# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/6682f4b6-ec03-4dc8-8082-d52b1bab31f4/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 KTlO / C2/m (12) / materials id 27716](https://mdr.nims.go.jp/datasets/ffe251dc-c06d-481d-acf9-542ddedb3045)

## Fulltext

phonopy:  version: 2.17.1  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05  nac_unit_conversion_factor: 14.399652  configuration:    save_params: ".true."physical_unit:  atomic_mass: "AMU"  length: "angstrom"  force_constants: "eV/angstrom^2"space_group:  type: "C2/m"  number: 12  Hall_symbol: "-C 2y"primitive_matrix:- [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [ -0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [  0.000000000000000,  0.000000000000000,  1.000000000000000 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   4,   0 ]- [   0,   0,   3 ]primitive_cell:  lattice:  - [     6.446021320000000,    -1.809828695000000,    -0.010006035000000 ] # a  - [     6.446021320000000,     1.809828695000000,    -0.010006035000000 ] # b  - [    -1.842083440000000,     0.000000000000000,     6.001998420000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.750859400000000,  0.750859400000000,  0.216264140000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.249140600000000,  0.249140600000000,  0.783735860000000 ]    mass: 15.999400  - symbol: K  # 3    coordinates: [  0.127801690000000,  0.127801690000000,  0.344900800000000 ]    mass: 39.098300  - symbol: K  # 4    coordinates: [  0.872198310000000,  0.872198310000000,  0.655099200000000 ]    mass: 39.098300  - symbol: Tl # 5    coordinates: [  0.637339920000000,  0.637339920000000,  0.848065690000000 ]    mass: 204.383300  - symbol: Tl # 6    coordinates: [  0.362660080000000,  0.362660080000000,  0.151934310000000 ]    mass: 204.383300  reciprocal_lattice: # without 2pi  - [     0.077604198816481,    -0.276269241051016,     0.023817635312591 ] # a*  - [     0.077604198816481,     0.276269241051016,     0.023817635312591 ] # b*  - [     0.000258750594441,     0.000000000000000,     0.166690587063685 ] # c*unit_cell:  lattice:  - [    12.892042640000000,     0.000000000000000,    -0.020012070000000 ] # a  - [     0.000000000000000,     3.619657390000000,     0.000000000000000 ] # b  - [    -1.842083440000000,     0.000000000000000,     6.001998420000000 ] # c  points:  - symbol: O  # 1    coordinates: [  0.750859400000000,  0.000000000000000,  0.216264140000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.749140600000000,  0.500000000000000,  0.783735860000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.250859400000000,  0.500000000000000,  0.216264140000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 4    coordinates: [  0.249140600000000,  0.000000000000000,  0.783735860000000 ]    mass: 15.999400    reduced_to: 2  - symbol: K  # 5    coordinates: [  0.627801690000000,  0.500000000000000,  0.344900800000000 ]    mass: 39.098300    reduced_to: 5  - symbol: K  # 6    coordinates: [  0.872198310000000,  0.000000000000000,  0.655099200000000 ]    mass: 39.098300    reduced_to: 6  - symbol: K  # 7    coordinates: [  0.127801690000000,  0.000000000000000,  0.344900800000000 ]    mass: 39.098300    reduced_to: 5  - symbol: K  # 8    coordinates: [  0.372198310000000,  0.500000000000000,  0.655099200000000 ]    mass: 39.098300    reduced_to: 6  - symbol: Tl # 9    coordinates: [  0.637339920000000,  0.000000000000000,  0.848065690000000 ]    mass: 204.383300    reduced_to: 9  - symbol: Tl # 10    coordinates: [  0.862660080000000,  0.500000000000000,  0.151934310000000 ]    mass: 204.383300    reduced_to: 10  - symbol: Tl # 11    coordinates: [  0.137339920000000,  0.500000000000000,  0.848065690000000 ]    mass: 204.383300    reduced_to: 9  - symbol: Tl # 12    coordinates: [  0.362660080000000,  0.000000000000000,  0.151934310000000 ]    mass: 204.383300    reduced_to: 10supercell:  lattice:  - [    12.892042640000000,     0.000000000000000,    -0.020012070000000 ] # a  - [     0.000000000000000,    14.478629560000000,     0.000000000000000 ] # b  - [    -5.526250320000000,     0.000000000000000,    18.005995259999999 ] # c  points:  - symbol: O  # 1    coordinates: [  0.750859400000000,  0.000000000000000,  0.072088046666667 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.750859400000000,  0.250000000000000,  0.072088046666667 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 3    coordinates: [  0.750859400000000,  0.500000000000000,  0.072088046666667 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 4    coordinates: [  0.750859400000000,  0.750000000000000,  0.072088046666667 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 5    coordinates: [  0.750859400000000,  0.000000000000000,  0.405421380000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 6    coordinates: [  0.750859400000000,  0.250000000000000,  0.405421380000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 7    coordinates: [  0.750859400000000,  0.500000000000000,  0.405421380000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 8    coordinates: [  0.750859400000000,  0.750000000000000,  0.405421380000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 9    coordinates: [  0.750859400000000,  0.000000000000000,  0.738754713333333 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 10    coordinates: [  0.750859400000000,  0.250000000000000,  0.738754713333333 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 11    coordinates: [  0.750859400000000,  0.500000000000000,  0.738754713333333 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 12    coordinates: [  0.750859400000000,  0.750000000000000,  0.738754713333333 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 13    coordinates: [  0.749140600000000,  0.125000000000000,  0.261245286666667 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.749140600000000,  0.375000000000000,  0.261245286666667 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 15    coordinates: [  0.749140600000000,  0.625000000000000,  0.261245286666667 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 16    coordinates: [  0.749140600000000,  0.875000000000000,  0.261245286666667 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 17    coordinates: [  0.749140600000000,  0.125000000000000,  0.594578620000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 18    coordinates: [  0.749140600000000,  0.375000000000000,  0.594578620000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 19    coordinates: [  0.749140600000000,  0.625000000000000,  0.594578620000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 20    coordinates: [  0.749140600000000,  0.875000000000000,  0.594578620000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 21    coordinates: [  0.749140600000000,  0.125000000000000,  0.927911953333333 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 22    coordinates: [  0.749140600000000,  0.375000000000000,  0.927911953333333 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 23    coordinates: [  0.749140600000000,  0.625000000000000,  0.927911953333333 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 24    coordinates: [  0.749140600000000,  0.875000000000000,  0.927911953333333 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 25    coordinates: [  0.250859400000000,  0.125000000000000,  0.072088046666667 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 26    coordinates: [  0.250859400000000,  0.375000000000000,  0.072088046666667 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 27    coordinates: [  0.250859400000000,  0.625000000000000,  0.072088046666667 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 28    coordinates: [  0.250859400000000,  0.875000000000000,  0.072088046666667 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 29    coordinates: [  0.250859400000000,  0.125000000000000,  0.405421380000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 30    coordinates: [  0.250859400000000,  0.375000000000000,  0.405421380000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 31    coordinates: [  0.250859400000000,  0.625000000000000,  0.405421380000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 32    coordinates: [  0.250859400000000,  0.875000000000000,  0.405421380000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 33    coordinates: [  0.250859400000000,  0.125000000000000,  0.738754713333333 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 34    coordinates: [  0.250859400000000,  0.375000000000000,  0.738754713333333 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 35    coordinates: [  0.250859400000000,  0.625000000000000,  0.738754713333333 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 36    coordinates: [  0.250859400000000,  0.875000000000000,  0.738754713333333 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 37    coordinates: [  0.249140600000000,  0.000000000000000,  0.261245286666667 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 38    coordinates: [  0.249140600000000,  0.250000000000000,  0.261245286666667 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 39    coordinates: [  0.249140600000000,  0.500000000000000,  0.261245286666667 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 40    coordinates: [  0.249140600000000,  0.750000000000000,  0.261245286666667 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 41    coordinates: [  0.249140600000000,  0.000000000000000,  0.594578620000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 42    coordinates: [  0.249140600000000,  0.250000000000000,  0.594578620000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 43    coordinates: [  0.249140600000000,  0.500000000000000,  0.594578620000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 44    coordinates: [  0.249140600000000,  0.750000000000000,  0.594578620000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 45    coordinates: [  0.249140600000000,  0.000000000000000,  0.927911953333333 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 46    coordinates: [  0.249140600000000,  0.250000000000000,  0.927911953333333 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 47    coordinates: [  0.249140600000000,  0.500000000000000,  0.927911953333333 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 48    coordinates: [  0.249140600000000,  0.750000000000000,  0.927911953333333 ]    mass: 15.999400    reduced_to: 13  - symbol: K  # 49    coordinates: [  0.627801690000000,  0.125000000000000,  0.114966933333333 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 50    coordinates: [  0.627801690000000,  0.375000000000000,  0.114966933333333 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 51    coordinates: [  0.627801690000000,  0.625000000000000,  0.114966933333333 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 52    coordinates: [  0.627801690000000,  0.875000000000000,  0.114966933333333 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 53    coordinates: [  0.627801690000000,  0.125000000000000,  0.448300266666667 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 54    coordinates: [  0.627801690000000,  0.375000000000000,  0.448300266666667 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 55    coordinates: [  0.627801690000000,  0.625000000000000,  0.448300266666667 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 56    coordinates: [  0.627801690000000,  0.875000000000000,  0.448300266666667 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 57    coordinates: [  0.627801690000000,  0.125000000000000,  0.781633600000000 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 58    coordinates: [  0.627801690000000,  0.375000000000000,  0.781633600000000 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 59    coordinates: [  0.627801690000000,  0.625000000000000,  0.781633600000000 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 60    coordinates: [  0.627801690000000,  0.875000000000000,  0.781633600000000 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 61    coordinates: [  0.872198310000000,  0.000000000000000,  0.218366400000000 ]    mass: 39.098300    reduced_to: 61  - symbol: K  # 62    coordinates: [  0.872198310000000,  0.250000000000000,  0.218366400000000 ]    mass: 39.098300    reduced_to: 61  - symbol: K  # 63    coordinates: [  0.872198310000000,  0.500000000000000,  0.218366400000000 ]    mass: 39.098300    reduced_to: 61  - symbol: K  # 64    coordinates: [  0.872198310000000,  0.750000000000000,  0.218366400000000 ]    mass: 39.098300    reduced_to: 61  - symbol: K  # 65    coordinates: [  0.872198310000000,  0.000000000000000,  0.551699733333333 ]    mass: 39.098300    reduced_to: 61  - symbol: K  # 66    coordinates: [  0.872198310000000,  0.250000000000000,  0.551699733333333 ]    mass: 39.098300    reduced_to: 61  - symbol: K  # 67    coordinates: [  0.872198310000000,  0.500000000000000,  0.551699733333333 ]    mass: 39.098300    reduced_to: 61  - symbol: K  # 68    coordinates: [  0.872198310000000,  0.750000000000000,  0.551699733333333 ]    mass: 39.098300    reduced_to: 61  - symbol: K  # 69    coordinates: [  0.872198310000000,  0.000000000000000,  0.885033066666667 ]    mass: 39.098300    reduced_to: 61  - symbol: K  # 70    coordinates: [  0.872198310000000,  0.250000000000000,  0.885033066666667 ]    mass: 39.098300    reduced_to: 61  - symbol: K  # 71    coordinates: [  0.872198310000000,  0.500000000000000,  0.885033066666667 ]    mass: 39.098300    reduced_to: 61  - symbol: K  # 72    coordinates: [  0.872198310000000,  0.750000000000000,  0.885033066666667 ]    mass: 39.098300    reduced_to: 61  - symbol: K  # 73    coordinates: [  0.127801690000000,  0.000000000000000,  0.114966933333333 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 74    coordinates: [  0.127801690000000,  0.250000000000000,  0.114966933333333 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 75    coordinates: [  0.127801690000000,  0.500000000000000,  0.114966933333333 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 76    coordinates: [  0.127801690000000,  0.750000000000000,  0.114966933333333 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 77    coordinates: [  0.127801690000000,  0.000000000000000,  0.448300266666667 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 78    coordinates: [  0.127801690000000,  0.250000000000000,  0.448300266666667 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 79    coordinates: [  0.127801690000000,  0.500000000000000,  0.448300266666667 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 80    coordinates: [  0.127801690000000,  0.750000000000000,  0.448300266666667 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 81    coordinates: [  0.127801690000000,  0.000000000000000,  0.781633600000000 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 82    coordinates: [  0.127801690000000,  0.250000000000000,  0.781633600000000 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 83    coordinates: [  0.127801690000000,  0.500000000000000,  0.781633600000000 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 84    coordinates: [  0.127801690000000,  0.750000000000000,  0.781633600000000 ]    mass: 39.098300    reduced_to: 49  - symbol: K  # 85    coordinates: [  0.372198310000000,  0.125000000000000,  0.218366400000000 ]    mass: 39.098300    reduced_to: 61  - symbol: K  # 86    coordinates: [  0.372198310000000,  0.375000000000000,  0.218366400000000 ]    mass: 39.098300    reduced_to: 61  - symbol: K  # 87    coordinates: [  0.372198310000000,  0.625000000000000,  0.218366400000000 ]    mass: 39.098300    reduced_to: 61  - symbol: K  # 88    coordinates: [  0.372198310000000,  0.875000000000000,  0.218366400000000 ]    mass: 39.098300    reduced_to: 61  - symbol: K  # 89    coordinates: [  0.372198310000000,  0.125000000000000,  0.551699733333333 ]    mass: 39.098300    reduced_to: 61  - symbol: K  # 90    coordinates: [  0.372198310000000,  0.375000000000000,  0.551699733333333 ]    mass: 39.098300    reduced_to: 61  - symbol: K  # 91    coordinates: [  0.372198310000000,  0.625000000000000,  0.551699733333333 ]    mass: 39.098300    reduced_to: 61  - symbol: K  # 92    coordinates: [  0.372198310000000,  0.875000000000000,  0.551699733333333 ]    mass: 39.098300    reduced_to: 61  - symbol: K  # 93    coordinates: [  0.372198310000000,  0.125000000000000,  0.885033066666667 ]    mass: 39.098300    reduced_to: 61  - symbol: K  # 94    coordinates: [  0.372198310000000,  0.375000000000000,  0.885033066666667 ]    mass: 39.098300    reduced_to: 61  - symbol: K  # 95    coordinates: [  0.372198310000000,  0.625000000000000,  0.885033066666667 ]    mass: 39.098300    reduced_to: 61  - symbol: K  # 96    coordinates: [  0.372198310000000,  0.875000000000000,  0.885033066666667 ]    mass: 39.098300    reduced_to: 61  - symbol: Tl # 97    coordinates: [  0.637339920000000,  0.000000000000000,  0.282688563333333 ]    mass: 204.383300    reduced_to: 97  - symbol: Tl # 98    coordinates: [  0.637339920000000,  0.250000000000000,  0.282688563333333 ]    mass: 204.383300    reduced_to: 97  - symbol: Tl # 99    coordinates: [  0.637339920000000,  0.500000000000000,  0.282688563333333 ]    mass: 204.383300    reduced_to: 97  - symbol: Tl # 100    coordinates: [  0.637339920000000,  0.750000000000000,  0.282688563333333 ]    mass: 204.383300    reduced_to: 97  - symbol: Tl # 101    coordinates: [  0.637339920000000,  0.000000000000000,  0.616021896666667 ]    mass: 204.383300    reduced_to: 97  - symbol: Tl # 102    coordinates: [  0.637339920000000,  0.250000000000000,  0.616021896666667 ]    mass: 204.383300    reduced_to: 97  - symbol: Tl # 103    coordinates: [  0.637339920000000,  0.500000000000000,  0.616021896666667 ]    mass: 204.383300    reduced_to: 97  - symbol: Tl # 104    coordinates: [  0.637339920000000,  0.750000000000000,  0.616021896666667 ]    mass: 204.383300    reduced_to: 97  - symbol: Tl # 105    coordinates: [  0.637339920000000,  0.000000000000000,  0.949355230000000 ]    mass: 204.383300    reduced_to: 97  - symbol: Tl # 106    coordinates: [  0.637339920000000,  0.250000000000000,  0.949355230000000 ]    mass: 204.383300    reduced_to: 97  - symbol: Tl # 107    coordinates: [  0.637339920000000,  0.500000000000000,  0.949355230000000 ]    mass: 204.383300    reduced_to: 97  - symbol: Tl # 108    coordinates: [  0.637339920000000,  0.750000000000000,  0.949355230000000 ]    mass: 204.383300    reduced_to: 97  - symbol: Tl # 109    coordinates: [  0.862660080000000,  0.125000000000000,  0.050644770000000 ]    mass: 204.383300    reduced_to: 109  - symbol: Tl # 110    coordinates: [  0.862660080000000,  0.375000000000000,  0.050644770000000 ]    mass: 204.383300    reduced_to: 109  - symbol: Tl # 111    coordinates: [  0.862660080000000,  0.625000000000000,  0.050644770000000 ]    mass: 204.383300    reduced_to: 109  - symbol: Tl # 112    coordinates: [  0.862660080000000,  0.875000000000000,  0.050644770000000 ]    mass: 204.383300    reduced_to: 109  - symbol: Tl # 113    coordinates: [  0.862660080000000,  0.125000000000000,  0.383978103333333 ]    mass: 204.383300    reduced_to: 109  - symbol: Tl # 114    coordinates: [  0.862660080000000,  0.375000000000000,  0.383978103333333 ]    mass: 204.383300    reduced_to: 109  - symbol: Tl # 115    coordinates: [  0.862660080000000,  0.625000000000000,  0.383978103333333 ]    mass: 204.383300    reduced_to: 109  - symbol: Tl # 116    coordinates: [  0.862660080000000,  0.875000000000000,  0.383978103333333 ]    mass: 204.383300    reduced_to: 109  - symbol: Tl # 117    coordinates: [  0.862660080000000,  0.125000000000000,  0.717311436666667 ]    mass: 204.383300    reduced_to: 109  - symbol: Tl # 118    coordinates: [  0.862660080000000,  0.375000000000000,  0.717311436666667 ]    mass: 204.383300    reduced_to: 109  - symbol: Tl # 119    coordinates: [  0.862660080000000,  0.625000000000000,  0.717311436666667 ]    mass: 204.383300    reduced_to: 109  - symbol: Tl # 120    coordinates: [  0.862660080000000,  0.875000000000000,  0.717311436666667 ]    mass: 204.383300    reduced_to: 109  - symbol: Tl # 121    coordinates: [  0.137339920000000,  0.125000000000000,  0.282688563333333 ]    mass: 204.383300    reduced_to: 97  - symbol: Tl # 122    coordinates: [  0.137339920000000,  0.375000000000000,  0.282688563333333 ]    mass: 204.383300    reduced_to: 97  - symbol: Tl # 123    coordinates: [  0.137339920000000,  0.625000000000000,  0.282688563333333 ]    mass: 204.383300    reduced_to: 97  - symbol: Tl # 124    coordinates: [  0.137339920000000,  0.875000000000000,  0.282688563333333 ]    mass: 204.383300    reduced_to: 97  - symbol: Tl # 125    coordinates: [  0.137339920000000,  0.125000000000000,  0.616021896666667 ]    mass: 204.383300    reduced_to: 97  - symbol: Tl # 126    coordinates: [  0.137339920000000,  0.375000000000000,  0.616021896666667 ]    mass: 204.383300    reduced_to: 97  - symbol: Tl # 127    coordinates: [  0.137339920000000,  0.625000000000000,  0.616021896666667 ]    mass: 204.383300    reduced_to: 97  - symbol: Tl # 128    coordinates: [  0.137339920000000,  0.875000000000000,  0.616021896666667 ]    mass: 204.383300    reduced_to: 97  - symbol: Tl # 129    coordinates: [  0.137339920000000,  0.125000000000000,  0.949355230000000 ]    mass: 204.383300    reduced_to: 97  - symbol: Tl # 130    coordinates: [  0.137339920000000,  0.375000000000000,  0.949355230000000 ]    mass: 204.383300    reduced_to: 97  - symbol: Tl # 131    coordinates: [  0.137339920000000,  0.625000000000000,  0.949355230000000 ]    mass: 204.383300    reduced_to: 97  - symbol: Tl # 132    coordinates: [  0.137339920000000,  0.875000000000000,  0.949355230000000 ]    mass: 204.383300    reduced_to: 97  - symbol: Tl # 133    coordinates: [  0.362660080000000,  0.000000000000000,  0.050644770000000 ]    mass: 204.383300    reduced_to: 109  - symbol: Tl # 134    coordinates: [  0.362660080000000,  0.250000000000000,  0.050644770000000 ]    mass: 204.383300    reduced_to: 109  - symbol: Tl # 135    coordinates: [  0.362660080000000,  0.500000000000000,  0.050644770000000 ]    mass: 204.383300    reduced_to: 109  - symbol: Tl # 136    coordinates: [  0.362660080000000,  0.750000000000000,  0.050644770000000 ]    mass: 204.383300    reduced_to: 109  - symbol: Tl # 137    coordinates: [  0.362660080000000,  0.000000000000000,  0.383978103333333 ]    mass: 204.383300    reduced_to: 109  - symbol: Tl # 138    coordinates: [  0.362660080000000,  0.250000000000000,  0.383978103333333 ]    mass: 204.383300    reduced_to: 109  - symbol: Tl # 139    coordinates: [  0.362660080000000,  0.500000000000000,  0.383978103333333 ]    mass: 204.383300    reduced_to: 109  - symbol: Tl # 140    coordinates: [  0.362660080000000,  0.750000000000000,  0.383978103333333 ]    mass: 204.383300    reduced_to: 109  - symbol: Tl # 141    coordinates: [  0.362660080000000,  0.000000000000000,  0.717311436666667 ]    mass: 204.383300    reduced_to: 109  - symbol: Tl # 142    coordinates: [  0.362660080000000,  0.250000000000000,  0.717311436666667 ]    mass: 204.383300    reduced_to: 109  - symbol: Tl # 143    coordinates: [  0.362660080000000,  0.500000000000000,  0.717311436666667 ]    mass: 204.383300    reduced_to: 109  - symbol: Tl # 144    coordinates: [  0.362660080000000,  0.750000000000000,  0.717311436666667 ]    mass: 204.383300    reduced_to: 109born_effective_charge:- # 1 (O)  - [ -2.234424070000000, -0.000000000000000, -0.443273970000000 ]  - [ -0.000000000000000, -2.818166410000000,  0.000000000000000 ]  - [ -0.313668400000000,  0.000000000000000, -2.121434470000000 ]- # 2 (O)  - [ -2.234424070000000, -0.000000000000000, -0.443273970000000 ]  - [ -0.000000000000000, -2.818166410000000,  0.000000000000000 ]  - [ -0.313668400000000,  0.000000000000000, -2.121434470000000 ]- # 3 (K)  - [  1.127965340000000, -0.000000000000000, -0.177165830000000 ]  - [ -0.000000000000000,  1.054614700000000,  0.000000000000000 ]  - [ -0.225904330000000,  0.000000000000000,  1.444430890000000 ]- # 4 (K)  - [  1.127965340000000, -0.000000000000000, -0.177165830000000 ]  - [ -0.000000000000000,  1.054614700000000,  0.000000000000000 ]  - [ -0.225904330000000,  0.000000000000000,  1.444430890000000 ]- # 5 (Tl)  - [  1.106458740000000,  0.000000000000000,  0.620439800000000 ]  - [  0.000000000000000,  1.763551710000000, -0.000000000000000 ]  - [  0.539572730000000, -0.000000000000000,  0.677003570000000 ]- # 6 (Tl)  - [  1.106458740000000,  0.000000000000000,  0.620439800000000 ]  - [  0.000000000000000,  1.763551710000000, -0.000000000000000 ]  - [  0.539572730000000, -0.000000000000000,  0.677003570000000 ]dielectric_constant:  - [  5.088947030000000,  0.000000000000000,  0.387892900000000 ]  - [  0.000000000000000,  5.632185860000000,  0.000000000000000 ]  - [  0.387899500000000,  0.000000000000000,  4.738998200000000 ]displacements:- atom:    1  displacement:    [   0.0099999879521437,  0.0000000000000000, -0.0000155227890945 ]  forces:  - [  -0.0491087700000000,  0.0000000000000000, -0.0010650000000000 ]  - [  -0.0075697600000000, -0.0006276100000000,  0.0013683700000000 ]  - [  -0.0046942200000000,  0.0000000000000000,  0.0010487300000000 ]  - [  -0.0075697600000000,  0.0006276100000000,  0.0013683700000000 ]  - [  -0.0028185400000000,  0.0000000000000000,  0.0006440600000000 ]  - [  -0.0024903900000000, -0.0001719500000000,  0.0010276500000000 ]  - [  -0.0022434500000000,  0.0000000000000000,  0.0013813500000000 ]  - [  -0.0024903900000000,  0.0001719500000000,  0.0010276500000000 ]  - [  -0.0028237900000000,  0.0000000000000000,  0.0015800700000000 ]  - [  -0.0024974200000000, -0.0002499400000000,  0.0012056100000000 ]  - [  -0.0022501900000000,  0.0000000000000000,  0.0012265200000000 ]  - [  -0.0024974200000000,  0.0002499400000000,  0.0012056100000000 ]  - [   0.0018312500000000, -0.0004750500000000, -0.0030604900000000 ]  - [   0.0020002600000000, -0.0002010300000000, -0.0010575100000000 ]  - [   0.0020002600000000,  0.0002010300000000, -0.0010575100000000 ]  - [   0.0018312500000000,  0.0004750500000000, -0.0030604900000000 ]  - [   0.0022396600000000, -0.0001642700000000, -0.0015077100000000 ]  - [   0.0022806400000000, -0.0000789100000000, -0.0014138500000000 ]  - [   0.0022806400000000,  0.0000789100000000, -0.0014138500000000 ]  - [   0.0022396600000000,  0.0001642700000000, -0.0015077100000000 ]  - [  -0.0035892800000000, -0.0033318200000000, -0.0057419500000000 ]  - [   0.0013835900000000, -0.0005538900000000, -0.0020777500000000 ]  - [   0.0013835900000000,  0.0005538900000000, -0.0020777500000000 ]  - [  -0.0035892800000000,  0.0033318200000000, -0.0057419500000000 ]  - [  -0.0008945000000000, -0.0006714600000000,  0.0014261400000000 ]  - [  -0.0016423600000000, -0.0001894600000000,  0.0012199000000000 ]  - [  -0.0016423600000000,  0.0001894600000000,  0.0012199000000000 ]  - [  -0.0008945000000000,  0.0006714600000000,  0.0014261400000000 ]  - [  -0.0019230800000000, -0.0000507900000000,  0.0020583900000000 ]  - [  -0.0021842400000000, -0.0000307600000000,  0.0016278200000000 ]  - [  -0.0021842400000000,  0.0000307600000000,  0.0016278200000000 ]  - [  -0.0019230800000000,  0.0000507900000000,  0.0020583900000000 ]  - [  -0.0019287400000000, -0.0004976200000000,  0.0012808000000000 ]  - [  -0.0021899800000000, -0.0001669100000000,  0.0012686700000000 ]  - [  -0.0021899800000000,  0.0001669100000000,  0.0012686700000000 ]  - [  -0.0019287400000000,  0.0004976200000000,  0.0012808000000000 ]  - [   0.0027916300000000,  0.0000000000000000, -0.0011549800000000 ]  - [   0.0026398500000000,  0.0000733500000000, -0.0010326200000000 ]  - [   0.0025079600000000,  0.0000000000000000, -0.0012426900000000 ]  - [   0.0026398500000000, -0.0000733500000000, -0.0010326200000000 ]  - [   0.0031345300000000,  0.0000000000000000, -0.0000801000000000 ]  - [   0.0022662800000000, -0.0001615800000000, -0.0011991800000000 ]  - [   0.0021729100000000,  0.0000000000000000, -0.0013442100000000 ]  - [   0.0022662800000000,  0.0001615800000000, -0.0011991800000000 ]  - [   0.0043130400000000,  0.0000000000000000, -0.0004152800000000 ]  - [   0.0032593600000000,  0.0002976900000000, -0.0009869700000000 ]  - [   0.0025869500000000,  0.0000000000000000, -0.0013210100000000 ]  - [   0.0032593600000000, -0.0002976900000000, -0.0009869700000000 ]  - [   0.0024603400000000, -0.0026914800000000, -0.0010384000000000 ]  - [  -0.0022754900000000,  0.0005495200000000,  0.0000437700000000 ]  - [  -0.0022754900000000, -0.0005495200000000,  0.0000437700000000 ]  - [   0.0024603400000000,  0.0026914800000000, -0.0010384000000000 ]  - [  -0.0026992800000000,  0.0000677100000000,  0.0002767400000000 ]  - [  -0.0026388700000000,  0.0000535200000000,  0.0002137900000000 ]  - [  -0.0026388700000000, -0.0000535200000000,  0.0002137900000000 ]  - [  -0.0026992800000000, -0.0000677100000000,  0.0002767400000000 ]  - [  -0.0017992300000000,  0.0010187200000000, -0.0005844500000000 ]  - [  -0.0025523400000000,  0.0000811600000000,  0.0003373000000000 ]  - [  -0.0025523400000000, -0.0000811600000000,  0.0003373000000000 ]  - [  -0.0017992300000000, -0.0010187200000000, -0.0005844500000000 ]  - [   0.0056718700000000,  0.0000000000000000,  0.0034299400000000 ]  - [   0.0033407900000000,  0.0001211500000000, -0.0006884000000000 ]  - [   0.0027354400000000,  0.0000000000000000, -0.0006412000000000 ]  - [   0.0033407900000000, -0.0001211500000000, -0.0006884000000000 ]  - [   0.0025210100000000,  0.0000000000000000, -0.0001216100000000 ]  - [   0.0025383700000000,  0.0000600500000000, -0.0001586100000000 ]  - [   0.0025641300000000,  0.0000000000000000, -0.0001947000000000 ]  - [   0.0025383700000000, -0.0000600500000000, -0.0001586100000000 ]  - [   0.0031121300000000,  0.0000000000000000,  0.0009071800000000 ]  - [   0.0026102300000000, -0.0004062900000000,  0.0010577900000000 ]  - [   0.0024996900000000,  0.0000000000000000,  0.0001321100000000 ]  - [   0.0026102300000000,  0.0004062900000000,  0.0010577900000000 ]  - [  -0.0034989400000000,  0.0000000000000000, -0.0001422400000000 ]  - [  -0.0037230100000000, -0.0004012200000000, -0.0002725700000000 ]  - [  -0.0028469800000000,  0.0000000000000000,  0.0001199600000000 ]  - [  -0.0037230100000000,  0.0004012200000000, -0.0002725700000000 ]  - [  -0.0024386600000000,  0.0000000000000000, -0.0000640700000000 ]  - [  -0.0024745800000000,  0.0000260500000000,  0.0000287500000000 ]  - [  -0.0025175600000000,  0.0000000000000000,  0.0000894400000000 ]  - [  -0.0024745800000000, -0.0000260500000000,  0.0000287500000000 ]  - [  -0.0028362800000000,  0.0000000000000000,  0.0004431400000000 ]  - [  -0.0027084500000000,  0.0000228800000000,  0.0003873000000000 ]  - [  -0.0026172000000000,  0.0000000000000000,  0.0003298500000000 ]  - [  -0.0027084500000000, -0.0000228800000000,  0.0003873000000000 ]  - [   0.0021958200000000,  0.0000751500000000, -0.0001383000000000 ]  - [   0.0024361500000000,  0.0000183500000000, -0.0002283700000000 ]  - [   0.0024361500000000, -0.0000183500000000, -0.0002283700000000 ]  - [   0.0021958200000000, -0.0000751500000000, -0.0001383000000000 ]  - [   0.0026729100000000,  0.0001241300000000, -0.0004193400000000 ]  - [   0.0026094800000000,  0.0000308000000000, -0.0002815100000000 ]  - [   0.0026094800000000, -0.0000308000000000, -0.0002815100000000 ]  - [   0.0026729100000000, -0.0001241300000000, -0.0004193400000000 ]  - [   0.0017901400000000,  0.0004759000000000, -0.0001187000000000 ]  - [   0.0025581300000000,  0.0001136000000000, -0.0001209000000000 ]  - [   0.0025581300000000, -0.0001136000000000, -0.0001209000000000 ]  - [   0.0017901400000000, -0.0004759000000000, -0.0001187000000000 ]  - [  -0.0063002000000000,  0.0000000000000000, -0.0022517200000000 ]  - [  -0.0063011600000000,  0.0004139000000000, -0.0028205600000000 ]  - [  -0.0064003100000000,  0.0000000000000000, -0.0029963900000000 ]  - [  -0.0063011600000000, -0.0004139000000000, -0.0028205600000000 ]  - [  -0.0063342400000000,  0.0000000000000000, -0.0029779300000000 ]  - [  -0.0064014200000000,  0.0000652100000000, -0.0029452600000000 ]  - [  -0.0064120200000000,  0.0000000000000000, -0.0029382300000000 ]  - [  -0.0064014200000000, -0.0000652100000000, -0.0029452600000000 ]  - [   0.0053386100000000,  0.0000000000000000,  0.0065898800000000 ]  - [  -0.0053213800000000,  0.0006359600000000, -0.0024129800000000 ]  - [  -0.0060657700000000,  0.0000000000000000, -0.0022519600000000 ]  - [  -0.0053213800000000, -0.0006359600000000, -0.0024129800000000 ]  - [   0.0274789100000000,  0.0110524000000000,  0.0033251000000000 ]  - [   0.0075761700000000,  0.0000098300000000,  0.0036679700000000 ]  - [   0.0075761700000000, -0.0000098300000000,  0.0036679700000000 ]  - [   0.0274789100000000, -0.0110524000000000,  0.0033251000000000 ]  - [   0.0066344000000000,  0.0001034900000000,  0.0033094000000000 ]  - [   0.0064442000000000,  0.0001223600000000,  0.0029450100000000 ]  - [   0.0064442000000000, -0.0001223600000000,  0.0029450100000000 ]  - [   0.0066344000000000, -0.0001034900000000,  0.0033094000000000 ]  - [   0.0065035700000000,  0.0001129300000000,  0.0029714300000000 ]  - [   0.0064027500000000,  0.0000409200000000,  0.0029870800000000 ]  - [   0.0064027500000000, -0.0000409200000000,  0.0029870800000000 ]  - [   0.0065035700000000, -0.0001129300000000,  0.0029714300000000 ]  - [  -0.0068203300000000, -0.0000289100000000, -0.0030638500000000 ]  - [  -0.0065141500000000, -0.0000598800000000, -0.0030466300000000 ]  - [  -0.0065141500000000,  0.0000598800000000, -0.0030466300000000 ]  - [  -0.0068203300000000,  0.0000289100000000, -0.0030638500000000 ]  - [  -0.0064957000000000,  0.0002534100000000, -0.0030182100000000 ]  - [  -0.0063973600000000,  0.0000766300000000, -0.0029758000000000 ]  - [  -0.0063973600000000, -0.0000766300000000, -0.0029758000000000 ]  - [  -0.0064957000000000, -0.0002534100000000, -0.0030182100000000 ]  - [  -0.0071667600000000,  0.0000061800000000, -0.0037709000000000 ]  - [  -0.0065302900000000, -0.0000009000000000, -0.0031195800000000 ]  - [  -0.0065302900000000,  0.0000009000000000, -0.0031195800000000 ]  - [  -0.0071667600000000, -0.0000061800000000, -0.0037709000000000 ]  - [   0.0054778200000000,  0.0000000000000000,  0.0022480600000000 ]  - [   0.0060248000000000,  0.0000025400000000,  0.0027465200000000 ]  - [   0.0063208000000000,  0.0000000000000000,  0.0029119700000000 ]  - [   0.0060248000000000, -0.0000025400000000,  0.0027465200000000 ]  - [   0.0061790200000000,  0.0000000000000000,  0.0027756800000000 ]  - [   0.0062447200000000, -0.0000365700000000,  0.0028213700000000 ]  - [   0.0063232500000000,  0.0000000000000000,  0.0028990900000000 ]  - [   0.0062447200000000,  0.0000365700000000,  0.0028213700000000 ]  - [   0.0053433200000000,  0.0000000000000000,  0.0030606900000000 ]  - [   0.0063815300000000,  0.0002152700000000,  0.0029100000000000 ]  - [   0.0064635600000000,  0.0000000000000000,  0.0029629700000000 ]  - [   0.0063815300000000, -0.0002152700000000,  0.0029100000000000 ]- atom:    1  displacement:    [  -0.0099999879521437,  0.0000000000000000,  0.0000155227890945 ]  forces:  - [   0.0441428500000000,  0.0000000000000000,  0.0038167100000000 ]  - [   0.0029200200000000,  0.0006139800000000,  0.0012793900000000 ]  - [   0.0000545300000000,  0.0000000000000000,  0.0015959700000000 ]  - [   0.0029200200000000, -0.0006139800000000,  0.0012793900000000 ]  - [  -0.0018072600000000,  0.0000000000000000,  0.0020063900000000 ]  - [  -0.0021351500000000,  0.0001699200000000,  0.0016210500000000 ]  - [  -0.0023843800000000,  0.0000000000000000,  0.0012657500000000 ]  - [  -0.0021351500000000, -0.0001699200000000,  0.0016210500000000 ]  - [  -0.0018156900000000,  0.0000000000000000,  0.0011198300000000 ]  - [  -0.0021429800000000,  0.0002491300000000,  0.0014948900000000 ]  - [  -0.0023909800000000,  0.0000000000000000,  0.0014735400000000 ]  - [  -0.0021429800000000, -0.0002491300000000,  0.0014948900000000 ]  - [   0.0028193200000000,  0.0004687100000000,  0.0003587100000000 ]  - [   0.0026399000000000,  0.0002010300000000, -0.0016413600000000 ]  - [   0.0026399000000000, -0.0002010300000000, -0.0016413600000000 ]  - [   0.0028193200000000, -0.0004687100000000,  0.0003587100000000 ]  - [   0.0023877300000000,  0.0001633700000000, -0.0011394100000000 ]  - [   0.0023473800000000,  0.0000785300000000, -0.0012329100000000 ]  - [   0.0023473800000000, -0.0000785300000000, -0.0012329100000000 ]  - [   0.0023877300000000, -0.0001633700000000, -0.0011394100000000 ]  - [   0.0082127800000000,  0.0033112700000000,  0.0031210400000000 ]  - [   0.0032393400000000,  0.0005516800000000, -0.0005708700000000 ]  - [   0.0032393400000000, -0.0005516800000000, -0.0005708700000000 ]  - [   0.0082127800000000, -0.0033112700000000,  0.0031210400000000 ]  - [  -0.0037376500000000,  0.0006724300000000,  0.0012209100000000 ]  - [  -0.0029880100000000,  0.0001901700000000,  0.0014262000000000 ]  - [  -0.0029880100000000, -0.0001901700000000,  0.0014262000000000 ]  - [  -0.0037376500000000, -0.0006724300000000,  0.0012209100000000 ]  - [  -0.0027059000000000,  0.0000498000000000,  0.0005877900000000 ]  - [  -0.0024443300000000,  0.0000299300000000,  0.0010195400000000 ]  - [  -0.0024443300000000, -0.0000299300000000,  0.0010195400000000 ]  - [  -0.0027059000000000, -0.0000498000000000,  0.0005877900000000 ]  - [  -0.0027090300000000,  0.0004954100000000,  0.0014192100000000 ]  - [  -0.0024491300000000,  0.0001660900000000,  0.0014312600000000 ]  - [  -0.0024491300000000, -0.0001660900000000,  0.0014312600000000 ]  - [  -0.0027090300000000, -0.0004954100000000,  0.0014192100000000 ]  - [   0.0018477000000000,  0.0000000000000000, -0.0015472300000000 ]  - [   0.0019985200000000, -0.0000760300000000, -0.0016662400000000 ]  - [   0.0021326200000000,  0.0000000000000000, -0.0014558900000000 ]  - [   0.0019985200000000,  0.0000760300000000, -0.0016662400000000 ]  - [   0.0014961800000000,  0.0000000000000000, -0.0025632600000000 ]  - [   0.0023626900000000,  0.0001602100000000, -0.0014474200000000 ]  - [   0.0024543000000000,  0.0000000000000000, -0.0013014700000000 ]  - [   0.0023626900000000, -0.0001602100000000, -0.0014474200000000 ]  - [   0.0003163600000000,  0.0000000000000000, -0.0022384500000000 ]  - [   0.0013670900000000, -0.0003011400000000, -0.0016631100000000 ]  - [   0.0020417800000000,  0.0000000000000000, -0.0013260200000000 ]  - [   0.0013670900000000,  0.0003011400000000, -0.0016631100000000 ]  - [  -0.0078143800000000,  0.0029079500000000,  0.0015192400000000 ]  - [  -0.0028901500000000, -0.0005511500000000,  0.0003492000000000 ]  - [  -0.0028901500000000,  0.0005511500000000,  0.0003492000000000 ]  - [  -0.0078143800000000, -0.0029079500000000,  0.0015192400000000 ]  - [  -0.0024635100000000, -0.0000678300000000,  0.0001122900000000 ]  - [  -0.0025241200000000, -0.0000535800000000,  0.0001756600000000 ]  - [  -0.0025241200000000,  0.0000535800000000,  0.0001756600000000 ]  - [  -0.0024635100000000,  0.0000678300000000,  0.0001122900000000 ]  - [  -0.0033606300000000, -0.0010170000000000,  0.0009652900000000 ]  - [  -0.0026094500000000, -0.0000800600000000,  0.0000481400000000 ]  - [  -0.0026094500000000,  0.0000800600000000,  0.0000481400000000 ]  - [  -0.0033606300000000,  0.0010170000000000,  0.0009652900000000 ]  - [  -0.0005181300000000,  0.0000000000000000, -0.0037543500000000 ]  - [   0.0018214900000000, -0.0001160400000000,  0.0003031700000000 ]  - [   0.0024271400000000,  0.0000000000000000,  0.0002536500000000 ]  - [   0.0018214900000000,  0.0001160400000000,  0.0003031700000000 ]  - [   0.0026415300000000,  0.0000000000000000, -0.0002683300000000 ]  - [   0.0026241200000000, -0.0000597300000000, -0.0002310700000000 ]  - [   0.0025986100000000,  0.0000000000000000, -0.0001947900000000 ]  - [   0.0026241200000000,  0.0000597300000000, -0.0002310700000000 ]  - [   0.0020519100000000,  0.0000000000000000, -0.0013023500000000 ]  - [   0.0025558700000000,  0.0004090600000000, -0.0014469500000000 ]  - [   0.0026642300000000,  0.0000000000000000, -0.0005233100000000 ]  - [   0.0025558700000000, -0.0004090600000000, -0.0014469500000000 ]  - [  -0.0016628300000000,  0.0000000000000000,  0.0005359800000000 ]  - [  -0.0014417600000000,  0.0004059500000000,  0.0006629400000000 ]  - [  -0.0023176200000000,  0.0000000000000000,  0.0002708300000000 ]  - [  -0.0014417600000000, -0.0004059500000000,  0.0006629400000000 ]  - [  -0.0027248100000000,  0.0000000000000000,  0.0004522500000000 ]  - [  -0.0026879900000000, -0.0000245700000000,  0.0003611400000000 ]  - [  -0.0026444100000000,  0.0000000000000000,  0.0002988200000000 ]  - [  -0.0026879900000000,  0.0000245700000000,  0.0003611400000000 ]  - [  -0.0023256600000000,  0.0000000000000000, -0.0000561900000000 ]  - [  -0.0024538300000000, -0.0000230200000000, -0.0000008800000000 ]  - [  -0.0025453500000000,  0.0000000000000000,  0.0000573700000000 ]  - [  -0.0024538300000000,  0.0000230200000000, -0.0000008800000000 ]  - [   0.0029687800000000, -0.0000753700000000, -0.0002477900000000 ]  - [   0.0027265400000000, -0.0000178900000000, -0.0001590600000000 ]  - [   0.0027265400000000,  0.0000178900000000, -0.0001590600000000 ]  - [   0.0029687800000000,  0.0000753700000000, -0.0002477900000000 ]  - [   0.0024907300000000, -0.0001217300000000,  0.0000290300000000 ]  - [   0.0025529200000000, -0.0000312500000000, -0.0001090900000000 ]  - [   0.0025529200000000,  0.0000312500000000, -0.0001090900000000 ]  - [   0.0024907300000000,  0.0001217300000000,  0.0000290300000000 ]  - [   0.0033659000000000, -0.0004715100000000, -0.0002727500000000 ]  - [   0.0026044500000000, -0.0001128500000000, -0.0002696500000000 ]  - [   0.0026044500000000,  0.0001128500000000, -0.0002696500000000 ]  - [   0.0033659000000000,  0.0004715100000000, -0.0002727500000000 ]  - [  -0.0064651800000000,  0.0000000000000000, -0.0036627800000000 ]  - [  -0.0064626900000000, -0.0004134500000000, -0.0030931200000000 ]  - [  -0.0063612600000000,  0.0000000000000000, -0.0029149200000000 ]  - [  -0.0064626900000000,  0.0004134500000000, -0.0030931200000000 ]  - [  -0.0064503300000000,  0.0000000000000000, -0.0029552100000000 ]  - [  -0.0063840000000000, -0.0000650400000000, -0.0029886600000000 ]  - [  -0.0063735400000000,  0.0000000000000000, -0.0029956500000000 ]  - [  -0.0063840000000000,  0.0000650400000000, -0.0029886600000000 ]  - [  -0.0181186700000000,  0.0000000000000000, -0.0127213600000000 ]  - [  -0.0074602100000000, -0.0006278600000000, -0.0035524600000000 ]  - [  -0.0067097100000000,  0.0000000000000000, -0.0037160600000000 ]  - [  -0.0074602100000000,  0.0006278600000000, -0.0035524600000000 ]  - [  -0.0143047800000000, -0.0105137500000000,  0.0025269200000000 ]  - [   0.0052138400000000, -0.0000128400000000,  0.0023027100000000 ]  - [   0.0052138400000000,  0.0000128400000000,  0.0023027100000000 ]  - [  -0.0143047800000000,  0.0105137500000000,  0.0025269200000000 ]  - [   0.0061495000000000, -0.0001036200000000,  0.0026246300000000 ]  - [   0.0063408500000000, -0.0001222800000000,  0.0029885300000000 ]  - [   0.0063408500000000,  0.0001222800000000,  0.0029885300000000 ]  - [   0.0061495000000000,  0.0001036200000000,  0.0026246300000000 ]  - [   0.0062573300000000, -0.0001124500000000,  0.0029389000000000 ]  - [   0.0063588100000000, -0.0000408400000000,  0.0029238700000000 ]  - [   0.0063588100000000,  0.0000408400000000,  0.0029238700000000 ]  - [   0.0062573300000000,  0.0001124500000000,  0.0029389000000000 ]  - [  -0.0059395300000000,  0.0000291400000000, -0.0028476100000000 ]  - [  -0.0062486000000000,  0.0000597500000000, -0.0028647900000000 ]  - [  -0.0062486000000000, -0.0000597500000000, -0.0028647900000000 ]  - [  -0.0059395300000000, -0.0000291400000000, -0.0028476100000000 ]  - [  -0.0062903600000000, -0.0002521900000000, -0.0029160000000000 ]  - [  -0.0063882500000000, -0.0000761800000000, -0.0029583200000000 ]  - [  -0.0063882500000000,  0.0000761800000000, -0.0029583200000000 ]  - [  -0.0062903600000000,  0.0002521900000000, -0.0029160000000000 ]  - [  -0.0056116500000000, -0.0000046500000000, -0.0021954600000000 ]  - [  -0.0062476100000000,  0.0000011500000000, -0.0028492900000000 ]  - [  -0.0062476100000000, -0.0000011500000000, -0.0028492900000000 ]  - [  -0.0056116500000000,  0.0000046500000000, -0.0021954600000000 ]  - [   0.0073016400000000,  0.0000000000000000,  0.0037263100000000 ]  - [   0.0067542200000000, -0.0000021400000000,  0.0032251100000000 ]  - [   0.0064565600000000,  0.0000000000000000,  0.0030585500000000 ]  - [   0.0067542200000000,  0.0000021400000000,  0.0032251100000000 ]  - [   0.0066060000000000,  0.0000000000000000,  0.0031583300000000 ]  - [   0.0065405300000000,  0.0000369100000000,  0.0031126000000000 ]  - [   0.0064621300000000,  0.0000000000000000,  0.0030348900000000 ]  - [   0.0065405300000000, -0.0000369100000000,  0.0031126000000000 ]  - [   0.0074130400000000,  0.0000000000000000,  0.0028534700000000 ]  - [   0.0063796000000000, -0.0002142300000000,  0.0030004900000000 ]  - [   0.0062975500000000,  0.0000000000000000,  0.0029477700000000 ]  - [   0.0063796000000000,  0.0002142300000000,  0.0030004900000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0026294900000000, -0.0445098500000000,  0.0013521200000000 ]  - [  -0.0016873000000000,  0.0053994300000000,  0.0002616300000000 ]  - [  -0.0023161300000000,  0.0038804100000000,  0.0013223400000000 ]  - [  -0.0029253100000000,  0.0053310600000000,  0.0023741100000000 ]  - [  -0.0023149200000000, -0.0005322600000000,  0.0013234000000000 ]  - [  -0.0020626400000000,  0.0001004900000000,  0.0017172400000000 ]  - [  -0.0023136900000000,  0.0003346700000000,  0.0013238900000000 ]  - [  -0.0025631700000000,  0.0001027300000000,  0.0009310900000000 ]  - [  -0.0023223500000000, -0.0005321800000000,  0.0013506800000000 ]  - [  -0.0021512200000000,  0.0001002400000000,  0.0008298900000000 ]  - [  -0.0023203100000000,  0.0003347300000000,  0.0013497500000000 ]  - [  -0.0024908100000000,  0.0001028300000000,  0.0018697100000000 ]  - [   0.0018541500000000, -0.0003814700000000,  0.0007844600000000 ]  - [   0.0021185500000000,  0.0005513500000000, -0.0010190100000000 ]  - [   0.0025202100000000,  0.0005518800000000, -0.0016775200000000 ]  - [   0.0027905900000000, -0.0003727500000000, -0.0034844600000000 ]  - [   0.0021494100000000, -0.0001772800000000, -0.0014845400000000 ]  - [   0.0022355700000000,  0.0001735300000000, -0.0013990800000000 ]  - [   0.0023924100000000,  0.0001743300000000, -0.0012493200000000 ]  - [   0.0024769900000000, -0.0001754500000000, -0.0011632600000000 ]  - [  -0.0010203300000000, -0.0000547500000000, -0.0077332600000000 ]  - [   0.0017591300000000,  0.0011221600000000, -0.0019909700000000 ]  - [   0.0028658200000000,  0.0011225600000000, -0.0006592500000000 ]  - [   0.0056433000000000, -0.0000286700000000,  0.0050495100000000 ]  - [  -0.0016391200000000, -0.0009042700000000,  0.0014697200000000 ]  - [  -0.0021247200000000,  0.0009563300000000,  0.0012266800000000 ]  - [  -0.0025037800000000,  0.0009557800000000,  0.0014199600000000 ]  - [  -0.0029818300000000, -0.0008998000000000,  0.0011782200000000 ]  - [  -0.0018162300000000, -0.0002051700000000,  0.0019232100000000 ]  - [  -0.0021477700000000,  0.0002156000000000,  0.0015327700000000 ]  - [  -0.0024799500000000,  0.0002164100000000,  0.0011155500000000 ]  - [  -0.0028119900000000, -0.0002038100000000,  0.0007245000000000 ]  - [  -0.0022670300000000, -0.0002072400000000,  0.0013654100000000 ]  - [  -0.0022887300000000,  0.0002149700000000,  0.0012808600000000 ]  - [  -0.0023492900000000,  0.0002167800000000,  0.0014181200000000 ]  - [  -0.0023676400000000, -0.0002015600000000,  0.0013332600000000 ]  - [   0.0023203900000000, -0.0007320400000000, -0.0013486100000000 ]  - [   0.0023953600000000,  0.0001065300000000, -0.0009841400000000 ]  - [   0.0023206100000000,  0.0004966500000000, -0.0013495200000000 ]  - [   0.0022441700000000,  0.0001091500000000, -0.0017137300000000 ]  - [   0.0023185100000000, -0.0002354200000000, -0.0013166900000000 ]  - [   0.0021532800000000,  0.0000170000000000, -0.0014521000000000 ]  - [   0.0023130800000000,  0.0001806400000000, -0.0013230900000000 ]  - [   0.0024750800000000,  0.0000192600000000, -0.0011946100000000 ]  - [   0.0023194800000000, -0.0020081000000000, -0.0013226400000000 ]  - [   0.0026157000000000,  0.0004931200000000, -0.0014440000000000 ]  - [   0.0023150900000000,  0.0008749000000000, -0.0013239200000000 ]  - [   0.0020159600000000,  0.0004938800000000, -0.0012051300000000 ]  - [  -0.0061967700000000,  0.0061497400000000,  0.0014976200000000 ]  - [  -0.0022131500000000, -0.0006998900000000, -0.0000039300000000 ]  - [  -0.0029478300000000, -0.0006981400000000,  0.0003941200000000 ]  - [   0.0008153700000000,  0.0059686600000000, -0.0010147000000000 ]  - [  -0.0025509400000000,  0.0001020500000000,  0.0001649200000000 ]  - [  -0.0025662000000000, -0.0001030400000000,  0.0001586800000000 ]  - [  -0.0025966200000000, -0.0001031900000000,  0.0002306800000000 ]  - [  -0.0026118700000000,  0.0001018800000000,  0.0002242400000000 ]  - [  -0.0023805500000000,  0.0002820500000000,  0.0006209200000000 ]  - [  -0.0025821600000000, -0.0002637800000000,  0.0004163300000000 ]  - [  -0.0025794100000000, -0.0002650800000000, -0.0000293200000000 ]  - [  -0.0027729700000000,  0.0002711800000000, -0.0002457400000000 ]  - [   0.0025805200000000,  0.0020659700000000, -0.0001947400000000 ]  - [   0.0025970700000000, -0.0006798100000000, -0.0014018600000000 ]  - [   0.0025810100000000, -0.0004879400000000, -0.0001944100000000 ]  - [   0.0025626800000000, -0.0006803200000000,  0.0010107500000000 ]  - [   0.0025809900000000,  0.0001456800000000, -0.0001950200000000 ]  - [   0.0025815200000000, -0.0000210600000000, -0.0002289100000000 ]  - [   0.0025811600000000, -0.0001032200000000, -0.0001949100000000 ]  - [   0.0025806400000000, -0.0000217500000000, -0.0001608500000000 ]  - [   0.0025871700000000,  0.0016955200000000, -0.0001949500000000 ]  - [   0.0022300500000000, -0.0008358600000000,  0.0012353000000000 ]  - [   0.0025817000000000, -0.0004948000000000, -0.0001949400000000 ]  - [   0.0029368500000000, -0.0008365800000000, -0.0016231100000000 ]  - [  -0.0025822800000000,  0.0014638100000000,  0.0001943100000000 ]  - [  -0.0037786500000000, -0.0005640100000000, -0.0004032100000000 ]  - [  -0.0025821800000000, -0.0004602000000000,  0.0001951300000000 ]  - [  -0.0013871700000000, -0.0005642900000000,  0.0007909100000000 ]  - [  -0.0025815600000000,  0.0002075500000000,  0.0001933800000000 ]  - [  -0.0025655900000000, -0.0000420000000000,  0.0001149900000000 ]  - [  -0.0025807700000000, -0.0001221900000000,  0.0001940100000000 ]  - [  -0.0025965200000000, -0.0000436700000000,  0.0002740300000000 ]  - [  -0.0025816200000000,  0.0002838400000000,  0.0001941200000000 ]  - [  -0.0026622600000000, -0.0000596500000000,  0.0003831200000000 ]  - [  -0.0025811700000000, -0.0001603100000000,  0.0001942200000000 ]  - [  -0.0025003500000000, -0.0000595700000000,  0.0000046300000000 ]  - [   0.0026172500000000,  0.0001853800000000, -0.0003325200000000 ]  - [   0.0025560800000000, -0.0001833700000000, -0.0002913700000000 ]  - [   0.0026063000000000, -0.0001841200000000, -0.0000965700000000 ]  - [   0.0025456600000000,  0.0001853400000000, -0.0000542000000000 ]  - [   0.0025857400000000,  0.0000782200000000, -0.0002071500000000 ]  - [   0.0025837800000000, -0.0000779800000000, -0.0002086100000000 ]  - [   0.0025785500000000, -0.0000777800000000, -0.0001822600000000 ]  - [   0.0025786000000000,  0.0000747700000000, -0.0001846100000000 ]  - [   0.0024093700000000,  0.0001968300000000, -0.0001111600000000 ]  - [   0.0026327300000000, -0.0001837400000000, -0.0001149900000000 ]  - [   0.0025296100000000, -0.0001851500000000, -0.0002749000000000 ]  - [   0.0027436700000000,  0.0001896200000000, -0.0002788700000000 ]  - [  -0.0063817300000000,  0.0008943300000000, -0.0029541300000000 ]  - [  -0.0064320200000000, -0.0002600500000000, -0.0031809500000000 ]  - [  -0.0063806600000000, -0.0003661400000000, -0.0029558400000000 ]  - [  -0.0063314600000000, -0.0002617400000000, -0.0027320600000000 ]  - [  -0.0063920500000000,  0.0001764900000000, -0.0029668000000000 ]  - [  -0.0063934300000000, -0.0000128800000000, -0.0028743000000000 ]  - [  -0.0063923000000000, -0.0001488400000000, -0.0029666900000000 ]  - [  -0.0063915000000000, -0.0000138400000000, -0.0030596700000000 ]  - [  -0.0063492000000000,  0.0071831300000000, -0.0029269600000000 ]  - [  -0.0048601400000000, -0.0015256000000000, -0.0015419700000000 ]  - [  -0.0063874600000000, -0.0009616100000000, -0.0029838700000000 ]  - [  -0.0079152800000000, -0.0015298800000000, -0.0044131400000000 ]  - [   0.0154546100000000,  0.0094955500000000,  0.0039051300000000 ]  - [   0.0065974600000000, -0.0023520100000000,  0.0036251100000000 ]  - [   0.0061766500000000, -0.0023381500000000,  0.0023468800000000 ]  - [  -0.0021982700000000,  0.0089963400000000,  0.0019411800000000 ]  - [   0.0063054000000000,  0.0002129500000000,  0.0026029500000000 ]  - [   0.0063600000000000, -0.0002043200000000,  0.0028834800000000 ]  - [   0.0064250800000000, -0.0002048000000000,  0.0030496200000000 ]  - [   0.0064792500000000,  0.0002119600000000,  0.0033315500000000 ]  - [   0.0064587200000000,  0.0001857800000000,  0.0030308200000000 ]  - [   0.0063947500000000, -0.0001830700000000,  0.0029930800000000 ]  - [   0.0063664100000000, -0.0001836800000000,  0.0029174900000000 ]  - [   0.0063031900000000,  0.0001846400000000,  0.0028798300000000 ]  - [  -0.0069842200000000,  0.0002113500000000, -0.0029832700000000 ]  - [  -0.0065333300000000, -0.0002297500000000, -0.0030191700000000 ]  - [  -0.0062287700000000, -0.0002304200000000, -0.0028921200000000 ]  - [  -0.0057777500000000,  0.0002112900000000, -0.0029295300000000 ]  - [  -0.0064270300000000,  0.0001026700000000, -0.0029630800000000 ]  - [  -0.0063974200000000, -0.0000977400000000, -0.0029555700000000 ]  - [  -0.0063876100000000, -0.0000984400000000, -0.0029785500000000 ]  - [  -0.0063599100000000,  0.0000991000000000, -0.0029714900000000 ]  - [  -0.0072221900000000,  0.0003769900000000, -0.0038683000000000 ]  - [  -0.0064978400000000, -0.0003851300000000, -0.0030051900000000 ]  - [  -0.0062795300000000, -0.0003855500000000, -0.0029647200000000 ]  - [  -0.0055611600000000,  0.0003756900000000, -0.0021035700000000 ]  - [   0.0063864400000000,  0.0003664800000000,  0.0029834800000000 ]  - [   0.0065005800000000,  0.0000957700000000,  0.0030244000000000 ]  - [   0.0063882300000000, -0.0005239500000000,  0.0029845700000000 ]  - [   0.0062770100000000,  0.0000940200000000,  0.0029452500000000 ]  - [   0.0063925300000000,  0.0003555300000000,  0.0029664100000000 ]  - [   0.0063367800000000, -0.0000755200000000,  0.0029149200000000 ]  - [   0.0063921200000000, -0.0002136900000000,  0.0029665600000000 ]  - [   0.0064483100000000, -0.0000766200000000,  0.0030187300000000 ]  - [   0.0063744300000000,  0.0002157900000000,  0.0029565200000000 ]  - [   0.0065404900000000, -0.0000016500000000,  0.0029702000000000 ]  - [   0.0063806700000000, -0.0001494700000000,  0.0029553400000000 ]  - [   0.0062206000000000, -0.0000043100000000,  0.0029396000000000 ]- atom:    1  displacement:    [  -0.0029340404841557,  0.0000000000000000,  0.0095598852732308 ]  forces:  - [   0.0091715100000000,  0.0000000000000000, -0.0489275300000000 ]  - [  -0.0007274200000000,  0.0011850700000000, -0.0002535500000000 ]  - [  -0.0018706200000000,  0.0000000000000000,  0.0008537700000000 ]  - [  -0.0007274200000000, -0.0011850700000000, -0.0002535500000000 ]  - [  -0.0019439300000000,  0.0000000000000000,  0.0023895900000000 ]  - [  -0.0024004700000000,  0.0005498400000000,  0.0019332900000000 ]  - [  -0.0024528500000000,  0.0000000000000000,  0.0014987300000000 ]  - [  -0.0024004700000000, -0.0005498400000000,  0.0019332900000000 ]  - [  -0.0028200200000000,  0.0000000000000000,  0.0021475000000000 ]  - [  -0.0025499200000000, -0.0003015900000000,  0.0019159500000000 ]  - [  -0.0022860900000000,  0.0000000000000000,  0.0015806800000000 ]  - [  -0.0025499200000000,  0.0003015900000000,  0.0019159500000000 ]  - [   0.0008278600000000,  0.0021877600000000,  0.0021617500000000 ]  - [   0.0026937700000000,  0.0003749500000000, -0.0014127000000000 ]  - [   0.0026937700000000, -0.0003749500000000, -0.0014127000000000 ]  - [   0.0008278600000000, -0.0021877600000000,  0.0021617500000000 ]  - [   0.0021600100000000, -0.0001050400000000, -0.0008984900000000 ]  - [   0.0022381500000000, -0.0000478100000000, -0.0010109300000000 ]  - [   0.0022381500000000,  0.0000478100000000, -0.0010109300000000 ]  - [   0.0021600100000000,  0.0001050400000000, -0.0008984900000000 ]  - [  -0.0001830600000000, -0.0051086100000000, -0.0004572800000000 ]  - [   0.0018670100000000, -0.0004726000000000, -0.0015766100000000 ]  - [   0.0018670100000000,  0.0004726000000000, -0.0015766100000000 ]  - [  -0.0001830600000000,  0.0051086100000000, -0.0004572800000000 ]  - [  -0.0026360300000000,  0.0000582000000000,  0.0011984400000000 ]  - [  -0.0026121500000000,  0.0001478400000000,  0.0011178400000000 ]  - [  -0.0026121500000000, -0.0001478400000000,  0.0011178400000000 ]  - [  -0.0026360300000000, -0.0000582000000000,  0.0011984400000000 ]  - [  -0.0024942800000000, -0.0000004800000000,  0.0014442100000000 ]  - [  -0.0024303700000000,  0.0000747200000000,  0.0013740100000000 ]  - [  -0.0024303700000000, -0.0000747200000000,  0.0013740100000000 ]  - [  -0.0024942800000000,  0.0000004800000000,  0.0014442100000000 ]  - [  -0.0017314800000000, -0.0004263300000000,  0.0017078200000000 ]  - [  -0.0020672400000000, -0.0001498500000000,  0.0015158500000000 ]  - [  -0.0020672400000000,  0.0001498500000000,  0.0015158500000000 ]  - [  -0.0017314800000000,  0.0004263300000000,  0.0017078200000000 ]  - [   0.0023694400000000,  0.0000000000000000, -0.0013046800000000 ]  - [   0.0025298600000000,  0.0003286100000000, -0.0013470000000000 ]  - [   0.0023672900000000,  0.0000000000000000, -0.0013318700000000 ]  - [   0.0025298600000000, -0.0003286100000000, -0.0013470000000000 ]  - [   0.0032610800000000,  0.0000000000000000,  0.0000855800000000 ]  - [   0.0024481900000000, -0.0000757000000000, -0.0009373500000000 ]  - [   0.0023352600000000,  0.0000000000000000, -0.0010853600000000 ]  - [   0.0024481900000000,  0.0000757000000000, -0.0009373500000000 ]  - [   0.0025903900000000,  0.0000000000000000, -0.0022692500000000 ]  - [   0.0023545300000000, -0.0002031900000000, -0.0019482700000000 ]  - [   0.0022349300000000,  0.0000000000000000, -0.0015770600000000 ]  - [   0.0023545300000000,  0.0002031900000000, -0.0019482700000000 ]  - [  -0.0042385700000000,  0.0008301400000000,  0.0026249600000000 ]  - [  -0.0027300900000000, -0.0003773000000000,  0.0006360600000000 ]  - [  -0.0027300900000000,  0.0003773000000000,  0.0006360600000000 ]  - [  -0.0042385700000000, -0.0008301400000000,  0.0026249600000000 ]  - [  -0.0023567400000000, -0.0000539100000000, -0.0002578500000000 ]  - [  -0.0024776200000000, -0.0000684900000000, -0.0001026500000000 ]  - [  -0.0024776200000000,  0.0000684900000000, -0.0001026500000000 ]  - [  -0.0023567400000000,  0.0000539100000000, -0.0002578500000000 ]  - [  -0.0019800400000000,  0.0007584900000000, -0.0010048900000000 ]  - [  -0.0025627100000000,  0.0001508700000000,  0.0000153300000000 ]  - [  -0.0025627100000000, -0.0001508700000000,  0.0000153300000000 ]  - [  -0.0019800400000000, -0.0007584900000000, -0.0010048900000000 ]  - [   0.0027922200000000,  0.0000000000000000,  0.0036063300000000 ]  - [   0.0018550800000000, -0.0010106600000000, -0.0000620800000000 ]  - [   0.0024682400000000,  0.0000000000000000,  0.0000921600000000 ]  - [   0.0018550800000000,  0.0010106600000000, -0.0000620800000000 ]  - [   0.0026811500000000,  0.0000000000000000, -0.0006587500000000 ]  - [   0.0026375600000000, -0.0000541200000000, -0.0005655700000000 ]  - [   0.0026063700000000,  0.0000000000000000, -0.0004497600000000 ]  - [   0.0026375600000000,  0.0000541200000000, -0.0005655700000000 ]  - [   0.0037294600000000,  0.0000000000000000, -0.0004254700000000 ]  - [   0.0029965100000000,  0.0002229500000000, -0.0002483700000000 ]  - [   0.0026776100000000,  0.0000000000000000, -0.0002172200000000 ]  - [   0.0029965100000000, -0.0002229500000000, -0.0002483700000000 ]  - [  -0.0026592000000000,  0.0000000000000000,  0.0003748400000000 ]  - [  -0.0022044300000000,  0.0001242800000000,  0.0004301200000000 ]  - [  -0.0025201100000000,  0.0000000000000000,  0.0003530300000000 ]  - [  -0.0022044300000000, -0.0001242800000000,  0.0004301200000000 ]  - [  -0.0027511200000000,  0.0000000000000000, -0.0001325600000000 ]  - [  -0.0026641000000000, -0.0000291900000000, -0.0000198000000000 ]  - [  -0.0026183400000000,  0.0000000000000000,  0.0000221500000000 ]  - [  -0.0026641000000000,  0.0000291900000000, -0.0000198000000000 ]  - [  -0.0027326400000000,  0.0000000000000000,  0.0002089400000000 ]  - [  -0.0026415900000000,  0.0000464500000000,  0.0002114900000000 ]  - [  -0.0025915800000000,  0.0000000000000000,  0.0002027000000000 ]  - [  -0.0026415900000000, -0.0000464500000000,  0.0002114900000000 ]  - [   0.0028371200000000, -0.0000144800000000, -0.0000431700000000 ]  - [   0.0026895900000000, -0.0000438400000000, -0.0000567700000000 ]  - [   0.0026895900000000,  0.0000438400000000, -0.0000567700000000 ]  - [   0.0028371200000000,  0.0000144800000000, -0.0000431700000000 ]  - [   0.0026608100000000,  0.0000977700000000, -0.0005579500000000 ]  - [   0.0026135000000000,  0.0000150100000000, -0.0004014700000000 ]  - [   0.0026135000000000, -0.0000150100000000, -0.0004014700000000 ]  - [   0.0026608100000000, -0.0000977700000000, -0.0005579500000000 ]  - [   0.0015512900000000,  0.0006209900000000, -0.0000821000000000 ]  - [   0.0024185800000000,  0.0000706600000000, -0.0001386700000000 ]  - [   0.0024185800000000, -0.0000706600000000, -0.0001386700000000 ]  - [   0.0015512900000000, -0.0006209900000000, -0.0000821000000000 ]  - [  -0.0055756000000000,  0.0000000000000000, -0.0041846200000000 ]  - [  -0.0061258800000000, -0.0009141900000000, -0.0031748600000000 ]  - [  -0.0063688400000000,  0.0000000000000000, -0.0030048600000000 ]  - [  -0.0061258800000000,  0.0009141900000000, -0.0031748600000000 ]  - [  -0.0063796400000000,  0.0000000000000000, -0.0031462800000000 ]  - [  -0.0064535900000000,  0.0000474600000000, -0.0031476800000000 ]  - [  -0.0064561700000000,  0.0000000000000000, -0.0030638500000000 ]  - [  -0.0064535900000000, -0.0000474600000000, -0.0031476800000000 ]  - [   0.0036601400000000,  0.0000000000000000,  0.0235947600000000 ]  - [  -0.0066714900000000,  0.0011340000000000, -0.0019752400000000 ]  - [  -0.0063614500000000,  0.0000000000000000, -0.0028874200000000 ]  - [  -0.0066714900000000, -0.0011340000000000, -0.0019752400000000 ]  - [  -0.0005560500000000, -0.0060638000000000,  0.0087361500000000 ]  - [   0.0062670400000000, -0.0002415200000000,  0.0032260700000000 ]  - [   0.0062670400000000,  0.0002415200000000,  0.0032260700000000 ]  - [  -0.0005560500000000,  0.0060638000000000,  0.0087361500000000 ]  - [   0.0060792200000000, -0.0002806100000000,  0.0020219500000000 ]  - [   0.0062122700000000, -0.0002129300000000,  0.0028758200000000 ]  - [   0.0062122700000000,  0.0002129300000000,  0.0028758200000000 ]  - [   0.0060792200000000,  0.0002806100000000,  0.0020219500000000 ]  - [   0.0064727100000000,  0.0000825200000000,  0.0027698200000000 ]  - [   0.0063919600000000,  0.0000906200000000,  0.0028448100000000 ]  - [   0.0063919600000000, -0.0000906200000000,  0.0028448100000000 ]  - [   0.0064727100000000, -0.0000825200000000,  0.0027698200000000 ]  - [  -0.0063062600000000,  0.0001351400000000, -0.0031337800000000 ]  - [  -0.0063161300000000, -0.0000441700000000, -0.0029872400000000 ]  - [  -0.0063161300000000,  0.0000441700000000, -0.0029872400000000 ]  - [  -0.0063062600000000, -0.0001351400000000, -0.0031337800000000 ]  - [  -0.0067270200000000,  0.0002068200000000, -0.0031052800000000 ]  - [  -0.0065047700000000,  0.0000472500000000, -0.0030583200000000 ]  - [  -0.0065047700000000, -0.0000472500000000, -0.0030583200000000 ]  - [  -0.0067270200000000, -0.0002068200000000, -0.0031052800000000 ]  - [  -0.0063470400000000,  0.0000228400000000, -0.0029650700000000 ]  - [  -0.0063161700000000, -0.0000022500000000, -0.0028516400000000 ]  - [  -0.0063161700000000,  0.0000022500000000, -0.0028516400000000 ]  - [  -0.0063470400000000, -0.0000228400000000, -0.0029650700000000 ]  - [   0.0065074000000000,  0.0000000000000000,  0.0030470700000000 ]  - [   0.0066026600000000,  0.0001063700000000,  0.0031223600000000 ]  - [   0.0064519600000000,  0.0000000000000000,  0.0030841100000000 ]  - [   0.0066026600000000, -0.0001063700000000,  0.0031223600000000 ]  - [   0.0064503300000000,  0.0000000000000000,  0.0030282900000000 ]  - [   0.0064185200000000, -0.0000170900000000,  0.0029441400000000 ]  - [   0.0063756600000000,  0.0000000000000000,  0.0029467800000000 ]  - [   0.0064185200000000,  0.0000170900000000,  0.0029441400000000 ]  - [   0.0052498500000000,  0.0000000000000000,  0.0029549700000000 ]  - [   0.0062299900000000,  0.0001642000000000,  0.0028134000000000 ]  - [   0.0063256800000000,  0.0000000000000000,  0.0028766000000000 ]  - [   0.0062299900000000, -0.0001642000000000,  0.0028134000000000 ]- atom:    1  displacement:    [   0.0029340404841557,  0.0000000000000000, -0.0095598852732308 ]  forces:  - [  -0.0133477000000000,  0.0000000000000000,  0.0523542000000000 ]  - [  -0.0038860200000000, -0.0011983600000000,  0.0028924300000000 ]  - [  -0.0027402400000000,  0.0000000000000000,  0.0017929100000000 ]  - [  -0.0038860200000000,  0.0011983600000000,  0.0028924300000000 ]  - [  -0.0026829800000000,  0.0000000000000000,  0.0002615300000000 ]  - [  -0.0022299500000000, -0.0005448300000000,  0.0007145200000000 ]  - [  -0.0021764300000000,  0.0000000000000000,  0.0011469900000000 ]  - [  -0.0022299500000000,  0.0005448300000000,  0.0007145200000000 ]  - [  -0.0018161000000000,  0.0000000000000000,  0.0005532400000000 ]  - [  -0.0020882700000000,  0.0003032700000000,  0.0007857200000000 ]  - [  -0.0023551900000000,  0.0000000000000000,  0.0011220200000000 ]  - [  -0.0020882700000000, -0.0003032700000000,  0.0007857200000000 ]  - [   0.0037957500000000, -0.0021685000000000, -0.0048445100000000 ]  - [   0.0019478700000000, -0.0003722600000000, -0.0012899700000000 ]  - [   0.0019478700000000,  0.0003722600000000, -0.0012899700000000 ]  - [   0.0037957500000000,  0.0021685000000000, -0.0048445100000000 ]  - [   0.0024677300000000,  0.0001056600000000, -0.0017451000000000 ]  - [   0.0023905700000000,  0.0000484000000000, -0.0016339900000000 ]  - [   0.0023905700000000, -0.0000484000000000, -0.0016339900000000 ]  - [   0.0024677300000000, -0.0001056600000000, -0.0017451000000000 ]  - [   0.0048235400000000,  0.0051571700000000, -0.0022160900000000 ]  - [   0.0027641000000000,  0.0004756300000000, -0.0010662300000000 ]  - [   0.0027641000000000, -0.0004756300000000, -0.0010662300000000 ]  - [   0.0048235400000000, -0.0051571700000000, -0.0022160900000000 ]  - [  -0.0019975000000000, -0.0000578000000000,  0.0014459700000000 ]  - [  -0.0020197300000000, -0.0001486700000000,  0.0015283600000000 ]  - [  -0.0020197300000000,  0.0001486700000000,  0.0015283600000000 ]  - [  -0.0019975000000000,  0.0000578000000000,  0.0014459700000000 ]  - [  -0.0021334000000000,  0.0000000000000000,  0.0012017700000000 ]  - [  -0.0021994300000000, -0.0000744700000000,  0.0012705000000000 ]  - [  -0.0021994300000000,  0.0000744700000000,  0.0012705000000000 ]  - [  -0.0021334000000000,  0.0000000000000000,  0.0012017700000000 ]  - [  -0.0029087200000000,  0.0004279600000000,  0.0009931300000000 ]  - [  -0.0025728200000000,  0.0001506000000000,  0.0011860400000000 ]  - [  -0.0025728200000000, -0.0001506000000000,  0.0011860400000000 ]  - [  -0.0029087200000000, -0.0004279600000000,  0.0009931300000000 ]  - [   0.0022715600000000,  0.0000000000000000, -0.0013995300000000 ]  - [   0.0021124200000000, -0.0003248700000000, -0.0013568000000000 ]  - [   0.0022737200000000,  0.0000000000000000, -0.0013700200000000 ]  - [   0.0021124200000000,  0.0003248700000000, -0.0013568000000000 ]  - [   0.0013632900000000,  0.0000000000000000, -0.0027365300000000 ]  - [   0.0021811800000000,  0.0000761200000000, -0.0017086800000000 ]  - [   0.0022932200000000,  0.0000000000000000, -0.0015591200000000 ]  - [   0.0021811800000000, -0.0000761200000000, -0.0017086800000000 ]  - [   0.0020232600000000,  0.0000000000000000, -0.0003782100000000 ]  - [   0.0022653200000000,  0.0001998500000000, -0.0006995000000000 ]  - [   0.0023905900000000,  0.0000000000000000, -0.0010697600000000 ]  - [   0.0022653200000000, -0.0001998500000000, -0.0006995000000000 ]  - [  -0.0010066500000000, -0.0007458000000000, -0.0022080900000000 ]  - [  -0.0024369300000000,  0.0003751000000000, -0.0002411100000000 ]  - [  -0.0024369300000000, -0.0003751000000000, -0.0002411100000000 ]  - [  -0.0010066500000000,  0.0007458000000000, -0.0022080900000000 ]  - [  -0.0028046300000000,  0.0000531200000000,  0.0006454900000000 ]  - [  -0.0026846300000000,  0.0000677900000000,  0.0004912400000000 ]  - [  -0.0026846300000000, -0.0000677900000000,  0.0004912400000000 ]  - [  -0.0028046300000000, -0.0000531200000000,  0.0006454900000000 ]  - [  -0.0031842400000000, -0.0007588900000000,  0.0013856700000000 ]  - [  -0.0025986200000000, -0.0001509400000000,  0.0003683700000000 ]  - [  -0.0025986200000000,  0.0001509400000000,  0.0003683700000000 ]  - [  -0.0031842400000000,  0.0007588900000000,  0.0013856700000000 ]  - [   0.0024872500000000,  0.0000000000000000, -0.0036618200000000 ]  - [   0.0033040100000000,  0.0010004700000000, -0.0003199200000000 ]  - [   0.0026931200000000,  0.0000000000000000, -0.0004733100000000 ]  - [   0.0033040100000000, -0.0010004700000000, -0.0003199200000000 ]  - [   0.0024823800000000,  0.0000000000000000,  0.0002664800000000 ]  - [   0.0025255100000000,  0.0000535900000000,  0.0001740800000000 ]  - [   0.0025566200000000,  0.0000000000000000,  0.0000593200000000 ]  - [   0.0025255100000000, -0.0000535900000000,  0.0001740800000000 ]  - [   0.0014278900000000,  0.0000000000000000,  0.0000300800000000 ]  - [   0.0021682400000000, -0.0002173100000000, -0.0001556200000000 ]  - [   0.0024866500000000,  0.0000000000000000, -0.0001785800000000 ]  - [   0.0021682400000000,  0.0002173100000000, -0.0001556200000000 ]  - [  -0.0025016300000000,  0.0000000000000000,  0.0000244000000000 ]  - [  -0.0029532800000000, -0.0001198700000000, -0.0000327500000000 ]  - [  -0.0026416100000000,  0.0000000000000000,  0.0000405200000000 ]  - [  -0.0029532800000000,  0.0001198700000000, -0.0000327500000000 ]  - [  -0.0024137100000000,  0.0000000000000000,  0.0005196900000000 ]  - [  -0.0024990100000000,  0.0000293300000000,  0.0004094900000000 ]  - [  -0.0025440500000000,  0.0000000000000000,  0.0003662100000000 ]  - [  -0.0024990100000000, -0.0000293300000000,  0.0004094900000000 ]  - [  -0.0024264800000000,  0.0000000000000000,  0.0001748500000000 ]  - [  -0.0025188900000000, -0.0000468600000000,  0.0001722400000000 ]  - [  -0.0025698900000000,  0.0000000000000000,  0.0001823400000000 ]  - [  -0.0025188900000000,  0.0000468600000000,  0.0001722400000000 ]  - [   0.0023277000000000,  0.0000139800000000, -0.0003396000000000 ]  - [   0.0024739000000000,  0.0000441800000000, -0.0003279000000000 ]  - [   0.0024739000000000, -0.0000441800000000, -0.0003279000000000 ]  - [   0.0023277000000000, -0.0000139800000000, -0.0003396000000000 ]  - [   0.0025020800000000, -0.0000967700000000,  0.0001679200000000 ]  - [   0.0025487800000000, -0.0000160000000000,  0.0000106700000000 ]  - [   0.0025487800000000,  0.0000160000000000,  0.0000106700000000 ]  - [   0.0025020800000000,  0.0000967700000000,  0.0001679200000000 ]  - [   0.0036160800000000, -0.0006248500000000, -0.0003118100000000 ]  - [   0.0027444100000000, -0.0000707300000000, -0.0002540100000000 ]  - [   0.0027444100000000,  0.0000707300000000, -0.0002540100000000 ]  - [   0.0036160800000000,  0.0006248500000000, -0.0003118100000000 ]  - [  -0.0071740600000000,  0.0000000000000000, -0.0017394800000000 ]  - [  -0.0066321200000000,  0.0009076100000000, -0.0027363800000000 ]  - [  -0.0063922600000000,  0.0000000000000000, -0.0029057000000000 ]  - [  -0.0066321200000000, -0.0009076100000000, -0.0027363800000000 ]  - [  -0.0064060000000000,  0.0000000000000000, -0.0027877500000000 ]  - [  -0.0063318400000000, -0.0000477800000000, -0.0027867900000000 ]  - [  -0.0063288500000000,  0.0000000000000000, -0.0028705900000000 ]  - [  -0.0063318400000000,  0.0000477800000000, -0.0027867900000000 ]  - [  -0.0169508000000000,  0.0000000000000000, -0.0306822800000000 ]  - [  -0.0061121200000000, -0.0011315000000000, -0.0040035900000000 ]  - [  -0.0064174900000000,  0.0000000000000000, -0.0030880000000000 ]  - [  -0.0061121200000000,  0.0011315000000000, -0.0040035900000000 ]  - [   0.0133669300000000,  0.0061689900000000, -0.0027308600000000 ]  - [   0.0065059100000000,  0.0002435500000000,  0.0027382600000000 ]  - [   0.0065059100000000, -0.0002435500000000,  0.0027382600000000 ]  - [   0.0133669300000000, -0.0061689900000000, -0.0027308600000000 ]  - [   0.0067062900000000,  0.0002774700000000,  0.0039057000000000 ]  - [   0.0065724900000000,  0.0002112900000000,  0.0030581500000000 ]  - [   0.0065724900000000, -0.0002112900000000,  0.0030581500000000 ]  - [   0.0067062900000000, -0.0002774700000000,  0.0039057000000000 ]  - [   0.0062865600000000, -0.0000827000000000,  0.0031400200000000 ]  - [   0.0063683700000000, -0.0000910000000000,  0.0030650300000000 ]  - [   0.0063683700000000,  0.0000910000000000,  0.0030650300000000 ]  - [   0.0062865600000000,  0.0000827000000000,  0.0031400200000000 ]  - [  -0.0064553200000000, -0.0001345000000000, -0.0027780200000000 ]  - [  -0.0064438400000000,  0.0000436900000000, -0.0029233800000000 ]  - [  -0.0064438400000000, -0.0000436900000000, -0.0029233800000000 ]  - [  -0.0064553200000000,  0.0001345000000000, -0.0027780200000000 ]  - [  -0.0060584900000000, -0.0002076000000000, -0.0028289700000000 ]  - [  -0.0062806400000000, -0.0000476300000000, -0.0028761600000000 ]  - [  -0.0062806400000000,  0.0000476300000000, -0.0028761600000000 ]  - [  -0.0060584900000000,  0.0002076000000000, -0.0028289700000000 ]  - [  -0.0064245300000000, -0.0000221900000000, -0.0029988500000000 ]  - [  -0.0064596400000000,  0.0000028100000000, -0.0031170200000000 ]  - [  -0.0064596400000000, -0.0000028100000000, -0.0031170200000000 ]  - [  -0.0064245300000000,  0.0000221900000000, -0.0029988500000000 ]  - [   0.0062762600000000,  0.0000000000000000,  0.0029263100000000 ]  - [   0.0061776200000000, -0.0001058500000000,  0.0028488300000000 ]  - [   0.0063261200000000,  0.0000000000000000,  0.0028860100000000 ]  - [   0.0061776200000000,  0.0001058500000000,  0.0028488300000000 ]  - [   0.0063351800000000,  0.0000000000000000,  0.0029063500000000 ]  - [   0.0063671600000000,  0.0000165300000000,  0.0029898200000000 ]  - [   0.0064098200000000,  0.0000000000000000,  0.0029872100000000 ]  - [   0.0063671600000000, -0.0000165300000000,  0.0029898200000000 ]  - [   0.0075147900000000,  0.0000000000000000,  0.0029577300000000 ]  - [   0.0065304400000000, -0.0001651300000000,  0.0030967500000000 ]  - [   0.0064342800000000,  0.0000000000000000,  0.0030333700000000 ]  - [   0.0065304400000000,  0.0001651300000000,  0.0030967500000000 ]- atom:   49  displacement:    [   0.0099999879521437,  0.0000000000000000, -0.0000155227890945 ]  forces:  - [   0.0029275200000000, -0.0036206900000000,  0.0011550100000000 ]  - [   0.0029275200000000,  0.0036206900000000,  0.0011550100000000 ]  - [  -0.0020063800000000, -0.0003687500000000,  0.0012635700000000 ]  - [  -0.0020063800000000,  0.0003687500000000,  0.0012635700000000 ]  - [  -0.0015299800000000,  0.0001940300000000,  0.0021965700000000 ]  - [  -0.0015299800000000, -0.0001940300000000,  0.0021965700000000 ]  - [  -0.0022860900000000,  0.0000018700000000,  0.0013512200000000 ]  - [  -0.0022860900000000, -0.0000018700000000,  0.0013512200000000 ]  - [  -0.0024377700000000,  0.0000310800000000,  0.0015490000000000 ]  - [  -0.0024377700000000, -0.0000310800000000,  0.0015490000000000 ]  - [  -0.0023771000000000, -0.0000151800000000,  0.0014407700000000 ]  - [  -0.0023771000000000,  0.0000151800000000,  0.0014407700000000 ]  - [   0.0054070400000000,  0.0000000000000000, -0.0002189900000000 ]  - [   0.0030795600000000,  0.0000188000000000, -0.0018747500000000 ]  - [   0.0024745100000000,  0.0000000000000000, -0.0014200300000000 ]  - [   0.0030795600000000, -0.0000188000000000, -0.0018747500000000 ]  - [   0.0022540400000000,  0.0000000000000000, -0.0012367200000000 ]  - [   0.0022709000000000,  0.0000009500000000, -0.0012769300000000 ]  - [   0.0022964100000000,  0.0000000000000000, -0.0013021200000000 ]  - [   0.0022709000000000, -0.0000009500000000, -0.0012769300000000 ]  - [   0.0028485800000000,  0.0000000000000000,  0.0000496300000000 ]  - [   0.0023404500000000, -0.0003547400000000, -0.0008837500000000 ]  - [   0.0022306900000000,  0.0000000000000000, -0.0012493700000000 ]  - [   0.0023404500000000,  0.0003547400000000, -0.0008837500000000 ]  - [  -0.0032304200000000,  0.0000000000000000,  0.0009627400000000 ]  - [  -0.0034525300000000,  0.0011930900000000,  0.0013643600000000 ]  - [  -0.0025782200000000,  0.0000000000000000,  0.0013051000000000 ]  - [  -0.0034525300000000, -0.0011930900000000,  0.0013643600000000 ]  - [  -0.0025698700000000,  0.0000000000000000,  0.0010831100000000 ]  - [  -0.0024420900000000,  0.0000807600000000,  0.0012191200000000 ]  - [  -0.0023495200000000,  0.0000000000000000,  0.0013004500000000 ]  - [  -0.0024420900000000, -0.0000807600000000,  0.0012191200000000 ]  - [  -0.0021763100000000,  0.0000000000000000,  0.0012183200000000 ]  - [  -0.0022129500000000, -0.0000157400000000,  0.0012967400000000 ]  - [  -0.0022563300000000,  0.0000000000000000,  0.0013311000000000 ]  - [  -0.0022129500000000,  0.0000157400000000,  0.0012967400000000 ]  - [   0.0019344200000000, -0.0000348300000000, -0.0012038200000000 ]  - [   0.0019344200000000,  0.0000348300000000, -0.0012038200000000 ]  - [   0.0021749400000000, -0.0000254500000000, -0.0012820300000000 ]  - [   0.0021749400000000,  0.0000254500000000, -0.0012820300000000 ]  - [   0.0024059500000000, -0.0000035400000000, -0.0012112200000000 ]  - [   0.0024059500000000,  0.0000035400000000, -0.0012112200000000 ]  - [   0.0023426400000000,  0.0000031000000000, -0.0012803500000000 ]  - [   0.0023426400000000, -0.0000031000000000, -0.0012803500000000 ]  - [   0.0015243600000000,  0.0001691300000000, -0.0026438100000000 ]  - [   0.0015243600000000, -0.0001691300000000, -0.0026438100000000 ]  - [   0.0022904900000000,  0.0000511300000000, -0.0015006600000000 ]  - [   0.0022904900000000, -0.0000511300000000, -0.0015006600000000 ]  - [  -0.0294757100000000,  0.0000000000000000,  0.0020353000000000 ]  - [  -0.0038099700000000, -0.0000054200000000,  0.0003367200000000 ]  - [  -0.0027328900000000,  0.0000000000000000,  0.0002725100000000 ]  - [  -0.0038099700000000,  0.0000054200000000,  0.0003367200000000 ]  - [  -0.0025237400000000,  0.0000000000000000,  0.0000317900000000 ]  - [  -0.0025424100000000, -0.0000804900000000,  0.0000857000000000 ]  - [  -0.0025718300000000,  0.0000000000000000,  0.0001679500000000 ]  - [  -0.0025424100000000,  0.0000804900000000,  0.0000857000000000 ]  - [  -0.0025235600000000,  0.0000000000000000, -0.0000613500000000 ]  - [  -0.0025420300000000,  0.0000729800000000,  0.0000392100000000 ]  - [  -0.0025715200000000,  0.0000000000000000,  0.0001195000000000 ]  - [  -0.0025420300000000, -0.0000729800000000,  0.0000392100000000 ]  - [   0.0044302000000000, -0.0021139700000000,  0.0020995000000000 ]  - [   0.0044302000000000,  0.0021139700000000,  0.0020995000000000 ]  - [   0.0025545600000000,  0.0001152500000000, -0.0000429300000000 ]  - [   0.0025545600000000, -0.0001152500000000, -0.0000429300000000 ]  - [   0.0025780400000000,  0.0000096700000000, -0.0002522900000000 ]  - [   0.0025780400000000, -0.0000096700000000, -0.0002522900000000 ]  - [   0.0025844200000000, -0.0000092000000000, -0.0002220800000000 ]  - [   0.0025844200000000,  0.0000092000000000, -0.0002220800000000 ]  - [   0.0028535700000000, -0.0001410300000000, -0.0004672800000000 ]  - [   0.0028535700000000,  0.0001410300000000, -0.0004672800000000 ]  - [   0.0027029700000000,  0.0000453900000000, -0.0002914600000000 ]  - [   0.0027029700000000, -0.0000453900000000, -0.0002914600000000 ]  - [  -0.0021021600000000, -0.0000530200000000,  0.0001746300000000 ]  - [  -0.0021021600000000,  0.0000530200000000,  0.0001746300000000 ]  - [  -0.0024232900000000, -0.0000058500000000,  0.0001726500000000 ]  - [  -0.0024232900000000,  0.0000058500000000,  0.0001726500000000 ]  - [  -0.0025928000000000, -0.0000106600000000,  0.0002065200000000 ]  - [  -0.0025928000000000,  0.0000106600000000,  0.0002065200000000 ]  - [  -0.0025926000000000,  0.0000028400000000,  0.0001884600000000 ]  - [  -0.0025926000000000, -0.0000028400000000,  0.0001884600000000 ]  - [  -0.0025917600000000,  0.0000101000000000,  0.0002950700000000 ]  - [  -0.0025917600000000, -0.0000101000000000,  0.0002950700000000 ]  - [  -0.0025920100000000, -0.0000164900000000,  0.0002486500000000 ]  - [  -0.0025920100000000,  0.0000164900000000,  0.0002486500000000 ]  - [   0.0040781300000000,  0.0000000000000000, -0.0010216900000000 ]  - [   0.0027433300000000, -0.0001744300000000, -0.0003685500000000 ]  - [   0.0026105000000000,  0.0000000000000000, -0.0002650900000000 ]  - [   0.0027433300000000,  0.0001744300000000, -0.0003685500000000 ]  - [   0.0025955300000000,  0.0000000000000000, -0.0002405800000000 ]  - [   0.0025887300000000,  0.0000022200000000, -0.0002285400000000 ]  - [   0.0025827300000000,  0.0000000000000000, -0.0002136900000000 ]  - [   0.0025887300000000, -0.0000022200000000, -0.0002285400000000 ]  - [   0.0024497300000000,  0.0000000000000000,  0.0004564300000000 ]  - [   0.0023845500000000, -0.0000769000000000, -0.0000059300000000 ]  - [   0.0024866100000000,  0.0000000000000000, -0.0001272300000000 ]  - [   0.0023845500000000,  0.0000769000000000, -0.0000059300000000 ]  - [  -0.0080444700000000,  0.0001483800000000, -0.0038135100000000 ]  - [  -0.0080444700000000, -0.0001483800000000, -0.0038135100000000 ]  - [  -0.0064597200000000,  0.0000017000000000, -0.0029663300000000 ]  - [  -0.0064597200000000, -0.0000017000000000, -0.0029663300000000 ]  - [  -0.0063854500000000,  0.0000026400000000, -0.0030151800000000 ]  - [  -0.0063854500000000, -0.0000026400000000, -0.0030151800000000 ]  - [  -0.0063955200000000, -0.0000039200000000, -0.0029917100000000 ]  - [  -0.0063955200000000,  0.0000039200000000, -0.0029917100000000 ]  - [  -0.0070299500000000, -0.0012773300000000, -0.0057147900000000 ]  - [  -0.0070299500000000,  0.0012773300000000, -0.0057147900000000 ]  - [  -0.0065094900000000,  0.0001649300000000, -0.0030811900000000 ]  - [  -0.0065094900000000, -0.0001649300000000, -0.0030811900000000 ]  - [   0.0128859100000000,  0.0000000000000000, -0.0000478200000000 ]  - [   0.0070278100000000,  0.0008830500000000,  0.0026717200000000 ]  - [   0.0063983700000000,  0.0000000000000000,  0.0029816600000000 ]  - [   0.0070278100000000, -0.0008830500000000,  0.0026717200000000 ]  - [   0.0063244100000000,  0.0000000000000000,  0.0033913400000000 ]  - [   0.0063003600000000, -0.0001229900000000,  0.0030368800000000 ]  - [   0.0063910200000000,  0.0000000000000000,  0.0029684900000000 ]  - [   0.0063003600000000,  0.0001229900000000,  0.0030368800000000 ]  - [   0.0064503800000000,  0.0000000000000000,  0.0029076100000000 ]  - [   0.0064293100000000,  0.0000165500000000,  0.0029276100000000 ]  - [   0.0064031100000000,  0.0000000000000000,  0.0029405400000000 ]  - [   0.0064293100000000, -0.0000165500000000,  0.0029276100000000 ]  - [  -0.0061145500000000,  0.0000000000000000, -0.0029204600000000 ]  - [  -0.0062698400000000, -0.0000382000000000, -0.0029356200000000 ]  - [  -0.0063486000000000,  0.0000000000000000, -0.0029490400000000 ]  - [  -0.0062698400000000,  0.0000382000000000, -0.0029356200000000 ]  - [  -0.0064279500000000,  0.0000000000000000, -0.0029548700000000 ]  - [  -0.0064186500000000,  0.0000132300000000, -0.0029661900000000 ]  - [  -0.0064045400000000,  0.0000000000000000, -0.0029690000000000 ]  - [  -0.0064186500000000, -0.0000132300000000, -0.0029661900000000 ]  - [  -0.0058637600000000,  0.0000000000000000, -0.0025024000000000 ]  - [  -0.0061218900000000, -0.0001921400000000, -0.0026806300000000 ]  - [  -0.0063049800000000,  0.0000000000000000, -0.0028837300000000 ]  - [  -0.0061218900000000,  0.0001921400000000, -0.0026806300000000 ]  - [   0.0097854300000000,  0.0016041000000000,  0.0044555700000000 ]  - [   0.0097854300000000, -0.0016041000000000,  0.0044555700000000 ]  - [   0.0063867800000000, -0.0002026800000000,  0.0030813500000000 ]  - [   0.0063867800000000,  0.0002026800000000,  0.0030813500000000 ]  - [   0.0064757000000000, -0.0000002300000000,  0.0030019200000000 ]  - [   0.0064757000000000,  0.0000002300000000,  0.0030019200000000 ]  - [   0.0064002800000000, -0.0000041400000000,  0.0029707300000000 ]  - [   0.0064002800000000,  0.0000041400000000,  0.0029707300000000 ]  - [   0.0062405600000000,  0.0000037600000000,  0.0029552400000000 ]  - [   0.0062405600000000, -0.0000037600000000,  0.0029552400000000 ]  - [   0.0063393500000000,  0.0000030900000000,  0.0029473400000000 ]  - [   0.0063393500000000, -0.0000030900000000,  0.0029473400000000 ]- atom:   49  displacement:    [  -0.0099999879521437,  0.0000000000000000,  0.0000155227890945 ]  forces:  - [  -0.0073520900000000,  0.0033953900000000,  0.0013909800000000 ]  - [  -0.0073520900000000, -0.0033953900000000,  0.0013909800000000 ]  - [  -0.0026212900000000,  0.0003669800000000,  0.0013827300000000 ]  - [  -0.0026212900000000, -0.0003669800000000,  0.0013827300000000 ]  - [  -0.0030967400000000, -0.0001973100000000,  0.0004522700000000 ]  - [  -0.0030967400000000,  0.0001973100000000,  0.0004522700000000 ]  - [  -0.0023426000000000, -0.0000014500000000,  0.0012952700000000 ]  - [  -0.0023426000000000,  0.0000014500000000,  0.0012952700000000 ]  - [  -0.0022020200000000, -0.0000302300000000,  0.0011512200000000 ]  - [  -0.0022020200000000,  0.0000302300000000,  0.0011512200000000 ]  - [  -0.0022621800000000,  0.0000156300000000,  0.0012583600000000 ]  - [  -0.0022621800000000, -0.0000156300000000,  0.0012583600000000 ]  - [  -0.0007743100000000,  0.0000000000000000, -0.0024213800000000 ]  - [   0.0015606000000000, -0.0000194500000000, -0.0008249100000000 ]  - [   0.0021653300000000,  0.0000000000000000, -0.0012795400000000 ]  - [   0.0015606000000000,  0.0000194500000000, -0.0008249100000000 ]  - [   0.0023741600000000,  0.0000000000000000, -0.0014088700000000 ]  - [   0.0023563500000000, -0.0000007000000000, -0.0013688700000000 ]  - [   0.0023306000000000,  0.0000000000000000, -0.0013443600000000 ]  - [   0.0023563500000000,  0.0000007000000000, -0.0013688700000000 ]  - [   0.0017872600000000,  0.0000000000000000, -0.0026835700000000 ]  - [   0.0022883400000000,  0.0003565300000000, -0.0017655200000000 ]  - [   0.0023956000000000,  0.0000000000000000, -0.0013979100000000 ]  - [   0.0022883400000000, -0.0003565300000000, -0.0017655200000000 ]  - [  -0.0013943100000000,  0.0000000000000000,  0.0016921900000000 ]  - [  -0.0011726500000000, -0.0011966200000000,  0.0012815800000000 ]  - [  -0.0020491200000000,  0.0000000000000000,  0.0013411000000000 ]  - [  -0.0011726500000000,  0.0011966200000000,  0.0012815800000000 ]  - [  -0.0020583900000000,  0.0000000000000000,  0.0015608000000000 ]  - [  -0.0021865400000000, -0.0000810800000000,  0.0014262100000000 ]  - [  -0.0022771700000000,  0.0000000000000000,  0.0013455100000000 ]  - [  -0.0021865400000000,  0.0000810800000000,  0.0014262100000000 ]  - [  -0.0024620500000000,  0.0000000000000000,  0.0014822000000000 ]  - [  -0.0024266300000000,  0.0000152700000000,  0.0014029500000000 ]  - [  -0.0023831000000000,  0.0000000000000000,  0.0013689600000000 ]  - [  -0.0024266300000000, -0.0000152700000000,  0.0014029500000000 ]  - [   0.0027072100000000,  0.0000376500000000, -0.0014990400000000 ]  - [   0.0027072100000000, -0.0000376500000000, -0.0014990400000000 ]  - [   0.0024645900000000,  0.0000244500000000, -0.0014182300000000 ]  - [   0.0024645900000000, -0.0000244500000000, -0.0014182300000000 ]  - [   0.0022224900000000,  0.0000039400000000, -0.0014348800000000 ]  - [   0.0022224900000000, -0.0000039400000000, -0.0014348800000000 ]  - [   0.0022852800000000, -0.0000028000000000, -0.0013659900000000 ]  - [   0.0022852800000000,  0.0000028000000000, -0.0013659900000000 ]  - [   0.0031048000000000, -0.0001654600000000,  0.0000015100000000 ]  - [   0.0031048000000000,  0.0001654600000000,  0.0000015100000000 ]  - [   0.0023368600000000, -0.0000515000000000, -0.0011446200000000 ]  - [   0.0023368600000000,  0.0000515000000000, -0.0011446200000000 ]  - [   0.0239183800000000,  0.0000000000000000, -0.0014206800000000 ]  - [  -0.0013535700000000, -0.0000112100000000,  0.0000555100000000 ]  - [  -0.0024308800000000,  0.0000000000000000,  0.0001193200000000 ]  - [  -0.0013535700000000,  0.0000112100000000,  0.0000555100000000 ]  - [  -0.0026388000000000,  0.0000000000000000,  0.0003573500000000 ]  - [  -0.0026202700000000,  0.0000805900000000,  0.0003038200000000 ]  - [  -0.0025910500000000,  0.0000000000000000,  0.0002208400000000 ]  - [  -0.0026202700000000, -0.0000805900000000,  0.0003038200000000 ]  - [  -0.0026389700000000,  0.0000000000000000,  0.0004466400000000 ]  - [  -0.0026201900000000, -0.0000720400000000,  0.0003472600000000 ]  - [  -0.0025907500000000,  0.0000000000000000,  0.0002660700000000 ]  - [  -0.0026201900000000,  0.0000720400000000,  0.0003472600000000 ]  - [   0.0007353600000000,  0.0020962600000000, -0.0024657200000000 ]  - [   0.0007353600000000, -0.0020962600000000, -0.0024657200000000 ]  - [   0.0026083200000000, -0.0001145600000000, -0.0003436300000000 ]  - [   0.0026083200000000,  0.0001145600000000, -0.0003436300000000 ]  - [   0.0025852300000000, -0.0000091000000000, -0.0001376800000000 ]  - [   0.0025852300000000,  0.0000091000000000, -0.0001376800000000 ]  - [   0.0025790400000000,  0.0000084700000000, -0.0001680900000000 ]  - [   0.0025790400000000, -0.0000084700000000, -0.0001680900000000 ]  - [   0.0023101500000000,  0.0001384100000000,  0.0000746300000000 ]  - [   0.0023101500000000, -0.0001384100000000,  0.0000746300000000 ]  - [   0.0024606200000000, -0.0000464000000000, -0.0000994600000000 ]  - [   0.0024606200000000,  0.0000464000000000, -0.0000994600000000 ]  - [  -0.0030630700000000,  0.0000508700000000,  0.0002180000000000 ]  - [  -0.0030630700000000, -0.0000508700000000,  0.0002180000000000 ]  - [  -0.0027422600000000,  0.0000072800000000,  0.0002183900000000 ]  - [  -0.0027422600000000, -0.0000072800000000,  0.0002183900000000 ]  - [  -0.0025709900000000,  0.0000100200000000,  0.0001832100000000 ]  - [  -0.0025709900000000, -0.0000100200000000,  0.0001832100000000 ]  - [  -0.0025703800000000, -0.0000032600000000,  0.0002007700000000 ]  - [  -0.0025703800000000,  0.0000032600000000,  0.0002007700000000 ]  - [  -0.0025701300000000, -0.0000115400000000,  0.0000903900000000 ]  - [  -0.0025701300000000,  0.0000115400000000,  0.0000903900000000 ]  - [  -0.0025699200000000,  0.0000158800000000,  0.0001373700000000 ]  - [  -0.0025699200000000, -0.0000158800000000,  0.0001373700000000 ]  - [   0.0010680100000000,  0.0000000000000000,  0.0006479500000000 ]  - [   0.0024199300000000,  0.0001757500000000, -0.0000159100000000 ]  - [   0.0025527900000000,  0.0000000000000000, -0.0001217800000000 ]  - [   0.0024199300000000, -0.0001757500000000, -0.0000159100000000 ]  - [   0.0025677500000000,  0.0000000000000000, -0.0001485200000000 ]  - [   0.0025744400000000, -0.0000022000000000, -0.0001617200000000 ]  - [   0.0025805500000000,  0.0000000000000000, -0.0001757200000000 ]  - [   0.0025744400000000,  0.0000022000000000, -0.0001617200000000 ]  - [   0.0027139600000000,  0.0000000000000000, -0.0008513500000000 ]  - [   0.0027787800000000,  0.0000777800000000, -0.0003870600000000 ]  - [   0.0026770600000000,  0.0000000000000000, -0.0002640400000000 ]  - [   0.0027787800000000, -0.0000777800000000, -0.0003870600000000 ]  - [  -0.0047057100000000, -0.0001359000000000, -0.0021082800000000 ]  - [  -0.0047057100000000,  0.0001359000000000, -0.0021082800000000 ]  - [  -0.0063006600000000, -0.0000022800000000, -0.0029443100000000 ]  - [  -0.0063006600000000,  0.0000022800000000, -0.0029443100000000 ]  - [  -0.0063994600000000, -0.0000026900000000, -0.0029190100000000 ]  - [  -0.0063994600000000,  0.0000026900000000, -0.0029190100000000 ]  - [  -0.0063893300000000,  0.0000041800000000, -0.0029419800000000 ]  - [  -0.0063893300000000, -0.0000041800000000, -0.0029419800000000 ]  - [  -0.0057567600000000,  0.0012733600000000, -0.0002531500000000 ]  - [  -0.0057567600000000, -0.0012733600000000, -0.0002531500000000 ]  - [  -0.0062661700000000, -0.0001648700000000, -0.0028877700000000 ]  - [  -0.0062661700000000,  0.0001648700000000, -0.0028877700000000 ]  - [  -0.0000018600000000,  0.0000000000000000,  0.0059577000000000 ]  - [   0.0057475900000000, -0.0008850100000000,  0.0032968600000000 ]  - [   0.0063797200000000,  0.0000000000000000,  0.0029884900000000 ]  - [   0.0057475900000000,  0.0008850100000000,  0.0032968600000000 ]  - [   0.0064574400000000,  0.0000000000000000,  0.0025342400000000 ]  - [   0.0064835400000000,  0.0001216000000000,  0.0028971300000000 ]  - [   0.0063938400000000,  0.0000000000000000,  0.0029654700000000 ]  - [   0.0064835400000000, -0.0001216000000000,  0.0028971300000000 ]  - [   0.0063104500000000,  0.0000000000000000,  0.0030028700000000 ]  - [   0.0063318000000000, -0.0000161900000000,  0.0029832300000000 ]  - [   0.0063576900000000,  0.0000000000000000,  0.0029703300000000 ]  - [   0.0063318000000000,  0.0000161900000000,  0.0029832300000000 ]  - [  -0.0066456800000000,  0.0000000000000000, -0.0029895000000000 ]  - [  -0.0064911900000000,  0.0000388700000000, -0.0029751200000000 ]  - [  -0.0064124700000000,  0.0000000000000000, -0.0029615900000000 ]  - [  -0.0064911900000000, -0.0000388700000000, -0.0029751200000000 ]  - [  -0.0063581000000000,  0.0000000000000000, -0.0029794700000000 ]  - [  -0.0063666500000000, -0.0000131600000000, -0.0029679900000000 ]  - [  -0.0063805900000000,  0.0000000000000000, -0.0029648600000000 ]  - [  -0.0063666500000000,  0.0000131600000000, -0.0029679900000000 ]  - [  -0.0069138100000000,  0.0000000000000000, -0.0034689500000000 ]  - [  -0.0066569400000000,  0.0001942200000000, -0.0032898200000000 ]  - [  -0.0064721600000000,  0.0000000000000000, -0.0030860100000000 ]  - [  -0.0066569400000000, -0.0001942200000000, -0.0032898200000000 ]  - [   0.0029308200000000, -0.0016532800000000,  0.0014858100000000 ]  - [   0.0029308200000000,  0.0016532800000000,  0.0014858100000000 ]  - [   0.0063897400000000,  0.0002035300000000,  0.0028884900000000 ]  - [   0.0063897400000000, -0.0002035300000000,  0.0028884900000000 ]  - [   0.0063094200000000,  0.0000005300000000,  0.0029330200000000 ]  - [   0.0063094200000000, -0.0000005300000000,  0.0029330200000000 ]  - [   0.0063847100000000,  0.0000047800000000,  0.0029632000000000 ]  - [   0.0063847100000000, -0.0000047800000000,  0.0029632000000000 ]  - [   0.0065202600000000, -0.0000037300000000,  0.0029552800000000 ]  - [   0.0065202600000000,  0.0000037300000000,  0.0029552800000000 ]  - [   0.0064216400000000, -0.0000027500000000,  0.0029633500000000 ]  - [   0.0064216400000000,  0.0000027500000000,  0.0029633500000000 ]- atom:   49  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0050048300000000,  0.0059688600000000,  0.0012443200000000 ]  - [   0.0005955500000000,  0.0061499000000000,  0.0013120200000000 ]  - [  -0.0028678500000000, -0.0007007100000000,  0.0015489100000000 ]  - [  -0.0017680000000000, -0.0006969600000000,  0.0011004000000000 ]  - [  -0.0012940200000000,  0.0002755700000000,  0.0024311300000000 ]  - [  -0.0033329400000000,  0.0002771800000000,  0.0002179200000000 ]  - [  -0.0023952800000000, -0.0002640900000000,  0.0011395300000000 ]  - [  -0.0022334000000000, -0.0002641400000000,  0.0015048800000000 ]  - [  -0.0022523500000000,  0.0001023800000000,  0.0013149400000000 ]  - [  -0.0023886700000000,  0.0001023100000000,  0.0013861400000000 ]  - [  -0.0023743300000000, -0.0001031600000000,  0.0014054200000000 ]  - [  -0.0022660200000000, -0.0001037600000000,  0.0012950300000000 ]  - [   0.0023146900000000,  0.0020650300000000, -0.0013516200000000 ]  - [   0.0024380500000000, -0.0006806900000000, -0.0023734200000000 ]  - [   0.0023202700000000, -0.0004880500000000, -0.0013502000000000 ]  - [   0.0022041200000000, -0.0006784800000000, -0.0003415300000000 ]  - [   0.0023140400000000,  0.0001451100000000, -0.0013233800000000 ]  - [   0.0023747700000000, -0.0000213400000000, -0.0013619900000000 ]  - [   0.0023138500000000, -0.0001026900000000, -0.0013234800000000 ]  - [   0.0022531500000000, -0.0000218500000000, -0.0012851500000000 ]  - [   0.0023100300000000,  0.0016961700000000, -0.0013239900000000 ]  - [   0.0019057400000000, -0.0008372400000000, -0.0012190600000000 ]  - [   0.0023126100000000, -0.0004945300000000, -0.0013229500000000 ]  - [   0.0027211500000000, -0.0008363500000000, -0.0014294400000000 ]  - [  -0.0023130900000000,  0.0014630700000000,  0.0013234700000000 ]  - [  -0.0019137700000000, -0.0005601900000000,  0.0013197600000000 ]  - [  -0.0023138200000000, -0.0004605800000000,  0.0013234100000000 ]  - [  -0.0027188800000000, -0.0005667900000000,  0.0013272700000000 ]  - [  -0.0023133000000000,  0.0002841400000000,  0.0013227800000000 ]  - [  -0.0023382100000000, -0.0000597000000000,  0.0012675500000000 ]  - [  -0.0023133300000000, -0.0001601100000000,  0.0013229000000000 ]  - [  -0.0022912500000000, -0.0000600700000000,  0.0013792200000000 ]  - [  -0.0023189500000000,  0.0002082500000000,  0.0013498500000000 ]  - [  -0.0023450700000000, -0.0000435500000000,  0.0013731200000000 ]  - [  -0.0023197700000000, -0.0001213600000000,  0.0013499500000000 ]  - [  -0.0022945000000000, -0.0000434200000000,  0.0013263000000000 ]  - [   0.0022444100000000,  0.0001847100000000, -0.0013582400000000 ]  - [   0.0023950500000000,  0.0001851100000000, -0.0013418800000000 ]  - [   0.0023385200000000, -0.0001834700000000, -0.0013905300000000 ]  - [   0.0023012900000000, -0.0001833500000000, -0.0013093500000000 ]  - [   0.0021902300000000,  0.0000762500000000, -0.0014623900000000 ]  - [   0.0024384700000000,  0.0000763000000000, -0.0011835200000000 ]  - [   0.0023451300000000, -0.0000773200000000, -0.0012970800000000 ]  - [   0.0022832300000000, -0.0000775500000000, -0.0013495300000000 ]  - [   0.0018377600000000,  0.0001945300000000, -0.0021208600000000 ]  - [   0.0027884000000000,  0.0001919900000000, -0.0005279800000000 ]  - [   0.0024282000000000, -0.0001839900000000, -0.0012145000000000 ]  - [   0.0022004100000000, -0.0001852100000000, -0.0014307000000000 ]  - [  -0.0027813000000000, -0.0256519000000000,  0.0002974200000000 ]  - [  -0.0025847800000000,  0.0047804500000000,  0.0001838600000000 ]  - [  -0.0025818600000000,  0.0003569400000000,  0.0001960900000000 ]  - [  -0.0025793400000000,  0.0047149100000000,  0.0002074100000000 ]  - [  -0.0025808800000000, -0.0002589200000000,  0.0001949500000000 ]  - [  -0.0026537000000000,  0.0000868700000000,  0.0003451800000000 ]  - [  -0.0025812800000000,  0.0000962400000000,  0.0001948300000000 ]  - [  -0.0025087500000000,  0.0000871600000000,  0.0000448900000000 ]  - [  -0.0025803900000000, -0.0002586300000000,  0.0001921400000000 ]  - [  -0.0025002200000000,  0.0000874400000000,  0.0000021700000000 ]  - [  -0.0025807800000000,  0.0000957300000000,  0.0001924600000000 ]  - [  -0.0026607400000000,  0.0000868800000000,  0.0003836000000000 ]  - [   0.0004781600000000,  0.0004069100000000, -0.0017461600000000 ]  - [   0.0046928300000000,  0.0003967800000000,  0.0013687200000000 ]  - [   0.0026967500000000,  0.0002492400000000, -0.0001262800000000 ]  - [   0.0024670700000000,  0.0002473600000000, -0.0002593500000000 ]  - [   0.0025904100000000, -0.0000559600000000, -0.0002569600000000 ]  - [   0.0025716500000000, -0.0000567000000000, -0.0001326800000000 ]  - [   0.0025722800000000,  0.0000594000000000, -0.0001522300000000 ]  - [   0.0025899900000000,  0.0000601000000000, -0.0002372700000000 ]  - [   0.0024421200000000, -0.0001022700000000, -0.0001432800000000 ]  - [   0.0027218300000000, -0.0001011100000000, -0.0002484600000000 ]  - [   0.0026279700000000,  0.0000964900000000, -0.0002502200000000 ]  - [   0.0025359500000000,  0.0000980400000000, -0.0001414100000000 ]  - [  -0.0025302200000000, -0.0000714600000000,  0.0001877000000000 ]  - [  -0.0026336000000000, -0.0000717200000000,  0.0002040700000000 ]  - [  -0.0025752500000000,  0.0000734300000000,  0.0002087500000000 ]  - [  -0.0025887500000000,  0.0000721500000000,  0.0001820300000000 ]  - [  -0.0025921900000000, -0.0000511800000000,  0.0001827900000000 ]  - [  -0.0025701200000000, -0.0000501600000000,  0.0002064300000000 ]  - [  -0.0025643900000000,  0.0000505600000000,  0.0002063700000000 ]  - [  -0.0025971600000000,  0.0000515900000000,  0.0001828600000000 ]  - [  -0.0025700300000000, -0.0000516300000000,  0.0002370200000000 ]  - [  -0.0025914700000000, -0.0000508900000000,  0.0001499800000000 ]  - [  -0.0025841000000000,  0.0000512500000000,  0.0001678000000000 ]  - [  -0.0025773600000000,  0.0000521000000000,  0.0002186800000000 ]  - [   0.0025842400000000, -0.0004070000000000, -0.0001944800000000 ]  - [   0.0024059300000000,  0.0001017600000000, -0.0001233800000000 ]  - [   0.0025811900000000,  0.0001122500000000, -0.0001939300000000 ]  - [   0.0027562700000000,  0.0001022900000000, -0.0002622600000000 ]  - [   0.0025812800000000, -0.0000766300000000, -0.0001947500000000 ]  - [   0.0025829300000000,  0.0000147800000000, -0.0001871900000000 ]  - [   0.0025811800000000,  0.0000468200000000, -0.0001948000000000 ]  - [   0.0025793700000000,  0.0000146300000000, -0.0002037600000000 ]  - [   0.0025810000000000, -0.0003629600000000, -0.0001943900000000 ]  - [   0.0025033000000000,  0.0001000000000000, -0.0003056000000000 ]  - [   0.0025812800000000,  0.0001106900000000, -0.0001956400000000 ]  - [   0.0026580500000000,  0.0001002500000000, -0.0000863000000000 ]  - [  -0.0067918500000000,  0.0005003300000000, -0.0056960600000000 ]  - [  -0.0059758100000000,  0.0004922800000000, -0.0001920100000000 ]  - [  -0.0064259300000000,  0.0004125500000000, -0.0028669200000000 ]  - [  -0.0063364200000000,  0.0004110600000000, -0.0030432700000000 ]  - [  -0.0064020700000000, -0.0000478200000000, -0.0029714300000000 ]  - [  -0.0063829800000000, -0.0000478300000000, -0.0029624700000000 ]  - [  -0.0063902900000000,  0.0000479400000000, -0.0029748200000000 ]  - [  -0.0063948600000000,  0.0000481000000000, -0.0029589700000000 ]  - [  -0.0076142300000000,  0.0006723800000000, -0.0002145500000000 ]  - [  -0.0051510500000000,  0.0006731800000000, -0.0057750100000000 ]  - [  -0.0064226100000000,  0.0003629900000000, -0.0030397400000000 ]  - [  -0.0063542500000000,  0.0003625300000000, -0.0029307300000000 ]  - [   0.0063825500000000, -0.0028109100000000,  0.0029887900000000 ]  - [   0.0070370200000000,  0.0006013400000000,  0.0028207300000000 ]  - [   0.0063896000000000,  0.0003596600000000,  0.0029850800000000 ]  - [   0.0057458400000000,  0.0006057400000000,  0.0031471200000000 ]  - [   0.0063916700000000, -0.0004302200000000,  0.0029637100000000 ]  - [   0.0065792400000000,  0.0001560700000000,  0.0032409900000000 ]  - [   0.0063930700000000,  0.0002207800000000,  0.0029671000000000 ]  - [   0.0062066100000000,  0.0001581100000000,  0.0026960400000000 ]  - [   0.0063807500000000, -0.0000740000000000,  0.0029553300000000 ]  - [   0.0063677200000000,  0.0000006900000000,  0.0029518500000000 ]  - [   0.0063805700000000,  0.0000728800000000,  0.0029554000000000 ]  - [   0.0063938100000000,  0.0000008000000000,  0.0029588200000000 ]  - [  -0.0063807000000000, -0.0000795800000000, -0.0029556300000000 ]  - [  -0.0063120800000000, -0.0000185200000000, -0.0029437200000000 ]  - [  -0.0063807500000000,  0.0001063900000000, -0.0029555300000000 ]  - [  -0.0064490100000000, -0.0000182700000000, -0.0029670800000000 ]  - [  -0.0063930300000000, -0.0001047100000000, -0.0029669200000000 ]  - [  -0.0063708900000000,  0.0000191300000000, -0.0029774400000000 ]  - [  -0.0063925100000000,  0.0000662900000000, -0.0029669200000000 ]  - [  -0.0064143500000000,  0.0000191100000000, -0.0029565900000000 ]  - [  -0.0063880500000000, -0.0003314100000000, -0.0029851300000000 ]  - [  -0.0064677000000000,  0.0000927400000000, -0.0030545500000000 ]  - [  -0.0063884700000000,  0.0001586700000000, -0.0029848000000000 ]  - [  -0.0063096000000000,  0.0000932300000000, -0.0029140900000000 ]  - [   0.0083935400000000,  0.0005568700000000,  0.0038659600000000 ]  - [   0.0043680100000000,  0.0005641500000000,  0.0020978300000000 ]  - [   0.0063101800000000,  0.0001769500000000,  0.0029221800000000 ]  - [   0.0064657500000000,  0.0001788200000000,  0.0030476500000000 ]  - [   0.0064762600000000, -0.0000756500000000,  0.0030660400000000 ]  - [   0.0063091200000000, -0.0000758400000000,  0.0028678000000000 ]  - [   0.0063811200000000,  0.0000756800000000,  0.0029640600000000 ]  - [   0.0064040100000000,  0.0000758100000000,  0.0029696600000000 ]  - [   0.0065133000000000, -0.0000626500000000,  0.0029553400000000 ]  - [   0.0062469900000000, -0.0000629200000000,  0.0029554500000000 ]  - [   0.0063545000000000,  0.0000643600000000,  0.0029472300000000 ]  - [   0.0064064000000000,  0.0000642200000000,  0.0029633600000000 ]- atom:   49  displacement:    [  -0.0029340404841557,  0.0000000000000000,  0.0095598852732308 ]  forces:  - [  -0.0049896800000000,  0.0021811300000000,  0.0033906900000000 ]  - [  -0.0049896800000000, -0.0021811300000000,  0.0033906900000000 ]  - [  -0.0025503700000000,  0.0002983000000000,  0.0017342500000000 ]  - [  -0.0025503700000000, -0.0002983000000000,  0.0017342500000000 ]  - [  -0.0032889800000000,  0.0003565000000000, -0.0003589900000000 ]  - [  -0.0032889800000000, -0.0003565000000000, -0.0003589900000000 ]  - [  -0.0021845600000000, -0.0002134100000000,  0.0011805700000000 ]  - [  -0.0021845600000000,  0.0002134100000000,  0.0011805700000000 ]  - [  -0.0022080000000000, -0.0000371900000000,  0.0008641700000000 ]  - [  -0.0022080000000000,  0.0000371900000000,  0.0008641700000000 ]  - [  -0.0022853700000000,  0.0000395700000000,  0.0010312800000000 ]  - [  -0.0022853700000000, -0.0000395700000000,  0.0010312800000000 ]  - [   0.0049160500000000,  0.0000000000000000,  0.0031811300000000 ]  - [   0.0016199100000000, -0.0011627600000000, -0.0012123400000000 ]  - [   0.0018455200000000,  0.0000000000000000, -0.0011778400000000 ]  - [   0.0016199100000000,  0.0011627600000000, -0.0012123400000000 ]  - [   0.0024007100000000,  0.0000000000000000, -0.0017903100000000 ]  - [   0.0023601400000000, -0.0000330700000000, -0.0016966500000000 ]  - [   0.0023182700000000,  0.0000000000000000, -0.0015844900000000 ]  - [   0.0023601400000000,  0.0000330700000000, -0.0016966500000000 ]  - [   0.0032087800000000,  0.0000000000000000, -0.0016247600000000 ]  - [   0.0035000300000000,  0.0014668800000000, -0.0011322900000000 ]  - [   0.0026501500000000,  0.0000000000000000, -0.0012684800000000 ]  - [   0.0035000300000000, -0.0014668800000000, -0.0011322900000000 ]  - [  -0.0023711100000000,  0.0000000000000000,  0.0015075700000000 ]  - [  -0.0024295500000000,  0.0002242600000000,  0.0014060500000000 ]  - [  -0.0023093900000000,  0.0000000000000000,  0.0014631200000000 ]  - [  -0.0024295500000000, -0.0002242600000000,  0.0014060500000000 ]  - [  -0.0019986300000000,  0.0000000000000000,  0.0014840700000000 ]  - [  -0.0020906900000000, -0.0002052500000000,  0.0014305200000000 ]  - [  -0.0021721900000000,  0.0000000000000000,  0.0013801300000000 ]  - [  -0.0020906900000000,  0.0002052500000000,  0.0014305200000000 ]  - [  -0.0026081200000000,  0.0000000000000000,  0.0009863300000000 ]  - [  -0.0025100000000000,  0.0000806900000000,  0.0011011300000000 ]  - [  -0.0024385100000000,  0.0000000000000000,  0.0011525200000000 ]  - [  -0.0025100000000000, -0.0000806900000000,  0.0011011300000000 ]  - [   0.0024867100000000,  0.0001437600000000, -0.0012284400000000 ]  - [   0.0024867100000000, -0.0001437600000000, -0.0012284400000000 ]  - [   0.0023297400000000, -0.0000865300000000, -0.0012441000000000 ]  - [   0.0023297400000000,  0.0000865300000000, -0.0012441000000000 ]  - [   0.0020727300000000,  0.0000123900000000, -0.0017847000000000 ]  - [   0.0020727300000000, -0.0000123900000000, -0.0017847000000000 ]  - [   0.0022227700000000, -0.0000129700000000, -0.0015673800000000 ]  - [   0.0022227700000000,  0.0000129700000000, -0.0015673800000000 ]  - [   0.0026186100000000, -0.0001276200000000, -0.0008002100000000 ]  - [   0.0026186100000000,  0.0001276200000000, -0.0008002100000000 ]  - [   0.0023921600000000,  0.0000617000000000, -0.0011912900000000 ]  - [   0.0023921600000000, -0.0000617000000000, -0.0011912900000000 ]  - [   0.0066937600000000,  0.0000000000000000, -0.0216485700000000 ]  - [  -0.0020898500000000,  0.0000012500000000, -0.0011526900000000 ]  - [  -0.0024653900000000,  0.0000000000000000, -0.0002080200000000 ]  - [  -0.0020898500000000, -0.0000012500000000, -0.0011526900000000 ]  - [  -0.0028403700000000,  0.0000000000000000,  0.0007443000000000 ]  - [  -0.0027396700000000,  0.0002063200000000,  0.0006019300000000 ]  - [  -0.0026541100000000,  0.0000000000000000,  0.0003862500000000 ]  - [  -0.0027396700000000, -0.0002063200000000,  0.0006019300000000 ]  - [  -0.0027532900000000,  0.0000000000000000,  0.0007664500000000 ]  - [  -0.0026964600000000, -0.0001637700000000,  0.0006115600000000 ]  - [  -0.0026095000000000,  0.0000000000000000,  0.0003977200000000 ]  - [  -0.0026964600000000,  0.0001637700000000,  0.0006115600000000 ]  - [   0.0042204400000000, -0.0008691900000000, -0.0007526700000000 ]  - [   0.0042204400000000,  0.0008691900000000, -0.0007526700000000 ]  - [   0.0027329100000000,  0.0000299500000000, -0.0005933200000000 ]  - [   0.0027329100000000, -0.0000299500000000, -0.0005933200000000 ]  - [   0.0025282300000000, -0.0000615500000000,  0.0001857700000000 ]  - [   0.0025282300000000,  0.0000615500000000,  0.0001857700000000 ]  - [   0.0025551000000000,  0.0000429300000000,  0.0000299800000000 ]  - [   0.0025551000000000, -0.0000429300000000,  0.0000299800000000 ]  - [   0.0022450100000000,  0.0000902600000000,  0.0001029300000000 ]  - [   0.0022450100000000, -0.0000902600000000,  0.0001029300000000 ]  - [   0.0024554900000000, -0.0000656000000000, -0.0000348600000000 ]  - [   0.0024554900000000,  0.0000656000000000, -0.0000348600000000 ]  - [  -0.0027442100000000,  0.0000231300000000, -0.0000849200000000 ]  - [  -0.0027442100000000, -0.0000231300000000, -0.0000849200000000 ]  - [  -0.0026513700000000, -0.0000101900000000, -0.0000077700000000 ]  - [  -0.0026513700000000,  0.0000101900000000, -0.0000077700000000 ]  - [  -0.0024802600000000, -0.0000387900000000,  0.0003309900000000 ]  - [  -0.0024802600000000,  0.0000387900000000,  0.0003309900000000 ]  - [  -0.0025245900000000,  0.0000234100000000,  0.0003017900000000 ]  - [  -0.0025245900000000, -0.0000234100000000,  0.0003017900000000 ]  - [  -0.0025669800000000,  0.0000072300000000,  0.0003031000000000 ]  - [  -0.0025669800000000, -0.0000072300000000,  0.0003031000000000 ]  - [  -0.0025838900000000, -0.0000069500000000,  0.0002824800000000 ]  - [  -0.0025838900000000,  0.0000069500000000,  0.0002824800000000 ]  - [   0.0013374700000000,  0.0000000000000000, -0.0002445800000000 ]  - [   0.0023646300000000,  0.0001183100000000, -0.0004935400000000 ]  - [   0.0025040300000000,  0.0000000000000000, -0.0003918400000000 ]  - [   0.0023646300000000, -0.0001183100000000, -0.0004935400000000 ]  - [   0.0025334900000000,  0.0000000000000000,  0.0000377100000000 ]  - [   0.0025475200000000,  0.0000073400000000, -0.0000142600000000 ]  - [   0.0025631100000000,  0.0000000000000000, -0.0000619100000000 ]  - [   0.0025475200000000, -0.0000073400000000, -0.0000142600000000 ]  - [   0.0032441600000000,  0.0000000000000000,  0.0003699900000000 ]  - [   0.0028210600000000, -0.0000824000000000, -0.0001313900000000 ]  - [   0.0026751400000000,  0.0000000000000000, -0.0001295200000000 ]  - [   0.0028210600000000,  0.0000824000000000, -0.0001313900000000 ]  - [  -0.0065754900000000, -0.0033790700000000,  0.0012696700000000 ]  - [  -0.0065754900000000,  0.0033790700000000,  0.0012696700000000 ]  - [  -0.0064349500000000,  0.0003131400000000, -0.0028874700000000 ]  - [  -0.0064349500000000, -0.0003131400000000, -0.0028874700000000 ]  - [  -0.0063574600000000, -0.0000109200000000, -0.0028157800000000 ]  - [  -0.0063574600000000,  0.0000109200000000, -0.0028157800000000 ]  - [  -0.0063493300000000,  0.0000138700000000, -0.0028593900000000 ]  - [  -0.0063493300000000, -0.0000138700000000, -0.0028593900000000 ]  - [  -0.0082406400000000,  0.0030473800000000,  0.0001559200000000 ]  - [  -0.0082406400000000, -0.0030473800000000,  0.0001559200000000 ]  - [  -0.0062985700000000, -0.0003101300000000, -0.0030849900000000 ]  - [  -0.0062985700000000,  0.0003101300000000, -0.0030849900000000 ]  - [   0.0015516700000000,  0.0000000000000000,  0.0033812600000000 ]  - [   0.0057841700000000, -0.0006355200000000,  0.0028737600000000 ]  - [   0.0062994000000000,  0.0000000000000000,  0.0028465400000000 ]  - [   0.0057841700000000,  0.0006355200000000,  0.0028737600000000 ]  - [   0.0067551000000000,  0.0000000000000000,  0.0040058500000000 ]  - [   0.0067217300000000,  0.0004401500000000,  0.0031635300000000 ]  - [   0.0064927700000000,  0.0000000000000000,  0.0030430100000000 ]  - [   0.0067217300000000, -0.0004401500000000,  0.0031635300000000 ]  - [   0.0063854700000000,  0.0000000000000000,  0.0031073700000000 ]  - [   0.0064025100000000, -0.0000194600000000,  0.0030843900000000 ]  - [   0.0064143800000000,  0.0000000000000000,  0.0030515500000000 ]  - [   0.0064025100000000,  0.0000194600000000,  0.0030843900000000 ]  - [  -0.0065161500000000,  0.0000000000000000, -0.0029714300000000 ]  - [  -0.0064863100000000,  0.0000503600000000, -0.0029854000000000 ]  - [  -0.0064531400000000,  0.0000000000000000, -0.0029871500000000 ]  - [  -0.0064863100000000, -0.0000503600000000, -0.0029854000000000 ]  - [  -0.0061679400000000,  0.0000000000000000, -0.0028497700000000 ]  - [  -0.0062556100000000, -0.0000250200000000, -0.0028777500000000 ]  - [  -0.0063121500000000,  0.0000000000000000, -0.0028897400000000 ]  - [  -0.0062556100000000,  0.0000250200000000, -0.0028777500000000 ]  - [  -0.0065266400000000,  0.0000000000000000, -0.0030708700000000 ]  - [  -0.0064505800000000,  0.0000210100000000, -0.0029950100000000 ]  - [  -0.0064091500000000,  0.0000000000000000, -0.0030315600000000 ]  - [  -0.0064505800000000, -0.0000210100000000, -0.0029950100000000 ]  - [   0.0064675200000000,  0.0001887000000000,  0.0031183000000000 ]  - [   0.0064675200000000, -0.0001887000000000,  0.0031183000000000 ]  - [   0.0063045300000000, -0.0000262000000000,  0.0029579800000000 ]  - [   0.0063045300000000,  0.0000262000000000,  0.0029579800000000 ]  - [   0.0062235900000000, -0.0000471000000000,  0.0027882100000000 ]  - [   0.0062235900000000,  0.0000471000000000,  0.0027882100000000 ]  - [   0.0063696200000000,  0.0000439300000000,  0.0029213800000000 ]  - [   0.0063696200000000, -0.0000439300000000,  0.0029213800000000 ]  - [   0.0066514100000000,  0.0000279600000000,  0.0030455500000000 ]  - [   0.0066514100000000, -0.0000279600000000,  0.0030455500000000 ]  - [   0.0064733200000000, -0.0000192600000000,  0.0030387300000000 ]  - [   0.0064733200000000,  0.0000192600000000,  0.0030387300000000 ]- atom:   49  displacement:    [   0.0029340404841557,  0.0000000000000000, -0.0095598852732308 ]  forces:  - [   0.0004638200000000, -0.0022763200000000, -0.0007643000000000 ]  - [   0.0004638200000000,  0.0022763200000000, -0.0007643000000000 ]  - [  -0.0020784800000000, -0.0002976400000000,  0.0009099500000000 ]  - [  -0.0020784800000000,  0.0002976400000000,  0.0009099500000000 ]  - [  -0.0013413900000000, -0.0003573700000000,  0.0029935300000000 ]  - [  -0.0013413900000000,  0.0003573700000000,  0.0029935300000000 ]  - [  -0.0024428100000000,  0.0002131200000000,  0.0014630000000000 ]  - [  -0.0024428100000000, -0.0002131200000000,  0.0014630000000000 ]  - [  -0.0024336600000000,  0.0000375400000000,  0.0018347700000000 ]  - [  -0.0024336600000000, -0.0000375400000000,  0.0018347700000000 ]  - [  -0.0023537500000000, -0.0000393200000000,  0.0016656000000000 ]  - [  -0.0023537500000000,  0.0000393200000000,  0.0016656000000000 ]  - [  -0.0001508100000000,  0.0000000000000000, -0.0055490600000000 ]  - [   0.0030094100000000,  0.0011544600000000, -0.0014814000000000 ]  - [   0.0027892700000000,  0.0000000000000000, -0.0015180700000000 ]  - [   0.0030094100000000, -0.0011544600000000, -0.0014814000000000 ]  - [   0.0022257400000000,  0.0000000000000000, -0.0008556300000000 ]  - [   0.0022674100000000,  0.0000330900000000, -0.0009507400000000 ]  - [   0.0023059100000000,  0.0000000000000000, -0.0010585700000000 ]  - [   0.0022674100000000, -0.0000330900000000, -0.0009507400000000 ]  - [   0.0014087900000000,  0.0000000000000000, -0.0010156500000000 ]  - [   0.0011215600000000, -0.0014734900000000, -0.0015155900000000 ]  - [   0.0019730500000000,  0.0000000000000000, -0.0013749800000000 ]  - [   0.0011215600000000,  0.0014734900000000, -0.0015155900000000 ]  - [  -0.0022587900000000,  0.0000000000000000,  0.0011353400000000 ]  - [  -0.0022008600000000, -0.0002157100000000,  0.0012350900000000 ]  - [  -0.0023222600000000,  0.0000000000000000,  0.0011843400000000 ]  - [  -0.0022008600000000,  0.0002157100000000,  0.0012350900000000 ]  - [  -0.0026212000000000,  0.0000000000000000,  0.0011560100000000 ]  - [  -0.0025376100000000,  0.0002037300000000,  0.0012168500000000 ]  - [  -0.0024516100000000,  0.0000000000000000,  0.0012629400000000 ]  - [  -0.0025376100000000, -0.0002037300000000,  0.0012168500000000 ]  - [  -0.0020282300000000,  0.0000000000000000,  0.0017097800000000 ]  - [  -0.0021302300000000, -0.0000811200000000,  0.0015972700000000 ]  - [  -0.0021984400000000,  0.0000000000000000,  0.0015420700000000 ]  - [  -0.0021302300000000,  0.0000811200000000,  0.0015972700000000 ]  - [   0.0021499700000000, -0.0001429000000000, -0.0014624600000000 ]  - [   0.0021499700000000,  0.0001429000000000, -0.0014624600000000 ]  - [   0.0023065500000000,  0.0000858100000000, -0.0014477600000000 ]  - [   0.0023065500000000, -0.0000858100000000, -0.0014477600000000 ]  - [   0.0025551600000000, -0.0000123400000000, -0.0008602700000000 ]  - [   0.0025551600000000,  0.0000123400000000, -0.0008602700000000 ]  - [   0.0024050200000000,  0.0000129900000000, -0.0010789400000000 ]  - [   0.0024050200000000, -0.0000129900000000, -0.0010789400000000 ]  - [   0.0020081700000000,  0.0001299600000000, -0.0018516400000000 ]  - [   0.0020081700000000, -0.0001299600000000, -0.0018516400000000 ]  - [   0.0022367000000000, -0.0000608400000000, -0.0014545900000000 ]  - [   0.0022367000000000,  0.0000608400000000, -0.0014545900000000 ]  - [  -0.0122015100000000,  0.0000000000000000,  0.0216943100000000 ]  - [  -0.0030730300000000, -0.0000204400000000,  0.0015406300000000 ]  - [  -0.0026975900000000,  0.0000000000000000,  0.0005982900000000 ]  - [  -0.0030730300000000,  0.0000204400000000,  0.0015406300000000 ]  - [  -0.0023207500000000,  0.0000000000000000, -0.0003512100000000 ]  - [  -0.0024221900000000, -0.0002048300000000, -0.0002083100000000 ]  - [  -0.0025073800000000,  0.0000000000000000,  0.0000043000000000 ]  - [  -0.0024221900000000,  0.0002048300000000, -0.0002083100000000 ]  - [  -0.0024071400000000,  0.0000000000000000, -0.0003827600000000 ]  - [  -0.0024641500000000,  0.0001644900000000, -0.0002258500000000 ]  - [  -0.0025520500000000,  0.0000000000000000, -0.0000112900000000 ]  - [  -0.0024641500000000, -0.0001644900000000, -0.0002258500000000 ]  - [   0.0009408700000000,  0.0008719400000000,  0.0003535800000000 ]  - [   0.0009408700000000, -0.0008719400000000,  0.0003535800000000 ]  - [   0.0024293300000000, -0.0000293900000000,  0.0002050700000000 ]  - [   0.0024293300000000,  0.0000293900000000,  0.0002050700000000 ]  - [   0.0026328400000000,  0.0000617800000000, -0.0005741200000000 ]  - [   0.0026328400000000, -0.0000617800000000, -0.0005741200000000 ]  - [   0.0026058700000000, -0.0000438400000000, -0.0004190600000000 ]  - [   0.0026058700000000,  0.0000438400000000, -0.0004190600000000 ]  - [   0.0029197900000000, -0.0000921200000000, -0.0004945500000000 ]  - [   0.0029197900000000,  0.0000921200000000, -0.0004945500000000 ]  - [   0.0027078800000000,  0.0000646600000000, -0.0003555500000000 ]  - [   0.0027078800000000, -0.0000646600000000, -0.0003555500000000 ]  - [  -0.0024182500000000, -0.0000236100000000,  0.0004746700000000 ]  - [  -0.0024182500000000,  0.0000236100000000,  0.0004746700000000 ]  - [  -0.0025112200000000,  0.0000117500000000,  0.0003971900000000 ]  - [  -0.0025112200000000, -0.0000117500000000,  0.0003971900000000 ]  - [  -0.0026813700000000,  0.0000374400000000,  0.0000592200000000 ]  - [  -0.0026813700000000, -0.0000374400000000,  0.0000592200000000 ]  - [  -0.0026360700000000, -0.0000241000000000,  0.0000883900000000 ]  - [  -0.0026360700000000,  0.0000241000000000,  0.0000883900000000 ]  - [  -0.0025939500000000, -0.0000079800000000,  0.0000849300000000 ]  - [  -0.0025939500000000,  0.0000079800000000,  0.0000849300000000 ]  - [  -0.0025770100000000,  0.0000058700000000,  0.0001050600000000 ]  - [  -0.0025770100000000, -0.0000058700000000,  0.0001050600000000 ]  - [   0.0038157700000000,  0.0000000000000000, -0.0001449400000000 ]  - [   0.0027958100000000, -0.0001176000000000,  0.0001042600000000 ]  - [   0.0026571700000000,  0.0000000000000000,  0.0000021600000000 ]  - [   0.0027958100000000,  0.0001176000000000,  0.0001042600000000 ]  - [   0.0026274800000000,  0.0000000000000000, -0.0004263000000000 ]  - [   0.0026134400000000, -0.0000067200000000, -0.0003758000000000 ]  - [   0.0025974800000000,  0.0000000000000000, -0.0003272100000000 ]  - [   0.0026134400000000,  0.0000067200000000, -0.0003758000000000 ]  - [   0.0019127700000000,  0.0000000000000000, -0.0007631300000000 ]  - [   0.0023395200000000,  0.0000824300000000, -0.0002595500000000 ]  - [   0.0024867100000000,  0.0000000000000000, -0.0002606700000000 ]  - [   0.0023395200000000, -0.0000824300000000, -0.0002595500000000 ]  - [  -0.0061963000000000,  0.0033189700000000, -0.0070984400000000 ]  - [  -0.0061963000000000, -0.0033189700000000, -0.0070984400000000 ]  - [  -0.0063260200000000, -0.0003111100000000, -0.0030220400000000 ]  - [  -0.0063260200000000,  0.0003111100000000, -0.0030220400000000 ]  - [  -0.0064266600000000,  0.0000106200000000, -0.0031174400000000 ]  - [  -0.0064266600000000, -0.0000106200000000, -0.0031174400000000 ]  - [  -0.0064355300000000, -0.0000143500000000, -0.0030741100000000 ]  - [  -0.0064355300000000,  0.0000143500000000, -0.0030741100000000 ]  - [  -0.0045076900000000, -0.0031059900000000, -0.0061784400000000 ]  - [  -0.0045076900000000,  0.0031059900000000, -0.0061784400000000 ]  - [  -0.0064778300000000,  0.0003106400000000, -0.0028829100000000 ]  - [  -0.0064778300000000, -0.0003106400000000, -0.0028829100000000 ]  - [   0.0112653900000000,  0.0000000000000000,  0.0026031400000000 ]  - [   0.0069926200000000,  0.0006321800000000,  0.0030971800000000 ]  - [   0.0064793100000000,  0.0000000000000000,  0.0031245900000000 ]  - [   0.0069926200000000, -0.0006321800000000,  0.0030971800000000 ]  - [   0.0060297300000000,  0.0000000000000000,  0.0019295500000000 ]  - [   0.0060652600000000, -0.0004395300000000,  0.0027728400000000 ]  - [   0.0062930600000000,  0.0000000000000000,  0.0028914800000000 ]  - [   0.0060652600000000,  0.0004395300000000,  0.0027728400000000 ]  - [   0.0063762000000000,  0.0000000000000000,  0.0028033000000000 ]  - [   0.0063591700000000,  0.0000192500000000,  0.0028261700000000 ]  - [   0.0063475500000000,  0.0000000000000000,  0.0028597100000000 ]  - [   0.0063591700000000, -0.0000192500000000,  0.0028261700000000 ]  - [  -0.0062457500000000,  0.0000000000000000, -0.0029401100000000 ]  - [  -0.0062751000000000, -0.0000497900000000, -0.0029252100000000 ]  - [  -0.0063083300000000,  0.0000000000000000, -0.0029240400000000 ]  - [  -0.0062751000000000,  0.0000497900000000, -0.0029252100000000 ]  - [  -0.0066176900000000,  0.0000000000000000, -0.0030835900000000 ]  - [  -0.0065286500000000,  0.0000253900000000, -0.0030556000000000 ]  - [  -0.0064718600000000,  0.0000000000000000, -0.0030438500000000 ]  - [  -0.0065286500000000, -0.0000253900000000, -0.0030556000000000 ]  - [  -0.0062488900000000,  0.0000000000000000, -0.0028970700000000 ]  - [  -0.0063260300000000, -0.0000214800000000, -0.0029735300000000 ]  - [  -0.0063671800000000,  0.0000000000000000, -0.0029363900000000 ]  - [  -0.0063260300000000,  0.0000214800000000, -0.0029735300000000 ]  - [   0.0063217700000000, -0.0001849900000000,  0.0028593700000000 ]  - [   0.0063217700000000,  0.0001849900000000,  0.0028593700000000 ]  - [   0.0064711300000000,  0.0000260200000000,  0.0030123400000000 ]  - [   0.0064711300000000, -0.0000260200000000,  0.0030123400000000 ]  - [   0.0065594200000000,  0.0000464100000000,  0.0031441300000000 ]  - [   0.0065594200000000, -0.0000464100000000,  0.0031441300000000 ]  - [   0.0064142200000000, -0.0000438900000000,  0.0030117400000000 ]  - [   0.0064142200000000,  0.0000438900000000,  0.0030117400000000 ]  - [   0.0061087100000000, -0.0000281600000000,  0.0028652900000000 ]  - [   0.0061087100000000,  0.0000281600000000,  0.0028652900000000 ]  - [   0.0062874700000000,  0.0000192500000000,  0.0028716800000000 ]  - [   0.0062874700000000, -0.0000192500000000,  0.0028716800000000 ]- atom:   97  displacement:    [   0.0099999879521437,  0.0000000000000000, -0.0000155227890945 ]  forces:  - [  -0.0022249500000000,  0.0000000000000000,  0.0021843400000000 ]  - [  -0.0022311800000000,  0.0000518800000000,  0.0016115300000000 ]  - [  -0.0023337800000000,  0.0000000000000000,  0.0013296700000000 ]  - [  -0.0022311800000000, -0.0000518800000000,  0.0016115300000000 ]  - [   0.0094079000000000,  0.0000000000000000,  0.0157764500000000 ]  - [  -0.0012428500000000, -0.0015214600000000,  0.0013569300000000 ]  - [  -0.0019942200000000,  0.0000000000000000,  0.0014507400000000 ]  - [  -0.0012428500000000,  0.0015214600000000,  0.0013569300000000 ]  - [  -0.0022624000000000,  0.0000000000000000,  0.0013809400000000 ]  - [  -0.0023286800000000,  0.0000018500000000,  0.0012840200000000 ]  - [  -0.0023405000000000,  0.0000000000000000,  0.0012781200000000 ]  - [  -0.0023286800000000, -0.0000018500000000,  0.0012840200000000 ]  - [   0.0234455000000000,  0.0091299100000000, -0.0022778100000000 ]  - [   0.0034971700000000,  0.0002089700000000, -0.0011139900000000 ]  - [   0.0034971700000000, -0.0002089700000000, -0.0011139900000000 ]  - [   0.0234455000000000, -0.0091299100000000, -0.0022778100000000 ]  - [   0.0025537100000000, -0.0000856000000000, -0.0015740800000000 ]  - [   0.0023654900000000, -0.0000321800000000, -0.0014959500000000 ]  - [   0.0023654900000000,  0.0000321800000000, -0.0014959500000000 ]  - [   0.0025537100000000,  0.0000856000000000, -0.0015740800000000 ]  - [   0.0024373900000000,  0.0000783200000000, -0.0011880700000000 ]  - [   0.0023359100000000,  0.0000145000000000, -0.0013043200000000 ]  - [   0.0023359100000000, -0.0000145000000000, -0.0013043200000000 ]  - [   0.0024373900000000, -0.0000783200000000, -0.0011880700000000 ]  - [  -0.0027531800000000,  0.0006018200000000,  0.0012678600000000 ]  - [  -0.0024473000000000,  0.0001517200000000,  0.0013502800000000 ]  - [  -0.0024473000000000, -0.0001517200000000,  0.0013502800000000 ]  - [  -0.0027531800000000, -0.0006018200000000,  0.0012678600000000 ]  - [  -0.0030845700000000,  0.0008229800000000,  0.0011264700000000 ]  - [  -0.0024545100000000,  0.0001080300000000,  0.0013548600000000 ]  - [  -0.0024545100000000, -0.0001080300000000,  0.0013548600000000 ]  - [  -0.0030845700000000, -0.0008229800000000,  0.0011264700000000 ]  - [  -0.0024225400000000,  0.0000336300000000,  0.0009692800000000 ]  - [  -0.0023249300000000,  0.0000049900000000,  0.0012315100000000 ]  - [  -0.0023249300000000, -0.0000049900000000,  0.0012315100000000 ]  - [  -0.0024225400000000, -0.0000336300000000,  0.0009692800000000 ]  - [   0.0014133700000000,  0.0000000000000000, -0.0015075800000000 ]  - [   0.0019568300000000,  0.0001102300000000, -0.0012403700000000 ]  - [   0.0022535400000000,  0.0000000000000000, -0.0013054600000000 ]  - [   0.0019568300000000, -0.0001102300000000, -0.0012403700000000 ]  - [   0.0021011700000000,  0.0000000000000000, -0.0013300800000000 ]  - [   0.0021672700000000, -0.0000555700000000, -0.0013426000000000 ]  - [   0.0022441200000000,  0.0000000000000000, -0.0013625500000000 ]  - [   0.0021672700000000,  0.0000555700000000, -0.0013426000000000 ]  - [   0.0012778300000000,  0.0000000000000000, -0.0028229800000000 ]  - [   0.0023144100000000,  0.0001593600000000, -0.0014794000000000 ]  - [   0.0023972400000000,  0.0000000000000000, -0.0013545600000000 ]  - [   0.0023144100000000, -0.0001593600000000, -0.0014794000000000 ]  - [  -0.0042526300000000, -0.0004087600000000, -0.0005170400000000 ]  - [  -0.0026611200000000,  0.0000441200000000,  0.0001139900000000 ]  - [  -0.0026611200000000, -0.0000441200000000,  0.0001139900000000 ]  - [  -0.0042526300000000,  0.0004087600000000, -0.0005170400000000 ]  - [  -0.0032068500000000, -0.0012360400000000, -0.0019567300000000 ]  - [  -0.0027021500000000,  0.0000335600000000,  0.0002515500000000 ]  - [  -0.0027021500000000, -0.0000335600000000,  0.0002515500000000 ]  - [  -0.0032068500000000,  0.0012360400000000, -0.0019567300000000 ]  - [  -0.0025740800000000, -0.0000092600000000,  0.0002317600000000 ]  - [  -0.0025836000000000, -0.0000019000000000,  0.0002366100000000 ]  - [  -0.0025836000000000,  0.0000019000000000,  0.0002366100000000 ]  - [  -0.0025740800000000,  0.0000092600000000,  0.0002317600000000 ]  - [   0.0090737800000000,  0.0000000000000000, -0.0033250200000000 ]  - [   0.0032230400000000,  0.0006487800000000, -0.0006301900000000 ]  - [   0.0025897300000000,  0.0000000000000000, -0.0002843700000000 ]  - [   0.0032230400000000, -0.0006487800000000, -0.0006301900000000 ]  - [   0.0025147800000000,  0.0000000000000000,  0.0001608000000000 ]  - [   0.0024896200000000,  0.0001851100000000,  0.0001199700000000 ]  - [   0.0025794400000000,  0.0000000000000000, -0.0000904400000000 ]  - [   0.0024896200000000, -0.0001851100000000,  0.0001199700000000 ]  - [   0.0026516600000000,  0.0000000000000000, -0.0001697200000000 ]  - [   0.0026299100000000, -0.0000134700000000, -0.0001585200000000 ]  - [   0.0026043400000000,  0.0000000000000000, -0.0001541800000000 ]  - [   0.0026299100000000,  0.0000134700000000, -0.0001585200000000 ]  - [  -0.0023177900000000,  0.0000000000000000,  0.0001352200000000 ]  - [  -0.0024721100000000, -0.0000672400000000,  0.0001186800000000 ]  - [  -0.0025493100000000,  0.0000000000000000,  0.0001291400000000 ]  - [  -0.0024721100000000,  0.0000672400000000,  0.0001186800000000 ]  - [  -0.0020588700000000,  0.0000000000000000,  0.0002112200000000 ]  - [  -0.0023145000000000,  0.0000793000000000,  0.0002123900000000 ]  - [  -0.0024971700000000,  0.0000000000000000,  0.0001981300000000 ]  - [  -0.0023145000000000, -0.0000793000000000,  0.0002123900000000 ]  - [  -0.0026161200000000,  0.0000000000000000,  0.0004167100000000 ]  - [  -0.0026068000000000, -0.0000218700000000,  0.0003278400000000 ]  - [  -0.0025924700000000,  0.0000000000000000,  0.0002732200000000 ]  - [  -0.0026068000000000,  0.0000218700000000,  0.0003278400000000 ]  - [   0.0059768700000000, -0.0019885500000000,  0.0009196200000000 ]  - [   0.0025791600000000, -0.0000769900000000, -0.0002815500000000 ]  - [   0.0025791600000000,  0.0000769900000000, -0.0002815500000000 ]  - [   0.0059768700000000,  0.0019885500000000,  0.0009196200000000 ]  - [   0.0026633900000000, -0.0000818700000000, -0.0003433600000000 ]  - [   0.0025884400000000, -0.0000115300000000, -0.0002160100000000 ]  - [   0.0025884400000000,  0.0000115300000000, -0.0002160100000000 ]  - [   0.0026633900000000,  0.0000818700000000, -0.0003433600000000 ]  - [   0.0024422200000000, -0.0001328300000000,  0.0000440600000000 ]  - [   0.0025403900000000, -0.0000257000000000, -0.0001115500000000 ]  - [   0.0025403900000000,  0.0000257000000000, -0.0001115500000000 ]  - [   0.0024422200000000,  0.0001328300000000,  0.0000440600000000 ]  - [  -0.0776184400000000,  0.0000000000000000, -0.0217673000000000 ]  - [  -0.0105504200000000,  0.0025982000000000, -0.0030923100000000 ]  - [  -0.0062519300000000,  0.0000000000000000, -0.0031495100000000 ]  - [  -0.0105504200000000, -0.0025982000000000, -0.0030923100000000 ]  - [  -0.0065363400000000,  0.0000000000000000, -0.0028732000000000 ]  - [  -0.0064314400000000,  0.0000075900000000, -0.0029204800000000 ]  - [  -0.0063949000000000,  0.0000000000000000, -0.0029322100000000 ]  - [  -0.0064314400000000, -0.0000075900000000, -0.0029204800000000 ]  - [  -0.0065339200000000,  0.0000000000000000, -0.0031707500000000 ]  - [  -0.0064277900000000, -0.0000022700000000, -0.0030480000000000 ]  - [  -0.0063909700000000,  0.0000000000000000, -0.0029939400000000 ]  - [  -0.0064277900000000,  0.0000022700000000, -0.0030480000000000 ]  - [   0.0064415500000000,  0.0000610500000000,  0.0028715200000000 ]  - [   0.0064156100000000,  0.0000395200000000,  0.0029781800000000 ]  - [   0.0064156100000000, -0.0000395200000000,  0.0029781800000000 ]  - [   0.0064415500000000, -0.0000610500000000,  0.0028715200000000 ]  - [   0.0121375500000000,  0.0060291000000000,  0.0094538600000000 ]  - [   0.0064488400000000,  0.0003627700000000,  0.0026688100000000 ]  - [   0.0064488400000000, -0.0003627700000000,  0.0026688100000000 ]  - [   0.0121375500000000, -0.0060291000000000,  0.0094538600000000 ]  - [   0.0064312200000000, -0.0000157500000000,  0.0030352700000000 ]  - [   0.0064156300000000, -0.0000052500000000,  0.0030049800000000 ]  - [   0.0064156300000000,  0.0000052500000000,  0.0030049800000000 ]  - [   0.0064312200000000,  0.0000157500000000,  0.0030352700000000 ]  - [  -0.0060887300000000, -0.0001395600000000, -0.0026799600000000 ]  - [  -0.0063254400000000, -0.0000752700000000, -0.0029108200000000 ]  - [  -0.0063254400000000,  0.0000752700000000, -0.0029108200000000 ]  - [  -0.0060887300000000,  0.0001395600000000, -0.0026799600000000 ]  - [  -0.0061940200000000, -0.0000086100000000, -0.0029373200000000 ]  - [  -0.0063524500000000,  0.0000151200000000, -0.0029319500000000 ]  - [  -0.0063524500000000, -0.0000151200000000, -0.0029319500000000 ]  - [  -0.0061940200000000,  0.0000086100000000, -0.0029373200000000 ]  - [  -0.0061895200000000, -0.0002942200000000, -0.0028911900000000 ]  - [  -0.0063487100000000, -0.0000745300000000, -0.0029559000000000 ]  - [  -0.0063487100000000,  0.0000745300000000, -0.0029559000000000 ]  - [  -0.0061895200000000,  0.0002942200000000, -0.0028911900000000 ]  - [   0.0075872900000000,  0.0000000000000000,  0.0028498400000000 ]  - [   0.0063936300000000, -0.0002547000000000,  0.0030362700000000 ]  - [   0.0063502300000000,  0.0000000000000000,  0.0029896900000000 ]  - [   0.0063936300000000,  0.0002547000000000,  0.0030362700000000 ]  - [   0.0071181900000000,  0.0000000000000000,  0.0038145000000000 ]  - [   0.0063488700000000, -0.0001817100000000,  0.0029656400000000 ]  - [   0.0063746000000000,  0.0000000000000000,  0.0029759900000000 ]  - [   0.0063488700000000,  0.0001817100000000,  0.0029656400000000 ]  - [   0.0064204600000000,  0.0000000000000000,  0.0029984200000000 ]  - [   0.0064123500000000,  0.0000177500000000,  0.0029860400000000 ]  - [   0.0063946100000000,  0.0000000000000000,  0.0029801100000000 ]  - [   0.0064123500000000, -0.0000177500000000,  0.0029860400000000 ]- atom:   97  displacement:    [  -0.0099999879521437,  0.0000000000000000,  0.0000155227890945 ]  forces:  - [  -0.0023904700000000,  0.0000000000000000,  0.0004563900000000 ]  - [  -0.0023931300000000, -0.0000476600000000,  0.0010313300000000 ]  - [  -0.0022950800000000,  0.0000000000000000,  0.0013172400000000 ]  - [  -0.0023931300000000,  0.0000476600000000,  0.0010313300000000 ]  - [  -0.0140638500000000,  0.0000000000000000, -0.0128903400000000 ]  - [  -0.0033801500000000,  0.0015294600000000,  0.0012896800000000 ]  - [  -0.0026358700000000,  0.0000000000000000,  0.0011945900000000 ]  - [  -0.0033801500000000, -0.0015294600000000,  0.0012896800000000 ]  - [  -0.0023782800000000,  0.0000000000000000,  0.0013160700000000 ]  - [  -0.0023114700000000, -0.0000007900000000,  0.0014151700000000 ]  - [  -0.0023009000000000,  0.0000000000000000,  0.0014215200000000 ]  - [  -0.0023114700000000,  0.0000007900000000,  0.0014151700000000 ]  - [  -0.0183330500000000, -0.0085161400000000, -0.0005170600000000 ]  - [   0.0011352100000000, -0.0002097800000000, -0.0015873100000000 ]  - [   0.0011352100000000,  0.0002097800000000, -0.0015873100000000 ]  - [  -0.0183330500000000,  0.0085161400000000, -0.0005170600000000 ]  - [   0.0020709300000000,  0.0000872800000000, -0.0010695400000000 ]  - [   0.0022628700000000,  0.0000326300000000, -0.0011514600000000 ]  - [   0.0022628700000000, -0.0000326300000000, -0.0011514600000000 ]  - [   0.0020709300000000, -0.0000872800000000, -0.0010695400000000 ]  - [   0.0021905200000000, -0.0000770800000000, -0.0014590900000000 ]  - [   0.0022918600000000, -0.0000138000000000, -0.0013429300000000 ]  - [   0.0022918600000000,  0.0000138000000000, -0.0013429300000000 ]  - [   0.0021905200000000,  0.0000770800000000, -0.0014590900000000 ]  - [  -0.0018728400000000, -0.0006042400000000,  0.0013817200000000 ]  - [  -0.0021816000000000, -0.0001527500000000,  0.0012974600000000 ]  - [  -0.0021816000000000,  0.0001527500000000,  0.0012974600000000 ]  - [  -0.0018728400000000,  0.0006042400000000,  0.0013817200000000 ]  - [  -0.0015320300000000, -0.0008355600000000,  0.0015224600000000 ]  - [  -0.0021719300000000, -0.0001102600000000,  0.0012914500000000 ]  - [  -0.0021719300000000,  0.0001102600000000,  0.0012914500000000 ]  - [  -0.0015320300000000,  0.0008355600000000,  0.0015224600000000 ]  - [  -0.0022169500000000, -0.0000336400000000,  0.0017310200000000 ]  - [  -0.0023155900000000, -0.0000049200000000,  0.0014681800000000 ]  - [  -0.0023155900000000,  0.0000049200000000,  0.0014681800000000 ]  - [  -0.0022169500000000,  0.0000336400000000,  0.0017310200000000 ]  - [   0.0032358300000000,  0.0000000000000000, -0.0011894500000000 ]  - [   0.0026851100000000, -0.0001138400000000, -0.0014604200000000 ]  - [   0.0023878100000000,  0.0000000000000000, -0.0013941700000000 ]  - [   0.0026851100000000,  0.0001138400000000, -0.0014604200000000 ]  - [   0.0025271900000000,  0.0000000000000000, -0.0013195300000000 ]  - [   0.0024624300000000,  0.0000555300000000, -0.0013057400000000 ]  - [   0.0023833000000000,  0.0000000000000000, -0.0012840700000000 ]  - [   0.0024624300000000, -0.0000555300000000, -0.0013057400000000 ]  - [   0.0033533900000000,  0.0000000000000000,  0.0001826800000000 ]  - [   0.0023128500000000, -0.0001603500000000, -0.0011660700000000 ]  - [   0.0022309600000000,  0.0000000000000000, -0.0012913800000000 ]  - [   0.0023128500000000,  0.0001603500000000, -0.0011660700000000 ]  - [  -0.0009143700000000,  0.0003986400000000,  0.0009196300000000 ]  - [  -0.0025017100000000, -0.0000452200000000,  0.0002765800000000 ]  - [  -0.0025017100000000,  0.0000452200000000,  0.0002765800000000 ]  - [  -0.0009143700000000, -0.0003986400000000,  0.0009196300000000 ]  - [  -0.0019362800000000,  0.0012355000000000,  0.0023488000000000 ]  - [  -0.0024597800000000, -0.0000341000000000,  0.0001389100000000 ]  - [  -0.0024597800000000,  0.0000341000000000,  0.0001389100000000 ]  - [  -0.0019362800000000, -0.0012355000000000,  0.0023488000000000 ]  - [  -0.0025878600000000,  0.0000094500000000,  0.0001551900000000 ]  - [  -0.0025781500000000,  0.0000024200000000,  0.0001490400000000 ]  - [  -0.0025781500000000, -0.0000024200000000,  0.0001490400000000 ]  - [  -0.0025878600000000, -0.0000094500000000,  0.0001551900000000 ]  - [  -0.0038156700000000,  0.0000000000000000,  0.0028835700000000 ]  - [   0.0019429400000000, -0.0006440800000000,  0.0002410800000000 ]  - [   0.0025727700000000,  0.0000000000000000, -0.0001033200000000 ]  - [   0.0019429400000000,  0.0006440800000000,  0.0002410800000000 ]  - [   0.0026484800000000,  0.0000000000000000, -0.0005532700000000 ]  - [   0.0026721700000000, -0.0001865700000000, -0.0005100500000000 ]  - [   0.0025828000000000,  0.0000000000000000, -0.0002988000000000 ]  - [   0.0026721700000000,  0.0001865700000000, -0.0005100500000000 ]  - [   0.0025102200000000,  0.0000000000000000, -0.0002216700000000 ]  - [   0.0025324500000000,  0.0000126800000000, -0.0002331400000000 ]  - [   0.0025586400000000,  0.0000000000000000, -0.0002384100000000 ]  - [   0.0025324500000000, -0.0000126800000000, -0.0002331400000000 ]  - [  -0.0028487900000000,  0.0000000000000000,  0.0002552500000000 ]  - [  -0.0026933400000000,  0.0000692900000000,  0.0002716800000000 ]  - [  -0.0026146500000000,  0.0000000000000000,  0.0002613500000000 ]  - [  -0.0026933400000000, -0.0000692900000000,  0.0002716800000000 ]  - [  -0.0031077600000000,  0.0000000000000000,  0.0001789800000000 ]  - [  -0.0028490800000000, -0.0000781700000000,  0.0001784900000000 ]  - [  -0.0026653500000000,  0.0000000000000000,  0.0001909300000000 ]  - [  -0.0028490800000000,  0.0000781700000000,  0.0001784900000000 ]  - [  -0.0025452000000000,  0.0000000000000000, -0.0000318200000000 ]  - [  -0.0025549400000000,  0.0000213700000000,  0.0000576500000000 ]  - [  -0.0025695900000000,  0.0000000000000000,  0.0001131700000000 ]  - [  -0.0025549400000000, -0.0000213700000000,  0.0000576500000000 ]  - [  -0.0008764100000000,  0.0020350300000000, -0.0013366800000000 ]  - [   0.0025827300000000,  0.0000785900000000, -0.0001060000000000 ]  - [   0.0025827300000000, -0.0000785900000000, -0.0001060000000000 ]  - [  -0.0008764100000000, -0.0020350300000000, -0.0013366800000000 ]  - [   0.0024984100000000,  0.0000844000000000, -0.0000432700000000 ]  - [   0.0025735400000000,  0.0000110800000000, -0.0001733000000000 ]  - [   0.0025735400000000, -0.0000110800000000, -0.0001733000000000 ]  - [   0.0024984100000000, -0.0000844000000000, -0.0000432700000000 ]  - [   0.0027211300000000,  0.0001330800000000, -0.0004371500000000 ]  - [   0.0026227600000000,  0.0000260400000000, -0.0002802700000000 ]  - [   0.0026227600000000, -0.0000260400000000, -0.0002802700000000 ]  - [   0.0027211300000000, -0.0001330800000000, -0.0004371500000000 ]  - [   0.0638704500000000,  0.0000000000000000,  0.0158022200000000 ]  - [  -0.0022045300000000, -0.0026472900000000, -0.0028108600000000 ]  - [  -0.0065098300000000,  0.0000000000000000, -0.0027605900000000 ]  - [  -0.0022045300000000,  0.0026472900000000, -0.0028108600000000 ]  - [  -0.0062463000000000,  0.0000000000000000, -0.0030622300000000 ]  - [  -0.0063533000000000, -0.0000083600000000, -0.0030136700000000 ]  - [  -0.0063901300000000,  0.0000000000000000, -0.0030016700000000 ]  - [  -0.0063533000000000,  0.0000083600000000, -0.0030136700000000 ]  - [  -0.0062429900000000,  0.0000000000000000, -0.0027952000000000 ]  - [  -0.0063493100000000,  0.0000019400000000, -0.0029203400000000 ]  - [  -0.0063860000000000,  0.0000000000000000, -0.0029758900000000 ]  - [  -0.0063493100000000, -0.0000019400000000, -0.0029203400000000 ]  - [   0.0063331200000000, -0.0000621500000000,  0.0030988200000000 ]  - [   0.0063614100000000, -0.0000408200000000,  0.0029915900000000 ]  - [   0.0063614100000000,  0.0000408200000000,  0.0029915900000000 ]  - [   0.0063331200000000,  0.0000621500000000,  0.0030988200000000 ]  - [   0.0006697000000000, -0.0059735000000000, -0.0034625900000000 ]  - [   0.0063360900000000, -0.0003659000000000,  0.0032672900000000 ]  - [   0.0063360900000000,  0.0003659000000000,  0.0032672900000000 ]  - [   0.0006697000000000,  0.0059735000000000, -0.0034625900000000 ]  - [   0.0063299700000000,  0.0000156000000000,  0.0028748500000000 ]  - [   0.0063451100000000,  0.0000049100000000,  0.0029054800000000 ]  - [   0.0063451100000000, -0.0000049100000000,  0.0029054800000000 ]  - [   0.0063299700000000, -0.0000156000000000,  0.0028748500000000 ]  - [  -0.0066758300000000,  0.0001404100000000, -0.0032351200000000 ]  - [  -0.0064373700000000,  0.0000765100000000, -0.0030010800000000 ]  - [  -0.0064373700000000, -0.0000765100000000, -0.0030010800000000 ]  - [  -0.0066758300000000, -0.0001404100000000, -0.0032351200000000 ]  - [  -0.0065930600000000,  0.0000083300000000, -0.0029972700000000 ]  - [  -0.0064328100000000, -0.0000152200000000, -0.0030021500000000 ]  - [  -0.0064328100000000,  0.0000152200000000, -0.0030021500000000 ]  - [  -0.0065930600000000, -0.0000083300000000, -0.0029972700000000 ]  - [  -0.0065888600000000,  0.0002961600000000, -0.0030796000000000 ]  - [  -0.0064288800000000,  0.0000747000000000, -0.0030140800000000 ]  - [  -0.0064288800000000, -0.0000747000000000, -0.0030140800000000 ]  - [  -0.0065888600000000, -0.0002961600000000, -0.0030796000000000 ]  - [   0.0051851200000000,  0.0000000000000000,  0.0031285300000000 ]  - [   0.0063839600000000,  0.0002561400000000,  0.0029329600000000 ]  - [   0.0064267700000000,  0.0000000000000000,  0.0029797700000000 ]  - [   0.0063839600000000, -0.0002561400000000,  0.0029329600000000 ]  - [   0.0056574800000000,  0.0000000000000000,  0.0021045200000000 ]  - [   0.0064372500000000,  0.0001850000000000,  0.0029674100000000 ]  - [   0.0064107500000000,  0.0000000000000000,  0.0029571200000000 ]  - [   0.0064372500000000, -0.0001850000000000,  0.0029674100000000 ]  - [   0.0063408500000000,  0.0000000000000000,  0.0029126200000000 ]  - [   0.0063488600000000, -0.0000178700000000,  0.0029246700000000 ]  - [   0.0063664300000000,  0.0000000000000000,  0.0029305800000000 ]  - [   0.0063488600000000,  0.0000178700000000,  0.0029246700000000 ]- atom:   97  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0023158500000000,  0.0008945900000000,  0.0013267300000000 ]  - [  -0.0027277900000000, -0.0002617500000000,  0.0021512000000000 ]  - [  -0.0023136600000000, -0.0003660200000000,  0.0013234100000000 ]  - [  -0.0019023700000000, -0.0002593200000000,  0.0004980600000000 ]  - [  -0.0022922600000000,  0.0071833400000000,  0.0012875000000000 ]  - [  -0.0029520300000000, -0.0015299000000000, -0.0000634900000000 ]  - [  -0.0023152800000000, -0.0009610900000000,  0.0013214000000000 ]  - [  -0.0016848500000000, -0.0015258800000000,  0.0026971100000000 ]  - [  -0.0023184600000000,  0.0001767800000000,  0.0013516400000000 ]  - [  -0.0023855200000000, -0.0000128000000000,  0.0012815900000000 ]  - [  -0.0023206200000000, -0.0001484100000000,  0.0013507800000000 ]  - [  -0.0022541400000000, -0.0000142000000000,  0.0014200800000000 ]  - [   0.0134067700000000,  0.0095157000000000, -0.0045202300000000 ]  - [   0.0023297000000000, -0.0023455500000000, -0.0016016600000000 ]  - [   0.0023086500000000, -0.0023436600000000, -0.0011012200000000 ]  - [  -0.0081520000000000,  0.0089764300000000,  0.0016617700000000 ]  - [   0.0024168700000000,  0.0002145800000000, -0.0015812600000000 ]  - [   0.0024375200000000, -0.0002036700000000, -0.0015085200000000 ]  - [   0.0021927300000000, -0.0002044100000000, -0.0011397500000000 ]  - [   0.0022100400000000,  0.0002105200000000, -0.0010606000000000 ]  - [   0.0024255100000000,  0.0001856400000000, -0.0012012500000000 ]  - [   0.0023548100000000, -0.0001836100000000, -0.0012152200000000 ]  - [   0.0022723000000000, -0.0001832600000000, -0.0014304700000000 ]  - [   0.0022007900000000,  0.0001857400000000, -0.0014433700000000 ]  - [  -0.0022837500000000,  0.0002104200000000,  0.0011899400000000 ]  - [  -0.0022535800000000, -0.0002307300000000,  0.0013878000000000 ]  - [  -0.0023733100000000, -0.0002294600000000,  0.0012589700000000 ]  - [  -0.0023398200000000,  0.0002123900000000,  0.0014539200000000 ]  - [  -0.0023242300000000,  0.0003836900000000,  0.0012964400000000 ]  - [  -0.0023140300000000, -0.0003845700000000,  0.0013259400000000 ]  - [  -0.0023149800000000, -0.0003857900000000,  0.0013203100000000 ]  - [  -0.0023134100000000,  0.0003692900000000,  0.0013465600000000 ]  - [  -0.0025731200000000,  0.0001014200000000,  0.0010556800000000 ]  - [  -0.0023963400000000, -0.0000977300000000,  0.0012771900000000 ]  - [  -0.0022434700000000, -0.0000979700000000,  0.0014231800000000 ]  - [  -0.0020668700000000,  0.0001009600000000,  0.0016437000000000 ]  - [   0.0023173000000000,  0.0003662000000000, -0.0013538100000000 ]  - [   0.0023227200000000,  0.0000969600000000, -0.0012394100000000 ]  - [   0.0023211600000000, -0.0005237300000000, -0.0013509600000000 ]  - [   0.0023166800000000,  0.0000935300000000, -0.0014624700000000 ]  - [   0.0023129000000000,  0.0003553600000000, -0.0013227100000000 ]  - [   0.0022777800000000, -0.0000758200000000, -0.0013516400000000 ]  - [   0.0023137800000000, -0.0002133400000000, -0.0013228200000000 ]  - [   0.0023509300000000, -0.0000764500000000, -0.0012941400000000 ]  - [   0.0023153700000000,  0.0002156900000000, -0.0013189800000000 ]  - [   0.0025297000000000, -0.0000032900000000, -0.0010840400000000 ]  - [   0.0023141600000000, -0.0001490300000000, -0.0013229300000000 ]  - [   0.0020989500000000, -0.0000031500000000, -0.0015596700000000 ]  - [  -0.0024407700000000,  0.0005018400000000, -0.0032821800000000 ]  - [  -0.0025841300000000,  0.0004129100000000, -0.0001328200000000 ]  - [  -0.0025788400000000,  0.0004111900000000,  0.0005233200000000 ]  - [  -0.0027139600000000,  0.0004914400000000,  0.0036405400000000 ]  - [  -0.0038555600000000,  0.0006635100000000,  0.0030289000000000 ]  - [  -0.0027464700000000,  0.0003634000000000,  0.0004710100000000 ]  - [  -0.0024173700000000,  0.0003629400000000, -0.0000791100000000 ]  - [  -0.0013136500000000,  0.0006823500000000, -0.0026267900000000 ]  - [  -0.0025775900000000, -0.0000480100000000,  0.0001817100000000 ]  - [  -0.0025763600000000,  0.0000485000000000,  0.0001792800000000 ]  - [  -0.0025844600000000,  0.0000481600000000,  0.0002053300000000 ]  - [  -0.0025828200000000, -0.0000477900000000,  0.0002034700000000 ]  - [   0.0025762700000000, -0.0028108400000000, -0.0001882500000000 ]  - [   0.0034691800000000,  0.0006068300000000, -0.0005858900000000 ]  - [   0.0025816600000000,  0.0003605600000000, -0.0001934100000000 ]  - [   0.0017012100000000,  0.0006012600000000,  0.0001987300000000 ]  - [   0.0025796200000000, -0.0004293600000000, -0.0001963900000000 ]  - [   0.0024586800000000,  0.0001563700000000,  0.0002282400000000 ]  - [   0.0025811500000000,  0.0002204800000000, -0.0001944400000000 ]  - [   0.0027023500000000,  0.0001578200000000, -0.0006167600000000 ]  - [   0.0025812500000000, -0.0000739100000000, -0.0001965500000000 ]  - [   0.0025978700000000,  0.0000005800000000, -0.0002119900000000 ]  - [   0.0025817600000000,  0.0000726000000000, -0.0001967400000000 ]  - [   0.0025651600000000,  0.0000014200000000, -0.0001810700000000 ]  - [  -0.0025824400000000, -0.0000788300000000,  0.0001976000000000 ]  - [  -0.0025433700000000, -0.0000185400000000,  0.0001560100000000 ]  - [  -0.0025816600000000,  0.0001065500000000,  0.0001961900000000 ]  - [  -0.0026208300000000, -0.0000191000000000,  0.0002369900000000 ]  - [  -0.0025797600000000, -0.0003318200000000,  0.0001934700000000 ]  - [  -0.0023874800000000,  0.0000940000000000,  0.0002319400000000 ]  - [  -0.0025803400000000,  0.0001576200000000,  0.0001944600000000 ]  - [  -0.0027732900000000,  0.0000936300000000,  0.0001571700000000 ]  - [  -0.0025802100000000, -0.0001054100000000,  0.0001926100000000 ]  - [  -0.0025938300000000,  0.0000192300000000,  0.0002148800000000 ]  - [  -0.0025806300000000,  0.0000665100000000,  0.0001929800000000 ]  - [  -0.0025670700000000,  0.0000199000000000,  0.0001703300000000 ]  - [   0.0009438700000000,  0.0005593400000000, -0.0008884500000000 ]  - [   0.0023765200000000,  0.0001791200000000, -0.0002812700000000 ]  - [   0.0027832300000000,  0.0001778400000000, -0.0001044600000000 ]  - [   0.0042037500000000,  0.0005631700000000,  0.0005042700000000 ]  - [   0.0025827700000000, -0.0000755800000000, -0.0001466800000000 ]  - [   0.0025765800000000,  0.0000752500000000, -0.0001511600000000 ]  - [   0.0025855700000000,  0.0000761800000000, -0.0002394700000000 ]  - [   0.0025816900000000, -0.0000755600000000, -0.0002459300000000 ]  - [   0.0025774500000000, -0.0000627800000000, -0.0002268800000000 ]  - [   0.0025842400000000,  0.0000646600000000, -0.0002152900000000 ]  - [   0.0025785300000000,  0.0000641500000000, -0.0001771900000000 ]  - [   0.0025850500000000, -0.0000628400000000, -0.0001670300000000 ]  - [  -0.0070148500000000, -0.0469065700000000, -0.0028008500000000 ]  - [  -0.0090107000000000,  0.0096266600000000, -0.0019249000000000 ]  - [  -0.0063812700000000,  0.0011645500000000, -0.0029544800000000 ]  - [  -0.0037681900000000,  0.0094602100000000, -0.0039767400000000 ]  - [  -0.0063929800000000, -0.0001604400000000, -0.0029678100000000 ]  - [  -0.0063901500000000,  0.0000094100000000, -0.0029204500000000 ]  - [  -0.0063924200000000,  0.0001449100000000, -0.0029669800000000 ]  - [  -0.0063949600000000,  0.0000111300000000, -0.0030139500000000 ]  - [  -0.0063885600000000, -0.0001605600000000, -0.0029857800000000 ]  - [  -0.0063967100000000,  0.0000104500000000, -0.0031621500000000 ]  - [  -0.0063886200000000,  0.0001451100000000, -0.0029851100000000 ]  - [  -0.0063803600000000,  0.0000100600000000, -0.0028084600000000 ]  - [   0.0064508000000000, -0.0002332300000000,  0.0028055700000000 ]  - [   0.0064288600000000,  0.0002384000000000,  0.0029211100000000 ]  - [   0.0063489400000000,  0.0002379800000000,  0.0030480200000000 ]  - [   0.0063280100000000, -0.0002343000000000,  0.0031628700000000 ]  - [   0.0124245000000000,  0.0017761900000000,  0.0111076700000000 ]  - [   0.0067597300000000,  0.0009623800000000,  0.0032741900000000 ]  - [   0.0060300500000000,  0.0009606500000000,  0.0026627500000000 ]  - [   0.0003964700000000,  0.0018053900000000, -0.0051146100000000 ]  - [   0.0063645500000000, -0.0000661200000000,  0.0029945700000000 ]  - [   0.0063751700000000,  0.0000666600000000,  0.0029923000000000 ]  - [   0.0063854500000000,  0.0000672000000000,  0.0029180100000000 ]  - [   0.0063960200000000, -0.0000651200000000,  0.0029146500000000 ]  - [  -0.0062396200000000, -0.0000991200000000, -0.0029171300000000 ]  - [  -0.0063040900000000,  0.0000990800000000, -0.0029291200000000 ]  - [  -0.0064563000000000,  0.0001003000000000, -0.0029812000000000 ]  - [  -0.0065197000000000, -0.0000969100000000, -0.0029913600000000 ]  - [  -0.0060971300000000, -0.0001083700000000, -0.0029803000000000 ]  - [  -0.0063177000000000,  0.0000970800000000, -0.0029493900000000 ]  - [  -0.0064668200000000,  0.0000975200000000, -0.0029848300000000 ]  - [  -0.0066872800000000, -0.0001085900000000, -0.0029545800000000 ]  - [  -0.0063804700000000, -0.0001079400000000, -0.0029701900000000 ]  - [  -0.0064035100000000,  0.0000975300000000, -0.0029981400000000 ]  - [  -0.0063733000000000,  0.0000970900000000, -0.0029716500000000 ]  - [  -0.0063974700000000, -0.0001089300000000, -0.0029995700000000 ]  - [   0.0063865300000000, -0.0002202200000000,  0.0029858800000000 ]  - [   0.0061324400000000, -0.0000297200000000,  0.0029903300000000 ]  - [   0.0063884100000000,  0.0001498500000000,  0.0029845300000000 ]  - [   0.0066432500000000, -0.0000299200000000,  0.0029795000000000 ]  - [   0.0063978500000000, -0.0001105300000000,  0.0029749600000000 ]  - [   0.0062082900000000, -0.0000428400000000,  0.0027168600000000 ]  - [   0.0063925000000000,  0.0002178300000000,  0.0029668800000000 ]  - [   0.0065756000000000, -0.0000380700000000,  0.0032152600000000 ]  - [   0.0063807200000000, -0.0001791100000000,  0.0029552800000000 ]  - [   0.0063980600000000,  0.0000399900000000,  0.0029692900000000 ]  - [   0.0063803500000000,  0.0000974900000000,  0.0029551600000000 ]  - [   0.0063627300000000,  0.0000399600000000,  0.0029406100000000 ]- atom:   97  displacement:    [  -0.0029340404841557,  0.0000000000000000,  0.0095598852732308 ]  forces:  - [  -0.0016685300000000,  0.0000000000000000,  0.0000600200000000 ]  - [  -0.0022075700000000,  0.0001998700000000,  0.0010585200000000 ]  - [  -0.0023473800000000,  0.0000000000000000,  0.0012602700000000 ]  - [  -0.0022075700000000, -0.0001998700000000,  0.0010585200000000 ]  - [   0.0037939300000000,  0.0000000000000000,  0.0276791800000000 ]  - [  -0.0020828700000000, -0.0009280500000000,  0.0024986100000000 ]  - [  -0.0017069800000000,  0.0000000000000000,  0.0016015700000000 ]  - [  -0.0020828700000000,  0.0009280500000000,  0.0024986100000000 ]  - [  -0.0023485000000000,  0.0000000000000000,  0.0011569500000000 ]  - [  -0.0022969600000000, -0.0000888100000000,  0.0011950000000000 ]  - [  -0.0022871700000000,  0.0000000000000000,  0.0012833800000000 ]  - [  -0.0022969600000000,  0.0000888100000000,  0.0011950000000000 ]  - [  -0.0033852200000000, -0.0015986000000000,  0.0047850700000000 ]  - [   0.0026259700000000,  0.0005511900000000, -0.0009746500000000 ]  - [   0.0026259700000000, -0.0005511900000000, -0.0009746500000000 ]  - [  -0.0033852200000000,  0.0015986000000000,  0.0047850700000000 ]  - [   0.0025684100000000, -0.0003232900000000, -0.0020938000000000 ]  - [   0.0022783100000000, -0.0000702300000000, -0.0013705900000000 ]  - [   0.0022783100000000,  0.0000702300000000, -0.0013705900000000 ]  - [   0.0025684100000000,  0.0003232900000000, -0.0020938000000000 ]  - [   0.0022934200000000,  0.0000497800000000, -0.0015428600000000 ]  - [   0.0023376400000000,  0.0000324500000000, -0.0014296400000000 ]  - [   0.0023376400000000, -0.0000324500000000, -0.0014296400000000 ]  - [   0.0022934200000000, -0.0000497800000000, -0.0015428600000000 ]  - [  -0.0022891000000000, -0.0001498500000000,  0.0011321600000000 ]  - [  -0.0023628700000000,  0.0000161400000000,  0.0012575200000000 ]  - [  -0.0023628700000000, -0.0000161400000000,  0.0012575200000000 ]  - [  -0.0022891000000000,  0.0001498500000000,  0.0011321600000000 ]  - [  -0.0028401700000000,  0.0006014500000000,  0.0011671000000000 ]  - [  -0.0024017100000000, -0.0000133200000000,  0.0014078200000000 ]  - [  -0.0024017100000000,  0.0000133200000000,  0.0014078200000000 ]  - [  -0.0028401700000000, -0.0006014500000000,  0.0011671000000000 ]  - [  -0.0023384600000000, -0.0000137800000000,  0.0013079100000000 ]  - [  -0.0023271100000000, -0.0000124600000000,  0.0012910600000000 ]  - [  -0.0023271100000000,  0.0000124600000000,  0.0012910600000000 ]  - [  -0.0023384600000000,  0.0000137800000000,  0.0013079100000000 ]  - [   0.0018829600000000,  0.0000000000000000, -0.0014597300000000 ]  - [   0.0021981700000000,  0.0000042800000000, -0.0013155000000000 ]  - [   0.0022704900000000,  0.0000000000000000, -0.0012852100000000 ]  - [   0.0021981700000000, -0.0000042800000000, -0.0013155000000000 ]  - [   0.0021929100000000,  0.0000000000000000, -0.0013175800000000 ]  - [   0.0022184600000000, -0.0000333900000000, -0.0013837500000000 ]  - [   0.0022693600000000,  0.0000000000000000, -0.0013519000000000 ]  - [   0.0022184600000000,  0.0000333900000000, -0.0013837500000000 ]  - [   0.0027137500000000,  0.0000000000000000, -0.0008579100000000 ]  - [   0.0022705600000000, -0.0000318100000000, -0.0014321300000000 ]  - [   0.0022971400000000,  0.0000000000000000, -0.0013904300000000 ]  - [   0.0022705600000000,  0.0000318100000000, -0.0014321300000000 ]  - [  -0.0028939500000000, -0.0024822000000000,  0.0043063900000000 ]  - [  -0.0025686900000000, -0.0000978100000000,  0.0002839100000000 ]  - [  -0.0025686900000000,  0.0000978100000000,  0.0002839100000000 ]  - [  -0.0028939500000000,  0.0024822000000000,  0.0043063900000000 ]  - [  -0.0050162500000000,  0.0030514900000000,  0.0032308800000000 ]  - [  -0.0026383000000000,  0.0000427600000000,  0.0000487100000000 ]  - [  -0.0026383000000000, -0.0000427600000000,  0.0000487100000000 ]  - [  -0.0050162500000000, -0.0030514900000000,  0.0032308800000000 ]  - [  -0.0026290000000000, -0.0000014300000000,  0.0003193900000000 ]  - [  -0.0026038600000000,  0.0000084900000000,  0.0002800400000000 ]  - [  -0.0026038600000000, -0.0000084900000000,  0.0002800400000000 ]  - [  -0.0026290000000000,  0.0000014300000000,  0.0003193900000000 ]  - [  -0.0021590700000000,  0.0000000000000000,  0.0002307300000000 ]  - [   0.0020940300000000, -0.0003451000000000, -0.0002696500000000 ]  - [   0.0025750100000000,  0.0000000000000000, -0.0003064800000000 ]  - [   0.0020940300000000,  0.0003451000000000, -0.0002696500000000 ]  - [   0.0030155000000000,  0.0000000000000000,  0.0008729300000000 ]  - [   0.0026757800000000,  0.0002056900000000, -0.0000708700000000 ]  - [   0.0025836600000000,  0.0000000000000000, -0.0001491700000000 ]  - [   0.0026757800000000, -0.0002056900000000, -0.0000708700000000 ]  - [   0.0025158700000000,  0.0000000000000000, -0.0000645700000000 ]  - [   0.0025411700000000,  0.0000003900000000, -0.0000858800000000 ]  - [   0.0025615800000000,  0.0000000000000000, -0.0001159700000000 ]  - [   0.0025411700000000, -0.0000003900000000, -0.0000858800000000 ]  - [  -0.0026265900000000,  0.0000000000000000,  0.0002082000000000 ]  - [  -0.0025953500000000,  0.0000093000000000,  0.0001940700000000 ]  - [  -0.0025853600000000,  0.0000000000000000,  0.0001855900000000 ]  - [  -0.0025953500000000, -0.0000093000000000,  0.0001940700000000 ]  - [  -0.0022731000000000,  0.0000000000000000,  0.0002453500000000 ]  - [  -0.0023676100000000,  0.0000450500000000,  0.0002690700000000 ]  - [  -0.0025089600000000,  0.0000000000000000,  0.0001765000000000 ]  - [  -0.0023676100000000, -0.0000450500000000,  0.0002690700000000 ]  - [  -0.0025582300000000,  0.0000000000000000,  0.0002488800000000 ]  - [  -0.0025722300000000,  0.0000159900000000,  0.0002432700000000 ]  - [  -0.0025797800000000,  0.0000000000000000,  0.0002455300000000 ]  - [  -0.0025722300000000, -0.0000159900000000,  0.0002432700000000 ]  - [   0.0030017200000000, -0.0002582700000000,  0.0000417500000000 ]  - [   0.0026738000000000, -0.0000365600000000, -0.0001660600000000 ]  - [   0.0026738000000000,  0.0000365600000000, -0.0001660600000000 ]  - [   0.0030017200000000,  0.0002582700000000,  0.0000417500000000 ]  - [   0.0025899900000000, -0.0000699200000000, -0.0003187900000000 ]  - [   0.0025826000000000,  0.0000006400000000, -0.0002327600000000 ]  - [   0.0025826000000000, -0.0000006400000000, -0.0002327600000000 ]  - [   0.0025899900000000,  0.0000699200000000, -0.0003187900000000 ]  - [   0.0026218900000000,  0.0000385500000000, -0.0001752500000000 ]  - [   0.0025863100000000,  0.0000002100000000, -0.0001395000000000 ]  - [   0.0025863100000000, -0.0000002100000000, -0.0001395000000000 ]  - [   0.0026218900000000, -0.0000385500000000, -0.0001752500000000 ]  - [  -0.0040516700000000,  0.0000000000000000, -0.0521159900000000 ]  - [  -0.0052874500000000, -0.0017649000000000, -0.0044673900000000 ]  - [  -0.0066048800000000,  0.0000000000000000, -0.0032700100000000 ]  - [  -0.0052874500000000,  0.0017649000000000, -0.0044673900000000 ]  - [  -0.0065286400000000,  0.0000000000000000, -0.0027494400000000 ]  - [  -0.0064418200000000,  0.0001671200000000, -0.0028976600000000 ]  - [  -0.0064003400000000,  0.0000000000000000, -0.0029388500000000 ]  - [  -0.0064418200000000, -0.0001671200000000, -0.0028976600000000 ]  - [  -0.0062562400000000,  0.0000000000000000, -0.0026858700000000 ]  - [  -0.0063325300000000, -0.0000439700000000, -0.0028833200000000 ]  - [  -0.0063545900000000,  0.0000000000000000, -0.0029441200000000 ]  - [  -0.0063325300000000,  0.0000439700000000, -0.0028833200000000 ]  - [   0.0062645800000000, -0.0001876600000000,  0.0031169500000000 ]  - [   0.0063743400000000, -0.0000724800000000,  0.0030259600000000 ]  - [   0.0063743400000000,  0.0000724800000000,  0.0030259600000000 ]  - [   0.0062645800000000,  0.0001876600000000,  0.0031169500000000 ]  - [   0.0108906700000000,  0.0059996600000000,  0.0007587700000000 ]  - [   0.0060891100000000,  0.0001852500000000,  0.0025905800000000 ]  - [   0.0060891100000000, -0.0001852500000000,  0.0025905800000000 ]  - [   0.0108906700000000, -0.0059996600000000,  0.0007587700000000 ]  - [   0.0064433700000000,  0.0000429600000000,  0.0031570900000000 ]  - [   0.0064181600000000,  0.0000371600000000,  0.0029899500000000 ]  - [   0.0064181600000000, -0.0000371600000000,  0.0029899500000000 ]  - [   0.0064433700000000, -0.0000429600000000,  0.0031570900000000 ]  - [  -0.0062006100000000,  0.0000056900000000, -0.0026127500000000 ]  - [  -0.0063539600000000, -0.0000024000000000, -0.0029452500000000 ]  - [  -0.0063539600000000,  0.0000024000000000, -0.0029452500000000 ]  - [  -0.0062006100000000, -0.0000056900000000, -0.0026127500000000 ]  - [  -0.0063609000000000, -0.0000115100000000, -0.0029336700000000 ]  - [  -0.0063765000000000,  0.0000082100000000, -0.0029482100000000 ]  - [  -0.0063765000000000, -0.0000082100000000, -0.0029482100000000 ]  - [  -0.0063609000000000,  0.0000115100000000, -0.0029336700000000 ]  - [  -0.0064176800000000,  0.0000979900000000, -0.0029706900000000 ]  - [  -0.0063666300000000,  0.0000046500000000, -0.0029642700000000 ]  - [  -0.0063666300000000, -0.0000046500000000, -0.0029642700000000 ]  - [  -0.0064176800000000, -0.0000979900000000, -0.0029706900000000 ]  - [   0.0059063900000000,  0.0000000000000000,  0.0030523700000000 ]  - [   0.0064366500000000,  0.0000793300000000,  0.0030057300000000 ]  - [   0.0064046300000000,  0.0000000000000000,  0.0030161000000000 ]  - [   0.0064366500000000, -0.0000793300000000,  0.0030057300000000 ]  - [   0.0069953000000000,  0.0000000000000000,  0.0039672400000000 ]  - [   0.0064046400000000, -0.0001849000000000,  0.0030192700000000 ]  - [   0.0064071400000000,  0.0000000000000000,  0.0029615100000000 ]  - [   0.0064046400000000,  0.0001849000000000,  0.0030192700000000 ]  - [   0.0064099300000000,  0.0000000000000000,  0.0029320600000000 ]  - [   0.0064007600000000,  0.0000085100000000,  0.0029686500000000 ]  - [   0.0064001800000000,  0.0000000000000000,  0.0029662800000000 ]  - [   0.0064007600000000, -0.0000085100000000,  0.0029686500000000 ]- atom:   97  displacement:    [   0.0029340404841557,  0.0000000000000000, -0.0095598852732308 ]  forces:  - [  -0.0029652700000000,  0.0000000000000000,  0.0025981300000000 ]  - [  -0.0024198500000000, -0.0002000400000000,  0.0015870900000000 ]  - [  -0.0022804000000000,  0.0000000000000000,  0.0013862000000000 ]  - [  -0.0024198500000000,  0.0002000400000000,  0.0015870900000000 ]  - [  -0.0078748200000000,  0.0000000000000000, -0.0238531800000000 ]  - [  -0.0025476900000000,  0.0009206600000000,  0.0001555200000000 ]  - [  -0.0029181800000000,  0.0000000000000000,  0.0010458000000000 ]  - [  -0.0025476900000000, -0.0009206600000000,  0.0001555200000000 ]  - [  -0.0022925500000000,  0.0000000000000000,  0.0015406800000000 ]  - [  -0.0023433400000000,  0.0000889300000000,  0.0015040800000000 ]  - [  -0.0023539100000000,  0.0000000000000000,  0.0014169000000000 ]  - [  -0.0023433400000000, -0.0000889300000000,  0.0015040800000000 ]  - [   0.0080926300000000,  0.0017014100000000, -0.0074333900000000 ]  - [   0.0020125500000000, -0.0005477200000000, -0.0017235800000000 ]  - [   0.0020125500000000,  0.0005477200000000, -0.0017235800000000 ]  - [   0.0080926300000000, -0.0017014100000000, -0.0074333900000000 ]  - [   0.0020583700000000,  0.0003224600000000, -0.0005587300000000 ]  - [   0.0023502700000000,  0.0000698500000000, -0.0012769100000000 ]  - [   0.0023502700000000, -0.0000698500000000, -0.0012769100000000 ]  - [   0.0020583700000000, -0.0003224600000000, -0.0005587300000000 ]  - [   0.0023353000000000, -0.0000492700000000, -0.0011028700000000 ]  - [   0.0022904700000000, -0.0000321700000000, -0.0012170200000000 ]  - [   0.0022904700000000,  0.0000321700000000, -0.0012170200000000 ]  - [   0.0023353000000000,  0.0000492700000000, -0.0011028700000000 ]  - [  -0.0023401000000000,  0.0001525300000000,  0.0015177100000000 ]  - [  -0.0022668800000000, -0.0000163900000000,  0.0013898200000000 ]  - [  -0.0022668800000000,  0.0000163900000000,  0.0013898200000000 ]  - [  -0.0023401000000000, -0.0001525300000000,  0.0015177100000000 ]  - [  -0.0017894600000000, -0.0005985400000000,  0.0014786000000000 ]  - [  -0.0022268200000000,  0.0000121800000000,  0.0012398000000000 ]  - [  -0.0022268200000000, -0.0000121800000000,  0.0012398000000000 ]  - [  -0.0017894600000000,  0.0005985400000000,  0.0014786000000000 ]  - [  -0.0023011600000000,  0.0000139500000000,  0.0013909400000000 ]  - [  -0.0023128400000000,  0.0000124600000000,  0.0014087400000000 ]  - [  -0.0023128400000000, -0.0000124600000000,  0.0014087400000000 ]  - [  -0.0023011600000000, -0.0000139500000000,  0.0013909400000000 ]  - [   0.0027602700000000,  0.0000000000000000, -0.0012402300000000 ]  - [   0.0024416700000000, -0.0000056700000000, -0.0013841300000000 ]  - [   0.0023709500000000,  0.0000000000000000, -0.0014141500000000 ]  - [   0.0024416700000000,  0.0000056700000000, -0.0013841300000000 ]  - [   0.0024340100000000,  0.0000000000000000, -0.0013304100000000 ]  - [   0.0024105800000000,  0.0000333600000000, -0.0012640400000000 ]  - [   0.0023585200000000,  0.0000000000000000, -0.0012944300000000 ]  - [   0.0024105800000000, -0.0000333600000000, -0.0012640400000000 ]  - [   0.0019068900000000,  0.0000000000000000, -0.0017973600000000 ]  - [   0.0023574300000000,  0.0000325600000000, -0.0012143000000000 ]  - [   0.0023320000000000,  0.0000000000000000, -0.0012561400000000 ]  - [   0.0023574300000000, -0.0000325600000000, -0.0012143000000000 ]  - [  -0.0022562600000000,  0.0025408400000000, -0.0039836800000000 ]  - [  -0.0025945800000000,  0.0000974900000000,  0.0001082300000000 ]  - [  -0.0025945800000000, -0.0000974900000000,  0.0001082300000000 ]  - [  -0.0022562600000000, -0.0025408400000000, -0.0039836800000000 ]  - [  -0.0001759900000000, -0.0029894800000000, -0.0027654200000000 ]  - [  -0.0025247400000000, -0.0000422100000000,  0.0003409100000000 ]  - [  -0.0025247400000000,  0.0000422100000000,  0.0003409100000000 ]  - [  -0.0001759900000000,  0.0029894800000000, -0.0027654200000000 ]  - [  -0.0025329500000000,  0.0000016300000000,  0.0000680500000000 ]  - [  -0.0025579600000000, -0.0000079900000000,  0.0001060900000000 ]  - [  -0.0025579600000000,  0.0000079900000000,  0.0001060900000000 ]  - [  -0.0025329500000000, -0.0000016300000000,  0.0000680500000000 ]  - [   0.0073621100000000,  0.0000000000000000, -0.0006090900000000 ]  - [   0.0030676700000000,  0.0003467200000000, -0.0001175400000000 ]  - [   0.0025870300000000,  0.0000000000000000, -0.0000803100000000 ]  - [   0.0030676700000000, -0.0003467200000000, -0.0001175400000000 ]  - [   0.0021529800000000,  0.0000000000000000, -0.0012472400000000 ]  - [   0.0024875300000000, -0.0002053000000000, -0.0003171100000000 ]  - [   0.0025792100000000,  0.0000000000000000, -0.0002392200000000 ]  - [   0.0024875300000000,  0.0002053000000000, -0.0003171100000000 ]  - [   0.0026473400000000,  0.0000000000000000, -0.0003261900000000 ]  - [   0.0026223600000000, -0.0000011000000000, -0.0003051600000000 ]  - [   0.0026025100000000,  0.0000000000000000, -0.0002758400000000 ]  - [   0.0026223600000000,  0.0000011000000000, -0.0003051600000000 ]  - [  -0.0025374200000000,  0.0000000000000000,  0.0001834100000000 ]  - [  -0.0025684200000000, -0.0000082000000000,  0.0001970000000000 ]  - [  -0.0025778600000000,  0.0000000000000000,  0.0002057300000000 ]  - [  -0.0025684200000000,  0.0000082000000000,  0.0001970000000000 ]  - [  -0.0028891600000000,  0.0000000000000000,  0.0001443600000000 ]  - [  -0.0027930100000000, -0.0000434600000000,  0.0001220600000000 ]  - [  -0.0026524300000000,  0.0000000000000000,  0.0002127400000000 ]  - [  -0.0027930100000000,  0.0000434600000000,  0.0001220600000000 ]  - [  -0.0026025400000000,  0.0000000000000000,  0.0001388300000000 ]  - [  -0.0025892000000000, -0.0000167000000000,  0.0001434800000000 ]  - [  -0.0025821900000000,  0.0000000000000000,  0.0001415300000000 ]  - [  -0.0025892000000000,  0.0000167000000000,  0.0001434800000000 ]  - [   0.0021734400000000,  0.0002515000000000, -0.0004262200000000 ]  - [   0.0024884800000000,  0.0000373600000000, -0.0002202700000000 ]  - [   0.0024884800000000, -0.0000373600000000, -0.0002202700000000 ]  - [   0.0021734400000000, -0.0002515000000000, -0.0004262200000000 ]  - [   0.0025728100000000,  0.0000708900000000, -0.0000705900000000 ]  - [   0.0025798200000000, -0.0000011000000000, -0.0001569200000000 ]  - [   0.0025798200000000,  0.0000011000000000, -0.0001569200000000 ]  - [   0.0025728100000000, -0.0000708900000000, -0.0000705900000000 ]  - [   0.0025401000000000, -0.0000398700000000, -0.0002151000000000 ]  - [   0.0025768400000000, -0.0000001400000000, -0.0002512500000000 ]  - [   0.0025768400000000,  0.0000001400000000, -0.0002512500000000 ]  - [   0.0025401000000000,  0.0000398700000000, -0.0002151000000000 ]  - [  -0.0094920400000000,  0.0000000000000000,  0.0449392100000000 ]  - [  -0.0074622400000000,  0.0017344600000000, -0.0014489800000000 ]  - [  -0.0061566600000000,  0.0000000000000000, -0.0026419100000000 ]  - [  -0.0074622400000000, -0.0017344600000000, -0.0014489800000000 ]  - [  -0.0062551700000000,  0.0000000000000000, -0.0031837900000000 ]  - [  -0.0063430500000000, -0.0001664200000000, -0.0030355000000000 ]  - [  -0.0063847400000000,  0.0000000000000000, -0.0029945800000000 ]  - [  -0.0063430500000000,  0.0001664200000000, -0.0030355000000000 ]  - [  -0.0065226600000000,  0.0000000000000000, -0.0032857800000000 ]  - [  -0.0064446900000000,  0.0000441200000000, -0.0030860300000000 ]  - [  -0.0064224200000000,  0.0000000000000000, -0.0030254100000000 ]  - [  -0.0064446900000000, -0.0000441200000000, -0.0030860300000000 ]  - [   0.0065134700000000,  0.0001898700000000,  0.0028526400000000 ]  - [   0.0064032500000000,  0.0000726800000000,  0.0029429500000000 ]  - [   0.0064032500000000, -0.0000726800000000,  0.0029429500000000 ]  - [   0.0065134700000000, -0.0001898700000000,  0.0028526400000000 ]  - [   0.0019140500000000, -0.0059799800000000,  0.0051339400000000 ]  - [   0.0066955000000000, -0.0001848700000000,  0.0033417300000000 ]  - [   0.0066955000000000,  0.0001848700000000,  0.0033417300000000 ]  - [   0.0019140500000000,  0.0059799800000000,  0.0051339400000000 ]  - [   0.0063190100000000, -0.0000428600000000,  0.0027551500000000 ]  - [   0.0063434800000000, -0.0000371300000000,  0.0029212700000000 ]  - [   0.0063434800000000,  0.0000371300000000,  0.0029212700000000 ]  - [   0.0063190100000000,  0.0000428600000000,  0.0027551500000000 ]  - [  -0.0065599800000000, -0.0000053500000000, -0.0032967200000000 ]  - [  -0.0064074900000000,  0.0000026300000000, -0.0029656100000000 ]  - [  -0.0064074900000000, -0.0000026300000000, -0.0029656100000000 ]  - [  -0.0065599800000000,  0.0000053500000000, -0.0032967200000000 ]  - [  -0.0064237400000000,  0.0000114100000000, -0.0029994900000000 ]  - [  -0.0064084000000000, -0.0000081800000000, -0.0029854200000000 ]  - [  -0.0064084000000000,  0.0000081800000000, -0.0029854200000000 ]  - [  -0.0064237400000000, -0.0000114100000000, -0.0029994900000000 ]  - [  -0.0063580200000000, -0.0000998500000000, -0.0029990800000000 ]  - [  -0.0064101700000000, -0.0000051200000000, -0.0030050200000000 ]  - [  -0.0064101700000000,  0.0000051200000000, -0.0030050200000000 ]  - [  -0.0063580200000000,  0.0000998500000000, -0.0029990800000000 ]  - [   0.0068774800000000,  0.0000000000000000,  0.0029117300000000 ]  - [   0.0063409700000000, -0.0000808700000000,  0.0029642300000000 ]  - [   0.0063728500000000,  0.0000000000000000,  0.0029540200000000 ]  - [   0.0063409700000000,  0.0000808700000000,  0.0029642300000000 ]  - [   0.0057859500000000,  0.0000000000000000,  0.0019761900000000 ]  - [   0.0063802600000000,  0.0001837800000000,  0.0029154100000000 ]  - [   0.0063784300000000,  0.0000000000000000,  0.0029724600000000 ]  - [   0.0063802600000000, -0.0001837800000000,  0.0029154100000000 ]  - [   0.0063511400000000,  0.0000000000000000,  0.0029791500000000 ]  - [   0.0063605400000000, -0.0000086300000000,  0.0029423900000000 ]  - [   0.0063610900000000,  0.0000000000000000,  0.0029446600000000 ]  - [   0.0063605400000000,  0.0000086300000000,  0.0029423900000000 ]