# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/b5b91519-0cb9-45c7-b578-519f281a9bb5/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 AgHg3SbO6 / R-3c (167) / materials id 12362](https://mdr.nims.go.jp/datasets/d750975f-5181-4c59-ad16-38b734a4b80f)

## Fulltext

phonopy:  version: 2.17.1  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05  configuration:    save_params: ".true."physical_unit:  atomic_mass: "AMU"  length: "angstrom"  force_constants: "eV/angstrom^2"space_group:  type: "R-3c"  number: 167  Hall_symbol: "-R 3 2\"c"primitive_matrix:- [  0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [  0.333333333333333,  0.333333333333333, -0.666666666666667 ]- [  0.333333333333333,  0.333333333333333,  0.333333333333333 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     4.813252166666671,     2.778932439999997,     4.160330066666662 ] # a  - [    -4.813252173333328,     2.778932439999997,     4.160330066666662 ] # b  - [     0.000000006666672,    -5.557864880000003,     4.160330066666662 ] # c  points:  - symbol: O  # 1    coordinates: [  0.790147010000000,  0.507058290000001,  0.489729320000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.507058290000000,  0.489729320000001,  0.790147010000000 ]    mass: 15.999400  - symbol: O  # 3    coordinates: [  0.489729320000000,  0.790147010000001,  0.507058290000000 ]    mass: 15.999400  - symbol: O  # 4    coordinates: [  0.010270680000000,  0.992941710000001,  0.709852990000000 ]    mass: 15.999400  - symbol: O  # 5    coordinates: [  0.992941710000000,  0.709852990000001,  0.010270680000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.709852990000000,  0.010270680000001,  0.992941710000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.209853000000000,  0.492941710000000,  0.510270690000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.492941710000000,  0.510270690000000,  0.209853000000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.510270690000000,  0.209853000000000,  0.492941710000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.989729320000000,  0.007058290000000,  0.290147000000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.290147000000000,  0.989729320000000,  0.007058290000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.007058290000000,  0.290147000000000,  0.989729320000000 ]    mass: 15.999400  - symbol: Ag # 13    coordinates: [  0.250000000000000,  0.250000010000003,  0.250000000000000 ]    mass: 107.868200  - symbol: Ag # 14    coordinates: [  0.750000000000000,  0.750000010000001,  0.750000000000000 ]    mass: 107.868200  - symbol: Sb # 15    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 121.760000  - symbol: Sb # 16    coordinates: [  0.500000000000000,  0.500000010000000,  0.500000000000000 ]    mass: 121.760000  - symbol: Hg # 17    coordinates: [  0.750000000000000,  0.412337440000000,  0.087662550000000 ]    mass: 200.590000  - symbol: Hg # 18    coordinates: [  0.412337440000000,  0.087662550000000,  0.750000000000000 ]    mass: 200.590000  - symbol: Hg # 19    coordinates: [  0.250000000000000,  0.587662560000001,  0.912337440000000 ]    mass: 200.590000  - symbol: Hg # 20    coordinates: [  0.587662560000000,  0.912337440000001,  0.250000000000000 ]    mass: 200.590000  - symbol: Hg # 21    coordinates: [  0.087662550000000,  0.750000000000000,  0.412337440000000 ]    mass: 200.590000  - symbol: Hg # 22    coordinates: [  0.912337440000000,  0.250000000000001,  0.587662560000000 ]    mass: 200.590000  reciprocal_lattice: # without 2pi  - [     0.103879867985392,     0.059975069783608,     0.080121848024526 ] # a*  - [    -0.103879867985392,     0.059975069534400,     0.080121848024526 ] # b*  - [    -0.000000000000000,    -0.119950139318009,     0.080121848024526 ] # c*unit_cell:  lattice:  - [     9.626504340000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -4.813252180000000,     8.336797320000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.480990200000001 ] # c  points:  - symbol: O  # 1    coordinates: [  0.527835470000000,  0.772582220000000,  0.262311540000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.244746750000000,  0.472164530000000,  0.262311540000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.227417780000000,  0.755253250000000,  0.262311540000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.772582220000000,  0.527835470000000,  0.237688460000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.755253250000000,  0.227417780000000,  0.237688460000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.472164530000000,  0.244746750000000,  0.237688460000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.138831200000000,  0.560751110000000,  0.071021800000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.421919910000000,  0.861168800000000,  0.071021800000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.439248890000000,  0.578080090000000,  0.071021800000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.894084450000000,  0.805497870000000,  0.095644870000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.194502130000000,  0.088586580000000,  0.095644870000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.911413420000000,  0.105915550000000,  0.095644870000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.194502130000000,  0.105915550000000,  0.595644870000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 14    coordinates: [  0.911413420000000,  0.805497870000000,  0.595644870000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 15    coordinates: [  0.894084450000000,  0.088586580000000,  0.595644870000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 16    coordinates: [  0.439248890000000,  0.861168800000000,  0.571021800000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 17    coordinates: [  0.421919910000000,  0.560751110000000,  0.571021800000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 18    coordinates: [  0.138831200000000,  0.578080090000000,  0.571021800000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 19    coordinates: [  0.805497870000000,  0.894084450000000,  0.404355130000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 20    coordinates: [  0.088586580000000,  0.194502130000000,  0.404355130000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 21    coordinates: [  0.105915550000000,  0.911413420000000,  0.404355130000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 22    coordinates: [  0.560751110000000,  0.138831200000000,  0.428978200000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 23    coordinates: [  0.861168800000000,  0.421919910000000,  0.428978200000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 24    coordinates: [  0.578080090000000,  0.439248890000000,  0.428978200000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 25    coordinates: [  0.861168800000000,  0.439248890000000,  0.928978200000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 26    coordinates: [  0.578080090000000,  0.138831200000000,  0.928978200000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 27    coordinates: [  0.560751110000000,  0.421919910000000,  0.928978200000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 28    coordinates: [  0.105915550000000,  0.194502130000000,  0.904355130000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 29    coordinates: [  0.088586580000000,  0.894084450000000,  0.904355130000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 30    coordinates: [  0.805497870000000,  0.911413420000000,  0.904355130000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 31    coordinates: [  0.472164530000000,  0.227417780000000,  0.737688460000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 32    coordinates: [  0.755253250000000,  0.527835470000000,  0.737688460000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 33    coordinates: [  0.772582220000000,  0.244746750000000,  0.737688460000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 34    coordinates: [  0.227417780000000,  0.472164530000000,  0.762311540000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 35    coordinates: [  0.527835470000000,  0.755253250000000,  0.762311540000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 36    coordinates: [  0.244746750000000,  0.772582220000000,  0.762311540000000 ]    mass: 15.999400    reduced_to: 12  - symbol: Ag # 37    coordinates: [  0.333333330000000,  0.666666670000000,  0.916666670000000 ]    mass: 107.868200    reduced_to: 37  - symbol: Ag # 38    coordinates: [  0.333333330000000,  0.666666670000000,  0.416666670000000 ]    mass: 107.868200    reduced_to: 38  - symbol: Ag # 39    coordinates: [  0.000000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 37  - symbol: Ag # 40    coordinates: [  0.000000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 38  - symbol: Ag # 41    coordinates: [  0.666666670000000,  0.333333330000000,  0.583333330000000 ]    mass: 107.868200    reduced_to: 37  - symbol: Ag # 42    coordinates: [  0.666666670000000,  0.333333330000000,  0.083333330000000 ]    mass: 107.868200    reduced_to: 38  - symbol: Sb # 43    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 43  - symbol: Sb # 44    coordinates: [  0.333333330000000,  0.666666670000000,  0.166666670000000 ]    mass: 121.760000    reduced_to: 44  - symbol: Sb # 45    coordinates: [  0.666666670000000,  0.333333330000000,  0.333333330000000 ]    mass: 121.760000    reduced_to: 43  - symbol: Sb # 46    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 121.760000    reduced_to: 44  - symbol: Sb # 47    coordinates: [  0.333333330000000,  0.666666670000000,  0.666666670000000 ]    mass: 121.760000    reduced_to: 43  - symbol: Sb # 48    coordinates: [  0.666666670000000,  0.333333330000000,  0.833333330000000 ]    mass: 121.760000    reduced_to: 44  - symbol: Hg # 49    coordinates: [  0.666666670000000,  0.995670780000000,  0.083333330000000 ]    mass: 200.590000    reduced_to: 49  - symbol: Hg # 50    coordinates: [  0.329004110000000,  0.333333330000000,  0.083333330000000 ]    mass: 200.590000    reduced_to: 50  - symbol: Hg # 51    coordinates: [  0.000000000000000,  0.337662560000000,  0.250000000000000 ]    mass: 200.590000    reduced_to: 51  - symbol: Hg # 52    coordinates: [  0.337662560000000,  0.000000000000000,  0.250000000000000 ]    mass: 200.590000    reduced_to: 52  - symbol: Hg # 53    coordinates: [  0.004329220000000,  0.670995890000000,  0.083333330000000 ]    mass: 200.590000    reduced_to: 53  - symbol: Hg # 54    coordinates: [  0.662337440000000,  0.662337440000000,  0.250000000000000 ]    mass: 200.590000    reduced_to: 54  - symbol: Hg # 55    coordinates: [  0.333333330000000,  0.329004110000000,  0.416666670000000 ]    mass: 200.590000    reduced_to: 49  - symbol: Hg # 56    coordinates: [  0.995670780000000,  0.666666670000000,  0.416666670000000 ]    mass: 200.590000    reduced_to: 50  - symbol: Hg # 57    coordinates: [  0.666666670000000,  0.670995890000000,  0.583333330000000 ]    mass: 200.590000    reduced_to: 51  - symbol: Hg # 58    coordinates: [  0.004329220000000,  0.333333330000000,  0.583333330000000 ]    mass: 200.590000    reduced_to: 52  - symbol: Hg # 59    coordinates: [  0.670995890000000,  0.004329220000000,  0.416666670000000 ]    mass: 200.590000    reduced_to: 53  - symbol: Hg # 60    coordinates: [  0.329004110000000,  0.995670780000000,  0.583333330000000 ]    mass: 200.590000    reduced_to: 54  - symbol: Hg # 61    coordinates: [  0.000000000000000,  0.662337440000000,  0.750000000000000 ]    mass: 200.590000    reduced_to: 49  - symbol: Hg # 62    coordinates: [  0.662337440000000,  0.000000000000000,  0.750000000000000 ]    mass: 200.590000    reduced_to: 50  - symbol: Hg # 63    coordinates: [  0.333333330000000,  0.004329220000000,  0.916666670000000 ]    mass: 200.590000    reduced_to: 51  - symbol: Hg # 64    coordinates: [  0.670995890000000,  0.666666670000000,  0.916666670000000 ]    mass: 200.590000    reduced_to: 52  - symbol: Hg # 65    coordinates: [  0.337662560000000,  0.337662560000000,  0.750000000000000 ]    mass: 200.590000    reduced_to: 53  - symbol: Hg # 66    coordinates: [  0.995670780000000,  0.329004110000000,  0.916666670000000 ]    mass: 200.590000    reduced_to: 54supercell:  lattice:  - [     9.626504340000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -4.813252180000000,     8.336797320000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.480990200000001 ] # c  points:  - symbol: O  # 1    coordinates: [  0.527835470000000,  0.772582220000000,  0.262311540000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.244746750000000,  0.472164530000000,  0.262311540000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.227417780000000,  0.755253250000000,  0.262311540000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.772582220000000,  0.527835470000000,  0.237688460000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.755253250000000,  0.227417780000000,  0.237688460000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.472164530000000,  0.244746750000000,  0.237688460000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.138831200000000,  0.560751110000000,  0.071021800000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.421919910000000,  0.861168800000000,  0.071021800000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.439248890000000,  0.578080090000000,  0.071021800000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.894084450000000,  0.805497870000000,  0.095644870000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.194502130000000,  0.088586580000000,  0.095644870000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.911413420000000,  0.105915550000000,  0.095644870000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.194502130000000,  0.105915550000000,  0.595644870000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 14    coordinates: [  0.911413420000000,  0.805497870000000,  0.595644870000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 15    coordinates: [  0.894084450000000,  0.088586580000000,  0.595644870000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 16    coordinates: [  0.439248890000000,  0.861168800000000,  0.571021800000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 17    coordinates: [  0.421919910000000,  0.560751110000000,  0.571021800000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 18    coordinates: [  0.138831200000000,  0.578080090000000,  0.571021800000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 19    coordinates: [  0.805497870000000,  0.894084450000000,  0.404355130000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 20    coordinates: [  0.088586580000000,  0.194502130000000,  0.404355130000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 21    coordinates: [  0.105915550000000,  0.911413420000000,  0.404355130000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 22    coordinates: [  0.560751110000000,  0.138831200000000,  0.428978200000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 23    coordinates: [  0.861168800000000,  0.421919910000000,  0.428978200000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 24    coordinates: [  0.578080090000000,  0.439248890000000,  0.428978200000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 25    coordinates: [  0.861168800000000,  0.439248890000000,  0.928978200000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 26    coordinates: [  0.578080090000000,  0.138831200000000,  0.928978200000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 27    coordinates: [  0.560751110000000,  0.421919910000000,  0.928978200000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 28    coordinates: [  0.105915550000000,  0.194502130000000,  0.904355130000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 29    coordinates: [  0.088586580000000,  0.894084450000000,  0.904355130000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 30    coordinates: [  0.805497870000000,  0.911413420000000,  0.904355130000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 31    coordinates: [  0.472164530000000,  0.227417780000000,  0.737688460000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 32    coordinates: [  0.755253250000000,  0.527835470000000,  0.737688460000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 33    coordinates: [  0.772582220000000,  0.244746750000000,  0.737688460000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 34    coordinates: [  0.227417780000000,  0.472164530000000,  0.762311540000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 35    coordinates: [  0.527835470000000,  0.755253250000000,  0.762311540000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 36    coordinates: [  0.244746750000000,  0.772582220000000,  0.762311540000000 ]    mass: 15.999400    reduced_to: 12  - symbol: Ag # 37    coordinates: [  0.333333330000000,  0.666666670000000,  0.916666670000000 ]    mass: 107.868200    reduced_to: 37  - symbol: Ag # 38    coordinates: [  0.333333330000000,  0.666666670000000,  0.416666670000000 ]    mass: 107.868200    reduced_to: 38  - symbol: Ag # 39    coordinates: [  0.000000000000000,  0.000000000000000,  0.250000000000000 ]    mass: 107.868200    reduced_to: 37  - symbol: Ag # 40    coordinates: [  0.000000000000000,  0.000000000000000,  0.750000000000000 ]    mass: 107.868200    reduced_to: 38  - symbol: Ag # 41    coordinates: [  0.666666670000000,  0.333333330000000,  0.583333330000000 ]    mass: 107.868200    reduced_to: 37  - symbol: Ag # 42    coordinates: [  0.666666670000000,  0.333333330000000,  0.083333330000000 ]    mass: 107.868200    reduced_to: 38  - symbol: Sb # 43    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 43  - symbol: Sb # 44    coordinates: [  0.333333330000000,  0.666666670000000,  0.166666670000000 ]    mass: 121.760000    reduced_to: 44  - symbol: Sb # 45    coordinates: [  0.666666670000000,  0.333333330000000,  0.333333330000000 ]    mass: 121.760000    reduced_to: 43  - symbol: Sb # 46    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 121.760000    reduced_to: 44  - symbol: Sb # 47    coordinates: [  0.333333330000000,  0.666666670000000,  0.666666670000000 ]    mass: 121.760000    reduced_to: 43  - symbol: Sb # 48    coordinates: [  0.666666670000000,  0.333333330000000,  0.833333330000000 ]    mass: 121.760000    reduced_to: 44  - symbol: Hg # 49    coordinates: [  0.666666670000000,  0.995670780000000,  0.083333330000000 ]    mass: 200.590000    reduced_to: 49  - symbol: Hg # 50    coordinates: [  0.329004110000000,  0.333333330000000,  0.083333330000000 ]    mass: 200.590000    reduced_to: 50  - symbol: Hg # 51    coordinates: [  0.000000000000000,  0.337662560000000,  0.250000000000000 ]    mass: 200.590000    reduced_to: 51  - symbol: Hg # 52    coordinates: [  0.337662560000000,  0.000000000000000,  0.250000000000000 ]    mass: 200.590000    reduced_to: 52  - symbol: Hg # 53    coordinates: [  0.004329220000000,  0.670995890000000,  0.083333330000000 ]    mass: 200.590000    reduced_to: 53  - symbol: Hg # 54    coordinates: [  0.662337440000000,  0.662337440000000,  0.250000000000000 ]    mass: 200.590000    reduced_to: 54  - symbol: Hg # 55    coordinates: [  0.333333330000000,  0.329004110000000,  0.416666670000000 ]    mass: 200.590000    reduced_to: 49  - symbol: Hg # 56    coordinates: [  0.995670780000000,  0.666666670000000,  0.416666670000000 ]    mass: 200.590000    reduced_to: 50  - symbol: Hg # 57    coordinates: [  0.666666670000000,  0.670995890000000,  0.583333330000000 ]    mass: 200.590000    reduced_to: 51  - symbol: Hg # 58    coordinates: [  0.004329220000000,  0.333333330000000,  0.583333330000000 ]    mass: 200.590000    reduced_to: 52  - symbol: Hg # 59    coordinates: [  0.670995890000000,  0.004329220000000,  0.416666670000000 ]    mass: 200.590000    reduced_to: 53  - symbol: Hg # 60    coordinates: [  0.329004110000000,  0.995670780000000,  0.583333330000000 ]    mass: 200.590000    reduced_to: 54  - symbol: Hg # 61    coordinates: [  0.000000000000000,  0.662337440000000,  0.750000000000000 ]    mass: 200.590000    reduced_to: 49  - symbol: Hg # 62    coordinates: [  0.662337440000000,  0.000000000000000,  0.750000000000000 ]    mass: 200.590000    reduced_to: 50  - symbol: Hg # 63    coordinates: [  0.333333330000000,  0.004329220000000,  0.916666670000000 ]    mass: 200.590000    reduced_to: 51  - symbol: Hg # 64    coordinates: [  0.670995890000000,  0.666666670000000,  0.916666670000000 ]    mass: 200.590000    reduced_to: 52  - symbol: Hg # 65    coordinates: [  0.337662560000000,  0.337662560000000,  0.750000000000000 ]    mass: 200.590000    reduced_to: 53  - symbol: Hg # 66    coordinates: [  0.995670780000000,  0.329004110000000,  0.916666670000000 ]    mass: 200.590000    reduced_to: 54displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.1802657900000000,  0.0164047100000000, -0.0394882500000000 ]  - [   0.0046188300000000,  0.0095739100000000,  0.0019816700000000 ]  - [   0.0189725600000000, -0.0011715600000000,  0.0016941500000000 ]  - [  -0.0042544900000000,  0.0021339900000000,  0.0020154200000000 ]  - [   0.0011434200000000, -0.0011298800000000, -0.0000680700000000 ]  - [  -0.0010820500000000, -0.0028477500000000, -0.0005909600000000 ]  - [   0.0024912300000000,  0.0019803300000000,  0.0035955000000000 ]  - [   0.0009215000000000, -0.0028639900000000,  0.0095316100000000 ]  - [  -0.0051889900000000, -0.0006097000000000, -0.0024794500000000 ]  - [   0.0031487300000000,  0.0013390400000000, -0.0025340600000000 ]  - [   0.0012528300000000,  0.0006505000000000,  0.0003380400000000 ]  - [  -0.0000292900000000,  0.0006573500000000, -0.0003841900000000 ]  - [   0.0005050100000000,  0.0000514800000000, -0.0000520800000000 ]  - [   0.0006741200000000, -0.0007225300000000,  0.0007770500000000 ]  - [  -0.0002319900000000,  0.0011871200000000,  0.0010557400000000 ]  - [   0.0000390500000000, -0.0003617200000000, -0.0012446000000000 ]  - [  -0.0003258500000000,  0.0002442000000000, -0.0006855800000000 ]  - [  -0.0002674400000000, -0.0000250800000000,  0.0002527200000000 ]  - [   0.0066413600000000,  0.0061092600000000,  0.0076947200000000 ]  - [   0.0006788500000000,  0.0021139800000000, -0.0006695500000000 ]  - [   0.0026640100000000, -0.0009603900000000, -0.0009779000000000 ]  - [  -0.0004443400000000, -0.0007606600000000, -0.0002401300000000 ]  - [   0.0013863700000000,  0.0005631300000000,  0.0006649000000000 ]  - [  -0.0000268700000000, -0.0025068100000000,  0.0023106100000000 ]  - [   0.0005066900000000,  0.0001077200000000, -0.0000192800000000 ]  - [  -0.0003442200000000, -0.0011193700000000,  0.0003625100000000 ]  - [  -0.0004223400000000,  0.0000920400000000, -0.0000013300000000 ]  - [   0.0000954700000000,  0.0003370700000000, -0.0000287300000000 ]  - [   0.0010990500000000,  0.0001257700000000, -0.0005112900000000 ]  - [  -0.0006151100000000, -0.0002409900000000, -0.0002702400000000 ]  - [  -0.0003579200000000, -0.0002800400000000,  0.0002235200000000 ]  - [   0.0001074900000000,  0.0001737100000000,  0.0002307600000000 ]  - [   0.0000667800000000, -0.0001995500000000,  0.0001667900000000 ]  - [   0.0001100000000000, -0.0002227700000000, -0.0000581500000000 ]  - [  -0.0000761600000000,  0.0002180100000000,  0.0000262700000000 ]  - [   0.0001036700000000,  0.0002129100000000,  0.0002517000000000 ]  - [   0.0003787300000000, -0.0007603000000000, -0.0005901400000000 ]  - [   0.0014974100000000,  0.0001670100000000, -0.0019349100000000 ]  - [  -0.0004688300000000, -0.0001427200000000,  0.0003147600000000 ]  - [  -0.0001015700000000, -0.0000341000000000, -0.0001708800000000 ]  - [  -0.0002590500000000,  0.0002117700000000, -0.0003886000000000 ]  - [  -0.0000927700000000,  0.0008382000000000,  0.0007416000000000 ]  - [  -0.0003531500000000, -0.0014537600000000,  0.0012709700000000 ]  - [   0.0527920200000000,  0.0229882900000000,  0.0314716900000000 ]  - [  -0.0000998200000000,  0.0059560000000000, -0.0022945900000000 ]  - [  -0.0044139300000000, -0.0019530300000000, -0.0018248500000000 ]  - [  -0.0001121800000000, -0.0006546000000000,  0.0003369400000000 ]  - [  -0.0000347500000000,  0.0006220600000000, -0.0004143200000000 ]  - [   0.0034529400000000,  0.0018836300000000,  0.0010550300000000 ]  - [   0.0000548000000000,  0.0000907900000000, -0.0003758000000000 ]  - [  -0.0036887600000000, -0.0018015200000000, -0.0001140300000000 ]  - [  -0.0012099900000000,  0.0062569800000000,  0.0003061600000000 ]  - [  -0.0027469000000000,  0.0001483400000000, -0.0006746400000000 ]  - [   0.1015535700000000, -0.0585019900000000, -0.0076195500000000 ]  - [   0.0016302400000000, -0.0003301800000000,  0.0006462800000000 ]  - [  -0.0024264600000000, -0.0007244700000000,  0.0010308300000000 ]  - [   0.0005222600000000,  0.0004487300000000, -0.0009046900000000 ]  - [   0.0000240700000000, -0.0005326000000000,  0.0001221000000000 ]  - [   0.0018932300000000, -0.0016793600000000, -0.0015926600000000 ]  - [  -0.0004317200000000,  0.0002459800000000, -0.0000878200000000 ]  - [  -0.0002826000000000, -0.0001286400000000, -0.0001253800000000 ]  - [   0.0001697800000000,  0.0001138600000000, -0.0001271000000000 ]  - [  -0.0008121400000000,  0.0007488600000000, -0.0010368800000000 ]  - [   0.0003839700000000,  0.0001095700000000,  0.0002930000000000 ]  - [   0.0000611100000000,  0.0000770900000000, -0.0000099100000000 ]  - [  -0.0001737100000000, -0.0004633700000000, -0.0001724600000000 ]- atom:    1  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.1782973600000000, -0.0116582300000000,  0.0420628100000000 ]  - [  -0.0046717100000000, -0.0102342600000000, -0.0019167100000000 ]  - [  -0.0199126300000000,  0.0015543900000000, -0.0016171800000000 ]  - [   0.0042256600000000, -0.0017068200000000, -0.0020559600000000 ]  - [  -0.0005856100000000,  0.0008865400000000,  0.0000221200000000 ]  - [   0.0006199500000000,  0.0024792600000000,  0.0005454600000000 ]  - [  -0.0030008500000000, -0.0021920000000000, -0.0036300200000000 ]  - [  -0.0008020600000000,  0.0034925300000000, -0.0096633200000000 ]  - [   0.0056841600000000,  0.0003075500000000,  0.0024883700000000 ]  - [  -0.0030410300000000, -0.0018929700000000,  0.0025403800000000 ]  - [  -0.0007928700000000, -0.0002741600000000, -0.0002978600000000 ]  - [  -0.0005236800000000, -0.0004362500000000,  0.0004290700000000 ]  - [   0.0000372700000000,  0.0001647600000000,  0.0001015700000000 ]  - [  -0.0007597000000000,  0.0001381700000000, -0.0007210300000000 ]  - [  -0.0002355900000000, -0.0008207500000000, -0.0010115000000000 ]  - [  -0.0001209400000000,  0.0009366700000000,  0.0011939900000000 ]  - [   0.0008576600000000, -0.0004511000000000,  0.0006295800000000 ]  - [  -0.0001809900000000, -0.0003353100000000, -0.0003036100000000 ]  - [  -0.0071752500000000, -0.0062724200000000, -0.0076641200000000 ]  - [  -0.0005979400000000, -0.0015292600000000,  0.0006235500000000 ]  - [  -0.0022119000000000,  0.0006058800000000,  0.0009432400000000 ]  - [   0.0005474400000000,  0.0001543200000000,  0.0002886700000000 ]  - [  -0.0009197700000000, -0.0002110200000000, -0.0006002400000000 ]  - [  -0.0005207100000000,  0.0027047100000000, -0.0022302500000000 ]  - [   0.0000384200000000,  0.0001065500000000,  0.0000626700000000 ]  - [   0.0002626700000000,  0.0005369500000000, -0.0003115500000000 ]  - [  -0.0000462000000000,  0.0002762600000000,  0.0000493900000000 ]  - [  -0.0001793100000000,  0.0002466600000000, -0.0000198700000000 ]  - [  -0.0005486400000000, -0.0003386100000000,  0.0004558800000000 ]  - [   0.0001467000000000, -0.0001222700000000,  0.0002171300000000 ]  - [  -0.0001852600000000,  0.0000636200000000, -0.0002686700000000 ]  - [  -0.0000241400000000,  0.0004048400000000, -0.0002770700000000 ]  - [   0.0003926100000000, -0.0001652800000000, -0.0002147700000000 ]  - [  -0.0000239600000000, -0.0003532700000000,  0.0001061000000000 ]  - [   0.0005335700000000,  0.0001415700000000,  0.0000225600000000 ]  - [  -0.0006459400000000,  0.0000025800000000, -0.0002064300000000 ]  - [  -0.0003817600000000,  0.0007705600000000,  0.0005849000000000 ]  - [  -0.0015641300000000, -0.0002154300000000,  0.0020387200000000 ]  - [   0.0004737600000000,  0.0001443600000000, -0.0003195300000000 ]  - [   0.0000989100000000,  0.0000261900000000,  0.0001727400000000 ]  - [   0.0002610700000000, -0.0002019400000000,  0.0003803200000000 ]  - [   0.0000906600000000, -0.0008310800000000, -0.0007201900000000 ]  - [   0.0003604000000000,  0.0014374200000000, -0.0012589000000000 ]  - [  -0.0547926800000000, -0.0246547700000000, -0.0337243100000000 ]  - [   0.0001036400000000, -0.0058829100000000,  0.0022290000000000 ]  - [   0.0044378800000000,  0.0019523600000000,  0.0018220200000000 ]  - [   0.0001108600000000,  0.0006521200000000, -0.0003301000000000 ]  - [   0.0000354000000000, -0.0006163600000000,  0.0004135200000000 ]  - [  -0.0033236600000000, -0.0020981300000000, -0.0010661600000000 ]  - [  -0.0003011600000000, -0.0001198000000000,  0.0003928700000000 ]  - [   0.0035551600000000,  0.0020115200000000,  0.0001147500000000 ]  - [   0.0014495000000000, -0.0062862700000000, -0.0003040700000000 ]  - [   0.0028681800000000,  0.0000830200000000,  0.0006931900000000 ]  - [  -0.0968962600000000,  0.0554962500000000,  0.0071731600000000 ]  - [  -0.0014948100000000,  0.0001097000000000, -0.0006525500000000 ]  - [   0.0021782300000000,  0.0007262000000000, -0.0010610400000000 ]  - [  -0.0006443300000000, -0.0002303500000000,  0.0009023400000000 ]  - [   0.0002285100000000,  0.0005322900000000, -0.0001241900000000 ]  - [  -0.0017450000000000,  0.0019119800000000,  0.0016057500000000 ]  - [   0.0002963900000000, -0.0004702500000000,  0.0000856200000000 ]  - [   0.0004079500000000, -0.0000898400000000,  0.0001246800000000 ]  - [  -0.0004226200000000, -0.0001101500000000,  0.0001281200000000 ]  - [   0.0006826300000000, -0.0005301400000000,  0.0010384200000000 ]  - [  -0.0001201000000000, -0.0001109800000000, -0.0002958000000000 ]  - [   0.0000705400000000,  0.0001455800000000,  0.0000103600000000 ]  - [   0.0000400600000000,  0.0002390100000000,  0.0001739500000000 ]- atom:    1  displacement:    [  -0.0050000000024297,  0.0086602540364416,  0.0000000000000000 ]  forces:  - [   0.0997048600000000, -0.0793533400000000, -0.0151750500000000 ]  - [   0.0077110000000000,  0.0050965000000000,  0.0001194600000000 ]  - [  -0.0126741200000000, -0.0016595100000000,  0.0000002200000000 ]  - [   0.0001900500000000, -0.0045394200000000, -0.0017323300000000 ]  - [   0.0007164400000000,  0.0020945100000000, -0.0002077600000000 ]  - [   0.0000665700000000,  0.0018129800000000,  0.0000242800000000 ]  - [   0.0001787300000000, -0.0012187100000000, -0.0001077000000000 ]  - [  -0.0050427700000000, -0.0003991700000000, -0.0103990400000000 ]  - [   0.0044331000000000,  0.0032545900000000,  0.0092100300000000 ]  - [  -0.0013013400000000, -0.0016379700000000,  0.0014263000000000 ]  - [   0.0000274200000000,  0.0005831500000000, -0.0001293300000000 ]  - [   0.0018639400000000,  0.0008903400000000, -0.0002382900000000 ]  - [   0.0001549500000000,  0.0003451200000000, -0.0001140100000000 ]  - [  -0.0001543200000000, -0.0004273900000000,  0.0001845500000000 ]  - [   0.0003969600000000,  0.0001953400000000,  0.0002755800000000 ]  - [  -0.0002023200000000,  0.0002887600000000,  0.0008481000000000 ]  - [   0.0002653600000000, -0.0003459700000000, -0.0003956600000000 ]  - [  -0.0002600500000000, -0.0003450000000000, -0.0001351600000000 ]  - [   0.0016440400000000, -0.0027469800000000, -0.0012712300000000 ]  - [  -0.0000182800000000,  0.0009562300000000, -0.0005663400000000 ]  - [  -0.0003421800000000,  0.0002234200000000,  0.0003779100000000 ]  - [  -0.0013195700000000,  0.0025182300000000,  0.0003613100000000 ]  - [  -0.0001007600000000,  0.0005038500000000, -0.0007612400000000 ]  - [  -0.0008770400000000,  0.0024611100000000, -0.0019742200000000 ]  - [   0.0001069600000000,  0.0003164800000000,  0.0002025300000000 ]  - [  -0.0003659700000000,  0.0008995900000000, -0.0006569300000000 ]  - [  -0.0008372200000000,  0.0006622200000000,  0.0006370400000000 ]  - [   0.0001610700000000,  0.0005678900000000, -0.0000462400000000 ]  - [  -0.0003388400000000, -0.0002826600000000,  0.0003992700000000 ]  - [   0.0002123000000000, -0.0005996400000000, -0.0001192700000000 ]  - [  -0.0003773200000000,  0.0001789300000000, -0.0001704600000000 ]  - [  -0.0001046700000000,  0.0002621300000000,  0.0000330100000000 ]  - [   0.0003097700000000, -0.0000597700000000, -0.0000360000000000 ]  - [   0.0000695600000000, -0.0001955200000000,  0.0002931200000000 ]  - [   0.0003875400000000, -0.0001252400000000,  0.0001449500000000 ]  - [  -0.0005509400000000, -0.0000587200000000, -0.0001238900000000 ]  - [  -0.0006550200000000,  0.0013333500000000, -0.0000535700000000 ]  - [  -0.0000607200000000,  0.0011770600000000, -0.0010291100000000 ]  - [  -0.0002883600000000, -0.0000726400000000,  0.0000542600000000 ]  - [  -0.0000563000000000, -0.0000078900000000, -0.0000496700000000 ]  - [   0.0002293300000000, -0.0004436400000000,  0.0001189400000000 ]  - [   0.0002688700000000, -0.0008851200000000, -0.0006293100000000 ]  - [  -0.0011415800000000,  0.0012699300000000, -0.0003436000000000 ]  - [  -0.0050822600000000,  0.0196599800000000,  0.0067944000000000 ]  - [   0.0003181100000000, -0.0062822200000000,  0.0028803300000000 ]  - [   0.0002024200000000, -0.0007950500000000,  0.0000257100000000 ]  - [  -0.0002248700000000,  0.0009560900000000, -0.0002104600000000 ]  - [   0.0003862400000000, -0.0010477800000000, -0.0000699400000000 ]  - [  -0.0014526600000000, -0.0018934900000000,  0.0018015600000000 ]  - [   0.0004131600000000, -0.0027076700000000,  0.0002584300000000 ]  - [  -0.0016519500000000, -0.0009060400000000, -0.0004083800000000 ]  - [   0.0016437200000000, -0.0037700800000000, -0.0000960800000000 ]  - [   0.0013383000000000,  0.0005175400000000,  0.0000930300000000 ]  - [  -0.0888471700000000,  0.0627126100000000,  0.0108338800000000 ]  - [  -0.0004360500000000, -0.0006378000000000,  0.0004478900000000 ]  - [   0.0009877300000000,  0.0008866000000000, -0.0002809100000000 ]  - [  -0.0000179300000000,  0.0004558100000000,  0.0002593000000000 ]  - [   0.0000912000000000, -0.0002214700000000, -0.0000050800000000 ]  - [  -0.0014363800000000,  0.0010442500000000, -0.0004496400000000 ]  - [   0.0003677900000000, -0.0002804800000000, -0.0001413700000000 ]  - [   0.0002669200000000,  0.0000187000000000, -0.0000449100000000 ]  - [  -0.0002384100000000,  0.0000671500000000,  0.0000005600000000 ]  - [   0.0008217500000000, -0.0003822800000000,  0.0009016100000000 ]  - [   0.0005515700000000,  0.0004910600000000, -0.0008435600000000 ]  - [   0.0001486400000000, -0.0000496700000000, -0.0000695500000000 ]  - [  -0.0001790000000000, -0.0003231700000000,  0.0000777300000000 ]- atom:    1  displacement:    [   0.0050000000024297, -0.0086602540364416,  0.0000000000000000 ]  forces:  - [  -0.1038682800000000,  0.0810668800000000,  0.0155184800000000 ]  - [  -0.0078222100000000, -0.0056589500000000, -0.0000618200000000 ]  - [   0.0121498700000000,  0.0019449600000000,  0.0000621700000000 ]  - [  -0.0000989500000000,  0.0050834400000000,  0.0016895900000000 ]  - [  -0.0001663000000000, -0.0023119900000000,  0.0001563500000000 ]  - [  -0.0005354900000000, -0.0021838500000000, -0.0000769600000000 ]  - [  -0.0006884800000000,  0.0010135900000000,  0.0000811500000000 ]  - [   0.0051044300000000,  0.0009367600000000,  0.0102805000000000 ]  - [  -0.0039913900000000, -0.0036000200000000, -0.0093104100000000 ]  - [   0.0014009500000000,  0.0010672900000000, -0.0013991800000000 ]  - [   0.0004368200000000, -0.0002114700000000,  0.0001753600000000 ]  - [  -0.0024013100000000, -0.0006702200000000,  0.0002774800000000 ]  - [   0.0003870200000000, -0.0001290300000000,  0.0001597600000000 ]  - [   0.0000715800000000, -0.0001556700000000, -0.0001321100000000 ]  - [  -0.0008555300000000,  0.0001719200000000, -0.0002269700000000 ]  - [   0.0001160200000000,  0.0002871300000000, -0.0008970500000000 ]  - [   0.0002751900000000,  0.0001350100000000,  0.0003439100000000 ]  - [  -0.0001980400000000, -0.0000201400000000,  0.0000926700000000 ]  - [  -0.0021698800000000,  0.0025305400000000,  0.0012322700000000 ]  - [   0.0001059000000000, -0.0003655300000000,  0.0005155200000000 ]  - [   0.0008096900000000, -0.0005857600000000, -0.0004231900000000 ]  - [   0.0013830800000000, -0.0030692000000000, -0.0003042300000000 ]  - [   0.0005690400000000, -0.0001401900000000,  0.0008239100000000 ]  - [   0.0003183800000000, -0.0022524600000000,  0.0020407300000000 ]  - [   0.0004392400000000, -0.0000998900000000, -0.0001563900000000 ]  - [   0.0002811700000000, -0.0014843900000000,  0.0007089000000000 ]  - [   0.0003714700000000, -0.0002962500000000, -0.0005883600000000 ]  - [  -0.0002438000000000,  0.0000156200000000, -0.0000018800000000 ]  - [   0.0008873400000000,  0.0000697800000000, -0.0004491800000000 ]  - [  -0.0006761400000000,  0.0002350100000000,  0.0000667500000000 ]  - [  -0.0001662000000000, -0.0003955000000000,  0.0001259300000000 ]  - [   0.0001876300000000,  0.0003160700000000, -0.0000792000000000 ]  - [   0.0001486000000000, -0.0003039800000000, -0.0000084800000000 ]  - [   0.0000164600000000, -0.0003814700000000, -0.0002456800000000 ]  - [   0.0000705200000000,  0.0004852500000000, -0.0000964300000000 ]  - [   0.0000073100000000,  0.0002745700000000,  0.0001712600000000 ]  - [   0.0006572900000000, -0.0013258600000000,  0.0000475500000000 ]  - [   0.0000693900000000, -0.0011646700000000,  0.0009966400000000 ]  - [   0.0002856800000000,  0.0000716500000000, -0.0000551700000000 ]  - [   0.0000519400000000,  0.0000008300000000,  0.0000501700000000 ]  - [  -0.0002264000000000,  0.0004488000000000, -0.0001294200000000 ]  - [  -0.0002700700000000,  0.0008879100000000,  0.0006459700000000 ]  - [   0.0011384400000000, -0.0012763100000000,  0.0003484600000000 ]  - [   0.0053320200000000, -0.0193940900000000, -0.0065396400000000 ]  - [  -0.0003060700000000,  0.0063248700000000, -0.0029158900000000 ]  - [  -0.0002018000000000,  0.0007877200000000, -0.0000277100000000 ]  - [   0.0002231300000000, -0.0009565500000000,  0.0002083400000000 ]  - [  -0.0003859200000000,  0.0010521600000000,  0.0000646800000000 ]  - [   0.0015982600000000,  0.0017034000000000, -0.0017972600000000 ]  - [  -0.0006621700000000,  0.0026913800000000, -0.0002555700000000 ]  - [   0.0014880100000000,  0.0011147400000000,  0.0004084200000000 ]  - [  -0.0013733100000000,  0.0037856000000000,  0.0001010300000000 ]  - [  -0.0012210800000000, -0.0002966200000000, -0.0000840300000000 ]  - [   0.0930591100000000, -0.0647118100000000, -0.0112880200000000 ]  - [   0.0005771400000000,  0.0004145800000000, -0.0004454100000000 ]  - [  -0.0012498700000000, -0.0008931400000000,  0.0002722300000000 ]  - [  -0.0001073300000000, -0.0002364500000000, -0.0002609900000000 ]  - [   0.0001604700000000,  0.0002205100000000,  0.0000024200000000 ]  - [   0.0015737500000000, -0.0008009900000000,  0.0004841400000000 ]  - [  -0.0004967600000000,  0.0000562600000000,  0.0001379200000000 ]  - [  -0.0001402800000000, -0.0002377400000000,  0.0000422900000000 ]  - [  -0.0000145500000000, -0.0000641800000000, -0.0000018400000000 ]  - [  -0.0009508600000000,  0.0006025600000000, -0.0009048900000000 ]  - [  -0.0002916200000000, -0.0004928300000000,  0.0008396300000000 ]  - [  -0.0000174900000000,  0.0002738900000000,  0.0000688700000000 ]  - [   0.0000452100000000,  0.0000965100000000, -0.0000780800000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0393136100000000, -0.0406754700000000, -0.0777873600000000 ]  - [  -0.0000400200000000, -0.0021614400000000, -0.0050603300000000 ]  - [  -0.0022698700000000,  0.0012504500000000, -0.0050587000000000 ]  - [   0.0017134100000000, -0.0011140100000000, -0.0055463500000000 ]  - [   0.0003195200000000, -0.0003453800000000, -0.0012117800000000 ]  - [  -0.0007452600000000, -0.0005362300000000, -0.0012617100000000 ]  - [   0.0033480100000000,  0.0018716700000000,  0.0008757800000000 ]  - [   0.0092176000000000, -0.0021437800000000,  0.0083778600000000 ]  - [   0.0009928200000000,  0.0112265100000000,  0.0083721400000000 ]  - [  -0.0002998800000000, -0.0001847100000000, -0.0003488700000000 ]  - [   0.0000685300000000,  0.0009969600000000, -0.0005376800000000 ]  - [  -0.0025377400000000, -0.0008933000000000, -0.0000019800000000 ]  - [   0.0002292800000000,  0.0002912600000000,  0.0004079000000000 ]  - [   0.0005725800000000, -0.0006154500000000,  0.0010807100000000 ]  - [   0.0001147500000000,  0.0007725600000000,  0.0016708000000000 ]  - [  -0.0009189100000000,  0.0011991000000000,  0.0028110100000000 ]  - [   0.0009347000000000, -0.0009180200000000,  0.0031856400000000 ]  - [  -0.0000589100000000,  0.0000490600000000, -0.0001751400000000 ]  - [   0.0074629500000000,  0.0028876100000000,  0.0044894800000000 ]  - [   0.0004436500000000,  0.0011729200000000, -0.0003734700000000 ]  - [   0.0014238100000000, -0.0002437900000000, -0.0003725100000000 ]  - [  -0.0013753400000000,  0.0018349100000000, -0.0003554900000000 ]  - [   0.0003965400000000,  0.0004548100000000, -0.0005427400000000 ]  - [   0.0001345700000000, -0.0004198400000000, -0.0000111500000000 ]  - [   0.0001966800000000, -0.0000934900000000,  0.0004113500000000 ]  - [   0.0002074100000000, -0.0016264400000000,  0.0016674700000000 ]  - [  -0.0011343700000000,  0.0005228500000000,  0.0010767200000000 ]  - [  -0.0000203900000000,  0.0003082600000000,  0.0007738200000000 ]  - [   0.0007540900000000,  0.0001016100000000,  0.0003218700000000 ]  - [  -0.0005666100000000, -0.0002675900000000,  0.0006432700000000 ]  - [  -0.0000251800000000, -0.0001375000000000,  0.0012652600000000 ]  - [   0.0000294400000000,  0.0000771500000000,  0.0009168000000000 ]  - [  -0.0000789000000000, -0.0000665300000000,  0.0009170300000000 ]  - [  -0.0002296100000000, -0.0003491000000000,  0.0013350200000000 ]  - [   0.0003524400000000,  0.0001128400000000,  0.0017151300000000 ]  - [  -0.0005030700000000,  0.0000680900000000,  0.0012255300000000 ]  - [  -0.0006548700000000, -0.0003252600000000, -0.0020094900000000 ]  - [  -0.0002901200000000, -0.0013001500000000,  0.0050701300000000 ]  - [  -0.0005080600000000, -0.0004398000000000,  0.0015515400000000 ]  - [  -0.0000657700000000,  0.0000273900000000, -0.0009878700000000 ]  - [  -0.0000787000000000, -0.0001628100000000, -0.0007307700000000 ]  - [   0.0000758600000000,  0.0004176400000000,  0.0007876200000000 ]  - [   0.0005634900000000, -0.0008071700000000, -0.0007233700000000 ]  - [   0.0302275000000000,  0.0222090500000000,  0.0473894000000000 ]  - [  -0.0005630100000000, -0.0005891300000000,  0.0026288100000000 ]  - [  -0.0030287500000000, -0.0015960100000000, -0.0024556000000000 ]  - [   0.0011590800000000,  0.0005323500000000, -0.0036813000000000 ]  - [   0.0005535800000000,  0.0006387100000000, -0.0025604500000000 ]  - [   0.0019716700000000,  0.0021288600000000,  0.0004321800000000 ]  - [   0.0006404300000000, -0.0034166800000000,  0.0022122700000000 ]  - [  -0.0001173900000000,  0.0000337400000000,  0.0003593800000000 ]  - [  -0.0003358500000000,  0.0000760100000000,  0.0017283100000000 ]  - [  -0.0007757100000000, -0.0000059100000000,  0.0006046500000000 ]  - [  -0.0076026000000000,  0.0082892300000000,  0.0135811300000000 ]  - [   0.0001425300000000,  0.0005482200000000,  0.0003751200000000 ]  - [   0.0000325400000000,  0.0002850200000000,  0.0001825800000000 ]  - [  -0.0009095300000000,  0.0002155700000000, -0.0011081400000000 ]  - [   0.0002515700000000, -0.0004401000000000, -0.0005473200000000 ]  - [   0.0002925000000000,  0.0007428800000000,  0.0000091200000000 ]  - [   0.0006659900000000, -0.0005501100000000, -0.0004850700000000 ]  - [   0.0000582600000000, -0.0000804600000000, -0.0006668400000000 ]  - [  -0.0001415500000000, -0.0000673900000000, -0.0011636000000000 ]  - [  -0.0010976600000000,  0.0007156300000000, -0.0017382400000000 ]  - [   0.0009672600000000,  0.0002120900000000, -0.0012485000000000 ]  - [   0.0000019700000000,  0.0002889400000000, -0.0009915900000000 ]  - [  -0.0002297900000000,  0.0000131000000000, -0.0007094100000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0422382000000000,  0.0418394000000000,  0.0785976800000000 ]  - [   0.0000214000000000,  0.0016275500000000,  0.0051236600000000 ]  - [   0.0018095200000000, -0.0008947200000000,  0.0051256100000000 ]  - [  -0.0017080600000000,  0.0016114900000000,  0.0054761500000000 ]  - [   0.0002280500000000,  0.0001276100000000,  0.0011633800000000 ]  - [   0.0002908200000000,  0.0001783700000000,  0.0012172400000000 ]  - [  -0.0038769700000000, -0.0020815600000000, -0.0009097500000000 ]  - [  -0.0093043500000000,  0.0028130900000000, -0.0085780700000000 ]  - [  -0.0004931200000000, -0.0117977700000000, -0.0085830500000000 ]  - [   0.0003656700000000, -0.0004112900000000,  0.0004153300000000 ]  - [   0.0003883400000000, -0.0006492500000000,  0.0005929300000000 ]  - [   0.0020026700000000,  0.0011216900000000,  0.0000531400000000 ]  - [   0.0003111200000000, -0.0000759200000000, -0.0003649700000000 ]  - [  -0.0006528000000000,  0.0000335700000000, -0.0010285000000000 ]  - [  -0.0005759700000000, -0.0004048900000000, -0.0016228400000000 ]  - [   0.0008263800000000, -0.0006092100000000, -0.0028482100000000 ]  - [  -0.0003814900000000,  0.0006949800000000, -0.0032041400000000 ]  - [  -0.0003881400000000, -0.0004034600000000,  0.0000978700000000 ]  - [  -0.0078962500000000, -0.0030898200000000, -0.0045125800000000 ]  - [  -0.0003582000000000, -0.0005834700000000,  0.0003202100000000 ]  - [  -0.0009525700000000, -0.0001220200000000,  0.0003218400000000 ]  - [   0.0014509900000000, -0.0023922300000000,  0.0004079300000000 ]  - [   0.0000650900000000, -0.0000886900000000,  0.0005875200000000 ]  - [  -0.0006782500000000,  0.0006455900000000,  0.0000438400000000 ]  - [   0.0003504200000000,  0.0003121200000000, -0.0003615600000000 ]  - [  -0.0002941300000000,  0.0010503400000000, -0.0016251000000000 ]  - [   0.0006806700000000, -0.0001598600000000, -0.0010326200000000 ]  - [  -0.0000646500000000,  0.0002713900000000, -0.0008219500000000 ]  - [  -0.0002135800000000, -0.0003197400000000, -0.0003643800000000 ]  - [   0.0001075400000000, -0.0000934800000000, -0.0006864000000000 ]  - [  -0.0005179300000000, -0.0000795300000000, -0.0013138900000000 ]  - [   0.0000563400000000,  0.0005031200000000, -0.0009655600000000 ]  - [   0.0005396200000000, -0.0002949500000000, -0.0009643600000000 ]  - [   0.0003091000000000, -0.0002281500000000, -0.0012900500000000 ]  - [   0.0001072900000000,  0.0002492700000000, -0.0016649500000000 ]  - [  -0.0000444400000000,  0.0001450100000000, -0.0011818200000000 ]  - [   0.0006637000000000,  0.0003317500000000,  0.0020156700000000 ]  - [   0.0001005500000000,  0.0011654200000000, -0.0048312700000000 ]  - [   0.0005073900000000,  0.0004432100000000, -0.0015496300000000 ]  - [   0.0000615300000000, -0.0000340900000000,  0.0009908800000000 ]  - [   0.0000818900000000,  0.0001669100000000,  0.0007312100000000 ]  - [  -0.0000787400000000, -0.0004288100000000, -0.0007904300000000 ]  - [  -0.0005634400000000,  0.0008209100000000,  0.0007155700000000 ]  - [  -0.0320925900000000, -0.0233606900000000, -0.0483952300000000 ]  - [   0.0005565700000000,  0.0005663100000000, -0.0026114700000000 ]  - [   0.0030250600000000,  0.0015868400000000,  0.0024561900000000 ]  - [  -0.0011399100000000, -0.0005345300000000,  0.0036902500000000 ]  - [  -0.0005589200000000, -0.0006397200000000,  0.0025640200000000 ]  - [  -0.0018387200000000, -0.0023121600000000, -0.0004925500000000 ]  - [  -0.0008975400000000,  0.0034405800000000, -0.0022385300000000 ]  - [  -0.0000254700000000,  0.0001765500000000, -0.0003615400000000 ]  - [   0.0005865100000000, -0.0000704800000000, -0.0017316700000000 ]  - [   0.0009121700000000,  0.0002264200000000, -0.0006079200000000 ]  - [   0.0069957000000000, -0.0081860200000000, -0.0133485500000000 ]  - [  -0.0000136500000000, -0.0007649500000000, -0.0003701600000000 ]  - [  -0.0002894100000000, -0.0002806000000000, -0.0001791300000000 ]  - [   0.0007741000000000,  0.0000021400000000,  0.0011089000000000 ]  - [   0.0000027700000000,  0.0004328000000000,  0.0005490500000000 ]  - [  -0.0001683700000000, -0.0004263700000000,  0.0000394500000000 ]  - [  -0.0007931600000000,  0.0003249000000000,  0.0004903700000000 ]  - [   0.0000679300000000, -0.0001383000000000,  0.0006684000000000 ]  - [  -0.0001136700000000,  0.0000691900000000,  0.0011650500000000 ]  - [   0.0009814000000000, -0.0004998400000000,  0.0017518400000000 ]  - [  -0.0007199100000000, -0.0002206300000000,  0.0012507000000000 ]  - [   0.0001292400000000, -0.0000622700000000,  0.0009911800000000 ]  - [   0.0000986500000000, -0.0002390700000000,  0.0007097600000000 ]- atom:   37  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0006563600000000, -0.0004322600000000, -0.0006339000000000 ]  - [   0.0014358100000000, -0.0001595100000000,  0.0000625800000000 ]  - [   0.0001188800000000,  0.0009241300000000,  0.0006382300000000 ]  - [  -0.0005423600000000,  0.0003572700000000,  0.0000792600000000 ]  - [   0.0000130100000000, -0.0002195500000000,  0.0000576600000000 ]  - [  -0.0004527200000000,  0.0000059500000000, -0.0002057200000000 ]  - [   0.0012491600000000,  0.0006789300000000, -0.0001765900000000 ]  - [   0.0010922400000000,  0.0003728600000000, -0.0009816200000000 ]  - [   0.0021529200000000, -0.0001761700000000,  0.0012054100000000 ]  - [  -0.0008577500000000,  0.0000732000000000, -0.0003043900000000 ]  - [   0.0002747100000000,  0.0009378100000000,  0.0004291600000000 ]  - [  -0.0003608200000000, -0.0001496700000000, -0.0000541200000000 ]  - [   0.0000130100000000,  0.0002195500000000, -0.0000576600000000 ]  - [  -0.0005423600000000, -0.0003572700000000, -0.0000792600000000 ]  - [  -0.0004527200000000, -0.0000059500000000,  0.0002057200000000 ]  - [   0.0014358100000000,  0.0001595100000000, -0.0000625800000000 ]  - [   0.0006563600000000,  0.0004322600000000,  0.0006339000000000 ]  - [   0.0001188800000000, -0.0009241300000000, -0.0006382300000000 ]  - [  -0.0003715000000000, -0.0002279500000000, -0.0000859200000000 ]  - [   0.0000662000000000,  0.0002483400000000,  0.0000354200000000 ]  - [   0.0001229000000000, -0.0001552500000000, -0.0000175000000000 ]  - [   0.0000662000000000, -0.0002483400000000, -0.0000354200000000 ]  - [   0.0001229000000000,  0.0001552500000000,  0.0000175000000000 ]  - [  -0.0003715000000000,  0.0002279500000000,  0.0000859200000000 ]  - [  -0.0002044500000000, -0.0004927400000000, -0.0004824700000000 ]  - [   0.0000390000000000, -0.0004633300000000, -0.0001070600000000 ]  - [  -0.0007860400000000,  0.0002595300000000,  0.0006612000000000 ]  - [   0.0000390000000000,  0.0004633300000000,  0.0001070600000000 ]  - [  -0.0002044500000000,  0.0004927400000000,  0.0004824700000000 ]  - [  -0.0007860400000000, -0.0002595300000000, -0.0006612000000000 ]  - [  -0.0003608200000000,  0.0001496700000000,  0.0000541200000000 ]  - [  -0.0008577500000000, -0.0000732000000000,  0.0003043900000000 ]  - [   0.0002747100000000, -0.0009378100000000, -0.0004291600000000 ]  - [   0.0010922400000000, -0.0003728600000000,  0.0009816200000000 ]  - [   0.0021529200000000,  0.0001761700000000, -0.0012054100000000 ]  - [   0.0012491600000000, -0.0006789300000000,  0.0001765900000000 ]  - [  -0.0049099800000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0002376100000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000066400000000, -0.0000264400000000,  0.0000000800000000 ]  - [   0.0003484800000000,  0.0000050900000000, -0.0000041300000000 ]  - [   0.0000066400000000,  0.0000264400000000, -0.0000000800000000 ]  - [   0.0003484800000000, -0.0000050900000000,  0.0000041300000000 ]  - [   0.0010340300000000, -0.0002942600000000, -0.0000030900000000 ]  - [  -0.0095964700000000, -0.0006280300000000, -0.0000292200000000 ]  - [   0.0003314800000000, -0.0001179700000000,  0.0000008200000000 ]  - [   0.0003314800000000,  0.0001179700000000, -0.0000008200000000 ]  - [  -0.0095964700000000,  0.0006280300000000,  0.0000292200000000 ]  - [   0.0010340300000000,  0.0002942600000000,  0.0000030900000000 ]  - [   0.0002900500000000,  0.0007595200000000,  0.0004401200000000 ]  - [   0.0002301600000000, -0.0032974800000000,  0.0004181700000000 ]  - [  -0.0001848900000000,  0.0005786400000000, -0.0007930200000000 ]  - [   0.0001074200000000, -0.0003629400000000,  0.0001794300000000 ]  - [   0.0039631400000000, -0.0009845400000000, -0.0008542100000000 ]  - [   0.0005821900000000,  0.0000290700000000,  0.0006134200000000 ]  - [  -0.0000024300000000, -0.0002370000000000, -0.0000730700000000 ]  - [   0.0000244900000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0005821900000000, -0.0000290700000000, -0.0006134200000000 ]  - [   0.0001074200000000,  0.0003629400000000, -0.0001794300000000 ]  - [  -0.0000024300000000,  0.0002370000000000,  0.0000730700000000 ]  - [  -0.0001848900000000, -0.0005786400000000,  0.0007930200000000 ]  - [   0.0039631400000000,  0.0009845400000000,  0.0008542100000000 ]  - [   0.0002301600000000,  0.0032974800000000, -0.0004181700000000 ]  - [  -0.0000598800000000, -0.0019242400000000, -0.0009454600000000 ]  - [   0.0037321600000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0002900500000000, -0.0007595200000000, -0.0004401200000000 ]  - [  -0.0000598800000000,  0.0019242400000000,  0.0009454600000000 ]- atom:   37  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0001042200000000,  0.0006434500000000,  0.0006850900000000 ]  - [  -0.0015231400000000, -0.0004215700000000, -0.0000273400000000 ]  - [  -0.0005827500000000, -0.0005717600000000, -0.0005905900000000 ]  - [   0.0004582300000000,  0.0002218200000000, -0.0001266300000000 ]  - [   0.0005334200000000,  0.0000060700000000, -0.0001032400000000 ]  - [  -0.0000075000000000, -0.0003655800000000,  0.0001591800000000 ]  - [  -0.0018134100000000, -0.0009391900000000,  0.0002108600000000 ]  - [  -0.0010006400000000,  0.0001959500000000,  0.0009579800000000 ]  - [  -0.0016709200000000, -0.0002341400000000, -0.0011240400000000 ]  - [   0.0009475100000000, -0.0006600900000000,  0.0003515500000000 ]  - [   0.0001878600000000, -0.0005747100000000, -0.0003803300000000 ]  - [  -0.0001777800000000,  0.0003670700000000,  0.0001009500000000 ]  - [   0.0005334200000000, -0.0000060700000000,  0.0001032400000000 ]  - [   0.0004582300000000, -0.0002218200000000,  0.0001266300000000 ]  - [  -0.0000075000000000,  0.0003655800000000, -0.0001591800000000 ]  - [  -0.0015231400000000,  0.0004215700000000,  0.0000273400000000 ]  - [  -0.0001042200000000, -0.0006434500000000, -0.0006850900000000 ]  - [  -0.0005827500000000,  0.0005717600000000,  0.0005905900000000 ]  - [  -0.0001724900000000,  0.0000117900000000,  0.0000401700000000 ]  - [   0.0000188600000000,  0.0003322800000000, -0.0000824500000000 ]  - [   0.0003377100000000, -0.0002074500000000, -0.0000292600000000 ]  - [   0.0000188600000000, -0.0003322800000000,  0.0000824500000000 ]  - [   0.0003377100000000,  0.0002074500000000,  0.0000292600000000 ]  - [  -0.0001724900000000, -0.0000117900000000, -0.0000401700000000 ]  - [   0.0007379000000000,  0.0007137800000000,  0.0005335000000000 ]  - [  -0.0001231900000000, -0.0001128000000000,  0.0001504100000000 ]  - [   0.0003439100000000,  0.0000827500000000, -0.0006108400000000 ]  - [  -0.0001231900000000,  0.0001128000000000, -0.0001504100000000 ]  - [   0.0007379000000000, -0.0007137800000000, -0.0005335000000000 ]  - [   0.0003439100000000, -0.0000827500000000,  0.0006108400000000 ]  - [  -0.0001777800000000, -0.0003670700000000, -0.0001009500000000 ]  - [   0.0009475100000000,  0.0006600900000000, -0.0003515500000000 ]  - [   0.0001878600000000,  0.0005747100000000,  0.0003803300000000 ]  - [  -0.0010006400000000, -0.0001959500000000, -0.0009579800000000 ]  - [  -0.0016709200000000,  0.0002341400000000,  0.0011240400000000 ]  - [  -0.0018134100000000,  0.0009391900000000, -0.0002108600000000 ]  - [   0.0048367700000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0002343600000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000035200000000,  0.0000276800000000,  0.0000001600000000 ]  - [  -0.0003535700000000,  0.0000052100000000, -0.0000035700000000 ]  - [  -0.0000035200000000, -0.0000276800000000, -0.0000001600000000 ]  - [  -0.0003535700000000, -0.0000052100000000,  0.0000035700000000 ]  - [  -0.0010419400000000,  0.0003051500000000, -0.0000028700000000 ]  - [   0.0096077100000000,  0.0006859700000000, -0.0000286600000000 ]  - [  -0.0003336500000000,  0.0001180800000000,  0.0000006200000000 ]  - [  -0.0003336500000000, -0.0001180800000000, -0.0000006200000000 ]  - [   0.0096077100000000, -0.0006859700000000,  0.0000286600000000 ]  - [  -0.0010419400000000, -0.0003051500000000,  0.0000028700000000 ]  - [  -0.0001844000000000, -0.0010005000000000, -0.0004418200000000 ]  - [  -0.0004882400000000,  0.0032859200000000, -0.0004187200000000 ]  - [   0.0000554800000000, -0.0003600000000000,  0.0007964800000000 ]  - [   0.0001479800000000,  0.0003602300000000, -0.0001873100000000 ]  - [  -0.0038592500000000,  0.0012160900000000,  0.0008650500000000 ]  - [  -0.0007150200000000, -0.0002495700000000, -0.0006103900000000 ]  - [   0.0001321900000000,  0.0000148800000000,  0.0000739400000000 ]  - [  -0.0002775900000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0007150200000000,  0.0002495700000000,  0.0006103900000000 ]  - [   0.0001479800000000, -0.0003602300000000,  0.0001873100000000 ]  - [   0.0001321900000000, -0.0000148800000000, -0.0000739400000000 ]  - [   0.0000554800000000,  0.0003600000000000, -0.0007964800000000 ]  - [  -0.0038592500000000, -0.0012160900000000, -0.0008650500000000 ]  - [  -0.0004882400000000, -0.0032859200000000,  0.0004187200000000 ]  - [  -0.0000646700000000,  0.0021729700000000,  0.0009625200000000 ]  - [  -0.0033704400000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0001844000000000,  0.0010005000000000,  0.0004418200000000 ]  - [  -0.0000646700000000, -0.0021729700000000, -0.0009625200000000 ]- atom:   37  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0003151600000000, -0.0002864100000000, -0.0019903300000000 ]  - [  -0.0000904600000000,  0.0004161400000000, -0.0019903300000000 ]  - [   0.0004056200000000, -0.0001297300000000, -0.0019903300000000 ]  - [  -0.0001652900000000,  0.0006622600000000, -0.0007550200000000 ]  - [   0.0006561800000000, -0.0001879900000000, -0.0007550200000000 ]  - [  -0.0004908900000000, -0.0004742700000000, -0.0007550200000000 ]  - [  -0.0024150500000000, -0.0025182300000000,  0.0050862900000000 ]  - [  -0.0009733300000000,  0.0033506100000000,  0.0050862900000000 ]  - [   0.0033883800000000, -0.0008323800000000,  0.0050862900000000 ]  - [   0.0006792900000000, -0.0007650200000000,  0.0008102900000000 ]  - [   0.0003228800000000,  0.0009707900000000,  0.0008102900000000 ]  - [  -0.0010021700000000, -0.0002057700000000,  0.0008102900000000 ]  - [  -0.0001112500000000,  0.0000305400000000, -0.0007075700000000 ]  - [   0.0000820700000000,  0.0000810700000000, -0.0007075700000000 ]  - [   0.0000291800000000, -0.0001116100000000, -0.0007075700000000 ]  - [   0.0000115200000000,  0.0010011200000000, -0.0020366000000000 ]  - [   0.0008612400000000, -0.0005105300000000, -0.0020366000000000 ]  - [  -0.0008727500000000, -0.0004905900000000, -0.0020366000000000 ]  - [  -0.0004454600000000, -0.0002655400000000, -0.0010147200000000 ]  - [  -0.0000072400000000,  0.0005185500000000, -0.0010147200000000 ]  - [   0.0004526900000000, -0.0002530100000000, -0.0010147200000000 ]  - [   0.0000907200000000, -0.0000661600000000, -0.0009634300000000 ]  - [   0.0000119300000000,  0.0001116500000000, -0.0009634300000000 ]  - [  -0.0001026600000000, -0.0000454900000000, -0.0009634300000000 ]  - [   0.0005950600000000,  0.0003557200000000,  0.0015749700000000 ]  - [   0.0000105300000000, -0.0006932000000000,  0.0015749700000000 ]  - [  -0.0006055900000000,  0.0003374800000000,  0.0015749700000000 ]  - [  -0.0000978800000000, -0.0001023700000000,  0.0015253000000000 ]  - [  -0.0000397200000000,  0.0001359500000000,  0.0015253000000000 ]  - [   0.0001376000000000, -0.0000335800000000,  0.0015253000000000 ]  - [   0.0004601100000000, -0.0004225800000000,  0.0007667800000000 ]  - [  -0.0005960200000000, -0.0001871800000000,  0.0007667800000000 ]  - [   0.0001359100000000,  0.0006097600000000,  0.0007667800000000 ]  - [   0.0010517700000000,  0.0024135400000000,  0.0048142000000000 ]  - [  -0.0026160700000000, -0.0002959100000000,  0.0048142000000000 ]  - [   0.0015643000000000, -0.0021176300000000,  0.0048142000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0753194200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0016392100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0006078400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0003556900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0006066300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0003380200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0031926500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0267946600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0022563000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0022610900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0263033800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0032003300000000 ]  - [   0.0032763900000000,  0.0035204400000000,  0.0002685400000000 ]  - [   0.0014105900000000, -0.0045976600000000,  0.0002685400000000 ]  - [  -0.0004324000000000, -0.0008653200000000,  0.0011361900000000 ]  - [  -0.0005331800000000,  0.0008071300000000,  0.0011361900000000 ]  - [  -0.0046869800000000,  0.0010772200000000,  0.0002685400000000 ]  - [   0.0009655900000000,  0.0000581900000000,  0.0011361900000000 ]  - [   0.0000777600000000, -0.0001033700000000,  0.0011191800000000 ]  - [  -0.0001284000000000, -0.0000156500000000,  0.0011191800000000 ]  - [  -0.0010920100000000,  0.0002834700000000,  0.0011355900000000 ]  - [   0.0007914900000000,  0.0008039700000000,  0.0011355900000000 ]  - [   0.0000506500000000,  0.0001190300000000,  0.0011191800000000 ]  - [   0.0003005100000000, -0.0010874400000000,  0.0011355900000000 ]  - [   0.0047861000000000,  0.0008668900000000,  0.0002459400000000 ]  - [  -0.0016423000000000, -0.0045783300000000,  0.0002459400000000 ]  - [  -0.0005687500000000, -0.0001809200000000, -0.0037032700000000 ]  - [   0.0001276900000000,  0.0005830100000000, -0.0037032700000000 ]  - [  -0.0031438000000000,  0.0037114400000000,  0.0002459400000000 ]  - [   0.0004410600000000, -0.0004020900000000, -0.0037032700000000 ]- atom:   43  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0000917800000000, -0.0014087900000000,  0.0005805400000000 ]  - [   0.0016361000000000, -0.0000089400000000, -0.0009648200000000 ]  - [  -0.0011219000000000,  0.0013125800000000,  0.0004417300000000 ]  - [  -0.0008237100000000,  0.0004352900000000, -0.0001587700000000 ]  - [  -0.0041640100000000,  0.0022076200000000,  0.0030015300000000 ]  - [  -0.0047150400000000, -0.0020911000000000, -0.0029172700000000 ]  - [  -0.0003637700000000,  0.0001957600000000, -0.0005852200000000 ]  - [  -0.0055732400000000, -0.0024369000000000, -0.0002595000000000 ]  - [  -0.0000013200000000, -0.0061501000000000,  0.0007477900000000 ]  - [   0.0195570000000000,  0.0039904000000000, -0.0042983500000000 ]  - [   0.0632593400000000,  0.0201153900000000,  0.0365681000000000 ]  - [   0.0525319400000000, -0.0241265900000000, -0.0300339500000000 ]  - [   0.0001612400000000, -0.0002152500000000,  0.0011730900000000 ]  - [   0.0008975200000000, -0.0002451600000000, -0.0000904800000000 ]  - [  -0.0001359300000000,  0.0009550000000000, -0.0010146200000000 ]  - [  -0.0011459200000000,  0.0002955500000000, -0.0002996800000000 ]  - [   0.0002372600000000, -0.0005322400000000, -0.0005803200000000 ]  - [  -0.0004282000000000,  0.0005322500000000,  0.0008099800000000 ]  - [  -0.0003850400000000, -0.0004313800000000,  0.0011257700000000 ]  - [   0.0009833200000000,  0.0003364400000000, -0.0001343400000000 ]  - [   0.0003258700000000,  0.0005904500000000, -0.0010593500000000 ]  - [  -0.0010601900000000, -0.0002899800000000, -0.0002505200000000 ]  - [   0.0000345900000000,  0.0008945000000000,  0.0008570700000000 ]  - [  -0.0003087300000000, -0.0003182100000000, -0.0005337900000000 ]  - [   0.0001608000000000,  0.0004073500000000, -0.0005348600000000 ]  - [  -0.0056525500000000, -0.0030367600000000, -0.0001809600000000 ]  - [  -0.0004499100000000, -0.0058317100000000,  0.0008114300000000 ]  - [   0.0194753000000000,  0.0040548300000000, -0.0040056800000000 ]  - [   0.0550559900000000, -0.0259799500000000, -0.0323007000000000 ]  - [   0.0604078900000000,  0.0182488400000000,  0.0340765800000000 ]  - [  -0.0006220500000000, -0.0016356700000000,  0.0005489800000000 ]  - [   0.0017092100000000,  0.0005567300000000, -0.0010087000000000 ]  - [  -0.0006750100000000,  0.0009549600000000,  0.0004039000000000 ]  - [  -0.0007472300000000, -0.0001367500000000, -0.0001128800000000 ]  - [  -0.0042606800000000, -0.0017428100000000, -0.0028678600000000 ]  - [  -0.0046868000000000,  0.0024364300000000,  0.0030539900000000 ]  - [   0.0010386100000000,  0.0003002000000000, -0.0000069800000000 ]  - [   0.0003308000000000,  0.0001139200000000,  0.0000021300000000 ]  - [  -0.0096031100000000, -0.0006600200000000, -0.0000268800000000 ]  - [  -0.0096054700000000, -0.0006531500000000,  0.0000266700000000 ]  - [   0.0003351200000000,  0.0001224100000000, -0.0000017100000000 ]  - [   0.0010318500000000,  0.0002993200000000,  0.0000064400000000 ]  - [  -0.3068108300000000,  0.0000001600000000, -0.0000059000000000 ]  - [  -0.0005818000000000,  0.0032001200000000,  0.0000198900000000 ]  - [   0.0041458700000000,  0.0000038100000000,  0.0000001400000000 ]  - [  -0.0021804800000000, -0.0005782500000000,  0.0000000300000000 ]  - [   0.0041520600000000, -0.0000047100000000, -0.0000004100000000 ]  - [  -0.0005781200000000,  0.0032438300000000, -0.0000203300000000 ]  - [   0.0300406700000000,  0.0029184700000000, -0.0070782600000000 ]  - [   0.0039512400000000,  0.0206520800000000, -0.0005379400000000 ]  - [  -0.0005489800000000, -0.0047681100000000, -0.0046719300000000 ]  - [   0.0044962500000000, -0.0019387600000000,  0.0042625800000000 ]  - [   0.0019164500000000, -0.0106911500000000,  0.0077505200000000 ]  - [  -0.0006468400000000,  0.0007060700000000,  0.0004065100000000 ]  - [  -0.0001899800000000,  0.0001756300000000,  0.0005367400000000 ]  - [  -0.0002553100000000, -0.0006904200000000, -0.0000004700000000 ]  - [  -0.0003188900000000,  0.0003944000000000,  0.0005355800000000 ]  - [   0.0000010600000000, -0.0006918600000000, -0.0000023200000000 ]  - [   0.0007199600000000,  0.0000209900000000, -0.0005336700000000 ]  - [   0.0005889900000000, -0.0002063100000000, -0.0005364600000000 ]  - [  -0.0004344300000000, -0.0049681400000000, -0.0046660400000000 ]  - [   0.0042614800000000, -0.0019407800000000,  0.0042507500000000 ]  - [   0.0302649600000000,  0.0031249400000000, -0.0072698900000000 ]  - [   0.0041650100000000,  0.0205651300000000, -0.0005957900000000 ]  - [  -0.0005385100000000,  0.0009217400000000,  0.0004181800000000 ]  - [   0.0018320100000000, -0.0108736800000000,  0.0077309600000000 ]- atom:   43  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0015383700000000,  0.0004428700000000, -0.0006865400000000 ]  - [  -0.0003856500000000, -0.0015537000000000, -0.0006865400000000 ]  - [  -0.0011527200000000,  0.0011108400000000, -0.0006865400000000 ]  - [  -0.0000661300000000,  0.0023790300000000, -0.0024709400000000 ]  - [   0.0020933700000000, -0.0011322500000000, -0.0024709400000000 ]  - [  -0.0020272400000000, -0.0012467800000000, -0.0024709400000000 ]  - [  -0.0025172300000000,  0.0019246700000000,  0.0025982800000000 ]  - [   0.0029254300000000,  0.0012176500000000,  0.0025982800000000 ]  - [  -0.0004082000000000, -0.0031423200000000,  0.0025982800000000 ]  - [  -0.0066961900000000, -0.0428832300000000,  0.0484552000000000 ]  - [   0.0404860600000000,  0.0156425400000000,  0.0484552000000000 ]  - [  -0.0337898700000000,  0.0272406800000000,  0.0484552000000000 ]  - [   0.0005958800000000,  0.0000552000000000, -0.0036553200000000 ]  - [  -0.0002501400000000, -0.0005436500000000, -0.0036553200000000 ]  - [  -0.0003457500000000,  0.0004884500000000, -0.0036553200000000 ]  - [   0.0000237000000000,  0.0008113400000000, -0.0025912600000000 ]  - [   0.0006907900000000, -0.0004262000000000, -0.0025912600000000 ]  - [  -0.0007144900000000, -0.0003851400000000, -0.0025912600000000 ]  - [   0.0000717900000000, -0.0001539200000000, -0.0037187800000000 ]  - [  -0.0001691900000000,  0.0000147900000000, -0.0037187800000000 ]  - [   0.0000974000000000,  0.0001391300000000, -0.0037187800000000 ]  - [   0.0001101800000000,  0.0002179600000000, -0.0025313800000000 ]  - [  -0.0002438500000000, -0.0000135600000000, -0.0025313800000000 ]  - [   0.0001336600000000, -0.0002044000000000, -0.0025313800000000 ]  - [  -0.0020050500000000,  0.0021567100000000,  0.0026441000000000 ]  - [   0.0028703000000000,  0.0006580700000000,  0.0026441000000000 ]  - [  -0.0008652400000000, -0.0028147800000000,  0.0026441000000000 ]  - [  -0.0066411800000000, -0.0400921900000000,  0.0473336600000000 ]  - [  -0.0314002600000000,  0.0257975300000000,  0.0473336600000000 ]  - [   0.0380414400000000,  0.0142946600000000,  0.0473336600000000 ]  - [   0.0009923100000000,  0.0002186200000000, -0.0007544600000000 ]  - [  -0.0003068200000000, -0.0009686800000000, -0.0007544600000000 ]  - [  -0.0006854900000000,  0.0007500500000000, -0.0007544600000000 ]  - [   0.0000119700000000,  0.0018029600000000, -0.0024400800000000 ]  - [  -0.0015674000000000, -0.0008911100000000, -0.0024400800000000 ]  - [   0.0015554300000000, -0.0009118500000000, -0.0024400800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0031884400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0022548900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0267075100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0263740000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0022590800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0031969300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.3179182200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0009824300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0057046300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0096862300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0057354000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0009379400000000 ]  - [  -0.0138425800000000, -0.0054723300000000, -0.0057601400000000 ]  - [   0.0021821100000000,  0.0147241900000000, -0.0057601400000000 ]  - [  -0.0008698400000000,  0.0034854200000000,  0.0037464400000000 ]  - [   0.0034533800000000, -0.0009894000000000,  0.0037464400000000 ]  - [   0.0116604700000000, -0.0092518600000000, -0.0057601400000000 ]  - [  -0.0025835400000000, -0.0024960100000000,  0.0037464400000000 ]  - [   0.0002760200000000,  0.0002664400000000,  0.0021412800000000 ]  - [   0.0000927300000000, -0.0003722600000000,  0.0021412800000000 ]  - [   0.0001325900000000,  0.0004708400000000,  0.0021462200000000 ]  - [   0.0003414700000000, -0.0003502500000000,  0.0021462200000000 ]  - [  -0.0003687500000000,  0.0001058200000000,  0.0021412800000000 ]  - [  -0.0004740500000000, -0.0001206000000000,  0.0021462200000000 ]  - [  -0.0007306100000000,  0.0032547400000000,  0.0037681100000000 ]  - [   0.0031839900000000, -0.0009946500000000,  0.0037681100000000 ]  - [  -0.0139543800000000, -0.0052817500000000, -0.0057236500000000 ]  - [   0.0024030600000000,  0.0147257200000000, -0.0057236500000000 ]  - [  -0.0024533800000000, -0.0022600900000000,  0.0037681100000000 ]  - [   0.0115513200000000, -0.0094439700000000, -0.0057236500000000 ]- atom:   49  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0036508200000000,  0.0002876800000000,  0.0019353800000000 ]  - [  -0.0003300600000000, -0.0017779800000000,  0.0003451100000000 ]  - [  -0.0021234700000000, -0.0011107700000000,  0.0026108300000000 ]  - [   0.0001684500000000,  0.0010179200000000, -0.0001895600000000 ]  - [   0.0020923900000000,  0.0005796100000000, -0.0002595400000000 ]  - [  -0.0003503200000000,  0.0005697500000000,  0.0005836800000000 ]  - [  -0.0039008000000000, -0.0040234600000000, -0.0000729100000000 ]  - [   0.0987986800000000,  0.0547922900000000,  0.0105414600000000 ]  - [   0.0024804600000000, -0.0043807700000000,  0.0001386800000000 ]  - [  -0.0039968100000000,  0.0044342300000000, -0.0002690100000000 ]  - [  -0.0048751600000000, -0.0008648200000000, -0.0000576100000000 ]  - [   0.1014715000000000,  0.0493413300000000,  0.0075414400000000 ]  - [  -0.0000746600000000,  0.0001424600000000,  0.0000179300000000 ]  - [  -0.0002241800000000, -0.0001534400000000,  0.0002066500000000 ]  - [   0.0000178500000000,  0.0000412500000000,  0.0000885400000000 ]  - [   0.0000688300000000,  0.0002963300000000,  0.0000307600000000 ]  - [   0.0002677200000000, -0.0001988800000000,  0.0000436100000000 ]  - [  -0.0002059900000000, -0.0004143900000000,  0.0000000800000000 ]  - [   0.0003144400000000,  0.0002812200000000, -0.0008662100000000 ]  - [  -0.0003185900000000, -0.0000712500000000, -0.0007664100000000 ]  - [  -0.0004909000000000, -0.0000055500000000,  0.0002914200000000 ]  - [   0.0002569800000000, -0.0002012400000000,  0.0002581600000000 ]  - [   0.0004275400000000,  0.0002789400000000,  0.0000326500000000 ]  - [  -0.0003799900000000,  0.0002975900000000,  0.0001872500000000 ]  - [   0.0018352300000000,  0.0004253100000000,  0.0001021700000000 ]  - [   0.0014828900000000,  0.0016923900000000,  0.0003597300000000 ]  - [  -0.0006793600000000,  0.0019782900000000, -0.0003001700000000 ]  - [  -0.0026515400000000, -0.0012100700000000,  0.0033239900000000 ]  - [  -0.0025405400000000,  0.0000361800000000,  0.0008253000000000 ]  - [   0.0008985800000000,  0.0031282600000000,  0.0028129100000000 ]  - [  -0.0010212100000000,  0.0004834100000000, -0.0010627300000000 ]  - [  -0.0000836500000000,  0.0006508400000000,  0.0001696100000000 ]  - [   0.0010895700000000,  0.0000566400000000, -0.0006322400000000 ]  - [  -0.0001323600000000, -0.0008617200000000,  0.0004639700000000 ]  - [   0.0011381600000000,  0.0003337000000000, -0.0003037700000000 ]  - [  -0.0006368700000000, -0.0001807700000000, -0.0007062400000000 ]  - [   0.0002359900000000,  0.0032172500000000,  0.0032053300000000 ]  - [  -0.0001198400000000,  0.0003016400000000, -0.0003677500000000 ]  - [   0.0039271400000000, -0.0012372600000000,  0.0047512000000000 ]  - [   0.0006456700000000,  0.0000215400000000, -0.0010293800000000 ]  - [  -0.0000659400000000, -0.0001230500000000,  0.0000123200000000 ]  - [  -0.0000019600000000, -0.0020394600000000, -0.0004992600000000 ]  - [   0.0303701900000000, -0.0055173400000000, -0.0139729100000000 ]  - [   0.0018641800000000,  0.0192919900000000, -0.0115844400000000 ]  - [  -0.0004848400000000, -0.0008723300000000, -0.0008027800000000 ]  - [   0.0006548500000000, -0.0002389300000000,  0.0004221800000000 ]  - [  -0.0002520300000000,  0.0006169700000000,  0.0002012200000000 ]  - [  -0.0005952600000000, -0.0048037200000000,  0.0025110800000000 ]  - [  -0.2383925600000000, -0.1181869600000000, -0.0117572100000000 ]  - [   0.0014787000000000,  0.0026937400000000,  0.0001314400000000 ]  - [  -0.0010356700000000,  0.0046424800000000,  0.0040858600000000 ]  - [   0.0040342800000000, -0.0012533500000000, -0.0030385900000000 ]  - [   0.0033208100000000, -0.0016421500000000, -0.0000097700000000 ]  - [  -0.0010681500000000, -0.0016945500000000,  0.0013195600000000 ]  - [   0.0005631400000000,  0.0000783300000000, -0.0001768600000000 ]  - [   0.0002345000000000,  0.0000462000000000, -0.0002919900000000 ]  - [  -0.0001734500000000, -0.0000444500000000,  0.0000433500000000 ]  - [  -0.0000319300000000,  0.0002128200000000,  0.0000488800000000 ]  - [  -0.0008863500000000,  0.0000838100000000, -0.0000843000000000 ]  - [   0.0001443500000000, -0.0001142100000000,  0.0000553000000000 ]  - [   0.0005616700000000, -0.0000775200000000, -0.0001850100000000 ]  - [  -0.0015366800000000,  0.0002963500000000, -0.0001068600000000 ]  - [   0.0063704800000000,  0.0003447300000000,  0.0036284000000000 ]  - [  -0.0010306200000000, -0.0041953900000000, -0.0002134600000000 ]  - [   0.0008828700000000,  0.0003277300000000, -0.0005349900000000 ]  - [  -0.0010571900000000,  0.0041745900000000, -0.0031854700000000 ]- atom:   49  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0031260600000000, -0.0001010400000000, -0.0018754100000000 ]  - [   0.0002445400000000,  0.0011990400000000, -0.0002988800000000 ]  - [   0.0016543900000000,  0.0014865200000000, -0.0025594100000000 ]  - [  -0.0002529000000000, -0.0004345500000000,  0.0001396700000000 ]  - [  -0.0015455900000000, -0.0007960200000000,  0.0002010300000000 ]  - [  -0.0001140000000000, -0.0009314900000000, -0.0006313600000000 ]  - [   0.0033423300000000,  0.0037841000000000,  0.0000181400000000 ]  - [  -0.1025032800000000, -0.0575428100000000, -0.0110353700000000 ]  - [  -0.0020196700000000,  0.0040301600000000, -0.0001955900000000 ]  - [   0.0040545000000000, -0.0049961500000000,  0.0003185800000000 ]  - [   0.0053689600000000,  0.0012153200000000,  0.0001114200000000 ]  - [  -0.0969765200000000, -0.0461479500000000, -0.0070691700000000 ]  - [   0.0006173900000000,  0.0000723900000000,  0.0000288200000000 ]  - [   0.0001403700000000, -0.0004273500000000, -0.0001602800000000 ]  - [  -0.0004764900000000,  0.0003234200000000, -0.0000430100000000 ]  - [  -0.0001564200000000,  0.0002842800000000, -0.0000742600000000 ]  - [   0.0002779600000000, -0.0000135300000000, -0.0000846100000000 ]  - [  -0.0002522700000000,  0.0000500100000000, -0.0000452000000000 ]  - [  -0.0008527300000000, -0.0004964800000000,  0.0008169300000000 ]  - [   0.0004049600000000,  0.0006487200000000,  0.0007201200000000 ]  - [   0.0009520200000000, -0.0003559000000000, -0.0003415500000000 ]  - [  -0.0001735300000000, -0.0003805600000000, -0.0002107400000000 ]  - [   0.0000334500000000,  0.0000898100000000,  0.0000195100000000 ]  - [  -0.0001662500000000, -0.0000843100000000, -0.0001416400000000 ]  - [  -0.0012897200000000, -0.0002085000000000, -0.0000531200000000 ]  - [  -0.0016198400000000, -0.0022081800000000, -0.0004221300000000 ]  - [   0.0002190000000000, -0.0016110900000000,  0.0003514400000000 ]  - [   0.0025619500000000,  0.0017948800000000, -0.0033839100000000 ]  - [   0.0030756300000000, -0.0002514400000000, -0.0008636100000000 ]  - [  -0.0012982800000000, -0.0034987000000000, -0.0029380400000000 ]  - [   0.0004732100000000, -0.0007019600000000,  0.0010154900000000 ]  - [   0.0001677400000000, -0.0000724400000000, -0.0002141000000000 ]  - [  -0.0006274100000000, -0.0004218100000000,  0.0005853000000000 ]  - [   0.0002151900000000,  0.0002850900000000, -0.0004159300000000 ]  - [  -0.0006781300000000,  0.0000289000000000,  0.0003544400000000 ]  - [   0.0000906700000000,  0.0003979800000000,  0.0007537300000000 ]  - [  -0.0002378700000000, -0.0032254400000000, -0.0032145500000000 ]  - [   0.0001210900000000, -0.0003077800000000,  0.0003656600000000 ]  - [  -0.0038947900000000,  0.0012450400000000, -0.0047226100000000 ]  - [  -0.0006511000000000, -0.0000290900000000,  0.0010294800000000 ]  - [   0.0000696800000000,  0.0001297500000000, -0.0000167400000000 ]  - [  -0.0000046000000000,  0.0020578700000000,  0.0005131900000000 ]  - [  -0.0299381700000000,  0.0055710400000000,  0.0138278800000000 ]  - [  -0.0018840500000000, -0.0194048900000000,  0.0116285100000000 ]  - [   0.0004977300000000,  0.0008723200000000,  0.0007985000000000 ]  - [  -0.0006588300000000,  0.0002398200000000, -0.0004197100000000 ]  - [   0.0002551100000000, -0.0006195200000000, -0.0002076800000000 ]  - [   0.0005893000000000,  0.0048165900000000, -0.0025267000000000 ]  - [   0.2369674300000000,  0.1183123700000000,  0.0121021900000000 ]  - [  -0.0017391600000000, -0.0026938700000000, -0.0001290500000000 ]  - [   0.0009013800000000, -0.0044129300000000, -0.0040786200000000 ]  - [  -0.0038050100000000,  0.0012540000000000,  0.0030726100000000 ]  - [  -0.0031686700000000,  0.0018563600000000,  0.0000085600000000 ]  - [   0.0009176900000000,  0.0014706000000000, -0.0013152200000000 ]  - [  -0.0004328000000000, -0.0002942200000000,  0.0001751200000000 ]  - [  -0.0004888800000000, -0.0000499000000000,  0.0002924300000000 ]  - [   0.0000429400000000,  0.0002625200000000, -0.0000435300000000 ]  - [   0.0002857500000000, -0.0002130000000000, -0.0000498900000000 ]  - [   0.0010130800000000,  0.0001410000000000,  0.0000725000000000 ]  - [  -0.0002721900000000, -0.0001119200000000, -0.0000551600000000 ]  - [  -0.0004342900000000, -0.0001419900000000,  0.0001819800000000 ]  - [   0.0012835100000000, -0.0002926100000000,  0.0001008600000000 ]  - [  -0.0065583000000000, -0.0001276100000000, -0.0036816200000000 ]  - [   0.0012824100000000,  0.0041723500000000,  0.0002030800000000 ]  - [  -0.0007520200000000, -0.0001029500000000,  0.0005338200000000 ]  - [   0.0009284400000000, -0.0043822800000000,  0.0031774100000000 ]- atom:   49  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0013430000000000,  0.0028000700000000,  0.0005203300000000 ]  - [   0.0000529700000000,  0.0004568700000000,  0.0006391700000000 ]  - [  -0.0001049000000000, -0.0001929500000000,  0.0022698100000000 ]  - [   0.0002369600000000, -0.0007645700000000,  0.0001619400000000 ]  - [   0.0018727500000000, -0.0015485000000000, -0.0000128600000000 ]  - [   0.0008726200000000, -0.0000573800000000,  0.0003548700000000 ]  - [  -0.0004037100000000, -0.0006749000000000,  0.0003354600000000 ]  - [   0.0110861300000000,  0.0023771800000000,  0.0135178400000000 ]  - [   0.0000357000000000,  0.0000338700000000,  0.0017124000000000 ]  - [   0.0001487900000000, -0.0006048600000000,  0.0017487300000000 ]  - [  -0.0002599600000000,  0.0003509500000000,  0.0003849800000000 ]  - [   0.0071805600000000,  0.0085863900000000,  0.0134082000000000 ]  - [   0.0001476400000000, -0.0000146800000000, -0.0006442500000000 ]  - [  -0.0001119300000000, -0.0002377700000000, -0.0009662700000000 ]  - [  -0.0001062200000000,  0.0001064400000000, -0.0011397900000000 ]  - [  -0.0000420900000000,  0.0004382900000000, -0.0011873300000000 ]  - [   0.0002824800000000, -0.0001912700000000, -0.0010147500000000 ]  - [  -0.0003984600000000, -0.0002297100000000, -0.0006909500000000 ]  - [  -0.0011804500000000, -0.0003305600000000, -0.0011306600000000 ]  - [  -0.0000977200000000,  0.0004707400000000, -0.0005080700000000 ]  - [   0.0001072900000000, -0.0001077600000000, -0.0005692900000000 ]  - [   0.0008892600000000, -0.0001456400000000, -0.0012260800000000 ]  - [   0.0000962500000000, -0.0009428000000000, -0.0017239400000000 ]  - [  -0.0000993500000000,  0.0000979900000000, -0.0006843100000000 ]  - [   0.0009135200000000,  0.0009964300000000,  0.0003905300000000 ]  - [  -0.0005282900000000,  0.0018354000000000, -0.0000159500000000 ]  - [  -0.0009951200000000,  0.0009409000000000,  0.0002003800000000 ]  - [  -0.0002941600000000,  0.0005863400000000,  0.0021805100000000 ]  - [   0.0009461500000000, -0.0004018000000000,  0.0005743600000000 ]  - [   0.0026221700000000, -0.0006165800000000,  0.0004040900000000 ]  - [  -0.0013049600000000,  0.0003337300000000, -0.0017651600000000 ]  - [   0.0001200200000000,  0.0004440400000000, -0.0007347800000000 ]  - [   0.0007760500000000,  0.0004699800000000, -0.0012726700000000 ]  - [   0.0000476900000000, -0.0004258900000000, -0.0005268700000000 ]  - [  -0.0004099400000000, -0.0004874300000000, -0.0010856600000000 ]  - [  -0.0001853500000000, -0.0001026800000000, -0.0004677100000000 ]  - [   0.0004408400000000,  0.0007508800000000,  0.0002778700000000 ]  - [  -0.0008018200000000, -0.0002537100000000,  0.0011375300000000 ]  - [   0.0008535100000000,  0.0000232200000000,  0.0002345300000000 ]  - [  -0.0006099000000000, -0.0005639600000000,  0.0011360300000000 ]  - [  -0.0000722900000000, -0.0000383900000000,  0.0011194500000000 ]  - [  -0.0009580300000000, -0.0005506200000000, -0.0037019400000000 ]  - [  -0.0072037800000000, -0.0047368800000000, -0.0056271600000000 ]  - [  -0.0077757000000000, -0.0037588100000000, -0.0058570800000000 ]  - [  -0.0046981000000000,  0.0022314000000000,  0.0037656100000000 ]  - [   0.0005394100000000,  0.0003126500000000,  0.0021412600000000 ]  - [   0.0005330000000000,  0.0003032600000000,  0.0021448900000000 ]  - [  -0.0004093800000000, -0.0051243500000000,  0.0037480100000000 ]  - [  -0.0118675400000000, -0.0069754700000000, -0.0311279600000000 ]  - [   0.0000060000000000, -0.0000741300000000, -0.0009823300000000 ]  - [   0.0040423900000000,  0.0019753700000000,  0.0002096100000000 ]  - [  -0.0013944300000000, -0.0006483800000000,  0.0000200700000000 ]  - [   0.0000841000000000,  0.0002704100000000, -0.0009828500000000 ]  - [   0.0031344900000000, -0.0018111800000000,  0.0000342700000000 ]  - [  -0.0001194500000000, -0.0002068000000000,  0.0005377200000000 ]  - [   0.0001171400000000,  0.0004796900000000,  0.0002048000000000 ]  - [  -0.0000210200000000,  0.0001335800000000,  0.0008776700000000 ]  - [   0.0001223100000000, -0.0000587100000000,  0.0008372800000000 ]  - [   0.0001437100000000,  0.0000386700000000,  0.0032541500000000 ]  - [  -0.0001218100000000, -0.0000879000000000,  0.0008374800000000 ]  - [  -0.0001111600000000, -0.0002192900000000,  0.0005406900000000 ]  - [  -0.0001532700000000,  0.0001057000000000,  0.0032220400000000 ]  - [   0.0035769500000000,  0.0026947300000000,  0.0002436000000000 ]  - [   0.0002505100000000,  0.0035785900000000,  0.0000462000000000 ]  - [   0.0005968200000000,  0.0000835400000000,  0.0002118900000000 ]  - [  -0.0013788900000000, -0.0011209800000000,  0.0000604300000000 ]