 ]  - [   0.0002061700000000, -0.0000006700000000,  0.0001852600000000 ]  - [   0.0126834300000000, -0.0256541400000000, -0.0140049600000000 ]  - [   0.0002061700000000,  0.0000006700000000,  0.0001852600000000 ]  - [   0.0126834300000000,  0.0256541400000000, -0.0140049600000000 ]  - [   0.0002025800000000,  0.0000000000000000,  0.0001873000000000 ]  - [   0.0004336700000000,  0.0000000000000000,  0.0011302700000000 ]  - [   0.0002070800000000,  0.0000121200000000, -0.0002423500000000 ]  - [   0.0001247000000000, -0.0000128500000000, -0.0002355000000000 ]  - [   0.0002070800000000, -0.0000121200000000, -0.0002423500000000 ]  - [   0.0001247000000000,  0.0000128500000000, -0.0002355000000000 ]  - [   0.0002721000000000,  0.0000000000000000, -0.0002483000000000 ]  - [   0.0001523700000000,  0.0000000000000000, -0.0002493700000000 ]  - [   0.0001686000000000,  0.0000116800000000, -0.0002099800000000 ]  - [   0.0003146700000000,  0.0000058400000000, -0.0000611500000000 ]  - [   0.0001686000000000, -0.0000116800000000, -0.0002099800000000 ]  - [   0.0003146700000000, -0.0000058400000000, -0.0000611500000000 ]  - [   0.0000689700000000,  0.0000000000000000, -0.0000995300000000 ]  - [   0.0002757600000000,  0.0000000000000000, -0.0000835400000000 ]  - [  -0.0004483100000000,  0.0000000000000000, -0.0000763000000000 ]  - [   0.0000722400000000,  0.0000000000000000,  0.0000834200000000 ]  - [  -0.0002939100000000,  0.0000319200000000,  0.0000843400000000 ]  - [  -0.0000189100000000,  0.0000080300000000,  0.0000735100000000 ]  - [  -0.0002939100000000, -0.0000319200000000,  0.0000843400000000 ]  - [  -0.0000189100000000, -0.0000080300000000,  0.0000735100000000 ]  - [  -0.0001626000000000,  0.0000000000000000,  0.0002273600000000 ]  - [  -0.0002940400000000,  0.0000000000000000,  0.0002559200000000 ]  - [  -0.0001687700000000,  0.0000196500000000,  0.0002285100000000 ]  - [  -0.0002142300000000, -0.0000069900000000,  0.0002389300000000 ]  - [  -0.0001687700000000, -0.0000196500000000,  0.0002285100000000 ]  - [  -0.0002142300000000,  0.0000069900000000,  0.0002389300000000 ]  - [   0.0144577700000000,  0.0000000000000000,  0.4900571300000000 ]  - [   0.0005928200000000,  0.0000000000000000,  0.0003328200000000 ]  - [  -0.0069702500000000, -0.0088903000000000,  0.0067860300000000 ]  - [   0.0006075000000000,  0.0000039800000000,  0.0003399300000000 ]  - [  -0.0069702500000000,  0.0088903000000000,  0.0067860300000000 ]  - [   0.0006075000000000, -0.0000039800000000,  0.0003399300000000 ]  - [   0.0007561500000000,  0.0000000000000000, -0.0000764100000000 ]  - [   0.0005773700000000,  0.0000000000000000,  0.0003223700000000 ]  - [   0.0008260200000000, -0.0001113500000000,  0.0004783900000000 ]  - [   0.0005829600000000, -0.0000012000000000,  0.0003207100000000 ]  - [   0.0008260200000000,  0.0001113500000000,  0.0004783900000000 ]  - [   0.0005829600000000,  0.0000012000000000,  0.0003207100000000 ]  - [  -0.0005867400000000,  0.0000023600000000, -0.0003287400000000 ]  - [  -0.0007784600000000, -0.0003160000000000, -0.0003312200000000 ]  - [  -0.0005867400000000, -0.0000023600000000, -0.0003287400000000 ]  - [  -0.0007784600000000,  0.0003160000000000, -0.0003312200000000 ]  - [  -0.0005923000000000,  0.0000000000000000, -0.0003248800000000 ]  - [  -0.0008132700000000,  0.0000000000000000, -0.0001865000000000 ]  - [  -0.0006109200000000,  0.0000043800000000, -0.0003352700000000 ]  - [   0.0214697800000000, -0.0404152300000000, -0.0894251600000000 ]  - [  -0.0006109200000000, -0.0000043800000000, -0.0003352700000000 ]  - [   0.0214697800000000,  0.0404152300000000, -0.0894251600000000 ]  - [  -0.0006116800000000,  0.0000000000000000, -0.0003424200000000 ]  - [   0.0027423200000000,  0.0000000000000000, -0.0049311200000000 ]  - [  -0.0003515200000000, -0.0002225300000000,  0.0002839800000000 ]  - [  -0.0005087600000000,  0.0001427100000000,  0.0001999100000000 ]  - [  -0.0003515200000000,  0.0002225300000000,  0.0002839800000000 ]  - [  -0.0005087600000000, -0.0001427100000000,  0.0001999100000000 ]  - [  -0.0006197000000000,  0.0000000000000000,  0.0002743500000000 ]  - [  -0.0005591000000000,  0.0000000000000000,  0.0001972600000000 ]  - [  -0.0006465400000000, -0.0001122100000000,  0.0002844500000000 ]  - [  -0.0006278900000000, -0.0000148900000000,  0.0002003700000000 ]  - [  -0.0006465400000000,  0.0001122100000000,  0.0002844500000000 ]  - [  -0.0006278900000000,  0.0000148900000000,  0.0002003700000000 ]  - [  -0.0005333900000000,  0.0000000000000000,  0.0002796100000000 ]  - [  -0.0004983500000000,  0.0000000000000000,  0.0001990100000000 ]  - [   0.0006722100000000,  0.0000000000000000, -0.0001414100000000 ]  - [   0.0003196600000000,  0.0000000000000000, -0.0001482700000000 ]  - [   0.0004817300000000, -0.0000609000000000, -0.0002066800000000 ]  - [   0.0004760200000000,  0.0000065200000000, -0.0002098000000000 ]  - [   0.0004817300000000,  0.0000609000000000, -0.0002066800000000 ]  - [   0.0004760200000000, -0.0000065200000000, -0.0002098000000000 ]  - [   0.0006038500000000,  0.0000000000000000, -0.0002910800000000 ]  - [   0.0006591600000000,  0.0000000000000000, -0.0002881300000000 ]  - [   0.0005830800000000, -0.0000858400000000, -0.0003560100000000 ]  - [   0.0004493700000000,  0.0000899300000000, -0.0003550400000000 ]  - [   0.0005830800000000,  0.0000858400000000, -0.0003560100000000 ]  - [   0.0004493700000000, -0.0000899300000000, -0.0003550400000000 ]