# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/0208b4da-8716-4627-a538-1b487b51d95b/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 UCO5 / Imm2 (44) / materials id 29761](https://mdr.nims.go.jp/datasets/760c0a32-1317-4057-9be5-cb7513e8f7ac)

## 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: "Imm2"  number: 44  Hall_symbol: "I 2 -2"primitive_matrix:- [ -0.500000000000000,  0.500000000000000,  0.500000000000000 ]- [  0.500000000000000, -0.500000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.500000000000000, -0.500000000000000 ]supercell_matrix:- [   2,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   3 ]primitive_cell:  lattice:  - [    -2.416908740000000,     4.650013400000000,     2.133440290000000 ] # a  - [     2.416908740000000,    -4.650013400000000,     2.133440290000000 ] # b  - [     2.416908740000000,     4.650013400000000,    -2.133440290000000 ] # c  points:  - symbol: C  # 1    coordinates: [  0.380453830000000,  0.880453830000000,  0.500000000000000 ]    mass: 12.010700  - symbol: O  # 2    coordinates: [  0.805910850000000,  0.997643940000000,  0.808266910000000 ]    mass: 15.999400  - symbol: O  # 3    coordinates: [  0.075765880000000,  0.575765880000000,  0.500000000000000 ]    mass: 15.999400  - symbol: O  # 4    coordinates: [  0.189377030000000,  0.997643940000000,  0.191733090000000 ]    mass: 15.999400  - symbol: O  # 5    coordinates: [  0.511266280000000,  0.773214010000000,  0.261947730000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.511266280000000,  0.249318550000000,  0.738052270000000 ]    mass: 15.999400  - symbol: U  # 7    coordinates: [  0.995259850000000,  0.995259850000000,  0.000000000000000 ]    mass: 238.028910  reciprocal_lattice: # without 2pi  - [    -0.000000000000000,     0.107526571858911,     0.234363249978747 ] # a*  - [     0.206875829328996,     0.000000000000000,     0.234363249978747 ] # b*  - [     0.206875829328996,     0.107526571858911,     0.000000000000000 ] # c*unit_cell:  lattice:  - [     4.833817480000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     9.300026799999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     4.266880580000000 ] # c  points:  - symbol: C  # 1    coordinates: [  0.500000000000000,  0.000000000000000,  0.380453830000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 2    coordinates: [  0.000000000000000,  0.500000000000000,  0.880453830000000 ]    mass: 12.010700    reduced_to: 1  - symbol: O  # 3    coordinates: [  0.000000000000000,  0.808266910000000,  0.997643940000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.500000000000000,  0.000000000000000,  0.075765880000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.500000000000000,  0.691733090000000,  0.497643940000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.261947730000000,  0.000000000000000,  0.511266280000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.738052270000000,  0.000000000000000,  0.511266280000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.500000000000000,  0.308266910000000,  0.497643940000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 9    coordinates: [  0.000000000000000,  0.500000000000000,  0.575765880000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 10    coordinates: [  0.000000000000000,  0.191733090000000,  0.997643940000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 11    coordinates: [  0.761947730000000,  0.500000000000000,  0.011266280000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 12    coordinates: [  0.238052270000000,  0.500000000000000,  0.011266280000000 ]    mass: 15.999400    reduced_to: 7  - symbol: U  # 13    coordinates: [  0.000000000000000,  0.000000000000000,  0.995259850000000 ]    mass: 238.028910    reduced_to: 13  - symbol: U  # 14    coordinates: [  0.500000000000000,  0.500000000000000,  0.495259850000000 ]    mass: 238.028910    reduced_to: 13supercell:  lattice:  - [     9.667634960000001,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     9.300026799999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.800641740000000 ] # c  points:  - symbol: C  # 1    coordinates: [  0.250000000000000,  0.000000000000000,  0.126817943333333 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 2    coordinates: [  0.750000000000000,  0.000000000000000,  0.126817943333333 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 3    coordinates: [  0.250000000000000,  0.000000000000000,  0.460151276666667 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 4    coordinates: [  0.750000000000000,  0.000000000000000,  0.460151276666667 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 5    coordinates: [  0.250000000000000,  0.000000000000000,  0.793484610000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 6    coordinates: [  0.750000000000000,  0.000000000000000,  0.793484610000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 7    coordinates: [  0.000000000000000,  0.500000000000000,  0.293484610000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 8    coordinates: [  0.500000000000000,  0.500000000000000,  0.293484610000000 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 9    coordinates: [  0.000000000000000,  0.500000000000000,  0.626817943333333 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 10    coordinates: [  0.500000000000000,  0.500000000000000,  0.626817943333333 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 11    coordinates: [  0.000000000000000,  0.500000000000000,  0.960151276666667 ]    mass: 12.010700    reduced_to: 1  - symbol: C  # 12    coordinates: [  0.500000000000000,  0.500000000000000,  0.960151276666667 ]    mass: 12.010700    reduced_to: 1  - symbol: O  # 13    coordinates: [  0.000000000000000,  0.808266910000000,  0.332547980000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.500000000000000,  0.808266910000000,  0.332547980000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 15    coordinates: [  0.000000000000000,  0.808266910000000,  0.665881313333333 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 16    coordinates: [  0.500000000000000,  0.808266910000000,  0.665881313333333 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 17    coordinates: [  0.000000000000000,  0.808266910000000,  0.999214646666667 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 18    coordinates: [  0.500000000000000,  0.808266910000000,  0.999214646666667 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 19    coordinates: [  0.250000000000000,  0.000000000000000,  0.025255293333333 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.750000000000000,  0.000000000000000,  0.025255293333333 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 21    coordinates: [  0.250000000000000,  0.000000000000000,  0.358588626666667 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 22    coordinates: [  0.750000000000000,  0.000000000000000,  0.358588626666667 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 23    coordinates: [  0.250000000000000,  0.000000000000000,  0.691921960000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 24    coordinates: [  0.750000000000000,  0.000000000000000,  0.691921960000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 25    coordinates: [  0.250000000000000,  0.691733090000000,  0.165881313333333 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.750000000000000,  0.691733090000000,  0.165881313333333 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 27    coordinates: [  0.250000000000000,  0.691733090000000,  0.499214646666667 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 28    coordinates: [  0.750000000000000,  0.691733090000000,  0.499214646666667 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 29    coordinates: [  0.250000000000000,  0.691733090000000,  0.832547980000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 30    coordinates: [  0.750000000000000,  0.691733090000000,  0.832547980000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 31    coordinates: [  0.130973865000000,  0.000000000000000,  0.170422093333333 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.630973865000000,  0.000000000000000,  0.170422093333333 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 33    coordinates: [  0.130973865000000,  0.000000000000000,  0.503755426666667 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 34    coordinates: [  0.630973865000000,  0.000000000000000,  0.503755426666667 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 35    coordinates: [  0.130973865000000,  0.000000000000000,  0.837088760000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 36    coordinates: [  0.630973865000000,  0.000000000000000,  0.837088760000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 37    coordinates: [  0.369026135000000,  0.000000000000000,  0.170422093333333 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.869026135000000,  0.000000000000000,  0.170422093333333 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 39    coordinates: [  0.369026135000000,  0.000000000000000,  0.503755426666667 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 40    coordinates: [  0.869026135000000,  0.000000000000000,  0.503755426666667 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 41    coordinates: [  0.369026135000000,  0.000000000000000,  0.837088760000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 42    coordinates: [  0.869026135000000,  0.000000000000000,  0.837088760000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 43    coordinates: [  0.250000000000000,  0.308266910000000,  0.165881313333333 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 44    coordinates: [  0.750000000000000,  0.308266910000000,  0.165881313333333 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 45    coordinates: [  0.250000000000000,  0.308266910000000,  0.499214646666667 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 46    coordinates: [  0.750000000000000,  0.308266910000000,  0.499214646666667 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 47    coordinates: [  0.250000000000000,  0.308266910000000,  0.832547980000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 48    coordinates: [  0.750000000000000,  0.308266910000000,  0.832547980000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 49    coordinates: [  0.000000000000000,  0.500000000000000,  0.191921960000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 50    coordinates: [  0.500000000000000,  0.500000000000000,  0.191921960000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 51    coordinates: [  0.000000000000000,  0.500000000000000,  0.525255293333333 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 52    coordinates: [  0.500000000000000,  0.500000000000000,  0.525255293333333 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 53    coordinates: [  0.000000000000000,  0.500000000000000,  0.858588626666667 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 54    coordinates: [  0.500000000000000,  0.500000000000000,  0.858588626666667 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 55    coordinates: [  0.000000000000000,  0.191733090000000,  0.332547980000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 56    coordinates: [  0.500000000000000,  0.191733090000000,  0.332547980000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 57    coordinates: [  0.000000000000000,  0.191733090000000,  0.665881313333333 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 58    coordinates: [  0.500000000000000,  0.191733090000000,  0.665881313333333 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 59    coordinates: [  0.000000000000000,  0.191733090000000,  0.999214646666667 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 60    coordinates: [  0.500000000000000,  0.191733090000000,  0.999214646666667 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 61    coordinates: [  0.380973865000000,  0.500000000000000,  0.003755426666667 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 62    coordinates: [  0.880973865000000,  0.500000000000000,  0.003755426666667 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 63    coordinates: [  0.380973865000000,  0.500000000000000,  0.337088760000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 64    coordinates: [  0.880973865000000,  0.500000000000000,  0.337088760000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 65    coordinates: [  0.380973865000000,  0.500000000000000,  0.670422093333333 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 66    coordinates: [  0.880973865000000,  0.500000000000000,  0.670422093333333 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 67    coordinates: [  0.119026135000000,  0.500000000000000,  0.003755426666667 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 68    coordinates: [  0.619026135000000,  0.500000000000000,  0.003755426666667 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 69    coordinates: [  0.119026135000000,  0.500000000000000,  0.337088760000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 70    coordinates: [  0.619026135000000,  0.500000000000000,  0.337088760000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 71    coordinates: [  0.119026135000000,  0.500000000000000,  0.670422093333333 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 72    coordinates: [  0.619026135000000,  0.500000000000000,  0.670422093333333 ]    mass: 15.999400    reduced_to: 37  - symbol: U  # 73    coordinates: [  0.000000000000000,  0.000000000000000,  0.331753283333333 ]    mass: 238.028910    reduced_to: 73  - symbol: U  # 74    coordinates: [  0.500000000000000,  0.000000000000000,  0.331753283333333 ]    mass: 238.028910    reduced_to: 73  - symbol: U  # 75    coordinates: [  0.000000000000000,  0.000000000000000,  0.665086616666667 ]    mass: 238.028910    reduced_to: 73  - symbol: U  # 76    coordinates: [  0.500000000000000,  0.000000000000000,  0.665086616666667 ]    mass: 238.028910    reduced_to: 73  - symbol: U  # 77    coordinates: [  0.000000000000000,  0.000000000000000,  0.998419950000000 ]    mass: 238.028910    reduced_to: 73  - symbol: U  # 78    coordinates: [  0.500000000000000,  0.000000000000000,  0.998419950000000 ]    mass: 238.028910    reduced_to: 73  - symbol: U  # 79    coordinates: [  0.250000000000000,  0.500000000000000,  0.165086616666667 ]    mass: 238.028910    reduced_to: 73  - symbol: U  # 80    coordinates: [  0.750000000000000,  0.500000000000000,  0.165086616666667 ]    mass: 238.028910    reduced_to: 73  - symbol: U  # 81    coordinates: [  0.250000000000000,  0.500000000000000,  0.498419950000000 ]    mass: 238.028910    reduced_to: 73  - symbol: U  # 82    coordinates: [  0.750000000000000,  0.500000000000000,  0.498419950000000 ]    mass: 238.028910    reduced_to: 73  - symbol: U  # 83    coordinates: [  0.250000000000000,  0.500000000000000,  0.831753283333333 ]    mass: 238.028910    reduced_to: 73  - symbol: U  # 84    coordinates: [  0.750000000000000,  0.500000000000000,  0.831753283333333 ]    mass: 238.028910    reduced_to: 73born_effective_charge:- # 1 (C)  - [  4.267155710000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  0.859923960000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.635243320000000 ]- # 2 (O)  - [ -0.595952000000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -2.220325170000000, -0.015916880000000 ]  - [ -0.000000000000000, -0.041244020000000, -0.568188270000000 ]- # 3 (O)  - [ -2.790702220000000, -0.000000000000000, -0.000000000000000 ]  - [ -0.000000000000000, -0.342182400000000, -0.000000000000000 ]  - [ -0.000000000000000, -0.000000000000000, -2.037879400000000 ]- # 4 (O)  - [ -0.595952000000000,  0.000000000000000, -0.000000000000000 ]  - [  0.000000000000000, -2.220325170000000,  0.015916880000000 ]  - [  0.000000000000000,  0.041244020000000, -0.568188270000000 ]- # 5 (O)  - [ -2.815503930000000, -0.000000000000000,  0.800584630000000 ]  - [ -0.000000000000000, -0.413236200000000, -0.000000000000000 ]  - [  0.736129890000000, -0.000000000000000, -2.210708990000000 ]- # 6 (O)  - [ -2.815503930000000, -0.000000000000000, -0.800584630000000 ]  - [ -0.000000000000000, -0.413236200000000,  0.000000000000000 ]  - [ -0.736129890000000, -0.000000000000000, -2.210708990000000 ]- # 7 (U)  - [  5.346458360000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  4.749381160000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  4.960430600000000 ]dielectric_constant:  - [  3.999552950000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  2.888000980000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  3.584241760000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.7927850500000000,  0.0000000000000000, -0.0139567600000000 ]  - [   0.0219055700000000,  0.0000000000000000,  0.0002452100000000 ]  - [  -0.0066707000000000,  0.0000000000000000,  0.0003186500000000 ]  - [   0.0070470000000000,  0.0000000000000000,  0.0002768500000000 ]  - [  -0.0066687300000000,  0.0000000000000000,  0.0002951800000000 ]  - [   0.0070446900000000,  0.0000000000000000,  0.0002737100000000 ]  - [   0.0001814800000000,  0.0000000000000000, -0.0003555100000000 ]  - [   0.0001888900000000,  0.0000000000000000,  0.0009195900000000 ]  - [   0.0000002300000000,  0.0000000000000000, -0.0000748600000000 ]  - [  -0.0000011100000000,  0.0000000000000000,  0.0006271600000000 ]  - [   0.0001842100000000,  0.0000000000000000,  0.0010888300000000 ]  - [   0.0001858100000000,  0.0000000000000000, -0.0005443700000000 ]  - [  -0.0016732400000000, -0.0048032500000000,  0.0027003100000000 ]  - [  -0.0016733600000000,  0.0045524800000000, -0.0035468300000000 ]  - [  -0.0000022100000000, -0.0001418100000000, -0.0004139600000000 ]  - [  -0.0000015600000000, -0.0000290900000000, -0.0004321700000000 ]  - [  -0.0015768800000000, -0.0037902100000000, -0.0033247400000000 ]  - [  -0.0015552500000000,  0.0035924900000000,  0.0024881500000000 ]  - [   0.0863748200000000,  0.0000000000000000,  0.0010639600000000 ]  - [  -0.0105434800000000,  0.0000000000000000,  0.0001604900000000 ]  - [   0.0103973200000000,  0.0000000000000000,  0.0000508000000000 ]  - [  -0.0097607400000000,  0.0000000000000000,  0.0001529600000000 ]  - [   0.0021173700000000,  0.0000000000000000,  0.0001533100000000 ]  - [  -0.0021442000000000,  0.0000000000000000,  0.0001609700000000 ]  - [   0.0034277300000000,  0.0001322300000000, -0.0004185900000000 ]  - [  -0.0012152000000000,  0.0000938400000000, -0.0004228100000000 ]  - [   0.0005094200000000,  0.0000894900000000, -0.0004233500000000 ]  - [  -0.0005051500000000,  0.0000921600000000, -0.0004226900000000 ]  - [   0.0004705200000000,  0.0001045700000000, -0.0004242100000000 ]  - [  -0.0004822000000000,  0.0000842200000000, -0.0004227000000000 ]  - [   0.3003628900000000,  0.0000000000000000, -0.1225227200000000 ]  - [  -0.0140213200000000,  0.0000000000000000,  0.0042364800000000 ]  - [   0.0055136600000000,  0.0000000000000000,  0.0013726900000000 ]  - [  -0.0049616900000000,  0.0000000000000000, -0.0008536900000000 ]  - [   0.0055311800000000,  0.0000000000000000, -0.0016113300000000 ]  - [  -0.0045801500000000,  0.0000000000000000,  0.0046162000000000 ]  - [   0.3240165400000000,  0.0000000000000000,  0.1375604200000000 ]  - [  -0.0145227000000000,  0.0000000000000000, -0.0029916500000000 ]  - [   0.0049362500000000,  0.0000000000000000, -0.0001620400000000 ]  - [  -0.0054977700000000,  0.0000000000000000,  0.0020834700000000 ]  - [   0.0050127500000000,  0.0000000000000000,  0.0028181200000000 ]  - [  -0.0051023100000000,  0.0000000000000000, -0.0033564500000000 ]  - [   0.0034277300000000, -0.0001322300000000, -0.0004185900000000 ]  - [  -0.0012152000000000, -0.0000938400000000, -0.0004228100000000 ]  - [   0.0005094200000000, -0.0000894900000000, -0.0004233500000000 ]  - [  -0.0005051500000000, -0.0000921600000000, -0.0004226900000000 ]  - [   0.0004705200000000, -0.0001045700000000, -0.0004242100000000 ]  - [  -0.0004822000000000, -0.0000842200000000, -0.0004227000000000 ]  - [  -0.0000360800000000,  0.0000000000000000,  0.0005994300000000 ]  - [  -0.0000386500000000,  0.0000000000000000, -0.0002981100000000 ]  - [  -0.0000003700000000,  0.0000000000000000,  0.0004738700000000 ]  - [   0.0000007300000000,  0.0000000000000000, -0.0001655200000000 ]  - [  -0.0000229700000000,  0.0000000000000000, -0.0001362300000000 ]  - [  -0.0000170000000000,  0.0000000000000000,  0.0004489500000000 ]  - [  -0.0016732400000000,  0.0048032500000000,  0.0027003100000000 ]  - [  -0.0016733600000000, -0.0045524800000000, -0.0035468300000000 ]  - [  -0.0000022100000000,  0.0001418100000000, -0.0004139600000000 ]  - [  -0.0000015600000000,  0.0000290900000000, -0.0004321700000000 ]  - [  -0.0015768800000000,  0.0037902100000000, -0.0033247400000000 ]  - [  -0.0015552500000000, -0.0035924900000000,  0.0024881500000000 ]  - [   0.0006555700000000,  0.0000000000000000,  0.0008628700000000 ]  - [  -0.0002279300000000,  0.0000000000000000,  0.0004675000000000 ]  - [   0.0009389100000000,  0.0000000000000000,  0.0004019800000000 ]  - [  -0.0004981300000000,  0.0000000000000000,  0.0008453300000000 ]  - [   0.0005126900000000,  0.0000000000000000,  0.0005255900000000 ]  - [   0.0000227500000000,  0.0000000000000000,  0.0007044900000000 ]  - [   0.0001222600000000,  0.0000000000000000,  0.0003814600000000 ]  - [  -0.0007608400000000,  0.0000000000000000,  0.0007691500000000 ]  - [   0.0004048400000000,  0.0000000000000000,  0.0008251400000000 ]  - [  -0.0010386300000000,  0.0000000000000000,  0.0003820500000000 ]  - [  -0.0000231100000000,  0.0000000000000000,  0.0007055800000000 ]  - [  -0.0005117500000000,  0.0000000000000000,  0.0005287100000000 ]  - [   0.0233567100000000,  0.0000000000000000, -0.0383450300000000 ]  - [   0.0235497300000000,  0.0000000000000000,  0.0368478600000000 ]  - [  -0.0000395000000000,  0.0000000000000000, -0.0012396400000000 ]  - [  -0.0000463000000000,  0.0000000000000000, -0.0003898900000000 ]  - [   0.0296650900000000,  0.0000000000000000,  0.0420812600000000 ]  - [   0.0297987700000000,  0.0000000000000000, -0.0442913800000000 ]  - [  -0.0050053200000000,  0.0000000000000000, -0.0008236300000000 ]  - [   0.0041419300000000,  0.0000000000000000, -0.0008184800000000 ]  - [  -0.0020164100000000,  0.0000000000000000, -0.0008119600000000 ]  - [   0.0019706700000000,  0.0000000000000000, -0.0008142000000000 ]  - [  -0.0020026600000000,  0.0000000000000000, -0.0008190800000000 ]  - [   0.0019590400000000,  0.0000000000000000, -0.0008165700000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000, -0.1935124500000000,  0.0003757600000000 ]  - [   0.0000000000000000, -0.0003765900000000,  0.0002925900000000 ]  - [   0.0000000000000000,  0.0001819200000000,  0.0002693000000000 ]  - [   0.0000000000000000, -0.0000225900000000,  0.0002693200000000 ]  - [   0.0000000000000000,  0.0001837900000000,  0.0002874200000000 ]  - [   0.0000000000000000, -0.0000227500000000,  0.0002795100000000 ]  - [  -0.0000246300000000,  0.0001078900000000,  0.0002966600000000 ]  - [   0.0000246300000000,  0.0001078900000000,  0.0002966600000000 ]  - [  -0.0000024200000000,  0.0000013600000000,  0.0002800600000000 ]  - [   0.0000024200000000,  0.0000013600000000,  0.0002800600000000 ]  - [  -0.0000291100000000,  0.0001075900000000,  0.0002635500000000 ]  - [   0.0000291100000000,  0.0001075900000000,  0.0002635500000000 ]  - [  -0.0001286700000000, -0.0001311200000000, -0.0007913000000000 ]  - [   0.0001286700000000, -0.0001311200000000, -0.0007913000000000 ]  - [  -0.0000024400000000, -0.0000901100000000, -0.0004240400000000 ]  - [   0.0000024400000000, -0.0000901100000000, -0.0004240400000000 ]  - [  -0.0001148300000000,  0.0006759600000000, -0.0007125300000000 ]  - [   0.0001148300000000,  0.0006759600000000, -0.0007125300000000 ]  - [   0.0000000000000000,  0.0701107800000000,  0.0009157800000000 ]  - [   0.0000000000000000,  0.0000249900000000,  0.0001508200000000 ]  - [   0.0000000000000000,  0.0002494000000000,  0.0001684900000000 ]  - [   0.0000000000000000,  0.0000828100000000,  0.0001621300000000 ]  - [   0.0000000000000000,  0.0000623300000000,  0.0001563100000000 ]  - [   0.0000000000000000,  0.0000076500000000,  0.0001578700000000 ]  - [   0.0000000000000000, -0.0085471500000000,  0.0003694000000000 ]  - [   0.0000000000000000,  0.0000500000000000, -0.0004119800000000 ]  - [   0.0000000000000000,  0.0000110100000000, -0.0003798600000000 ]  - [   0.0000000000000000,  0.0000959800000000, -0.0004214700000000 ]  - [   0.0000000000000000,  0.0000403000000000, -0.0004931200000000 ]  - [   0.0000000000000000,  0.0000766600000000, -0.0004351600000000 ]  - [   0.0010917500000000,  0.0647253100000000,  0.0002266000000000 ]  - [   0.0002733900000000, -0.0003946500000000,  0.0006099800000000 ]  - [   0.0002548100000000,  0.0000164300000000,  0.0006306300000000 ]  - [   0.0002582500000000, -0.0000570300000000,  0.0006277400000000 ]  - [   0.0002541400000000, -0.0003818700000000,  0.0005994300000000 ]  - [   0.0002639000000000,  0.0000035100000000,  0.0006110800000000 ]  - [  -0.0010917500000000,  0.0647253100000000,  0.0002266000000000 ]  - [  -0.0002733900000000, -0.0003946500000000,  0.0006099800000000 ]  - [  -0.0002548100000000,  0.0000164300000000,  0.0006306300000000 ]  - [  -0.0002582500000000, -0.0000570300000000,  0.0006277400000000 ]  - [  -0.0002541400000000, -0.0003818700000000,  0.0005994300000000 ]  - [  -0.0002639000000000,  0.0000035100000000,  0.0006110800000000 ]  - [   0.0000000000000000, -0.0090566100000000, -0.0012571400000000 ]  - [   0.0000000000000000, -0.0001713600000000, -0.0004352100000000 ]  - [   0.0000000000000000, -0.0002086300000000, -0.0004718700000000 ]  - [   0.0000000000000000, -0.0001316800000000, -0.0004282200000000 ]  - [   0.0000000000000000, -0.0001971200000000, -0.0003489300000000 ]  - [   0.0000000000000000, -0.0001562200000000, -0.0004105700000000 ]  - [   0.0000250200000000, -0.0001931700000000,  0.0001493900000000 ]  - [  -0.0000250200000000, -0.0001931700000000,  0.0001493900000000 ]  - [   0.0000006500000000, -0.0000049100000000,  0.0001564500000000 ]  - [  -0.0000006500000000, -0.0000049100000000,  0.0001564500000000 ]  - [   0.0000054100000000, -0.0000018300000000,  0.0001733500000000 ]  - [  -0.0000054100000000, -0.0000018300000000,  0.0001733500000000 ]  - [   0.0001352000000000,  0.0001475400000000, -0.0000656100000000 ]  - [  -0.0001352000000000,  0.0001475400000000, -0.0000656100000000 ]  - [   0.0000017500000000,  0.0001239900000000, -0.0004234300000000 ]  - [  -0.0000017500000000,  0.0001239900000000, -0.0004234300000000 ]  - [   0.0001227800000000,  0.0009588100000000, -0.0001306100000000 ]  - [  -0.0001227800000000,  0.0009588100000000, -0.0001306100000000 ]  - [   0.0002379400000000, -0.0002384400000000,  0.0006463000000000 ]  - [   0.0002681000000000, -0.0000287800000000,  0.0006223400000000 ]  - [   0.0002486000000000, -0.0001577200000000,  0.0006007100000000 ]  - [   0.0002770300000000,  0.0000192500000000,  0.0006072300000000 ]  - [   0.0002590300000000, -0.0000045900000000,  0.0006195900000000 ]  - [   0.0002594400000000, -0.0000020400000000,  0.0006191400000000 ]  - [  -0.0002379400000000, -0.0002384400000000,  0.0006463000000000 ]  - [  -0.0002681000000000, -0.0000287800000000,  0.0006223400000000 ]  - [  -0.0002486000000000, -0.0001577200000000,  0.0006007100000000 ]  - [  -0.0002770300000000,  0.0000192500000000,  0.0006072300000000 ]  - [  -0.0002590300000000, -0.0000045900000000,  0.0006195900000000 ]  - [  -0.0002594400000000, -0.0000020400000000,  0.0006191400000000 ]  - [   0.0000235100000000,  0.0015443700000000, -0.0008746500000000 ]  - [  -0.0000235100000000,  0.0015443700000000, -0.0008746500000000 ]  - [   0.0000018500000000, -0.0000485500000000, -0.0008328100000000 ]  - [  -0.0000018500000000, -0.0000485500000000, -0.0008328100000000 ]  - [   0.0000681200000000, -0.0047148200000000, -0.0007756600000000 ]  - [  -0.0000681200000000, -0.0047148200000000, -0.0007756600000000 ]  - [   0.0000000000000000,  0.0161957200000000, -0.0008343100000000 ]  - [   0.0000000000000000,  0.0002359700000000, -0.0008352600000000 ]  - [   0.0000000000000000,  0.0003082200000000, -0.0008077900000000 ]  - [   0.0000000000000000,  0.0000400400000000, -0.0008172200000000 ]  - [   0.0000000000000000,  0.0003732200000000, -0.0008495500000000 ]  - [   0.0000000000000000,  0.0001076000000000, -0.0008362100000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000, -0.6484741000000001 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0090536600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0096760200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0028411600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0096057000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0028569500000000 ]  - [  -0.0008192900000000,  0.0000000000000000, -0.0004022900000000 ]  - [   0.0008192900000000,  0.0000000000000000, -0.0004022900000000 ]  - [   0.0003493200000000,  0.0000000000000000,  0.0021342500000000 ]  - [  -0.0003493200000000,  0.0000000000000000,  0.0021342500000000 ]  - [   0.0006312100000000,  0.0000000000000000, -0.0004017200000000 ]  - [  -0.0006312100000000,  0.0000000000000000, -0.0004017200000000 ]  - [   0.0014091400000000,  0.0012322500000000, -0.0019255200000000 ]  - [  -0.0014091400000000,  0.0012322500000000, -0.0019255200000000 ]  - [  -0.0000853900000000, -0.0003890700000000, -0.0011923400000000 ]  - [   0.0000853900000000, -0.0003890700000000, -0.0011923400000000 ]  - [  -0.0033621300000000, -0.0028856600000000,  0.0007101800000000 ]  - [   0.0033621300000000, -0.0028856600000000,  0.0007101800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.3241891400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0056157300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0086029500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0017676400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0044350700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0022879500000000 ]  - [   0.0000000000000000,  0.0025944300000000,  0.0018622800000000 ]  - [   0.0000000000000000,  0.0003905800000000,  0.0002377400000000 ]  - [   0.0000000000000000,  0.0010404100000000, -0.0010092200000000 ]  - [   0.0000000000000000,  0.0006477200000000, -0.0008241500000000 ]  - [   0.0000000000000000, -0.0022396300000000, -0.0012787700000000 ]  - [   0.0000000000000000, -0.0005410300000000, -0.0006925200000000 ]  - [  -0.1241827900000000,  0.0000000000000000,  0.1553835500000000 ]  - [  -0.0045061100000000,  0.0000000000000000,  0.0071961700000000 ]  - [   0.0035530100000000,  0.0000000000000000, -0.0050167700000000 ]  - [   0.0008958900000000,  0.0000000000000000, -0.0020709200000000 ]  - [  -0.0003705300000000,  0.0000000000000000, -0.0049344400000000 ]  - [   0.0016241500000000,  0.0000000000000000, -0.0016948200000000 ]  - [   0.1241827900000000,  0.0000000000000000,  0.1553835500000000 ]  - [   0.0045061100000000,  0.0000000000000000,  0.0071961700000000 ]  - [  -0.0035530100000000,  0.0000000000000000, -0.0050167700000000 ]  - [  -0.0008958900000000,  0.0000000000000000, -0.0020709200000000 ]  - [   0.0003705300000000,  0.0000000000000000, -0.0049344400000000 ]  - [  -0.0016241500000000,  0.0000000000000000, -0.0016948200000000 ]  - [   0.0000000000000000, -0.0025944300000000,  0.0018622800000000 ]  - [   0.0000000000000000, -0.0003905800000000,  0.0002377400000000 ]  - [   0.0000000000000000, -0.0010404100000000, -0.0010092200000000 ]  - [   0.0000000000000000, -0.0006477200000000, -0.0008241500000000 ]  - [   0.0000000000000000,  0.0022396300000000, -0.0012787700000000 ]  - [   0.0000000000000000,  0.0005410300000000, -0.0006925200000000 ]  - [   0.0005202900000000,  0.0000000000000000,  0.0007559100000000 ]  - [  -0.0005202900000000,  0.0000000000000000,  0.0007559100000000 ]  - [   0.0000255700000000,  0.0000000000000000, -0.0011959800000000 ]  - [  -0.0000255700000000,  0.0000000000000000, -0.0011959800000000 ]  - [  -0.0004219900000000,  0.0000000000000000,  0.0007000500000000 ]  - [   0.0004219900000000,  0.0000000000000000,  0.0007000500000000 ]  - [   0.0014091400000000, -0.0012322500000000, -0.0019255200000000 ]  - [  -0.0014091400000000, -0.0012322500000000, -0.0019255200000000 ]  - [  -0.0000853900000000,  0.0003890700000000, -0.0011923400000000 ]  - [   0.0000853900000000,  0.0003890700000000, -0.0011923400000000 ]  - [  -0.0033621300000000,  0.0028856600000000,  0.0007101800000000 ]  - [   0.0033621300000000,  0.0028856600000000,  0.0007101800000000 ]  - [   0.0000427400000000,  0.0000000000000000,  0.0020012900000000 ]  - [  -0.0005039600000000,  0.0000000000000000,  0.0016418400000000 ]  - [  -0.0001725200000000,  0.0000000000000000,  0.0007745400000000 ]  - [   0.0006729700000000,  0.0000000000000000,  0.0007306400000000 ]  - [   0.0009477900000000,  0.0000000000000000, -0.0010142100000000 ]  - [   0.0005791300000000,  0.0000000000000000, -0.0005774600000000 ]  - [  -0.0000427400000000,  0.0000000000000000,  0.0020012900000000 ]  - [   0.0005039600000000,  0.0000000000000000,  0.0016418400000000 ]  - [   0.0001725200000000,  0.0000000000000000,  0.0007745400000000 ]  - [  -0.0006729700000000,  0.0000000000000000,  0.0007306400000000 ]  - [  -0.0009477900000000,  0.0000000000000000, -0.0010142100000000 ]  - [  -0.0005791300000000,  0.0000000000000000, -0.0005774600000000 ]  - [  -0.0182552600000000,  0.0000000000000000,  0.0170864500000000 ]  - [   0.0182552600000000,  0.0000000000000000,  0.0170864500000000 ]  - [   0.0008845000000000,  0.0000000000000000,  0.0073651700000000 ]  - [  -0.0008845000000000,  0.0000000000000000,  0.0073651700000000 ]  - [   0.0457947500000000,  0.0000000000000000, -0.0093793500000000 ]  - [  -0.0457947500000000,  0.0000000000000000, -0.0093793500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0058662900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0044646000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0018574500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0012264800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0012476700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0007120700000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000,  0.6781029400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0096458700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0090435900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0023174400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0091147700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0023007800000000 ]  - [   0.0008137400000000,  0.0000000000000000,  0.0009583800000000 ]  - [  -0.0008137400000000,  0.0000000000000000,  0.0009583800000000 ]  - [  -0.0003530100000000,  0.0000000000000000, -0.0015877000000000 ]  - [   0.0003530100000000,  0.0000000000000000, -0.0015877000000000 ]  - [  -0.0006450300000000,  0.0000000000000000,  0.0009582700000000 ]  - [   0.0006450300000000,  0.0000000000000000,  0.0009582700000000 ]  - [  -0.0014088100000000, -0.0014738100000000,  0.0010893700000000 ]  - [   0.0014088100000000, -0.0014738100000000,  0.0010893700000000 ]  - [   0.0000861300000000,  0.0001576600000000,  0.0003480900000000 ]  - [  -0.0000861300000000,  0.0001576600000000,  0.0003480900000000 ]  - [   0.0033612000000000,  0.0026092600000000, -0.0015774200000000 ]  - [  -0.0033612000000000,  0.0026092600000000, -0.0015774200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.3547760100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0053353800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0088457400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0020938900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0047758000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0026160500000000 ]  - [   0.0000000000000000, -0.0023307600000000, -0.0027122200000000 ]  - [   0.0000000000000000, -0.0001691900000000, -0.0010863400000000 ]  - [   0.0000000000000000, -0.0008286600000000,  0.0001636800000000 ]  - [   0.0000000000000000, -0.0004252700000000, -0.0000199700000000 ]  - [   0.0000000000000000,  0.0024640500000000,  0.0004399200000000 ]  - [   0.0000000000000000,  0.0007724300000000, -0.0001539000000000 ]  - [   0.1198393400000000,  0.0000000000000000, -0.1532011000000000 ]  - [   0.0050351800000000,  0.0000000000000000, -0.0059738700000000 ]  - [  -0.0030106200000000,  0.0000000000000000,  0.0062466700000000 ]  - [  -0.0003938500000000,  0.0000000000000000,  0.0033259700000000 ]  - [   0.0008965700000000,  0.0000000000000000,  0.0061806200000000 ]  - [  -0.0011223900000000,  0.0000000000000000,  0.0029475600000000 ]  - [  -0.1198393400000000,  0.0000000000000000, -0.1532011000000000 ]  - [  -0.0050351800000000,  0.0000000000000000, -0.0059738700000000 ]  - [   0.0030106200000000,  0.0000000000000000,  0.0062466700000000 ]  - [   0.0003938500000000,  0.0000000000000000,  0.0033259700000000 ]  - [  -0.0008965700000000,  0.0000000000000000,  0.0061806200000000 ]  - [   0.0011223900000000,  0.0000000000000000,  0.0029475600000000 ]  - [   0.0000000000000000,  0.0023307600000000, -0.0027122200000000 ]  - [   0.0000000000000000,  0.0001691900000000, -0.0010863400000000 ]  - [   0.0000000000000000,  0.0008286600000000,  0.0001636800000000 ]  - [   0.0000000000000000,  0.0004252700000000, -0.0000199700000000 ]  - [   0.0000000000000000, -0.0024640500000000,  0.0004399200000000 ]  - [   0.0000000000000000, -0.0007724300000000, -0.0001539000000000 ]  - [  -0.0005187000000000,  0.0000000000000000, -0.0004453000000000 ]  - [   0.0005187000000000,  0.0000000000000000, -0.0004453000000000 ]  - [  -0.0000234600000000,  0.0000000000000000,  0.0015091700000000 ]  - [   0.0000234600000000,  0.0000000000000000,  0.0015091700000000 ]  - [   0.0004285300000000,  0.0000000000000000, -0.0003932600000000 ]  - [  -0.0004285300000000,  0.0000000000000000, -0.0003932600000000 ]  - [  -0.0014088100000000,  0.0014738100000000,  0.0010893700000000 ]  - [   0.0014088100000000,  0.0014738100000000,  0.0010893700000000 ]  - [   0.0000861300000000, -0.0001576600000000,  0.0003480900000000 ]  - [  -0.0000861300000000, -0.0001576600000000,  0.0003480900000000 ]  - [   0.0033612000000000, -0.0026092600000000, -0.0015774200000000 ]  - [  -0.0033612000000000, -0.0026092600000000, -0.0015774200000000 ]  - [   0.0004628700000000,  0.0000000000000000, -0.0007629000000000 ]  - [   0.0010247200000000,  0.0000000000000000, -0.0004061700000000 ]  - [   0.0006833300000000,  0.0000000000000000,  0.0004675400000000 ]  - [  -0.0001555900000000,  0.0000000000000000,  0.0005094600000000 ]  - [  -0.0004423600000000,  0.0000000000000000,  0.0022638200000000 ]  - [  -0.0000665500000000,  0.0000000000000000,  0.0018215500000000 ]  - [  -0.0004628700000000,  0.0000000000000000, -0.0007629000000000 ]  - [  -0.0010247200000000,  0.0000000000000000, -0.0004061700000000 ]  - [  -0.0006833300000000,  0.0000000000000000,  0.0004675400000000 ]  - [   0.0001555900000000,  0.0000000000000000,  0.0005094600000000 ]  - [   0.0004423600000000,  0.0000000000000000,  0.0022638200000000 ]  - [   0.0000665500000000,  0.0000000000000000,  0.0018215500000000 ]  - [   0.0180830000000000,  0.0000000000000000, -0.0187785800000000 ]  - [  -0.0180830000000000,  0.0000000000000000, -0.0187785800000000 ]  - [  -0.0009025300000000,  0.0000000000000000, -0.0090495500000000 ]  - [   0.0009025300000000,  0.0000000000000000, -0.0090495500000000 ]  - [  -0.0461645300000000,  0.0000000000000000,  0.0077856800000000 ]  - [   0.0461645300000000,  0.0000000000000000,  0.0077856800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0042264900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0028254500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0035241200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0028934600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0029162200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0023655500000000 ]- atom:   13  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0016563300000000, -0.0001308400000000,  0.0016860400000000 ]  - [  -0.0016908800000000,  0.0001345900000000, -0.0011320900000000 ]  - [  -0.0015585800000000, -0.0001133200000000, -0.0031051700000000 ]  - [  -0.0015733500000000,  0.0001223500000000,  0.0036179400000000 ]  - [  -0.0000003300000000, -0.0000030100000000,  0.0001916000000000 ]  - [  -0.0000036200000000,  0.0000021500000000,  0.0003635800000000 ]  - [   0.0034293900000000,  0.0000053800000000,  0.0002783700000000 ]  - [  -0.0012169400000000, -0.0000006200000000,  0.0002777200000000 ]  - [   0.0004725000000000,  0.0000001100000000,  0.0002761000000000 ]  - [  -0.0004844400000000,  0.0000006100000000,  0.0002748200000000 ]  - [   0.0005097700000000, -0.0000001900000000,  0.0002784800000000 ]  - [  -0.0005056000000000, -0.0000003800000000,  0.0002802400000000 ]  - [  -0.0225468100000000,  0.0011174400000000, -0.0004348300000000 ]  - [   0.0005892600000000, -0.0000818600000000, -0.0004224000000000 ]  - [  -0.0001377400000000, -0.0000890700000000, -0.0004225200000000 ]  - [   0.0001173000000000, -0.0000763600000000, -0.0004220500000000 ]  - [  -0.0001376400000000, -0.0000770800000000, -0.0004219800000000 ]  - [   0.0001174000000000, -0.0000932100000000, -0.0004225700000000 ]  - [   0.0001398600000000, -0.0001577200000000, -0.0004529800000000 ]  - [   0.0001505000000000,  0.0001543600000000,  0.0007816600000000 ]  - [   0.0018981800000000,  0.0043869800000000,  0.0025633300000000 ]  - [   0.0018628200000000, -0.0042981200000000, -0.0022062400000000 ]  - [   0.0000054700000000,  0.0000042100000000,  0.0002764900000000 ]  - [  -0.0000017400000000, -0.0000051100000000,  0.0000482200000000 ]  - [   0.0005457100000000, -0.0014685200000000, -0.0011841400000000 ]  - [   0.0005386200000000,  0.0016753900000000,  0.0003269500000000 ]  - [   0.0005456800000000, -0.0014142800000000,  0.0002815900000000 ]  - [   0.0005385000000000,  0.0016125300000000, -0.0011176400000000 ]  - [   0.0000002600000000,  0.0000783400000000, -0.0004259600000000 ]  - [   0.0000000700000000,  0.0001325200000000, -0.0004212500000000 ]  - [   0.0009237400000000,  0.0021176800000000, -0.0008125100000000 ]  - [   0.0009727000000000, -0.0000622700000000,  0.0006462300000000 ]  - [   0.0001661200000000,  0.0015406200000000,  0.0015429800000000 ]  - [   0.0018537400000000,  0.0003852800000000, -0.0003203300000000 ]  - [   0.0001882500000000, -0.0000005700000000,  0.0006378900000000 ]  - [   0.0003546900000000, -0.0000003300000000,  0.0005882100000000 ]  - [   0.0004197000000000,  0.0000640600000000,  0.0005841600000000 ]  - [   0.0004258100000000, -0.0020877900000000,  0.0020721500000000 ]  - [   0.0013229600000000, -0.0003923500000000,  0.0015668600000000 ]  - [  -0.0003420100000000, -0.0015200600000000, -0.0003256600000000 ]  - [  -0.0001892000000000,  0.0000001600000000,  0.0006365400000000 ]  - [  -0.0003548800000000,  0.0000003000000000,  0.0005957800000000 ]  - [   0.0000002700000000, -0.0002912400000000, -0.0004334400000000 ]  - [   0.0000029500000000,  0.0000811600000000, -0.0004095900000000 ]  - [   0.0000005700000000, -0.0002021200000000, -0.0003903000000000 ]  - [   0.0000025900000000, -0.0000195800000000, -0.0004547900000000 ]  - [   0.0000001800000000, -0.0000997100000000, -0.0004247100000000 ]  - [   0.0000003900000000, -0.0001134000000000, -0.0004216800000000 ]  - [  -0.0008243900000000, -0.0000011100000000,  0.0001588200000000 ]  - [   0.0005887100000000, -0.0000006600000000,  0.0001612800000000 ]  - [  -0.0005004700000000, -0.0000012800000000,  0.0001609200000000 ]  - [   0.0004878200000000, -0.0000003300000000,  0.0001632500000000 ]  - [  -0.0001501000000000, -0.0000003000000000,  0.0001626300000000 ]  - [   0.0001495500000000, -0.0000002400000000,  0.0001584200000000 ]  - [  -0.0054258900000000,  0.0001754000000000, -0.0004196200000000 ]  - [   0.0003409600000000,  0.0000810500000000, -0.0004232100000000 ]  - [  -0.0001196000000000,  0.0000911000000000, -0.0004240900000000 ]  - [   0.0000876300000000,  0.0000834100000000, -0.0004231900000000 ]  - [  -0.0001192100000000,  0.0000770600000000, -0.0004225600000000 ]  - [   0.0000874400000000,  0.0000901100000000, -0.0004238000000000 ]  - [   0.0005648000000000, -0.0000113000000000,  0.0004100500000000 ]  - [  -0.0000180000000000,  0.0000146600000000,  0.0008180700000000 ]  - [   0.0009759900000000, -0.0000823100000000,  0.0004097100000000 ]  - [  -0.0007241200000000,  0.0014489500000000,  0.0010563400000000 ]  - [   0.0005775300000000, -0.0000129500000000,  0.0006586100000000 ]  - [  -0.0000370600000000,  0.0000186500000000,  0.0005819100000000 ]  - [  -0.0005643700000000, -0.0000151600000000,  0.0004128500000000 ]  - [   0.0000235100000000,  0.0000110300000000,  0.0008222700000000 ]  - [  -0.0012659700000000, -0.0014657500000000,  0.0001786700000000 ]  - [   0.0004346500000000,  0.0000810000000000,  0.0008243100000000 ]  - [  -0.0005757600000000, -0.0000192700000000,  0.0006505100000000 ]  - [   0.0000334800000000,  0.0000124400000000,  0.0005720100000000 ]  - [   0.0245210300000000, -0.0014362100000000, -0.0008312400000000 ]  - [  -0.0036957900000000, -0.0000028500000000, -0.0008261300000000 ]  - [   0.0011501600000000, -0.0000021500000000, -0.0008244300000000 ]  - [  -0.0008961700000000, -0.0000003500000000, -0.0008262000000000 ]  - [   0.0011436100000000, -0.0000021400000000, -0.0008317700000000 ]  - [  -0.0008154000000000, -0.0000011400000000, -0.0008271000000000 ]  - [  -0.0002651700000000,  0.0019521700000000, -0.0002222200000000 ]  - [  -0.0002680900000000, -0.0019213800000000, -0.0014203500000000 ]  - [  -0.0002979000000000,  0.0018395600000000, -0.0014843100000000 ]  - [  -0.0002991500000000, -0.0018173100000000, -0.0001729100000000 ]  - [   0.0000004900000000,  0.0000261300000000, -0.0008313800000000 ]  - [  -0.0000006100000000, -0.0000256200000000, -0.0008152000000000 ]- atom:   13  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0046661500000000,  0.0000111800000000,  0.0016145800000000 ]  - [   0.0046661500000000,  0.0000111800000000,  0.0016145800000000 ]  - [  -0.0036777800000000,  0.0008313100000000, -0.0024723900000000 ]  - [   0.0036777800000000,  0.0008313100000000, -0.0024723900000000 ]  - [  -0.0000590000000000,  0.0000136700000000,  0.0000062700000000 ]  - [   0.0000590000000000,  0.0000136700000000,  0.0000062700000000 ]  - [   0.0000000000000000, -0.0087749500000000, -0.0021633100000000 ]  - [   0.0000000000000000, -0.0000689100000000,  0.0000045400000000 ]  - [   0.0000000000000000, -0.0000771600000000,  0.0026108600000000 ]  - [   0.0000000000000000, -0.0000398300000000,  0.0009395700000000 ]  - [   0.0000000000000000, -0.0001048000000000, -0.0006467100000000 ]  - [   0.0000000000000000, -0.0000134600000000, -0.0002543600000000 ]  - [   0.0000000000000000, -0.4966570400000000,  0.0024004000000000 ]  - [   0.0000000000000000, -0.0030090300000000, -0.0005438700000000 ]  - [   0.0000000000000000, -0.0024038700000000, -0.0007973300000000 ]  - [   0.0000000000000000, -0.0013044000000000, -0.0003569400000000 ]  - [   0.0000000000000000, -0.0024074600000000,  0.0000362400000000 ]  - [   0.0000000000000000, -0.0012931800000000, -0.0004009000000000 ]  - [   0.0012914500000000,  0.0001574400000000, -0.0019070700000000 ]  - [  -0.0012914500000000,  0.0001574400000000, -0.0019070700000000 ]  - [   0.0084482600000000, -0.0019943500000000,  0.0022677800000000 ]  - [  -0.0084482600000000, -0.0019943500000000,  0.0022677800000000 ]  - [   0.0001072400000000, -0.0000351800000000,  0.0005327600000000 ]  - [  -0.0001072400000000, -0.0000351800000000,  0.0005327600000000 ]  - [  -0.0015220400000000,  0.0020399900000000,  0.0010123300000000 ]  - [   0.0015220400000000,  0.0020399900000000,  0.0010123300000000 ]  - [  -0.0015694600000000,  0.0020498100000000, -0.0017857900000000 ]  - [   0.0015694600000000,  0.0020498100000000, -0.0017857900000000 ]  - [  -0.0000256600000000, -0.0005507700000000, -0.0004331800000000 ]  - [   0.0000256600000000, -0.0005507700000000, -0.0004331800000000 ]  - [   0.0060208900000000, -0.0014658500000000, -0.0069343400000000 ]  - [  -0.0010050600000000, -0.0001013700000000,  0.0001724300000000 ]  - [   0.0035485200000000, -0.0017708300000000,  0.0062573500000000 ]  - [  -0.0031388200000000,  0.0002625900000000,  0.0028506200000000 ]  - [   0.0003325200000000, -0.0000271800000000,  0.0006909100000000 ]  - [   0.0001392500000000, -0.0000041400000000,  0.0007338200000000 ]  - [   0.0010050600000000, -0.0001013700000000,  0.0001724300000000 ]  - [  -0.0060208900000000, -0.0014658500000000, -0.0069343400000000 ]  - [   0.0031388200000000,  0.0002625900000000,  0.0028506200000000 ]  - [  -0.0035485200000000, -0.0017708300000000,  0.0062573500000000 ]  - [  -0.0001392500000000, -0.0000041400000000,  0.0007338200000000 ]  - [  -0.0003325200000000, -0.0000271800000000,  0.0006909100000000 ]  - [   0.0001012500000000,  0.0029269600000000, -0.0005219000000000 ]  - [  -0.0001012500000000,  0.0029269600000000, -0.0005219000000000 ]  - [   0.0001896800000000,  0.0029182900000000, -0.0002874400000000 ]  - [  -0.0001896800000000,  0.0029182900000000, -0.0002874400000000 ]  - [  -0.0000086200000000,  0.0006817300000000, -0.0004314700000000 ]  - [   0.0000086200000000,  0.0006817300000000, -0.0004314700000000 ]  - [   0.0000000000000000,  0.0021464100000000,  0.0012110700000000 ]  - [   0.0000000000000000,  0.0000967300000000,  0.0004120100000000 ]  - [   0.0000000000000000,  0.0009736400000000, -0.0015874000000000 ]  - [   0.0000000000000000,  0.0000952200000000, -0.0003342600000000 ]  - [   0.0000000000000000, -0.0000023700000000,  0.0007057600000000 ]  - [   0.0000000000000000,  0.0000001300000000,  0.0006111500000000 ]  - [   0.0000000000000000, -0.0160385100000000, -0.0012576800000000 ]  - [   0.0000000000000000,  0.0017543900000000, -0.0005144500000000 ]  - [   0.0000000000000000,  0.0009931600000000, -0.0001242600000000 ]  - [   0.0000000000000000,  0.0010687900000000, -0.0002847400000000 ]  - [   0.0000000000000000,  0.0010023100000000, -0.0006593200000000 ]  - [   0.0000000000000000,  0.0010783100000000, -0.0004678900000000 ]  - [  -0.0001013200000000,  0.0000441900000000,  0.0013169300000000 ]  - [   0.0000601700000000,  0.0001158200000000,  0.0014844800000000 ]  - [  -0.0001519900000000,  0.0001993000000000,  0.0006367200000000 ]  - [   0.0017302900000000,  0.0054072200000000,  0.0010357500000000 ]  - [   0.0002980400000000,  0.0000393200000000,  0.0000188100000000 ]  - [   0.0008760900000000,  0.0000073000000000, -0.0004597900000000 ]  - [  -0.0000601700000000,  0.0001158200000000,  0.0014844800000000 ]  - [   0.0001013200000000,  0.0000441900000000,  0.0013169300000000 ]  - [  -0.0017302900000000,  0.0054072200000000,  0.0010357500000000 ]  - [   0.0001519900000000,  0.0001993000000000,  0.0006367200000000 ]  - [  -0.0008760900000000,  0.0000073000000000, -0.0004597900000000 ]  - [  -0.0002980400000000,  0.0000393200000000,  0.0000188100000000 ]  - [   0.0000000000000000,  0.5198448100000000, -0.0000343300000000 ]  - [   0.0000000000000000,  0.0017542200000000,  0.0013169400000000 ]  - [   0.0000000000000000,  0.0022246200000000, -0.0042671100000000 ]  - [   0.0000000000000000,  0.0003458200000000, -0.0029694900000000 ]  - [   0.0000000000000000,  0.0021300100000000,  0.0013144200000000 ]  - [   0.0000000000000000,  0.0003199000000000,  0.0000133700000000 ]  - [   0.0032152700000000, -0.0065835000000000, -0.0041385600000000 ]  - [  -0.0032152700000000, -0.0065835000000000, -0.0041385600000000 ]  - [   0.0028920600000000, -0.0067963500000000,  0.0024033200000000 ]  - [  -0.0028920600000000, -0.0067963500000000,  0.0024033200000000 ]  - [   0.0002446600000000, -0.0001933600000000, -0.0006189500000000 ]  - [  -0.0002446600000000, -0.0001933600000000, -0.0006189500000000 ]- atom:   13  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0046944500000000, -0.0000155800000000, -0.0010881800000000 ]  - [  -0.0046944500000000, -0.0000155800000000, -0.0010881800000000 ]  - [   0.0036937300000000, -0.0008174400000000,  0.0030506100000000 ]  - [  -0.0036937300000000, -0.0008174400000000,  0.0030506100000000 ]  - [   0.0000631900000000, -0.0000133700000000,  0.0005522400000000 ]  - [  -0.0000631900000000, -0.0000133700000000,  0.0005522400000000 ]  - [   0.0000000000000000,  0.0088318900000000,  0.0027513100000000 ]  - [   0.0000000000000000,  0.0000682100000000,  0.0005563900000000 ]  - [   0.0000000000000000,  0.0000761800000000, -0.0020605400000000 ]  - [   0.0000000000000000,  0.0000403800000000, -0.0003812500000000 ]  - [   0.0000000000000000,  0.0001051300000000,  0.0012110800000000 ]  - [   0.0000000000000000,  0.0000142400000000,  0.0008166000000000 ]  - [   0.0000000000000000,  0.4697113600000000, -0.0030768000000000 ]  - [   0.0000000000000000,  0.0028050000000000, -0.0003000600000000 ]  - [   0.0000000000000000,  0.0021935300000000, -0.0000552200000000 ]  - [   0.0000000000000000,  0.0011198000000000, -0.0004892100000000 ]  - [   0.0000000000000000,  0.0022111100000000, -0.0008738400000000 ]  - [   0.0000000000000000,  0.0010912100000000, -0.0004435900000000 ]  - [  -0.0012926300000000, -0.0001521800000000,  0.0022319700000000 ]  - [   0.0012926300000000, -0.0001521800000000,  0.0022319700000000 ]  - [  -0.0083817600000000,  0.0019286100000000, -0.0019583800000000 ]  - [   0.0083817600000000,  0.0019286100000000, -0.0019583800000000 ]  - [  -0.0000960200000000,  0.0000349000000000, -0.0002113600000000 ]  - [   0.0000960200000000,  0.0000349000000000, -0.0002113600000000 ]  - [   0.0015144600000000, -0.0017682800000000, -0.0018511700000000 ]  - [  -0.0015144600000000, -0.0017682800000000, -0.0018511700000000 ]  - [   0.0015635100000000, -0.0017674600000000,  0.0009329800000000 ]  - [  -0.0015635100000000, -0.0017674600000000,  0.0009329800000000 ]  - [   0.0000265100000000,  0.0007847000000000, -0.0004135400000000 ]  - [  -0.0000265100000000,  0.0007847000000000, -0.0004135400000000 ]  - [  -0.0054585600000000,  0.0014130600000000,  0.0081350900000000 ]  - [   0.0015618600000000,  0.0001008400000000,  0.0010583900000000 ]  - [  -0.0029813700000000,  0.0017153700000000, -0.0049816500000000 ]  - [   0.0036837600000000, -0.0002544000000000, -0.0016131100000000 ]  - [   0.0002154900000000,  0.0000275700000000,  0.0005432800000000 ]  - [   0.0004070400000000,  0.0000046800000000,  0.0004901200000000 ]  - [  -0.0015618600000000,  0.0001008400000000,  0.0010583900000000 ]  - [   0.0054585600000000,  0.0014130600000000,  0.0081350900000000 ]  - [  -0.0036837600000000, -0.0002544000000000, -0.0016131100000000 ]  - [   0.0029813700000000,  0.0017153700000000, -0.0049816500000000 ]  - [  -0.0004070400000000,  0.0000046800000000,  0.0004901200000000 ]  - [  -0.0002154900000000,  0.0000275700000000,  0.0005432800000000 ]  - [  -0.0000945900000000, -0.0031492500000000, -0.0003292100000000 ]  - [   0.0000945900000000, -0.0031492500000000, -0.0003292100000000 ]  - [  -0.0001832600000000, -0.0031570000000000, -0.0005508800000000 ]  - [   0.0001832600000000, -0.0031570000000000, -0.0005508800000000 ]  - [   0.0000093700000000, -0.0009198200000000, -0.0004133800000000 ]  - [  -0.0000093700000000, -0.0009198200000000, -0.0004133800000000 ]  - [   0.0000000000000000, -0.0021710500000000, -0.0009192600000000 ]  - [   0.0000000000000000, -0.0000956600000000, -0.0000952300000000 ]  - [   0.0000000000000000, -0.0009695400000000,  0.0019160600000000 ]  - [   0.0000000000000000, -0.0000938600000000,  0.0006558500000000 ]  - [   0.0000000000000000,  0.0000027600000000, -0.0003891000000000 ]  - [   0.0000000000000000, -0.0000000100000000, -0.0002964000000000 ]  - [   0.0000000000000000,  0.0158388100000000,  0.0004025000000000 ]  - [   0.0000000000000000, -0.0015646800000000, -0.0003305500000000 ]  - [   0.0000000000000000, -0.0007897500000000, -0.0007210600000000 ]  - [   0.0000000000000000, -0.0008895600000000, -0.0005622800000000 ]  - [   0.0000000000000000, -0.0008087700000000, -0.0001888800000000 ]  - [   0.0000000000000000, -0.0008666900000000, -0.0003792300000000 ]  - [   0.0006513800000000, -0.0000433500000000, -0.0000884500000000 ]  - [   0.0004901800000000, -0.0001145000000000, -0.0002582300000000 ]  - [   0.0007065700000000, -0.0001970000000000,  0.0005915900000000 ]  - [  -0.0012353200000000, -0.0054914900000000,  0.0001952700000000 ]  - [   0.0002547500000000, -0.0000383100000000,  0.0012119300000000 ]  - [  -0.0003274700000000, -0.0000062600000000,  0.0016939100000000 ]  - [  -0.0004901800000000, -0.0001145000000000, -0.0002582300000000 ]  - [  -0.0006513800000000, -0.0000433500000000, -0.0000884500000000 ]  - [   0.0012353200000000, -0.0054914900000000,  0.0001952700000000 ]  - [  -0.0007065700000000, -0.0001970000000000,  0.0005915900000000 ]  - [   0.0003274700000000, -0.0000062600000000,  0.0016939100000000 ]  - [  -0.0002547500000000, -0.0000383100000000,  0.0012119300000000 ]  - [   0.0000000000000000, -0.4922922900000000, -0.0017786100000000 ]  - [   0.0000000000000000, -0.0017436800000000, -0.0029637900000000 ]  - [   0.0000000000000000, -0.0021962500000000,  0.0026274500000000 ]  - [   0.0000000000000000, -0.0003387600000000,  0.0013366600000000 ]  - [   0.0000000000000000, -0.0021070900000000, -0.0029772600000000 ]  - [   0.0000000000000000, -0.0003203200000000, -0.0016700200000000 ]  - [  -0.0032410000000000,  0.0065274300000000,  0.0025141400000000 ]  - [   0.0032410000000000,  0.0065274300000000,  0.0025141400000000 ]  - [  -0.0029167700000000,  0.0067433300000000, -0.0040783500000000 ]  - [   0.0029167700000000,  0.0067433300000000, -0.0040783500000000 ]  - [  -0.0002444100000000,  0.0001943800000000, -0.0010264700000000 ]  - [   0.0002444100000000,  0.0001943800000000, -0.0010264700000000 ]- atom:   13  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0031152000000000, -0.0003565300000000, -0.0012270400000000 ]  - [  -0.0031152000000000, -0.0003565300000000, -0.0012270400000000 ]  - [  -0.0029168200000000, -0.0002896700000000,  0.0014463400000000 ]  - [   0.0029168200000000, -0.0002896700000000,  0.0014463400000000 ]  - [   0.0000082500000000, -0.0000009700000000, -0.0004911700000000 ]  - [  -0.0000082500000000, -0.0000009700000000, -0.0004911700000000 ]  - [   0.0000000000000000, -0.0008005400000000,  0.0025550000000000 ]  - [   0.0000000000000000, -0.0000116700000000,  0.0009367800000000 ]  - [   0.0000000000000000,  0.0000720700000000, -0.0005842800000000 ]  - [   0.0000000000000000,  0.0000119300000000,  0.0000076100000000 ]  - [   0.0000000000000000, -0.0000465800000000, -0.0003078500000000 ]  - [   0.0000000000000000, -0.0000036900000000, -0.0001231700000000 ]  - [   0.0000000000000000,  0.0038577400000000, -0.0210235400000000 ]  - [   0.0000000000000000, -0.0001965300000000, -0.0006993500000000 ]  - [   0.0000000000000000,  0.0004035700000000,  0.0000557900000000 ]  - [   0.0000000000000000, -0.0000330400000000, -0.0002950100000000 ]  - [   0.0000000000000000, -0.0004455600000000,  0.0000515500000000 ]  - [   0.0000000000000000, -0.0000170000000000, -0.0002952700000000 ]  - [  -0.0004312100000000,  0.0001833700000000,  0.0009078600000000 ]  - [   0.0004312100000000,  0.0001833700000000,  0.0009078600000000 ]  - [   0.0006020300000000,  0.0005418500000000, -0.0006716800000000 ]  - [  -0.0006020300000000,  0.0005418500000000, -0.0006716800000000 ]  - [   0.0001244300000000,  0.0000172100000000,  0.0007385800000000 ]  - [  -0.0001244300000000,  0.0000172100000000,  0.0007385800000000 ]  - [  -0.0006946900000000,  0.0014426300000000, -0.0000962600000000 ]  - [   0.0006946900000000,  0.0014426300000000, -0.0000962600000000 ]  - [   0.0007610100000000, -0.0013472900000000, -0.0000917100000000 ]  - [  -0.0007610100000000, -0.0013472900000000, -0.0000917100000000 ]  - [   0.0000027500000000,  0.0001058200000000, -0.0002803500000000 ]  - [  -0.0000027500000000,  0.0001058200000000, -0.0002803500000000 ]  - [  -0.0018187900000000, -0.0032232800000000,  0.0022929000000000 ]  - [   0.0014482500000000,  0.0000340800000000,  0.0000996500000000 ]  - [   0.0023511200000000,  0.0031814800000000,  0.0004789200000000 ]  - [  -0.0007121700000000, -0.0002025700000000,  0.0006692300000000 ]  - [   0.0000625800000000,  0.0000000100000000,  0.0013554100000000 ]  - [   0.0000500500000000, -0.0000046800000000,  0.0011734500000000 ]  - [  -0.0014482500000000,  0.0000340800000000,  0.0000996500000000 ]  - [   0.0018187900000000, -0.0032232800000000,  0.0022929000000000 ]  - [   0.0007121700000000, -0.0002025700000000,  0.0006692300000000 ]  - [  -0.0023511200000000,  0.0031814800000000,  0.0004789200000000 ]  - [  -0.0000500500000000, -0.0000046800000000,  0.0011734500000000 ]  - [  -0.0000625800000000,  0.0000000100000000,  0.0013554100000000 ]  - [  -0.0000331000000000,  0.0000321600000000, -0.0004975800000000 ]  - [   0.0000331000000000,  0.0000321600000000, -0.0004975800000000 ]  - [   0.0000113700000000, -0.0001844300000000, -0.0004999900000000 ]  - [  -0.0000113700000000, -0.0001844300000000, -0.0004999900000000 ]  - [   0.0000021500000000, -0.0000997400000000, -0.0003006900000000 ]  - [  -0.0000021500000000, -0.0000997400000000, -0.0003006900000000 ]  - [   0.0000000000000000,  0.0008889200000000, -0.0007787300000000 ]  - [   0.0000000000000000,  0.0000275300000000, -0.0003011300000000 ]  - [   0.0000000000000000, -0.0003404700000000,  0.0006739100000000 ]  - [   0.0000000000000000, -0.0000240600000000,  0.0003112300000000 ]  - [   0.0000000000000000, -0.0000052400000000,  0.0005669900000000 ]  - [   0.0000000000000000, -0.0000012200000000,  0.0004888200000000 ]  - [   0.0000000000000000,  0.0010042700000000, -0.0059233500000000 ]  - [   0.0000000000000000,  0.0001525700000000, -0.0006164600000000 ]  - [   0.0000000000000000,  0.0003067200000000, -0.0002844600000000 ]  - [   0.0000000000000000,  0.0001166100000000, -0.0003231200000000 ]  - [   0.0000000000000000, -0.0002253800000000, -0.0002840900000000 ]  - [   0.0000000000000000, -0.0000769100000000, -0.0003237000000000 ]  - [   0.0001392900000000,  0.0000118800000000,  0.0009227900000000 ]  - [   0.0001754600000000,  0.0000420100000000,  0.0009888100000000 ]  - [   0.0004592700000000,  0.0000007100000000,  0.0000219000000000 ]  - [   0.0006010200000000, -0.0000819800000000, -0.0005101700000000 ]  - [   0.0002005000000000, -0.0000110200000000,  0.0009088400000000 ]  - [   0.0000097300000000, -0.0000070200000000,  0.0010643800000000 ]  - [  -0.0001754600000000,  0.0000420100000000,  0.0009888100000000 ]  - [  -0.0001392900000000,  0.0000118800000000,  0.0009227900000000 ]  - [  -0.0006010200000000, -0.0000819800000000, -0.0005101700000000 ]  - [  -0.0004592700000000,  0.0000007100000000,  0.0000219000000000 ]  - [  -0.0000097300000000, -0.0000070200000000,  0.0010643800000000 ]  - [  -0.0002005000000000, -0.0000110200000000,  0.0009088400000000 ]  - [   0.0000000000000000, -0.0044180400000000,  0.0239107000000000 ]  - [   0.0000000000000000,  0.0000568000000000,  0.0012341500000000 ]  - [   0.0000000000000000, -0.0011487400000000, -0.0031121500000000 ]  - [   0.0000000000000000, -0.0000802700000000, -0.0017790700000000 ]  - [   0.0000000000000000,  0.0010960700000000, -0.0032335100000000 ]  - [   0.0000000000000000,  0.0000954500000000, -0.0018667900000000 ]  - [   0.0006589100000000, -0.0017287000000000, -0.0007013900000000 ]  - [  -0.0006589100000000, -0.0017287000000000, -0.0007013900000000 ]  - [  -0.0005688700000000,  0.0018317300000000, -0.0002197900000000 ]  - [   0.0005688700000000,  0.0018317300000000, -0.0002197900000000 ]  - [  -0.0000190700000000,  0.0000052900000000, -0.0017999700000000 ]  - [   0.0000190700000000,  0.0000052900000000, -0.0017999700000000 ]- atom:   13  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0031306100000000,  0.0003708200000000,  0.0017874100000000 ]  - [   0.0031306100000000,  0.0003708200000000,  0.0017874100000000 ]  - [   0.0028907900000000,  0.0002938900000000, -0.0008388000000000 ]  - [  -0.0028907900000000,  0.0002938900000000, -0.0008388000000000 ]  - [  -0.0000089300000000, -0.0000004000000000,  0.0010472600000000 ]  - [   0.0000089300000000, -0.0000004000000000,  0.0010472600000000 ]  - [   0.0000000000000000,  0.0008253800000000, -0.0020199800000000 ]  - [   0.0000000000000000,  0.0000103100000000, -0.0003879500000000 ]  - [   0.0000000000000000, -0.0000720100000000,  0.0011334100000000 ]  - [   0.0000000000000000, -0.0000119400000000,  0.0005450500000000 ]  - [   0.0000000000000000,  0.0000473000000000,  0.0008630200000000 ]  - [   0.0000000000000000,  0.0000030800000000,  0.0006798700000000 ]  - [   0.0000000000000000, -0.0016202100000000,  0.0201976500000000 ]  - [   0.0000000000000000,  0.0000326200000000, -0.0001448800000000 ]  - [   0.0000000000000000, -0.0005423200000000, -0.0008979100000000 ]  - [   0.0000000000000000, -0.0001054600000000, -0.0005525100000000 ]  - [   0.0000000000000000,  0.0002894100000000, -0.0009009200000000 ]  - [   0.0000000000000000, -0.0001656500000000, -0.0005520200000000 ]  - [   0.0004291700000000, -0.0001887100000000, -0.0005849300000000 ]  - [  -0.0004291700000000, -0.0001887100000000, -0.0005849300000000 ]  - [  -0.0006543800000000, -0.0005360100000000,  0.0009685400000000 ]  - [   0.0006543800000000, -0.0005360100000000,  0.0009685400000000 ]  - [  -0.0001185000000000, -0.0000178200000000, -0.0004076700000000 ]  - [   0.0001185000000000, -0.0000178200000000, -0.0004076700000000 ]  - [   0.0007041900000000, -0.0012504400000000, -0.0007557900000000 ]  - [  -0.0007041900000000, -0.0012504400000000, -0.0007557900000000 ]  - [  -0.0007496900000000,  0.0015337000000000, -0.0007518400000000 ]  - [   0.0007496900000000,  0.0015337000000000, -0.0007518400000000 ]  - [  -0.0000019100000000,  0.0000955700000000, -0.0005680100000000 ]  - [   0.0000019100000000,  0.0000955700000000, -0.0005680100000000 ]  - [   0.0023879900000000,  0.0032768100000000, -0.0010782600000000 ]  - [  -0.0009159100000000, -0.0000364500000000,  0.0011420300000000 ]  - [  -0.0017668100000000, -0.0031232100000000,  0.0007558800000000 ]  - [   0.0012572300000000,  0.0001970500000000,  0.0005505000000000 ]  - [   0.0004873600000000, -0.0000006200000000, -0.0001282200000000 ]  - [   0.0004973600000000,  0.0000038600000000,  0.0000482700000000 ]  - [   0.0009159100000000, -0.0000364500000000,  0.0011420300000000 ]  - [  -0.0023879900000000,  0.0032768100000000, -0.0010782600000000 ]  - [  -0.0012572300000000,  0.0001970500000000,  0.0005505000000000 ]  - [   0.0017668100000000, -0.0031232100000000,  0.0007558800000000 ]  - [  -0.0004973600000000,  0.0000038600000000,  0.0000482700000000 ]  - [  -0.0004873600000000, -0.0000006200000000, -0.0001282200000000 ]  - [   0.0000315800000000, -0.0002314000000000, -0.0003456700000000 ]  - [  -0.0000315800000000, -0.0002314000000000, -0.0003456700000000 ]  - [  -0.0000121200000000, -0.0000151900000000, -0.0003484900000000 ]  - [   0.0000121200000000, -0.0000151900000000, -0.0003484900000000 ]  - [  -0.0000017800000000, -0.0000977700000000, -0.0005470300000000 ]  - [   0.0000017800000000, -0.0000977700000000, -0.0005470300000000 ]  - [   0.0000000000000000, -0.0009064800000000,  0.0011120700000000 ]  - [   0.0000000000000000, -0.0000284500000000,  0.0006354700000000 ]  - [   0.0000000000000000,  0.0003338300000000, -0.0003415900000000 ]  - [   0.0000000000000000,  0.0000225600000000,  0.0000186400000000 ]  - [   0.0000000000000000,  0.0000044100000000, -0.0002381000000000 ]  - [   0.0000000000000000,  0.0000004600000000, -0.0001649200000000 ]  - [   0.0000000000000000, -0.0006572800000000,  0.0050840200000000 ]  - [   0.0000000000000000, -0.0000146900000000, -0.0002294600000000 ]  - [   0.0000000000000000, -0.0001381900000000, -0.0005653600000000 ]  - [   0.0000000000000000,  0.0000520900000000, -0.0005259800000000 ]  - [   0.0000000000000000,  0.0003853200000000, -0.0005638000000000 ]  - [   0.0000000000000000,  0.0002247500000000, -0.0005260700000000 ]  - [   0.0004060300000000, -0.0000122800000000,  0.0003047800000000 ]  - [   0.0003710200000000, -0.0000430200000000,  0.0002376300000000 ]  - [   0.0000892300000000, -0.0000014600000000,  0.0012077300000000 ]  - [  -0.0000557500000000,  0.0000809000000000,  0.0017420700000000 ]  - [   0.0003469900000000,  0.0000095500000000,  0.0003216800000000 ]  - [   0.0005332200000000,  0.0000059200000000,  0.0001679300000000 ]  - [  -0.0003710200000000, -0.0000430200000000,  0.0002376300000000 ]  - [  -0.0004060300000000, -0.0000122800000000,  0.0003047800000000 ]  - [   0.0000557500000000,  0.0000809000000000,  0.0017420700000000 ]  - [  -0.0000892300000000, -0.0000014600000000,  0.0012077300000000 ]  - [  -0.0005332200000000,  0.0000059200000000,  0.0001679300000000 ]  - [  -0.0003469900000000,  0.0000095500000000,  0.0003216800000000 ]  - [   0.0000000000000000,  0.0015661900000000, -0.0255452900000000 ]  - [   0.0000000000000000, -0.0000745300000000, -0.0029056500000000 ]  - [   0.0000000000000000,  0.0011432000000000,  0.0014530300000000 ]  - [   0.0000000000000000,  0.0000944800000000,  0.0001399200000000 ]  - [   0.0000000000000000, -0.0011195300000000,  0.0015857100000000 ]  - [   0.0000000000000000, -0.0001181800000000,  0.0002125100000000 ]  - [  -0.0006623400000000,  0.0017572000000000, -0.0009500800000000 ]  - [   0.0006623400000000,  0.0017572000000000, -0.0009500800000000 ]  - [   0.0005653300000000, -0.0018004400000000, -0.0014284000000000 ]  - [  -0.0005653300000000, -0.0018004400000000, -0.0014284000000000 ]  - [   0.0000183300000000, -0.0000002700000000,  0.0001524900000000 ]  - [  -0.0000183300000000, -0.0000002700000000,  0.0001524900000000 ]- atom:   19  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0863710800000000,  0.0000000000000000, -0.0003089900000000 ]  - [  -0.0105441400000000,  0.0000000000000000,  0.0002187200000000 ]  - [   0.0021166800000000,  0.0000000000000000,  0.0003027900000000 ]  - [  -0.0021436200000000,  0.0000000000000000,  0.0002865700000000 ]  - [   0.0103990700000000,  0.0000000000000000,  0.0002950000000000 ]  - [  -0.0097609200000000,  0.0000000000000000,  0.0002926200000000 ]  - [  -0.0000252800000000,  0.0000000000000000,  0.0007027000000000 ]  - [  -0.0000144200000000,  0.0000000000000000, -0.0001524600000000 ]  - [   0.0000007800000000,  0.0000000000000000,  0.0002586700000000 ]  - [  -0.0000007800000000,  0.0000000000000000,  0.0003084000000000 ]  - [  -0.0000469600000000,  0.0000000000000000, -0.0002472800000000 ]  - [  -0.0000281500000000,  0.0000000000000000,  0.0007924200000000 ]  - [   0.0001505300000000,  0.0012145300000000, -0.0008612600000000 ]  - [   0.0001398300000000, -0.0013720000000000,  0.0000028900000000 ]  - [   0.0000014400000000,  0.0000217200000000, -0.0003025900000000 ]  - [   0.0000018800000000, -0.0001908600000000, -0.0005499400000000 ]  - [   0.0018668100000000,  0.0082408800000000,  0.0002080100000000 ]  - [   0.0018937000000000, -0.0085892500000000, -0.0010455500000000 ]  - [  -0.1930946700000000,  0.0000000000000000,  0.0006133800000000 ]  - [   0.0180525100000000,  0.0000000000000000,  0.0001907500000000 ]  - [  -0.0027237600000000,  0.0000000000000000,  0.0001376700000000 ]  - [   0.0027212200000000,  0.0000000000000000,  0.0001537600000000 ]  - [  -0.0027236700000000,  0.0000000000000000,  0.0001442600000000 ]  - [   0.0027207300000000,  0.0000000000000000,  0.0001426400000000 ]  - [  -0.0008256600000000,  0.0001328400000000, -0.0004241500000000 ]  - [   0.0005900600000000,  0.0000894700000000, -0.0004199100000000 ]  - [  -0.0001494400000000,  0.0001068800000000, -0.0004251400000000 ]  - [   0.0001486800000000,  0.0000910500000000, -0.0004247700000000 ]  - [  -0.0005011600000000,  0.0000962700000000, -0.0004225200000000 ]  - [   0.0004881300000000,  0.0000840800000000, -0.0004249100000000 ]  - [   0.0231085800000000,  0.0000000000000000, -0.0688853100000000 ]  - [   0.0069382500000000,  0.0000000000000000,  0.0006619300000000 ]  - [  -0.0012955700000000,  0.0000000000000000,  0.0005422200000000 ]  - [   0.0019158800000000,  0.0000000000000000,  0.0008616800000000 ]  - [  -0.0046673200000000,  0.0000000000000000,  0.0075374400000000 ]  - [   0.0062534600000000,  0.0000000000000000, -0.0047952200000000 ]  - [   0.0222478800000000,  0.0000000000000000,  0.0705289100000000 ]  - [   0.0064512600000000,  0.0000000000000000,  0.0006416200000000 ]  - [  -0.0018375500000000,  0.0000000000000000,  0.0006556900000000 ]  - [   0.0013879000000000,  0.0000000000000000,  0.0003447900000000 ]  - [  -0.0051951300000000,  0.0000000000000000, -0.0064099500000000 ]  - [   0.0056981500000000,  0.0000000000000000,  0.0059684900000000 ]  - [  -0.0008256600000000, -0.0001328400000000, -0.0004241500000000 ]  - [   0.0005900600000000, -0.0000894700000000, -0.0004199100000000 ]  - [  -0.0001494400000000, -0.0001068800000000, -0.0004251400000000 ]  - [   0.0001486800000000, -0.0000910500000000, -0.0004247700000000 ]  - [  -0.0005011600000000, -0.0000962700000000, -0.0004225200000000 ]  - [   0.0004881300000000, -0.0000840800000000, -0.0004249100000000 ]  - [   0.0000106700000000,  0.0000000000000000, -0.0001636800000000 ]  - [   0.0000002400000000,  0.0000000000000000,  0.0004891300000000 ]  - [  -0.0000010300000000,  0.0000000000000000,  0.0001109700000000 ]  - [   0.0000009900000000,  0.0000000000000000,  0.0002011600000000 ]  - [   0.0000069600000000,  0.0000000000000000,  0.0003565900000000 ]  - [   0.0000036900000000,  0.0000000000000000, -0.0000275200000000 ]  - [   0.0001505300000000, -0.0012145300000000, -0.0008612600000000 ]  - [   0.0001398300000000,  0.0013720000000000,  0.0000028900000000 ]  - [   0.0000014400000000, -0.0000217200000000, -0.0003025900000000 ]  - [   0.0000018800000000,  0.0001908600000000, -0.0005499400000000 ]  - [   0.0018668100000000, -0.0082408800000000,  0.0002080100000000 ]  - [   0.0018937000000000,  0.0085892500000000, -0.0010455500000000 ]  - [  -0.0001086800000000,  0.0000000000000000,  0.0005250300000000 ]  - [   0.0006678500000000,  0.0000000000000000,  0.0006903400000000 ]  - [  -0.0000046500000000,  0.0000000000000000,  0.0007454100000000 ]  - [   0.0005467700000000,  0.0000000000000000,  0.0004847400000000 ]  - [   0.0001599600000000,  0.0000000000000000,  0.0005941300000000 ]  - [   0.0003719600000000,  0.0000000000000000,  0.0006297600000000 ]  - [  -0.0006243500000000,  0.0000000000000000,  0.0007250600000000 ]  - [   0.0001363500000000,  0.0000000000000000,  0.0005493900000000 ]  - [  -0.0005313700000000,  0.0000000000000000,  0.0004851200000000 ]  - [   0.0000085500000000,  0.0000000000000000,  0.0007507000000000 ]  - [  -0.0003737700000000,  0.0000000000000000,  0.0006310100000000 ]  - [  -0.0001592300000000,  0.0000000000000000,  0.0005954900000000 ]  - [  -0.0041925100000000,  0.0000000000000000,  0.0071979800000000 ]  - [  -0.0040648800000000,  0.0000000000000000, -0.0087083100000000 ]  - [  -0.0001167200000000,  0.0000000000000000, -0.0022713300000000 ]  - [  -0.0001102200000000,  0.0000000000000000,  0.0006914700000000 ]  - [   0.0181434600000000,  0.0000000000000000, -0.0103623300000000 ]  - [   0.0202027700000000,  0.0000000000000000,  0.0084270400000000 ]  - [   0.0021681000000000,  0.0000000000000000, -0.0008406600000000 ]  - [  -0.0020528600000000,  0.0000000000000000, -0.0008440900000000 ]  - [   0.0006467500000000,  0.0000000000000000, -0.0008106300000000 ]  - [  -0.0006415800000000,  0.0000000000000000, -0.0008147500000000 ]  - [   0.0018253500000000,  0.0000000000000000, -0.0008241400000000 ]  - [  -0.0018096300000000,  0.0000000000000000, -0.0008172800000000 ]- atom:   19  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000,  0.0701174400000000, -0.0008782100000000 ]  - [   0.0000000000000000,  0.0000257600000000,  0.0002723800000000 ]  - [   0.0000000000000000,  0.0000621500000000,  0.0002903100000000 ]  - [   0.0000000000000000,  0.0000075500000000,  0.0002833600000000 ]  - [   0.0000000000000000,  0.0002510800000000,  0.0002909400000000 ]  - [   0.0000000000000000,  0.0000834600000000,  0.0002830600000000 ]  - [   0.0000024700000000, -0.0000021600000000,  0.0002759700000000 ]  - [  -0.0000024700000000, -0.0000021600000000,  0.0002759700000000 ]  - [   0.0000011100000000, -0.0000048000000000,  0.0002830600000000 ]  - [  -0.0000011100000000, -0.0000048000000000,  0.0002830600000000 ]  - [   0.0000066300000000, -0.0001948000000000,  0.0002804500000000 ]  - [  -0.0000066300000000, -0.0001948000000000,  0.0002804500000000 ]  - [  -0.0001553000000000,  0.0000616600000000, -0.0002380900000000 ]  - [   0.0001553000000000,  0.0000616600000000, -0.0002380900000000 ]  - [   0.0000045600000000, -0.0001549700000000, -0.0004078800000000 ]  - [  -0.0000045600000000, -0.0001549700000000, -0.0004078800000000 ]  - [   0.0043127600000000, -0.0020778200000000,  0.0001127400000000 ]  - [  -0.0043127600000000, -0.0020778200000000,  0.0001127400000000 ]  - [   0.0000000000000000, -0.0410494200000000,  0.0016491400000000 ]  - [   0.0000000000000000, -0.0003330600000000,  0.0001610100000000 ]  - [   0.0000000000000000,  0.0001930700000000,  0.0001410300000000 ]  - [   0.0000000000000000, -0.0000352200000000,  0.0001510400000000 ]  - [   0.0000000000000000,  0.0001939000000000,  0.0001539100000000 ]  - [   0.0000000000000000, -0.0000345300000000,  0.0001566300000000 ]  - [   0.0000000000000000,  0.0022504600000000, -0.0013111000000000 ]  - [   0.0000000000000000,  0.0002210900000000, -0.0004506600000000 ]  - [   0.0000000000000000,  0.0001399200000000, -0.0004207600000000 ]  - [   0.0000000000000000,  0.0001212400000000, -0.0004252400000000 ]  - [   0.0000000000000000,  0.0010769000000000, -0.0000884800000000 ]  - [   0.0000000000000000,  0.0002056300000000, -0.0004006900000000 ]  - [   0.0003633800000000, -0.0223759500000000,  0.0004507200000000 ]  - [   0.0002528300000000,  0.0000586100000000,  0.0006312800000000 ]  - [   0.0002598900000000, -0.0000295900000000,  0.0006106200000000 ]  - [   0.0002574500000000,  0.0000274200000000,  0.0006117800000000 ]  - [   0.0002629600000000, -0.0011605400000000,  0.0006185700000000 ]  - [   0.0002612600000000,  0.0000696400000000,  0.0006193100000000 ]  - [  -0.0003633800000000, -0.0223759500000000,  0.0004507200000000 ]  - [  -0.0002528300000000,  0.0000586100000000,  0.0006312800000000 ]  - [  -0.0002598900000000, -0.0000295900000000,  0.0006106200000000 ]  - [  -0.0002574500000000,  0.0000274200000000,  0.0006117800000000 ]  - [  -0.0002629600000000, -0.0011605400000000,  0.0006185700000000 ]  - [  -0.0002612600000000,  0.0000696400000000,  0.0006193100000000 ]  - [   0.0000000000000000,  0.0020599100000000,  0.0004841000000000 ]  - [   0.0000000000000000, -0.0000328700000000, -0.0003951300000000 ]  - [   0.0000000000000000, -0.0001543800000000, -0.0004284300000000 ]  - [   0.0000000000000000, -0.0001217200000000, -0.0004248700000000 ]  - [   0.0000000000000000,  0.0008620100000000, -0.0007629400000000 ]  - [   0.0000000000000000, -0.0000138200000000, -0.0004475100000000 ]  - [  -0.0000016800000000,  0.0000540500000000,  0.0001590600000000 ]  - [   0.0000016800000000,  0.0000540500000000,  0.0001590600000000 ]  - [  -0.0000038700000000, -0.0000014700000000,  0.0001545800000000 ]  - [   0.0000038700000000, -0.0000014700000000,  0.0001545800000000 ]  - [  -0.0000026400000000,  0.0000532800000000,  0.0001559000000000 ]  - [   0.0000026400000000,  0.0000532800000000,  0.0001559000000000 ]  - [   0.0001559400000000,  0.0002523200000000, -0.0006105700000000 ]  - [  -0.0001559400000000,  0.0002523200000000, -0.0006105700000000 ]  - [  -0.0000052500000000,  0.0000760500000000, -0.0004426600000000 ]  - [   0.0000052500000000,  0.0000760500000000, -0.0004426600000000 ]  - [  -0.0043715200000000, -0.0018453600000000, -0.0009673700000000 ]  - [   0.0043715200000000, -0.0018453600000000, -0.0009673700000000 ]  - [   0.0002613400000000,  0.0002316700000000,  0.0006197600000000 ]  - [   0.0002556700000000,  0.0000466500000000,  0.0006210400000000 ]  - [   0.0002606900000000,  0.0000191100000000,  0.0006192500000000 ]  - [   0.0002571100000000, -0.0000061200000000,  0.0006213300000000 ]  - [   0.0002617400000000,  0.0000149000000000,  0.0006199500000000 ]  - [   0.0002585800000000,  0.0000033100000000,  0.0006182700000000 ]  - [  -0.0002613400000000,  0.0002316700000000,  0.0006197600000000 ]  - [  -0.0002556700000000,  0.0000466500000000,  0.0006210400000000 ]  - [  -0.0002606900000000,  0.0000191100000000,  0.0006192500000000 ]  - [  -0.0002571100000000, -0.0000061200000000,  0.0006213300000000 ]  - [  -0.0002617400000000,  0.0000149000000000,  0.0006199500000000 ]  - [  -0.0002585800000000,  0.0000033100000000,  0.0006182700000000 ]  - [  -0.0000244200000000, -0.0015558800000000, -0.0008035800000000 ]  - [   0.0000244200000000, -0.0015558800000000, -0.0008035800000000 ]  - [   0.0000025500000000,  0.0000929100000000, -0.0008199500000000 ]  - [  -0.0000025500000000,  0.0000929100000000, -0.0008199500000000 ]  - [   0.0001107400000000,  0.0135210400000000, -0.0008443500000000 ]  - [  -0.0001107400000000,  0.0135210400000000, -0.0008443500000000 ]  - [   0.0000000000000000, -0.0038658100000000, -0.0008400600000000 ]  - [   0.0000000000000000, -0.0002389000000000, -0.0008324500000000 ]  - [   0.0000000000000000,  0.0000074500000000, -0.0008313800000000 ]  - [   0.0000000000000000, -0.0000118100000000, -0.0008278400000000 ]  - [   0.0000000000000000, -0.0020895400000000, -0.0008232700000000 ]  - [   0.0000000000000000, -0.0002442800000000, -0.0008262600000000 ]- atom:   19  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000,  0.3552192400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0057893700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0043394900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0021853700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0084889900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0016586100000000 ]  - [   0.0002897200000000,  0.0000000000000000,  0.0008309800000000 ]  - [  -0.0002897200000000,  0.0000000000000000,  0.0008309800000000 ]  - [  -0.0003210000000000,  0.0000000000000000, -0.0010793800000000 ]  - [   0.0003210000000000,  0.0000000000000000, -0.0010793800000000 ]  - [  -0.0004536300000000,  0.0000000000000000,  0.0008755900000000 ]  - [   0.0004536300000000,  0.0000000000000000,  0.0008755900000000 ]  - [  -0.0006197200000000, -0.0021704700000000,  0.0003288700000000 ]  - [   0.0006197200000000, -0.0021704700000000,  0.0003288700000000 ]  - [   0.0001134800000000,  0.0002758800000000,  0.0001542400000000 ]  - [  -0.0001134800000000,  0.0002758800000000,  0.0001542400000000 ]  - [   0.0023901000000000,  0.0020104600000000, -0.0012407600000000 ]  - [  -0.0023901000000000,  0.0020104600000000, -0.0012407600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.5248684400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0039328300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0036129200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0018445100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0036379600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0018500200000000 ]  - [   0.0000000000000000, -0.0009499500000000, -0.0013787800000000 ]  - [   0.0000000000000000, -0.0001692900000000, -0.0008941100000000 ]  - [   0.0000000000000000, -0.0004537600000000, -0.0000194000000000 ]  - [   0.0000000000000000, -0.0003703900000000, -0.0000956700000000 ]  - [   0.0000000000000000,  0.0018517000000000,  0.0000885500000000 ]  - [   0.0000000000000000,  0.0005847400000000, -0.0002731600000000 ]  - [  -0.0635108700000000,  0.0000000000000000,  0.0720072700000000 ]  - [   0.0023505700000000,  0.0000000000000000, -0.0037969000000000 ]  - [  -0.0010982800000000,  0.0000000000000000,  0.0040546200000000 ]  - [  -0.0001940200000000,  0.0000000000000000,  0.0035134000000000 ]  - [   0.0070851400000000,  0.0000000000000000,  0.0135942800000000 ]  - [  -0.0003319100000000,  0.0000000000000000,  0.0019857200000000 ]  - [   0.0635108700000000,  0.0000000000000000,  0.0720072700000000 ]  - [  -0.0023505700000000,  0.0000000000000000, -0.0037969000000000 ]  - [   0.0010982800000000,  0.0000000000000000,  0.0040546200000000 ]  - [   0.0001940200000000,  0.0000000000000000,  0.0035134000000000 ]  - [  -0.0070851400000000,  0.0000000000000000,  0.0135942800000000 ]  - [   0.0003319100000000,  0.0000000000000000,  0.0019857200000000 ]  - [   0.0000000000000000,  0.0009499500000000, -0.0013787800000000 ]  - [   0.0000000000000000,  0.0001692900000000, -0.0008941100000000 ]  - [   0.0000000000000000,  0.0004537600000000, -0.0000194000000000 ]  - [   0.0000000000000000,  0.0003703900000000, -0.0000956700000000 ]  - [   0.0000000000000000, -0.0018517000000000,  0.0000885500000000 ]  - [   0.0000000000000000, -0.0005847400000000, -0.0002731600000000 ]  - [  -0.0001914800000000,  0.0000000000000000, -0.0002839500000000 ]  - [   0.0001914800000000,  0.0000000000000000, -0.0002839500000000 ]  - [   0.0000434600000000,  0.0000000000000000,  0.0011334400000000 ]  - [  -0.0000434600000000,  0.0000000000000000,  0.0011334400000000 ]  - [   0.0003260300000000,  0.0000000000000000, -0.0002791100000000 ]  - [  -0.0003260300000000,  0.0000000000000000, -0.0002791100000000 ]  - [  -0.0006197200000000,  0.0021704700000000,  0.0003288700000000 ]  - [   0.0006197200000000,  0.0021704700000000,  0.0003288700000000 ]  - [   0.0001134800000000, -0.0002758800000000,  0.0001542400000000 ]  - [  -0.0001134800000000, -0.0002758800000000,  0.0001542400000000 ]  - [   0.0023901000000000, -0.0020104600000000, -0.0012407600000000 ]  - [  -0.0023901000000000, -0.0020104600000000, -0.0012407600000000 ]  - [   0.0003725300000000,  0.0000000000000000, -0.0003069100000000 ]  - [   0.0008131600000000,  0.0000000000000000, -0.0001373100000000 ]  - [   0.0003985200000000,  0.0000000000000000,  0.0004959700000000 ]  - [   0.0001084300000000,  0.0000000000000000,  0.0004858300000000 ]  - [  -0.0002707500000000,  0.0000000000000000,  0.0017724700000000 ]  - [   0.0000807600000000,  0.0000000000000000,  0.0014630900000000 ]  - [  -0.0003725300000000,  0.0000000000000000, -0.0003069100000000 ]  - [  -0.0008131600000000,  0.0000000000000000, -0.0001373100000000 ]  - [  -0.0003985200000000,  0.0000000000000000,  0.0004959700000000 ]  - [  -0.0001084300000000,  0.0000000000000000,  0.0004858300000000 ]  - [   0.0002707500000000,  0.0000000000000000,  0.0017724700000000 ]  - [  -0.0000807600000000,  0.0000000000000000,  0.0014630900000000 ]  - [   0.0087803800000000,  0.0000000000000000, -0.0108842700000000 ]  - [  -0.0087803800000000,  0.0000000000000000, -0.0108842700000000 ]  - [  -0.0014108800000000,  0.0000000000000000, -0.0074372800000000 ]  - [   0.0014108800000000,  0.0000000000000000, -0.0074372800000000 ]  - [  -0.0118034600000000,  0.0000000000000000,  0.0152789200000000 ]  - [   0.0118034600000000,  0.0000000000000000,  0.0152789200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0023442900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0016906700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0027083900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0023975300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0020405200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0017659700000000 ]- atom:   19  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000, -0.3237810600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0051693500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0048691600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0027153100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0089504100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0021967200000000 ]  - [  -0.0002959000000000,  0.0000000000000000, -0.0002680900000000 ]  - [   0.0002959000000000,  0.0000000000000000, -0.0002680900000000 ]  - [   0.0003211700000000,  0.0000000000000000,  0.0016217800000000 ]  - [  -0.0003211700000000,  0.0000000000000000,  0.0016217800000000 ]  - [   0.0004421400000000,  0.0000000000000000, -0.0003286100000000 ]  - [  -0.0004421400000000,  0.0000000000000000, -0.0003286100000000 ]  - [   0.0006144500000000,  0.0019222000000000, -0.0011693400000000 ]  - [  -0.0006144500000000,  0.0019222000000000, -0.0011693400000000 ]  - [  -0.0001135400000000, -0.0005093400000000, -0.0009978800000000 ]  - [   0.0001135400000000, -0.0005093400000000, -0.0009978800000000 ]  - [  -0.0023792400000000, -0.0022544900000000,  0.0004002500000000 ]  - [   0.0023792400000000, -0.0022544900000000,  0.0004002500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.4918995100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0041939200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0033226300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0015201100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0032933800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0015144800000000 ]  - [   0.0000000000000000,  0.0012225100000000,  0.0005126500000000 ]  - [   0.0000000000000000,  0.0003759500000000,  0.0000419500000000 ]  - [   0.0000000000000000,  0.0006787000000000, -0.0008270000000000 ]  - [   0.0000000000000000,  0.0005898700000000, -0.0007503100000000 ]  - [   0.0000000000000000, -0.0016333400000000, -0.0009310800000000 ]  - [   0.0000000000000000, -0.0003489100000000, -0.0005719000000000 ]  - [   0.0627533300000000,  0.0000000000000000, -0.0691938100000000 ]  - [  -0.0018160000000000,  0.0000000000000000,  0.0050107600000000 ]  - [   0.0016117400000000,  0.0000000000000000, -0.0027991100000000 ]  - [   0.0007073900000000,  0.0000000000000000, -0.0022595400000000 ]  - [  -0.0067003300000000,  0.0000000000000000, -0.0126112100000000 ]  - [   0.0008391900000000,  0.0000000000000000, -0.0007215900000000 ]  - [  -0.0627533300000000,  0.0000000000000000, -0.0691938100000000 ]  - [   0.0018160000000000,  0.0000000000000000,  0.0050107600000000 ]  - [  -0.0016117400000000,  0.0000000000000000, -0.0027991100000000 ]  - [  -0.0007073900000000,  0.0000000000000000, -0.0022595400000000 ]  - [   0.0067003300000000,  0.0000000000000000, -0.0126112100000000 ]  - [  -0.0008391900000000,  0.0000000000000000, -0.0007215900000000 ]  - [   0.0000000000000000, -0.0012225100000000,  0.0005126500000000 ]  - [   0.0000000000000000, -0.0003759500000000,  0.0000419500000000 ]  - [   0.0000000000000000, -0.0006787000000000, -0.0008270000000000 ]  - [   0.0000000000000000, -0.0005898700000000, -0.0007503100000000 ]  - [   0.0000000000000000,  0.0016333400000000, -0.0009310800000000 ]  - [   0.0000000000000000,  0.0003489100000000, -0.0005719000000000 ]  - [   0.0001924400000000,  0.0000000000000000,  0.0005878800000000 ]  - [  -0.0001924400000000,  0.0000000000000000,  0.0005878800000000 ]  - [  -0.0000457300000000,  0.0000000000000000, -0.0008167800000000 ]  - [   0.0000457300000000,  0.0000000000000000, -0.0008167800000000 ]  - [  -0.0003239100000000,  0.0000000000000000,  0.0005936700000000 ]  - [   0.0003239100000000,  0.0000000000000000,  0.0005936700000000 ]  - [   0.0006144500000000, -0.0019222000000000, -0.0011693400000000 ]  - [  -0.0006144500000000, -0.0019222000000000, -0.0011693400000000 ]  - [  -0.0001135400000000,  0.0005093400000000, -0.0009978800000000 ]  - [   0.0001135400000000,  0.0005093400000000, -0.0009978800000000 ]  - [  -0.0023792400000000,  0.0022544900000000,  0.0004002500000000 ]  - [   0.0023792400000000,  0.0022544900000000,  0.0004002500000000 ]  - [   0.0001423900000000,  0.0000000000000000,  0.0015466500000000 ]  - [  -0.0002887900000000,  0.0000000000000000,  0.0013732400000000 ]  - [   0.0001245900000000,  0.0000000000000000,  0.0007334700000000 ]  - [   0.0004149600000000,  0.0000000000000000,  0.0007436200000000 ]  - [   0.0007862800000000,  0.0000000000000000, -0.0005258100000000 ]  - [   0.0004353600000000,  0.0000000000000000, -0.0002185400000000 ]  - [  -0.0001423900000000,  0.0000000000000000,  0.0015466500000000 ]  - [   0.0002887900000000,  0.0000000000000000,  0.0013732400000000 ]  - [  -0.0001245900000000,  0.0000000000000000,  0.0007334700000000 ]  - [  -0.0004149600000000,  0.0000000000000000,  0.0007436200000000 ]  - [  -0.0007862800000000,  0.0000000000000000, -0.0005258100000000 ]  - [  -0.0004353600000000,  0.0000000000000000, -0.0002185400000000 ]  - [  -0.0087432400000000,  0.0000000000000000,  0.0091699200000000 ]  - [   0.0087432400000000,  0.0000000000000000,  0.0091699200000000 ]  - [   0.0014090900000000,  0.0000000000000000,  0.0057418300000000 ]  - [  -0.0014090900000000,  0.0000000000000000,  0.0057418300000000 ]  - [   0.0119121300000000,  0.0000000000000000, -0.0169154700000000 ]  - [  -0.0119121300000000,  0.0000000000000000, -0.0169154700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0039700100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0033190700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0010525500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0007368700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003643800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001019900000000 ]- atom:   31  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.3241782500000000,  0.0000000000000000, -0.1287429700000000 ]  - [  -0.0143284500000000,  0.0000000000000000, -0.0044823500000000 ]  - [   0.0052751400000000,  0.0000000000000000, -0.0003226800000000 ]  - [  -0.0048476200000000,  0.0000000000000000,  0.0016529100000000 ]  - [   0.0052335200000000,  0.0000000000000000,  0.0035624100000000 ]  - [  -0.0052383100000000,  0.0000000000000000,  0.0009275900000000 ]  - [   0.0003814700000000,  0.0000000000000000,  0.0000767400000000 ]  - [  -0.0004878900000000,  0.0000000000000000, -0.0004816200000000 ]  - [   0.0002437900000000,  0.0000000000000000,  0.0009770500000000 ]  - [  -0.0002438000000000,  0.0000000000000000,  0.0006035500000000 ]  - [   0.0006643600000000,  0.0000000000000000, -0.0001545000000000 ]  - [  -0.0007618500000000,  0.0000000000000000,  0.0006912500000000 ]  - [   0.0006781500000000,  0.0056025900000000, -0.0025154900000000 ]  - [   0.0006974500000000, -0.0014129000000000,  0.0007713100000000 ]  - [  -0.0000838300000000, -0.0000576000000000, -0.0006294800000000 ]  - [   0.0000828900000000, -0.0002509600000000, -0.0006421700000000 ]  - [  -0.0000888600000000,  0.0031286500000000,  0.0016354300000000 ]  - [   0.0015905600000000, -0.0035572100000000, -0.0014094100000000 ]  - [   0.0226031100000000,  0.0000000000000000, -0.0632855000000000 ]  - [   0.0067116500000000,  0.0000000000000000,  0.0022335600000000 ]  - [  -0.0049446300000000,  0.0000000000000000,  0.0070263300000000 ]  - [   0.0059956300000000,  0.0000000000000000, -0.0004405900000000 ]  - [  -0.0015680800000000,  0.0000000000000000, -0.0012053100000000 ]  - [   0.0016540100000000,  0.0000000000000000, -0.0002997700000000 ]  - [  -0.0010067000000000, -0.0013170600000000, -0.0000892700000000 ]  - [   0.0007069800000000,  0.0005461200000000, -0.0002332500000000 ]  - [  -0.0002917800000000,  0.0003420400000000, -0.0005181100000000 ]  - [   0.0002948100000000,  0.0005000300000000, -0.0005543600000000 ]  - [  -0.0003062800000000, -0.0004780800000000, -0.0006797500000000 ]  - [   0.0003053300000000,  0.0000985700000000, -0.0004909000000000 ]  - [  -0.4712707000000000,  0.0000000000000000,  0.2057024700000000 ]  - [   0.0116428700000000,  0.0000000000000000, -0.0003698900000000 ]  - [  -0.0036887300000000,  0.0000000000000000, -0.0008348100000000 ]  - [   0.0038188900000000,  0.0000000000000000, -0.0000216100000000 ]  - [  -0.0036949800000000,  0.0000000000000000,  0.0010742400000000 ]  - [   0.0038200300000000,  0.0000000000000000, -0.0024441400000000 ]  - [   0.0916442800000000,  0.0000000000000000, -0.0033141800000000 ]  - [   0.0254458000000000,  0.0000000000000000,  0.0095638000000000 ]  - [  -0.0025786700000000,  0.0000000000000000,  0.0011650000000000 ]  - [   0.0033836800000000,  0.0000000000000000, -0.0028796700000000 ]  - [  -0.0025775600000000,  0.0000000000000000, -0.0038070700000000 ]  - [   0.0033785400000000,  0.0000000000000000,  0.0037630100000000 ]  - [  -0.0010067000000000,  0.0013170600000000, -0.0000892700000000 ]  - [   0.0007069800000000, -0.0005461200000000, -0.0002332500000000 ]  - [  -0.0002917800000000, -0.0003420400000000, -0.0005181100000000 ]  - [   0.0002948100000000, -0.0005000300000000, -0.0005543600000000 ]  - [  -0.0003062800000000,  0.0004780800000000, -0.0006797500000000 ]  - [   0.0003053300000000, -0.0000985700000000, -0.0004909000000000 ]  - [  -0.0003616300000000,  0.0000000000000000,  0.0002617400000000 ]  - [   0.0003980600000000,  0.0000000000000000,  0.0007009000000000 ]  - [  -0.0001082000000000,  0.0000000000000000, -0.0003782300000000 ]  - [   0.0001081500000000,  0.0000000000000000, -0.0000264400000000 ]  - [  -0.0002666400000000,  0.0000000000000000,  0.0002922400000000 ]  - [   0.0002764200000000,  0.0000000000000000,  0.0000014000000000 ]  - [   0.0006781500000000, -0.0056025900000000, -0.0025154900000000 ]  - [   0.0006974500000000,  0.0014129000000000,  0.0007713100000000 ]  - [  -0.0000838300000000,  0.0000576000000000, -0.0006294800000000 ]  - [   0.0000828900000000,  0.0002509600000000, -0.0006421700000000 ]  - [  -0.0000888600000000, -0.0031286500000000,  0.0016354300000000 ]  - [   0.0015905600000000,  0.0035572100000000, -0.0014094100000000 ]  - [   0.0003551300000000,  0.0000000000000000,  0.0004693800000000 ]  - [   0.0001226700000000,  0.0000000000000000,  0.0009924400000000 ]  - [   0.0001188300000000,  0.0000000000000000,  0.0010049100000000 ]  - [   0.0003650200000000,  0.0000000000000000,  0.0007649300000000 ]  - [   0.0004048900000000,  0.0000000000000000,  0.0002037800000000 ]  - [   0.0004042800000000,  0.0000000000000000,  0.0002553800000000 ]  - [  -0.0008607600000000,  0.0000000000000000,  0.0006866100000000 ]  - [   0.0004357100000000,  0.0000000000000000,  0.0008309300000000 ]  - [  -0.0008646400000000,  0.0000000000000000,  0.0007893600000000 ]  - [   0.0004317600000000,  0.0000000000000000,  0.0009785100000000 ]  - [  -0.0006924300000000,  0.0000000000000000,  0.0001117900000000 ]  - [  -0.0001167000000000,  0.0000000000000000,  0.0003505000000000 ]  - [   0.0087400400000000,  0.0000000000000000, -0.0055682500000000 ]  - [  -0.0101225600000000,  0.0000000000000000, -0.0179398500000000 ]  - [   0.0010037000000000,  0.0000000000000000,  0.0017392400000000 ]  - [  -0.0010166000000000,  0.0000000000000000,  0.0014370900000000 ]  - [   0.0141099600000000,  0.0000000000000000, -0.0099397400000000 ]  - [  -0.0181378300000000,  0.0000000000000000,  0.0116763200000000 ]  - [   0.0025446800000000,  0.0000000000000000, -0.0019763000000000 ]  - [  -0.0022984200000000,  0.0000000000000000, -0.0017452500000000 ]  - [   0.0011415900000000,  0.0000000000000000, -0.0004708900000000 ]  - [  -0.0011286800000000,  0.0000000000000000, -0.0003497000000000 ]  - [   0.0012126900000000,  0.0000000000000000, -0.0000350700000000 ]  - [  -0.0011996500000000,  0.0000000000000000, -0.0003400600000000 ]- atom:   31  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.3002265400000000,  0.0000000000000000,  0.1156181100000000 ]  - [   0.0142119000000000,  0.0000000000000000,  0.0050455000000000 ]  - [  -0.0052712600000000,  0.0000000000000000,  0.0009329400000000 ]  - [   0.0048373400000000,  0.0000000000000000, -0.0011034000000000 ]  - [  -0.0052176900000000,  0.0000000000000000, -0.0030072300000000 ]  - [   0.0052220000000000,  0.0000000000000000, -0.0003673200000000 ]  - [  -0.0003975800000000,  0.0000000000000000,  0.0004877600000000 ]  - [   0.0005015700000000,  0.0000000000000000,  0.0010386900000000 ]  - [  -0.0002438900000000,  0.0000000000000000, -0.0004216000000000 ]  - [   0.0002439400000000,  0.0000000000000000, -0.0000497500000000 ]  - [  -0.0006804000000000,  0.0000000000000000,  0.0006962900000000 ]  - [   0.0007758200000000,  0.0000000000000000, -0.0001436300000000 ]  - [  -0.0006717700000000, -0.0058558500000000,  0.0016858400000000 ]  - [  -0.0006947500000000,  0.0011596000000000, -0.0016033100000000 ]  - [   0.0000837700000000, -0.0001605600000000, -0.0002169900000000 ]  - [  -0.0000830000000000,  0.0000230000000000, -0.0002047900000000 ]  - [   0.0000853600000000, -0.0033924100000000, -0.0024908500000000 ]  - [  -0.0015853600000000,  0.0032910300000000,  0.0005540600000000 ]  - [  -0.0227497300000000,  0.0000000000000000,  0.0629691800000000 ]  - [  -0.0066794800000000,  0.0000000000000000, -0.0019266700000000 ]  - [   0.0049207200000000,  0.0000000000000000, -0.0067468900000000 ]  - [  -0.0059566500000000,  0.0000000000000000,  0.0007393300000000 ]  - [   0.0015656600000000,  0.0000000000000000,  0.0015080500000000 ]  - [  -0.0016507200000000,  0.0000000000000000,  0.0006063200000000 ]  - [   0.0009829200000000,  0.0016222200000000, -0.0007546400000000 ]  - [  -0.0007033600000000, -0.0003260800000000, -0.0006112600000000 ]  - [   0.0002911600000000, -0.0001071300000000, -0.0003283600000000 ]  - [  -0.0002940800000000, -0.0002687600000000, -0.0002909000000000 ]  - [   0.0003049900000000,  0.0007070600000000, -0.0001656100000000 ]  - [  -0.0003043500000000,  0.0001307500000000, -0.0003556200000000 ]  - [   0.4468999800000000,  0.0000000000000000, -0.1901758700000000 ]  - [  -0.0110912300000000,  0.0000000000000000,  0.0015939000000000 ]  - [   0.0042294100000000,  0.0000000000000000,  0.0020723300000000 ]  - [  -0.0032818700000000,  0.0000000000000000,  0.0012605500000000 ]  - [   0.0042224000000000,  0.0000000000000000,  0.0001617400000000 ]  - [  -0.0032812200000000,  0.0000000000000000,  0.0036624700000000 ]  - [  -0.0898656000000000,  0.0000000000000000,  0.0044289400000000 ]  - [  -0.0263507300000000,  0.0000000000000000, -0.0083661300000000 ]  - [   0.0020305800000000,  0.0000000000000000,  0.0000641800000000 ]  - [  -0.0038863500000000,  0.0000000000000000,  0.0041224600000000 ]  - [   0.0020331800000000,  0.0000000000000000,  0.0050271600000000 ]  - [  -0.0038898000000000,  0.0000000000000000, -0.0025248800000000 ]  - [   0.0009829200000000, -0.0016222200000000, -0.0007546400000000 ]  - [  -0.0007033600000000,  0.0003260800000000, -0.0006112600000000 ]  - [   0.0002911600000000,  0.0001071300000000, -0.0003283600000000 ]  - [  -0.0002940800000000,  0.0002687600000000, -0.0002909000000000 ]  - [   0.0003049900000000, -0.0007070600000000, -0.0001656100000000 ]  - [  -0.0003043500000000, -0.0001307500000000, -0.0003556200000000 ]  - [   0.0003748600000000,  0.0000000000000000,  0.0000404800000000 ]  - [  -0.0004103400000000,  0.0000000000000000, -0.0003941700000000 ]  - [   0.0001085200000000,  0.0000000000000000,  0.0006869100000000 ]  - [  -0.0001081000000000,  0.0000000000000000,  0.0003372600000000 ]  - [   0.0002702000000000,  0.0000000000000000,  0.0000245600000000 ]  - [  -0.0002799400000000,  0.0000000000000000,  0.0003138300000000 ]  - [  -0.0006717700000000,  0.0058558500000000,  0.0016858400000000 ]  - [  -0.0006947500000000, -0.0011596000000000, -0.0016033100000000 ]  - [   0.0000837700000000,  0.0001605600000000, -0.0002169900000000 ]  - [  -0.0000830000000000, -0.0000230000000000, -0.0002047900000000 ]  - [   0.0000853600000000,  0.0033924100000000, -0.0024908500000000 ]  - [  -0.0015853600000000, -0.0032910300000000,  0.0005540600000000 ]  - [   0.0001559700000000,  0.0000000000000000,  0.0007773400000000 ]  - [   0.0004058900000000,  0.0000000000000000,  0.0002448400000000 ]  - [   0.0003971300000000,  0.0000000000000000,  0.0002231000000000 ]  - [   0.0001682300000000,  0.0000000000000000,  0.0004632800000000 ]  - [   0.0001196200000000,  0.0000000000000000,  0.0010313600000000 ]  - [   0.0001212600000000,  0.0000000000000000,  0.0009779100000000 ]  - [   0.0003472100000000,  0.0000000000000000,  0.0005654700000000 ]  - [  -0.0009599000000000,  0.0000000000000000,  0.0004096400000000 ]  - [   0.0003469900000000,  0.0000000000000000,  0.0004405300000000 ]  - [  -0.0009624200000000,  0.0000000000000000,  0.0002548200000000 ]  - [   0.0001685000000000,  0.0000000000000000,  0.0011269900000000 ]  - [  -0.0004092900000000,  0.0000000000000000,  0.0008863100000000 ]  - [  -0.0091485600000000,  0.0000000000000000,  0.0045575500000000 ]  - [   0.0100841900000000,  0.0000000000000000,  0.0161131600000000 ]  - [  -0.0010044600000000,  0.0000000000000000, -0.0033836600000000 ]  - [   0.0010187000000000,  0.0000000000000000, -0.0030697600000000 ]  - [  -0.0144327200000000,  0.0000000000000000,  0.0078960000000000 ]  - [   0.0180967700000000,  0.0000000000000000, -0.0132097500000000 ]  - [  -0.0025266600000000,  0.0000000000000000,  0.0003237900000000 ]  - [   0.0022840500000000,  0.0000000000000000,  0.0000930400000000 ]  - [  -0.0011341900000000,  0.0000000000000000, -0.0011578500000000 ]  - [   0.0011246500000000,  0.0000000000000000, -0.0012865400000000 ]  - [  -0.0012052000000000,  0.0000000000000000, -0.0016206100000000 ]  - [   0.0011922500000000,  0.0000000000000000, -0.0013034800000000 ]- atom:   31  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0012113300000000,  0.0647324000000000,  0.0008776200000000 ]  - [   0.0000173600000000, -0.0003917000000000,  0.0002750600000000 ]  - [  -0.0000119200000000, -0.0003809400000000,  0.0002740100000000 ]  - [   0.0000083700000000,  0.0000022200000000,  0.0002748400000000 ]  - [  -0.0000110900000000,  0.0000159900000000,  0.0002661400000000 ]  - [   0.0000079700000000, -0.0000576900000000,  0.0002753500000000 ]  - [   0.0000033900000000, -0.0002410000000000,  0.0002735900000000 ]  - [  -0.0000031900000000, -0.0000315100000000,  0.0002755900000000 ]  - [   0.0000000100000000, -0.0000044500000000,  0.0002754300000000 ]  - [  -0.0000004500000000, -0.0000010800000000,  0.0002752700000000 ]  - [   0.0000041100000000, -0.0001599900000000,  0.0002806200000000 ]  - [  -0.0000034600000000,  0.0000174800000000,  0.0002796300000000 ]  - [   0.0020889800000000, -0.0015217400000000, -0.0036569400000000 ]  - [  -0.0000638800000000, -0.0001734000000000, -0.0003889000000000 ]  - [  -0.0000005800000000, -0.0001144700000000, -0.0004225400000000 ]  - [  -0.0000005700000000, -0.0000718200000000, -0.0004263100000000 ]  - [   0.0015195400000000, -0.0018226200000000,  0.0027075500000000 ]  - [   0.0003858400000000,  0.0001767100000000, -0.0006204200000000 ]  - [  -0.0001428600000000, -0.0223753800000000,  0.0003208800000000 ]  - [  -0.0000118000000000,  0.0000597000000000,  0.0001641800000000 ]  - [   0.0000089100000000, -0.0011611000000000,  0.0001526900000000 ]  - [  -0.0000087400000000,  0.0000689800000000,  0.0001630300000000 ]  - [   0.0000077200000000, -0.0000291300000000,  0.0001724600000000 ]  - [  -0.0000073600000000,  0.0000266800000000,  0.0001701200000000 ]  - [  -0.0014413600000000,  0.0055220100000000, -0.0003432000000000 ]  - [   0.0000802800000000,  0.0003127800000000, -0.0004238000000000 ]  - [  -0.0000146700000000,  0.0002213800000000, -0.0004649600000000 ]  - [   0.0000105400000000,  0.0001413000000000, -0.0004347000000000 ]  - [  -0.0000184800000000,  0.0001068500000000, -0.0004162600000000 ]  - [   0.0000121000000000,  0.0001428700000000, -0.0004127500000000 ]  - [   0.0016880000000000, -0.0424230200000000, -0.0001299300000000 ]  - [   0.0002582400000000,  0.0002233300000000,  0.0006192600000000 ]  - [   0.0002798300000000,  0.0000827100000000,  0.0006162600000000 ]  - [   0.0002657700000000,  0.0000069900000000,  0.0006148400000000 ]  - [   0.0002851200000000,  0.0000823100000000,  0.0006161700000000 ]  - [   0.0002703000000000,  0.0000072900000000,  0.0006169100000000 ]  - [  -0.0004111400000000, -0.0170502700000000,  0.0006412100000000 ]  - [  -0.0002721000000000, -0.0017727200000000,  0.0006095700000000 ]  - [  -0.0002635000000000,  0.0000909100000000,  0.0006179800000000 ]  - [  -0.0002759400000000, -0.0001385200000000,  0.0006117500000000 ]  - [  -0.0002750900000000,  0.0000905700000000,  0.0006235800000000 ]  - [  -0.0002789600000000, -0.0001381000000000,  0.0006187800000000 ]  - [   0.0014730400000000,  0.0053817400000000, -0.0005057500000000 ]  - [  -0.0000821700000000,  0.0000968300000000, -0.0004220800000000 ]  - [   0.0000151600000000,  0.0000195000000000, -0.0003792100000000 ]  - [  -0.0000116500000000, -0.0000639000000000, -0.0004103400000000 ]  - [   0.0000196500000000, -0.0000995200000000, -0.0004288400000000 ]  - [  -0.0000133700000000, -0.0000643100000000, -0.0004326400000000 ]  - [  -0.0000040700000000,  0.0002310600000000,  0.0001653000000000 ]  - [   0.0000039700000000,  0.0000457500000000,  0.0001651200000000 ]  - [  -0.0000003900000000,  0.0000146900000000,  0.0001645700000000 ]  - [   0.0000000700000000,  0.0000035600000000,  0.0001674300000000 ]  - [  -0.0000005100000000,  0.0000175500000000,  0.0001615300000000 ]  - [   0.0000003800000000, -0.0000075600000000,  0.0001603500000000 ]  - [  -0.0021166200000000, -0.0013607300000000,  0.0028415800000000 ]  - [   0.0000628700000000, -0.0000374200000000, -0.0004611700000000 ]  - [  -0.0000001500000000,  0.0000610900000000, -0.0004232100000000 ]  - [   0.0000001700000000,  0.0000652600000000, -0.0004179700000000 ]  - [  -0.0015408300000000, -0.0016657400000000, -0.0035972100000000 ]  - [  -0.0003921500000000,  0.0003351700000000, -0.0002219700000000 ]  - [   0.0002778100000000,  0.0000344300000000,  0.0006098200000000 ]  - [   0.0002725300000000,  0.0000687900000000,  0.0006132200000000 ]  - [   0.0002781100000000,  0.0000688000000000,  0.0006160100000000 ]  - [   0.0002712000000000,  0.0000343500000000,  0.0006158200000000 ]  - [   0.0002762800000000,  0.0000015000000000,  0.0006151000000000 ]  - [   0.0002723600000000,  0.0000014400000000,  0.0006165100000000 ]  - [  -0.0002779300000000,  0.0001478200000000,  0.0006106600000000 ]  - [  -0.0002732400000000, -0.0000010500000000,  0.0006156100000000 ]  - [  -0.0002761100000000,  0.0001477100000000,  0.0006187400000000 ]  - [  -0.0002734400000000, -0.0000010700000000,  0.0006166600000000 ]  - [  -0.0002730900000000,  0.0000027500000000,  0.0006183200000000 ]  - [  -0.0002757800000000,  0.0000003300000000,  0.0006168200000000 ]  - [   0.0000547800000000,  0.0108255900000000, -0.0009274100000000 ]  - [   0.0000153600000000,  0.0002692900000000, -0.0007905800000000 ]  - [  -0.0000001400000000,  0.0000827300000000, -0.0008362500000000 ]  - [   0.0000006600000000,  0.0000233400000000, -0.0008314100000000 ]  - [   0.0000044200000000,  0.0128506700000000, -0.0007523800000000 ]  - [   0.0000420000000000, -0.0020563300000000, -0.0008477700000000 ]  - [  -0.0000062700000000, -0.0064421000000000, -0.0008207200000000 ]  - [   0.0000027700000000, -0.0005231700000000, -0.0008194900000000 ]  - [  -0.0000008400000000, -0.0003013000000000, -0.0008283500000000 ]  - [   0.0000021200000000, -0.0001135200000000, -0.0008273900000000 ]  - [  -0.0000018100000000, -0.0000673600000000, -0.0008230100000000 ]  - [   0.0000009300000000, -0.0000974600000000, -0.0008236600000000 ]- atom:   31  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.1269767600000000,  0.0000000000000000,  0.1540760600000000 ]  - [   0.0036710300000000,  0.0000000000000000,  0.0068756900000000 ]  - [  -0.0022452300000000,  0.0000000000000000, -0.0052758400000000 ]  - [   0.0040326500000000,  0.0000000000000000, -0.0020659700000000 ]  - [   0.0007657500000000,  0.0000000000000000, -0.0053796500000000 ]  - [  -0.0014616000000000,  0.0000000000000000, -0.0024365000000000 ]  - [   0.0002342900000000,  0.0000000000000000,  0.0016756100000000 ]  - [  -0.0001421000000000,  0.0000000000000000,  0.0013112600000000 ]  - [  -0.0000890400000000,  0.0000000000000000, -0.0013748300000000 ]  - [   0.0000890900000000,  0.0000000000000000, -0.0009292100000000 ]  - [  -0.0002206500000000,  0.0000000000000000,  0.0004233200000000 ]  - [   0.0002418000000000,  0.0000000000000000,  0.0003795000000000 ]  - [  -0.0014574400000000, -0.0077291500000000,  0.0012827600000000 ]  - [   0.0000271700000000, -0.0005509400000000, -0.0009537000000000 ]  - [   0.0000224900000000, -0.0000275700000000,  0.0003237500000000 ]  - [  -0.0000236400000000,  0.0000199100000000,  0.0001404000000000 ]  - [   0.0009441700000000,  0.0054945500000000, -0.0005573500000000 ]  - [  -0.0009492400000000,  0.0021377200000000, -0.0003563400000000 ]  - [  -0.0689669500000000,  0.0000000000000000,  0.0700381800000000 ]  - [  -0.0000098200000000,  0.0000000000000000, -0.0042598500000000 ]  - [   0.0070764000000000,  0.0000000000000000,  0.0134228200000000 ]  - [  -0.0054413000000000,  0.0000000000000000,  0.0015259400000000 ]  - [  -0.0000522600000000,  0.0000000000000000,  0.0036004200000000 ]  - [   0.0002547900000000,  0.0000000000000000,  0.0030574700000000 ]  - [   0.0004383500000000, -0.0002776900000000, -0.0015572300000000 ]  - [  -0.0002094600000000,  0.0000802500000000, -0.0010208400000000 ]  - [   0.0002074600000000, -0.0007697100000000, -0.0000449300000000 ]  - [  -0.0002089400000000, -0.0006031900000000, -0.0001109500000000 ]  - [  -0.0000337400000000,  0.0011931200000000,  0.0000295400000000 ]  - [   0.0000444400000000,  0.0007026500000000, -0.0001272100000000 ]  - [   0.1953946700000000,  0.0000000000000000, -0.2500314500000000 ]  - [  -0.0007653800000000,  0.0000000000000000, -0.0027660000000000 ]  - [   0.0007534600000000,  0.0000000000000000,  0.0049636200000000 ]  - [  -0.0028215300000000,  0.0000000000000000,  0.0028330400000000 ]  - [  -0.0011860300000000,  0.0000000000000000,  0.0049575900000000 ]  - [  -0.0003834000000000,  0.0000000000000000,  0.0028338700000000 ]  - [   0.0031061900000000,  0.0000000000000000, -0.0222361300000000 ]  - [  -0.0092968900000000,  0.0000000000000000, -0.0104885100000000 ]  - [   0.0041889700000000,  0.0000000000000000,  0.0047688800000000 ]  - [  -0.0034385400000000,  0.0000000000000000,  0.0057288300000000 ]  - [  -0.0008136700000000,  0.0000000000000000,  0.0047646500000000 ]  - [   0.0032289700000000,  0.0000000000000000,  0.0056970700000000 ]  - [   0.0004383500000000,  0.0002776900000000, -0.0015572300000000 ]  - [  -0.0002094600000000, -0.0000802500000000, -0.0010208400000000 ]  - [   0.0002074600000000,  0.0007697100000000, -0.0000449300000000 ]  - [  -0.0002089400000000,  0.0006031900000000, -0.0001109500000000 ]  - [  -0.0000337400000000, -0.0011931200000000,  0.0000295400000000 ]  - [   0.0000444400000000, -0.0007026500000000, -0.0001272100000000 ]  - [  -0.0000912200000000,  0.0000000000000000, -0.0007790700000000 ]  - [   0.0000634600000000,  0.0000000000000000, -0.0006036000000000 ]  - [  -0.0000156500000000,  0.0000000000000000,  0.0013168500000000 ]  - [   0.0000162200000000,  0.0000000000000000,  0.0010041800000000 ]  - [   0.0001330200000000,  0.0000000000000000,  0.0000424900000000 ]  - [  -0.0001341700000000,  0.0000000000000000,  0.0000317400000000 ]  - [  -0.0014574400000000,  0.0077291500000000,  0.0012827600000000 ]  - [   0.0000271700000000,  0.0005509400000000, -0.0009537000000000 ]  - [   0.0000224900000000,  0.0000275700000000,  0.0003237500000000 ]  - [  -0.0000236400000000, -0.0000199100000000,  0.0001404000000000 ]  - [   0.0009441700000000, -0.0054945500000000, -0.0005573500000000 ]  - [  -0.0009492400000000, -0.0021377200000000, -0.0003563400000000 ]  - [   0.0004126800000000,  0.0000000000000000,  0.0000859600000000 ]  - [   0.0006619600000000,  0.0000000000000000,  0.0000784400000000 ]  - [   0.0006398400000000,  0.0000000000000000,  0.0000722100000000 ]  - [   0.0001172400000000,  0.0000000000000000,  0.0000719200000000 ]  - [  -0.0000976900000000,  0.0000000000000000,  0.0017097400000000 ]  - [  -0.0001488800000000,  0.0000000000000000,  0.0017100500000000 ]  - [  -0.0004355600000000,  0.0000000000000000,  0.0000583000000000 ]  - [  -0.0006340200000000,  0.0000000000000000,  0.0001242300000000 ]  - [  -0.0003205400000000,  0.0000000000000000,  0.0000451200000000 ]  - [  -0.0004868800000000,  0.0000000000000000,  0.0001176800000000 ]  - [   0.0002475800000000,  0.0000000000000000,  0.0018418700000000 ]  - [   0.0000000100000000,  0.0000000000000000,  0.0015814600000000 ]  - [   0.0023155900000000,  0.0000000000000000,  0.0121052500000000 ]  - [  -0.0011503400000000,  0.0000000000000000,  0.0051923900000000 ]  - [  -0.0002674300000000,  0.0000000000000000, -0.0093125500000000 ]  - [   0.0002701500000000,  0.0000000000000000, -0.0069238000000000 ]  - [  -0.0105084800000000,  0.0000000000000000,  0.0160989800000000 ]  - [   0.0131997400000000,  0.0000000000000000, -0.0005983500000000 ]  - [  -0.0008137100000000,  0.0000000000000000,  0.0024398900000000 ]  - [   0.0007147100000000,  0.0000000000000000,  0.0020571500000000 ]  - [  -0.0007293400000000,  0.0000000000000000, -0.0022184900000000 ]  - [   0.0007199100000000,  0.0000000000000000, -0.0020577900000000 ]  - [   0.0000909900000000,  0.0000000000000000, -0.0026221800000000 ]  - [  -0.0000993500000000,  0.0000000000000000, -0.0024557800000000 ]- atom:   31  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.1327761500000000,  0.0000000000000000, -0.1545189800000000 ]  - [  -0.0035557900000000,  0.0000000000000000, -0.0062943800000000 ]  - [   0.0021877100000000,  0.0000000000000000,  0.0058420600000000 ]  - [  -0.0039471900000000,  0.0000000000000000,  0.0025831400000000 ]  - [  -0.0007709000000000,  0.0000000000000000,  0.0058868700000000 ]  - [   0.0014738700000000,  0.0000000000000000,  0.0029631100000000 ]  - [  -0.0002481900000000,  0.0000000000000000, -0.0010912600000000 ]  - [   0.0001567200000000,  0.0000000000000000, -0.0007358900000000 ]  - [   0.0000888600000000,  0.0000000000000000,  0.0019101100000000 ]  - [  -0.0000888800000000,  0.0000000000000000,  0.0014731000000000 ]  - [   0.0002008700000000,  0.0000000000000000,  0.0001175800000000 ]  - [  -0.0002237000000000,  0.0000000000000000,  0.0001599600000000 ]  - [   0.0014244900000000,  0.0073270900000000, -0.0020901300000000 ]  - [  -0.0000367000000000,  0.0003400400000000,  0.0000891500000000 ]  - [  -0.0000217600000000, -0.0001745000000000, -0.0011611000000000 ]  - [   0.0000229300000000, -0.0002318000000000, -0.0009806800000000 ]  - [  -0.0009261100000000, -0.0057342000000000, -0.0002735300000000 ]  - [   0.0009360800000000, -0.0023287500000000, -0.0004755200000000 ]  - [   0.0704612600000000,  0.0000000000000000, -0.0711612900000000 ]  - [  -0.0000323900000000,  0.0000000000000000,  0.0045528600000000 ]  - [  -0.0068696500000000,  0.0000000000000000, -0.0127856000000000 ]  - [   0.0053188900000000,  0.0000000000000000, -0.0011834600000000 ]  - [   0.0000575200000000,  0.0000000000000000, -0.0032483900000000 ]  - [  -0.0002625100000000,  0.0000000000000000, -0.0027124100000000 ]  - [  -0.0004408100000000,  0.0005442500000000,  0.0007006400000000 ]  - [   0.0002027000000000,  0.0001072700000000,  0.0001697400000000 ]  - [  -0.0002011000000000,  0.0009645600000000, -0.0007970800000000 ]  - [   0.0002025800000000,  0.0007991900000000, -0.0007308800000000 ]  - [   0.0000350700000000, -0.0009779000000000, -0.0008686400000000 ]  - [  -0.0000462600000000, -0.0005010200000000, -0.0007143800000000 ]  - [  -0.2001578300000000,  0.0000000000000000,  0.2536754300000000 ]  - [   0.0011937300000000,  0.0000000000000000,  0.0040100000000000 ]  - [  -0.0001574400000000,  0.0000000000000000, -0.0036789600000000 ]  - [   0.0032913700000000,  0.0000000000000000, -0.0015806000000000 ]  - [   0.0017239400000000,  0.0000000000000000, -0.0036833400000000 ]  - [   0.0008985000000000,  0.0000000000000000, -0.0015716100000000 ]  - [  -0.0046277600000000,  0.0000000000000000,  0.0235332900000000 ]  - [   0.0086313900000000,  0.0000000000000000,  0.0115890100000000 ]  - [  -0.0046508700000000,  0.0000000000000000, -0.0034934900000000 ]  - [   0.0028466900000000,  0.0000000000000000, -0.0044273100000000 ]  - [   0.0002872700000000,  0.0000000000000000, -0.0034896500000000 ]  - [  -0.0037772000000000,  0.0000000000000000, -0.0044576700000000 ]  - [  -0.0004408100000000, -0.0005442500000000,  0.0007006400000000 ]  - [   0.0002027000000000, -0.0001072700000000,  0.0001697400000000 ]  - [  -0.0002011000000000, -0.0009645600000000, -0.0007970800000000 ]  - [   0.0002025800000000, -0.0007991900000000, -0.0007308800000000 ]  - [   0.0000350700000000,  0.0009779000000000, -0.0008686400000000 ]  - [  -0.0000462600000000,  0.0005010200000000, -0.0007143800000000 ]  - [   0.0001057500000000,  0.0000000000000000,  0.0010789000000000 ]  - [  -0.0000782700000000,  0.0000000000000000,  0.0009079600000000 ]  - [   0.0000187700000000,  0.0000000000000000, -0.0009867900000000 ]  - [  -0.0000193700000000,  0.0000000000000000, -0.0006818800000000 ]  - [  -0.0001286700000000,  0.0000000000000000,  0.0002807400000000 ]  - [   0.0001298500000000,  0.0000000000000000,  0.0002921400000000 ]  - [   0.0014244900000000, -0.0073270900000000, -0.0020901300000000 ]  - [  -0.0000367000000000, -0.0003400400000000,  0.0000891500000000 ]  - [  -0.0000217600000000,  0.0001745000000000, -0.0011611000000000 ]  - [   0.0000229300000000,  0.0002318000000000, -0.0009806800000000 ]  - [  -0.0009261100000000,  0.0057342000000000, -0.0002735300000000 ]  - [   0.0009360800000000,  0.0023287500000000, -0.0004755200000000 ]  - [   0.0001097800000000,  0.0000000000000000,  0.0011596000000000 ]  - [  -0.0001233200000000,  0.0000000000000000,  0.0011522200000000 ]  - [  -0.0001067000000000,  0.0000000000000000,  0.0011443600000000 ]  - [   0.0004229500000000,  0.0000000000000000,  0.0011459600000000 ]  - [   0.0006246200000000,  0.0000000000000000, -0.0004651800000000 ]  - [   0.0006769800000000,  0.0000000000000000, -0.0004649700000000 ]  - [  -0.0000831800000000,  0.0000000000000000,  0.0011903000000000 ]  - [   0.0000918600000000,  0.0000000000000000,  0.0011108800000000 ]  - [  -0.0001996500000000,  0.0000000000000000,  0.0011756500000000 ]  - [  -0.0000658300000000,  0.0000000000000000,  0.0011041300000000 ]  - [  -0.0007687100000000,  0.0000000000000000, -0.0005909900000000 ]  - [  -0.0005336400000000,  0.0000000000000000, -0.0003355600000000 ]  - [  -0.0027727100000000,  0.0000000000000000, -0.0132201400000000 ]  - [   0.0012692200000000,  0.0000000000000000, -0.0065612700000000 ]  - [   0.0002635000000000,  0.0000000000000000,  0.0075727600000000 ]  - [  -0.0002681000000000,  0.0000000000000000,  0.0052246300000000 ]  - [   0.0098423600000000,  0.0000000000000000, -0.0188940100000000 ]  - [  -0.0130538700000000,  0.0000000000000000, -0.0012384100000000 ]  - [   0.0007947300000000,  0.0000000000000000, -0.0040570500000000 ]  - [  -0.0006965300000000,  0.0000000000000000, -0.0036769900000000 ]  - [   0.0007151300000000,  0.0000000000000000,  0.0005797900000000 ]  - [  -0.0007021800000000,  0.0000000000000000,  0.0004090600000000 ]  - [  -0.0000933100000000,  0.0000000000000000,  0.0009376800000000 ]  - [   0.0001019000000000,  0.0000000000000000,  0.0007891000000000 ]- atom:   73  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0234051300000000,  0.0000000000000000, -0.0180141600000000 ]  - [   0.0234989200000000,  0.0000000000000000,  0.0183227100000000 ]  - [   0.0297768100000000,  0.0000000000000000,  0.0467066900000000 ]  - [   0.0296868600000000,  0.0000000000000000, -0.0452568200000000 ]  - [  -0.0000503300000000,  0.0000000000000000,  0.0011768300000000 ]  - [  -0.0000352200000000,  0.0000000000000000, -0.0006085700000000 ]  - [  -0.0050055100000000,  0.0000000000000000,  0.0002787000000000 ]  - [   0.0041424900000000,  0.0000000000000000,  0.0002720200000000 ]  - [  -0.0020027200000000,  0.0000000000000000,  0.0002678900000000 ]  - [   0.0019598000000000,  0.0000000000000000,  0.0002789000000000 ]  - [  -0.0020140200000000,  0.0000000000000000,  0.0002805300000000 ]  - [   0.0019674900000000,  0.0000000000000000,  0.0002775300000000 ]  - [   0.0245241100000000,  0.0006385800000000, -0.0004240000000000 ]  - [  -0.0036950000000000, -0.0001420400000000, -0.0004182600000000 ]  - [   0.0011435700000000, -0.0001406600000000, -0.0004225100000000 ]  - [  -0.0008160000000000, -0.0001213500000000, -0.0004262600000000 ]  - [   0.0011490900000000, -0.0001131400000000, -0.0004252900000000 ]  - [  -0.0008950900000000, -0.0001308400000000, -0.0004222900000000 ]  - [  -0.0040965300000000,  0.0000000000000000,  0.0089044000000000 ]  - [  -0.0041593500000000,  0.0000000000000000, -0.0086160900000000 ]  - [   0.0202837300000000,  0.0000000000000000, -0.0116953200000000 ]  - [   0.0180719400000000,  0.0000000000000000,  0.0120159200000000 ]  - [  -0.0001042000000000,  0.0000000000000000, -0.0012595100000000 ]  - [  -0.0001223700000000,  0.0000000000000000,  0.0015631800000000 ]  - [  -0.0002942000000000,  0.0030405400000000,  0.0001457700000000 ]  - [  -0.0003046100000000, -0.0027780900000000, -0.0009886900000000 ]  - [  -0.0002610200000000,  0.0033664100000000, -0.0010838300000000 ]  - [  -0.0002715700000000, -0.0031210500000000,  0.0002377300000000 ]  - [   0.0000006200000000,  0.0003669400000000, -0.0004047600000000 ]  - [  -0.0000007700000000, -0.0001210800000000, -0.0004420900000000 ]  - [   0.0094243300000000,  0.0000000000000000,  0.0029167600000000 ]  - [  -0.0098603800000000,  0.0000000000000000, -0.0005466700000000 ]  - [   0.0147680000000000,  0.0000000000000000, -0.0094599300000000 ]  - [  -0.0178505500000000,  0.0000000000000000,  0.0136879000000000 ]  - [   0.0012689200000000,  0.0000000000000000,  0.0003467300000000 ]  - [  -0.0007631100000000,  0.0000000000000000,  0.0008815100000000 ]  - [  -0.0103446800000000,  0.0000000000000000,  0.0018749200000000 ]  - [   0.0084628200000000,  0.0000000000000000, -0.0021712500000000 ]  - [  -0.0183850500000000,  0.0000000000000000, -0.0125649300000000 ]  - [   0.0137758700000000,  0.0000000000000000,  0.0108989100000000 ]  - [  -0.0012723500000000,  0.0000000000000000,  0.0003446800000000 ]  - [   0.0007377700000000,  0.0000000000000000,  0.0008796800000000 ]  - [  -0.0002942000000000, -0.0030405400000000,  0.0001457700000000 ]  - [  -0.0003046100000000,  0.0027780900000000, -0.0009886900000000 ]  - [  -0.0002610200000000, -0.0033664100000000, -0.0010838300000000 ]  - [  -0.0002715700000000,  0.0031210500000000,  0.0002377300000000 ]  - [   0.0000006200000000, -0.0003669400000000, -0.0004047600000000 ]  - [  -0.0000007700000000,  0.0001210800000000, -0.0004420900000000 ]  - [   0.0021657800000000,  0.0000000000000000,  0.0001557300000000 ]  - [  -0.0020495800000000,  0.0000000000000000,  0.0001594600000000 ]  - [   0.0018217500000000,  0.0000000000000000,  0.0001604900000000 ]  - [  -0.0018061400000000,  0.0000000000000000,  0.0001525200000000 ]  - [   0.0006443900000000,  0.0000000000000000,  0.0001532900000000 ]  - [  -0.0006395800000000,  0.0000000000000000,  0.0001546500000000 ]  - [   0.0245241100000000, -0.0006385800000000, -0.0004240000000000 ]  - [  -0.0036950000000000,  0.0001420400000000, -0.0004182600000000 ]  - [   0.0011435700000000,  0.0001406600000000, -0.0004225100000000 ]  - [  -0.0008160000000000,  0.0001213500000000, -0.0004262600000000 ]  - [   0.0011490900000000,  0.0001131400000000, -0.0004252900000000 ]  - [  -0.0008950900000000,  0.0001308400000000, -0.0004222900000000 ]  - [  -0.0008659700000000,  0.0000000000000000,  0.0013273300000000 ]  - [   0.0013915300000000,  0.0000000000000000, -0.0001066800000000 ]  - [  -0.0020321800000000,  0.0000000000000000,  0.0013288300000000 ]  - [   0.0027829700000000,  0.0000000000000000, -0.0001823600000000 ]  - [  -0.0009386800000000,  0.0000000000000000,  0.0005154500000000 ]  - [   0.0014605900000000,  0.0000000000000000,  0.0007120400000000 ]  - [   0.0008781300000000,  0.0000000000000000,  0.0013393800000000 ]  - [  -0.0013838200000000,  0.0000000000000000, -0.0000931000000000 ]  - [   0.0022864200000000,  0.0000000000000000,  0.0014287600000000 ]  - [  -0.0025490000000000,  0.0000000000000000, -0.0000820400000000 ]  - [   0.0009547600000000,  0.0000000000000000,  0.0005288700000000 ]  - [  -0.0014529500000000,  0.0000000000000000,  0.0007191600000000 ]  - [  -0.1997878800000000,  0.0000000000000000, -0.0011497000000000 ]  - [   0.0453721000000000,  0.0000000000000000, -0.0008444100000000 ]  - [  -0.0158893400000000,  0.0000000000000000, -0.0008308600000000 ]  - [   0.0095166800000000,  0.0000000000000000, -0.0007799900000000 ]  - [  -0.0158897500000000,  0.0000000000000000, -0.0008077900000000 ]  - [   0.0095167000000000,  0.0000000000000000, -0.0008371100000000 ]  - [   0.0001691100000000,  0.0000000000000000, -0.0016943600000000 ]  - [   0.0002101200000000,  0.0000000000000000,  0.0000556500000000 ]  - [   0.0001722000000000,  0.0000000000000000,  0.0001540100000000 ]  - [   0.0002091100000000,  0.0000000000000000, -0.0018278900000000 ]  - [   0.0000022700000000,  0.0000000000000000, -0.0007847800000000 ]  - [   0.0000074600000000,  0.0000000000000000, -0.0008587300000000 ]- atom:   73  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0000819000000000,  0.0015547400000000,  0.0003042000000000 ]  - [   0.0000819000000000,  0.0015547400000000,  0.0003042000000000 ]  - [  -0.0001013400000000, -0.0047039500000000,  0.0002161600000000 ]  - [   0.0001013400000000, -0.0047039500000000,  0.0002161600000000 ]  - [   0.0000001300000000, -0.0000557700000000,  0.0002732400000000 ]  - [  -0.0000001300000000, -0.0000557700000000,  0.0002732400000000 ]  - [   0.0000000000000000,  0.0161810600000000,  0.0002407000000000 ]  - [   0.0000000000000000,  0.0002256200000000,  0.0002720300000000 ]  - [   0.0000000000000000,  0.0003752200000000,  0.0003213700000000 ]  - [   0.0000000000000000,  0.0001071000000000,  0.0002905300000000 ]  - [   0.0000000000000000,  0.0002978800000000,  0.0002605000000000 ]  - [   0.0000000000000000,  0.0000435700000000,  0.0002667400000000 ]  - [   0.0000000000000000,  0.4921643800000000, -0.0033246200000000 ]  - [   0.0000000000000000,  0.0016047300000000, -0.0003603200000000 ]  - [   0.0000000000000000,  0.0019853900000000,  0.0006814100000000 ]  - [   0.0000000000000000,  0.0002191600000000, -0.0003152800000000 ]  - [   0.0000000000000000,  0.0020778600000000, -0.0015681200000000 ]  - [   0.0000000000000000,  0.0002211000000000, -0.0005105700000000 ]  - [   0.0000268200000000, -0.0015415500000000,  0.0001086300000000 ]  - [  -0.0000268200000000, -0.0015415500000000,  0.0001086300000000 ]  - [   0.0000549500000000,  0.0135192200000000,  0.0001657600000000 ]  - [  -0.0000549500000000,  0.0135192200000000,  0.0001657600000000 ]  - [   0.0000024700000000,  0.0000854500000000,  0.0001686800000000 ]  - [  -0.0000024700000000,  0.0000854500000000,  0.0001686800000000 ]  - [   0.0018067300000000, -0.0066579600000000, -0.0022240200000000 ]  - [  -0.0018067300000000, -0.0066579600000000, -0.0022240200000000 ]  - [   0.0019203300000000, -0.0064496600000000,  0.0012979300000000 ]  - [  -0.0019203300000000, -0.0064496600000000,  0.0012979300000000 ]  - [   0.0000260000000000, -0.0001058700000000, -0.0004279500000000 ]  - [  -0.0000260000000000, -0.0001058700000000, -0.0004279500000000 ]  - [   0.0002798500000000,  0.0108235200000000,  0.0005926700000000 ]  - [   0.0002270000000000,  0.0002688800000000,  0.0006134600000000 ]  - [   0.0002917000000000,  0.0128488800000000,  0.0006880200000000 ]  - [   0.0001921100000000, -0.0020535700000000,  0.0006663100000000 ]  - [   0.0002624700000000,  0.0000839100000000,  0.0006179900000000 ]  - [   0.0002599200000000,  0.0000227600000000,  0.0006178100000000 ]  - [  -0.0002270000000000,  0.0002688800000000,  0.0006134600000000 ]  - [  -0.0002798500000000,  0.0108235200000000,  0.0005926700000000 ]  - [  -0.0001921100000000, -0.0020535700000000,  0.0006663100000000 ]  - [  -0.0002917000000000,  0.0128488800000000,  0.0006880200000000 ]  - [  -0.0002599200000000,  0.0000227600000000,  0.0006178100000000 ]  - [  -0.0002624700000000,  0.0000839100000000,  0.0006179900000000 ]  - [  -0.0018452300000000, -0.0068759200000000,  0.0014114500000000 ]  - [   0.0018452300000000, -0.0068759200000000,  0.0014114500000000 ]  - [  -0.0019574500000000, -0.0066528200000000, -0.0021792100000000 ]  - [   0.0019574500000000, -0.0066528200000000, -0.0021792100000000 ]  - [  -0.0000272400000000, -0.0002846100000000, -0.0004216400000000 ]  - [   0.0000272400000000, -0.0002846100000000, -0.0004216400000000 ]  - [   0.0000000000000000, -0.0038722300000000,  0.0001729600000000 ]  - [   0.0000000000000000, -0.0002518700000000,  0.0001683100000000 ]  - [   0.0000000000000000, -0.0020862400000000,  0.0001295700000000 ]  - [   0.0000000000000000, -0.0002414500000000,  0.0001519100000000 ]  - [   0.0000000000000000, -0.0000036600000000,  0.0001713100000000 ]  - [   0.0000000000000000, -0.0000019300000000,  0.0001683900000000 ]  - [   0.0000000000000000,  0.5199387800000000,  0.0026675300000000 ]  - [   0.0000000000000000,  0.0018883700000000, -0.0004902700000000 ]  - [   0.0000000000000000,  0.0022547800000000, -0.0015347000000000 ]  - [   0.0000000000000000,  0.0004296200000000, -0.0005290300000000 ]  - [   0.0000000000000000,  0.0023418400000000,  0.0007261100000000 ]  - [   0.0000000000000000,  0.0004582500000000, -0.0003390200000000 ]  - [   0.0002524000000000, -0.0001130400000000,  0.0006321800000000 ]  - [   0.0002555400000000, -0.0003017300000000,  0.0006347900000000 ]  - [   0.0002502900000000, -0.0005214800000000,  0.0006210300000000 ]  - [   0.0002635800000000, -0.0064397400000000,  0.0006306200000000 ]  - [   0.0002604900000000, -0.0000965100000000,  0.0006064100000000 ]  - [   0.0002711200000000, -0.0000676500000000,  0.0005978700000000 ]  - [  -0.0002555400000000, -0.0003017300000000,  0.0006347900000000 ]  - [  -0.0002524000000000, -0.0001130400000000,  0.0006321800000000 ]  - [  -0.0002635800000000, -0.0064397400000000,  0.0006306200000000 ]  - [  -0.0002502900000000, -0.0005214800000000,  0.0006210300000000 ]  - [  -0.0002711200000000, -0.0000676500000000,  0.0005978700000000 ]  - [  -0.0002604900000000, -0.0000965100000000,  0.0006064100000000 ]  - [   0.0000000000000000, -1.0764447300000000, -0.0010377700000000 ]  - [   0.0000000000000000, -0.0046691200000000, -0.0007953400000000 ]  - [   0.0000000000000000, -0.0071797600000000, -0.0008998400000000 ]  - [   0.0000000000000000, -0.0010234600000000, -0.0008663900000000 ]  - [   0.0000000000000000, -0.0071799900000000, -0.0007693500000000 ]  - [   0.0000000000000000, -0.0010218100000000, -0.0008090800000000 ]  - [   0.0000510400000000,  0.0168663600000000, -0.0008844900000000 ]  - [  -0.0000510400000000,  0.0168663600000000, -0.0008844900000000 ]  - [   0.0000480200000000,  0.0168646400000000, -0.0007764600000000 ]  - [  -0.0000480200000000,  0.0168646400000000, -0.0007764600000000 ]  - [   0.0000040300000000,  0.0005642600000000, -0.0008212600000000 ]  - [  -0.0000040300000000,  0.0005642600000000, -0.0008212600000000 ]- atom:   73  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0374041300000000,  0.0000000000000000,  0.0180495000000000 ]  - [   0.0374041300000000,  0.0000000000000000,  0.0180495000000000 ]  - [   0.0433202500000000,  0.0000000000000000, -0.0084587500000000 ]  - [  -0.0433202500000000,  0.0000000000000000, -0.0084587500000000 ]  - [  -0.0004093400000000,  0.0000000000000000,  0.0084640000000000 ]  - [   0.0004093400000000,  0.0000000000000000,  0.0084640000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0047494800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0033570100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0023426500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0018050200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0029692800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0023384700000000 ]  - [   0.0000000000000000,  0.0015797800000000,  0.0243128400000000 ]  - [   0.0000000000000000,  0.0020300500000000,  0.0016432200000000 ]  - [   0.0000000000000000,  0.0020293800000000, -0.0028338500000000 ]  - [   0.0000000000000000,  0.0007246400000000, -0.0014588500000000 ]  - [   0.0000000000000000, -0.0035436300000000, -0.0026972900000000 ]  - [   0.0000000000000000, -0.0022342000000000, -0.0013799000000000 ]  - [   0.0079324500000000,  0.0000000000000000, -0.0098579800000000 ]  - [  -0.0079324500000000,  0.0000000000000000, -0.0098579800000000 ]  - [  -0.0094060600000000,  0.0000000000000000,  0.0163350700000000 ]  - [   0.0094060600000000,  0.0000000000000000,  0.0163350700000000 ]  - [  -0.0014863400000000,  0.0000000000000000, -0.0064150000000000 ]  - [   0.0014863400000000,  0.0000000000000000, -0.0064150000000000 ]  - [   0.0006563900000000, -0.0031206000000000,  0.0001747300000000 ]  - [  -0.0006563900000000, -0.0031206000000000,  0.0001747300000000 ]  - [  -0.0005982600000000,  0.0034348900000000, -0.0002925400000000 ]  - [   0.0005982600000000,  0.0034348900000000, -0.0002925400000000 ]  - [   0.0000066300000000, -0.0001030200000000, -0.0013967000000000 ]  - [  -0.0000066300000000, -0.0001030200000000, -0.0013967000000000 ]  - [  -0.0043418400000000,  0.0000000000000000,  0.0127561800000000 ]  - [  -0.0166873600000000,  0.0000000000000000,  0.0064897400000000 ]  - [  -0.0084099400000000,  0.0000000000000000,  0.0187876200000000 ]  - [   0.0126932300000000,  0.0000000000000000,  0.0009875000000000 ]  - [   0.0028117800000000,  0.0000000000000000, -0.0078006200000000 ]  - [   0.0025235000000000,  0.0000000000000000, -0.0054413700000000 ]  - [   0.0166873600000000,  0.0000000000000000,  0.0064897400000000 ]  - [   0.0043418400000000,  0.0000000000000000,  0.0127561800000000 ]  - [  -0.0126932300000000,  0.0000000000000000,  0.0009875000000000 ]  - [   0.0084099400000000,  0.0000000000000000,  0.0187876200000000 ]  - [  -0.0025235000000000,  0.0000000000000000, -0.0054413700000000 ]  - [  -0.0028117800000000,  0.0000000000000000, -0.0078006200000000 ]  - [   0.0006563900000000,  0.0031206000000000,  0.0001747300000000 ]  - [  -0.0006563900000000,  0.0031206000000000,  0.0001747300000000 ]  - [  -0.0005982600000000, -0.0034348900000000, -0.0002925400000000 ]  - [   0.0005982600000000, -0.0034348900000000, -0.0002925400000000 ]  - [   0.0000066300000000,  0.0001030200000000, -0.0013967000000000 ]  - [  -0.0000066300000000,  0.0001030200000000, -0.0013967000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0032997000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0026541700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0010353500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0007697400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0017231400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0014106500000000 ]  - [   0.0000000000000000, -0.0015797800000000,  0.0243128400000000 ]  - [   0.0000000000000000, -0.0020300500000000,  0.0016432200000000 ]  - [   0.0000000000000000, -0.0020293800000000, -0.0028338500000000 ]  - [   0.0000000000000000, -0.0007246400000000, -0.0014588500000000 ]  - [   0.0000000000000000,  0.0035436300000000, -0.0026972900000000 ]  - [   0.0000000000000000,  0.0022342000000000, -0.0013799000000000 ]  - [   0.0007347700000000,  0.0000000000000000, -0.0006209200000000 ]  - [   0.0006109600000000,  0.0000000000000000, -0.0007876700000000 ]  - [  -0.0006509500000000,  0.0000000000000000,  0.0034793700000000 ]  - [  -0.0008890000000000,  0.0000000000000000,  0.0038613600000000 ]  - [   0.0007430900000000,  0.0000000000000000, -0.0009952900000000 ]  - [   0.0010513200000000,  0.0000000000000000, -0.0011503200000000 ]  - [  -0.0006109600000000,  0.0000000000000000, -0.0007876700000000 ]  - [  -0.0007347700000000,  0.0000000000000000, -0.0006209200000000 ]  - [   0.0008890000000000,  0.0000000000000000,  0.0038613600000000 ]  - [   0.0006509500000000,  0.0000000000000000,  0.0034793700000000 ]  - [  -0.0010513200000000,  0.0000000000000000, -0.0011503200000000 ]  - [  -0.0007430900000000,  0.0000000000000000, -0.0009952900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.1762443300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0246135100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0294068800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0100072100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0292162100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0100120200000000 ]  - [  -0.0009990400000000,  0.0000000000000000, -0.0034456300000000 ]  - [   0.0009990400000000,  0.0000000000000000, -0.0034456300000000 ]  - [   0.0008650900000000,  0.0000000000000000, -0.0034920800000000 ]  - [  -0.0008650900000000,  0.0000000000000000, -0.0034920800000000 ]  - [  -0.0000346100000000,  0.0000000000000000,  0.0046239500000000 ]  - [   0.0000346100000000,  0.0000000000000000,  0.0046239500000000 ]- atom:   73  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0377857500000000,  0.0000000000000000, -0.0178141300000000 ]  - [  -0.0377857500000000,  0.0000000000000000, -0.0178141300000000 ]  - [  -0.0430432100000000,  0.0000000000000000,  0.0087033800000000 ]  - [   0.0430432100000000,  0.0000000000000000,  0.0087033800000000 ]  - [   0.0004377000000000,  0.0000000000000000, -0.0079475200000000 ]  - [  -0.0004377000000000,  0.0000000000000000, -0.0079475200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0053365000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0039294500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0018200600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0012710100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0024133000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0017835600000000 ]  - [   0.0000000000000000, -0.0001755200000000, -0.0251452600000000 ]  - [   0.0000000000000000, -0.0022285300000000, -0.0024972300000000 ]  - [   0.0000000000000000, -0.0022129300000000,  0.0019795000000000 ]  - [   0.0000000000000000, -0.0009253900000000,  0.0006185400000000 ]  - [   0.0000000000000000,  0.0033539200000000,  0.0018665300000000 ]  - [   0.0000000000000000,  0.0020888100000000,  0.0005374200000000 ]  - [  -0.0079732900000000,  0.0000000000000000,  0.0102002700000000 ]  - [   0.0079732900000000,  0.0000000000000000,  0.0102002700000000 ]  - [   0.0093911300000000,  0.0000000000000000, -0.0158480100000000 ]  - [  -0.0093911300000000,  0.0000000000000000, -0.0158480100000000 ]  - [   0.0014714000000000,  0.0000000000000000,  0.0067643400000000 ]  - [  -0.0014714000000000,  0.0000000000000000,  0.0067643400000000 ]  - [  -0.0006548200000000,  0.0033619700000000, -0.0010352800000000 ]  - [   0.0006548200000000,  0.0033619700000000, -0.0010352800000000 ]  - [   0.0006008000000000, -0.0032288700000000, -0.0005432400000000 ]  - [  -0.0006008000000000, -0.0032288700000000, -0.0005432400000000 ]  - [  -0.0000078100000000,  0.0003121700000000,  0.0005539500000000 ]  - [   0.0000078100000000,  0.0003121700000000,  0.0005539500000000 ]  - [   0.0057877200000000,  0.0000000000000000, -0.0125677200000000 ]  - [   0.0173568300000000,  0.0000000000000000, -0.0052602400000000 ]  - [   0.0094155100000000,  0.0000000000000000, -0.0162055600000000 ]  - [  -0.0121981100000000,  0.0000000000000000,  0.0003520400000000 ]  - [  -0.0023201300000000,  0.0000000000000000,  0.0090794400000000 ]  - [  -0.0019919700000000,  0.0000000000000000,  0.0067056500000000 ]  - [  -0.0173568300000000,  0.0000000000000000, -0.0052602400000000 ]  - [  -0.0057877200000000,  0.0000000000000000, -0.0125677200000000 ]  - [   0.0121981100000000,  0.0000000000000000,  0.0003520400000000 ]  - [  -0.0094155100000000,  0.0000000000000000, -0.0162055600000000 ]  - [   0.0019919700000000,  0.0000000000000000,  0.0067056500000000 ]  - [   0.0023201300000000,  0.0000000000000000,  0.0090794400000000 ]  - [  -0.0006548200000000, -0.0033619700000000, -0.0010352800000000 ]  - [   0.0006548200000000, -0.0033619700000000, -0.0010352800000000 ]  - [   0.0006008000000000,  0.0032288700000000, -0.0005432400000000 ]  - [  -0.0006008000000000,  0.0032288700000000, -0.0005432400000000 ]  - [  -0.0000078100000000, -0.0003121700000000,  0.0005539500000000 ]  - [   0.0000078100000000, -0.0003121700000000,  0.0005539500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0029949700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0023378200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0013760600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0011012600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0020419600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0017284900000000 ]  - [   0.0000000000000000,  0.0001755200000000, -0.0251452600000000 ]  - [   0.0000000000000000,  0.0022285300000000, -0.0024972300000000 ]  - [   0.0000000000000000,  0.0022129300000000,  0.0019795000000000 ]  - [   0.0000000000000000,  0.0009253900000000,  0.0006185400000000 ]  - [   0.0000000000000000, -0.0033539200000000,  0.0018665300000000 ]  - [   0.0000000000000000, -0.0020888100000000,  0.0005374200000000 ]  - [  -0.0002074800000000,  0.0000000000000000,  0.0018494700000000 ]  - [  -0.0000838300000000,  0.0000000000000000,  0.0020156500000000 ]  - [   0.0011851900000000,  0.0000000000000000, -0.0022524400000000 ]  - [   0.0014070900000000,  0.0000000000000000, -0.0026338200000000 ]  - [  -0.0002246900000000,  0.0000000000000000,  0.0022469000000000 ]  - [  -0.0005373500000000,  0.0000000000000000,  0.0024056100000000 ]  - [   0.0000838300000000,  0.0000000000000000,  0.0020156500000000 ]  - [   0.0002074800000000,  0.0000000000000000,  0.0018494700000000 ]  - [  -0.0014070900000000,  0.0000000000000000, -0.0026338200000000 ]  - [  -0.0011851900000000,  0.0000000000000000, -0.0022524400000000 ]  - [   0.0005373500000000,  0.0000000000000000,  0.0024056100000000 ]  - [   0.0002246900000000,  0.0000000000000000,  0.0022469000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.1746707100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0230984000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0309609200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0117394800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0311474100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0117315900000000 ]  - [   0.0009793200000000,  0.0000000000000000,  0.0018525600000000 ]  - [  -0.0009793200000000,  0.0000000000000000,  0.0018525600000000 ]  - [  -0.0008825900000000,  0.0000000000000000,  0.0018006800000000 ]  - [   0.0008825900000000,  0.0000000000000000,  0.0018006800000000 ]  - [   0.0000396400000000,  0.0000000000000000, -0.0062982600000000 ]  - [  -0.0000396400000000,  0.0000000000000000, -0.0062982600000000 ]