# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/226804e8-034a-4a04-8273-75ddbb46517d/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 Sc2(SO4)3 / R-3c (167) / materials id 16800](https://mdr.nims.go.jp/datasets/8b974f05-feff-48b8-8f9f-4f5e41e9253f)

## Fulltext

phonopy:  version: 2.17.1  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05  configuration:    save_params: ".true."physical_unit:  atomic_mass: "AMU"  length: "angstrom"  force_constants: "eV/angstrom^2"space_group:  type: "R-3c"  number: 167  Hall_symbol: "-R 3 2\"c"primitive_matrix:- [  0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [  0.333333333333333,  0.333333333333333, -0.666666666666667 ]- [  0.333333333333333,  0.333333333333333,  0.333333333333333 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     4.389982090000004,     2.534557336666664,     7.557893879999993 ] # a  - [    -4.389982079999996,     2.534557336666664,     7.557893879999993 ] # b  - [    -0.000000009999995,    -5.069114673333336,     7.557893879999993 ] # c  points:  - symbol: O  # 1    coordinates: [  0.372283470000000,  0.991870410000001,  0.228398500000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.991870420000000,  0.228398490000000,  0.372283470000000 ]    mass: 15.999400  - symbol: O  # 3    coordinates: [  0.228398500000000,  0.372283460000001,  0.991870420000000 ]    mass: 15.999400  - symbol: O  # 4    coordinates: [  0.627716520000000,  0.008129590000000,  0.771601500000000 ]    mass: 15.999400  - symbol: O  # 5    coordinates: [  0.008129580000000,  0.771601510000000,  0.627716520000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.771601500000000,  0.627716530000000,  0.008129580000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.508129580000000,  0.127716540000001,  0.271601500000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.127716530000000,  0.271601510000001,  0.508129580000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.271601500000000,  0.508129590000001,  0.127716530000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.491870410000000,  0.872283460000000,  0.728398500000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.914971780000000,  0.298419300000000,  0.063435240000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.063435240000000,  0.914971770000000,  0.298419310000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.298419310000000,  0.063435230000000,  0.914971780000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.085028220000000,  0.701580700000001,  0.936564750000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.936564750000000,  0.085028230000001,  0.701580690000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.701580690000000,  0.936564760000001,  0.085028220000000 ]    mass: 15.999400  - symbol: O  # 17    coordinates: [  0.585028220000000,  0.436564760000000,  0.201580680000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.201580680000000,  0.585028230000000,  0.436564750000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.436564750000000,  0.201580690000000,  0.585028220000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.414971780000000,  0.563435240000001,  0.798419310000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.798419310000000,  0.414971770000001,  0.563435250000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.563435250000000,  0.798419300000001,  0.414971780000000 ]    mass: 15.999400  - symbol: O  # 23    coordinates: [  0.728398500000000,  0.491870400000000,  0.872283470000000 ]    mass: 15.999400  - symbol: O  # 24    coordinates: [  0.872283470000000,  0.728398490000000,  0.491870410000000 ]    mass: 15.999400  - symbol: S  # 25    coordinates: [  0.750000000000000,  0.464265490000000,  0.035734500000000 ]    mass: 32.065000  - symbol: S  # 26    coordinates: [  0.035734500000000,  0.749999990000000,  0.464265500000000 ]    mass: 32.065000  - symbol: S  # 27    coordinates: [  0.464265500000000,  0.035734490000000,  0.750000000000000 ]    mass: 32.065000  - symbol: S  # 28    coordinates: [  0.250000000000000,  0.535734500000001,  0.964265500000000 ]    mass: 32.065000  - symbol: S  # 29    coordinates: [  0.535734500000000,  0.964265500000001,  0.250000000000000 ]    mass: 32.065000  - symbol: S  # 30    coordinates: [  0.964265500000000,  0.250000000000001,  0.535734500000000 ]    mass: 32.065000  - symbol: Sc # 31    coordinates: [  0.144007320000000,  0.144007320000000,  0.144007320000000 ]    mass: 44.955912  - symbol: Sc # 32    coordinates: [  0.855992690000000,  0.855992680000000,  0.855992690000000 ]    mass: 44.955912  - symbol: Sc # 33    coordinates: [  0.355992680000000,  0.355992690000000,  0.355992680000000 ]    mass: 44.955912  - symbol: Sc # 34    coordinates: [  0.644007310000000,  0.644007320000001,  0.644007310000000 ]    mass: 44.955912  reciprocal_lattice: # without 2pi  - [     0.113895681193879,     0.065757702020022,     0.044103997572050 ] # a*  - [    -0.113895681193879,     0.065757702469393,     0.044103997572050 ] # b*  - [     0.000000000000000,    -0.131515404489416,     0.044103997572050 ] # c*unit_cell:  lattice:  - [     8.779964170000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -4.389982070000000,     7.603672010000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    22.673681640000002 ] # c  points:  - symbol: O  # 1    coordinates: [  0.174766010000000,  0.969118960000000,  0.197517460000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.794352960000000,  0.825233990000000,  0.197517460000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.030881040000000,  0.205647040000000,  0.197517460000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.491900650000000,  0.364214370000000,  0.135815870000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.872313710000000,  0.508099350000000,  0.135815870000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.635785630000000,  0.127686290000000,  0.135815870000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.205647040000000,  0.030881040000000,  0.302482540000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.825233990000000,  0.794352960000000,  0.302482540000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.969118960000000,  0.174766010000000,  0.302482540000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.461019620000000,  0.302452290000000,  0.030850790000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.822696340000000,  0.028840200000000,  0.092275440000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.971159800000000,  0.793856130000000,  0.092275440000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.206143870000000,  0.177303660000000,  0.092275440000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.843970330000000,  0.304493140000000,  0.241057890000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.695506860000000,  0.539477200000000,  0.241057890000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.460522800000000,  0.156029670000000,  0.241057890000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.510637000000000,  0.872810540000000,  0.074391220000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.127189460000000,  0.637826470000000,  0.074391220000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.362173530000000,  0.489363000000000,  0.074391220000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.156029670000000,  0.460522800000000,  0.258942110000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.539477200000000,  0.695506860000000,  0.258942110000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.304493140000000,  0.843970330000000,  0.258942110000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.697547710000000,  0.158567320000000,  0.030850790000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.841432680000000,  0.538980380000000,  0.030850790000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.841432680000000,  0.302452290000000,  0.530850790000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 26    coordinates: [  0.461019620000000,  0.158567320000000,  0.530850790000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 27    coordinates: [  0.697547710000000,  0.538980380000000,  0.530850790000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 28    coordinates: [  0.158567320000000,  0.697547710000000,  0.469149210000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 29    coordinates: [  0.538980380000000,  0.841432680000000,  0.469149210000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 30    coordinates: [  0.302452290000000,  0.461019620000000,  0.469149210000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 31    coordinates: [  0.872313710000000,  0.364214370000000,  0.635815870000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 32    coordinates: [  0.491900650000000,  0.127686290000000,  0.635815870000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 33    coordinates: [  0.635785630000000,  0.508099350000000,  0.635815870000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 34    coordinates: [  0.127686290000000,  0.635785630000000,  0.364184130000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 35    coordinates: [  0.489363000000000,  0.362173530000000,  0.425608780000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 36    coordinates: [  0.637826470000000,  0.127189460000000,  0.425608780000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 37    coordinates: [  0.872810540000000,  0.510637000000000,  0.425608780000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 38    coordinates: [  0.510637000000000,  0.637826470000000,  0.574391220000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 39    coordinates: [  0.362173530000000,  0.872810540000000,  0.574391220000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 40    coordinates: [  0.127189460000000,  0.489363000000000,  0.574391220000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 41    coordinates: [  0.177303660000000,  0.206143870000000,  0.407724560000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 42    coordinates: [  0.793856130000000,  0.971159800000000,  0.407724560000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 43    coordinates: [  0.028840200000000,  0.822696340000000,  0.407724560000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 44    coordinates: [  0.822696340000000,  0.793856130000000,  0.592275440000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 45    coordinates: [  0.206143870000000,  0.028840200000000,  0.592275440000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 46    coordinates: [  0.971159800000000,  0.177303660000000,  0.592275440000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 47    coordinates: [  0.364214370000000,  0.491900650000000,  0.364184130000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 48    coordinates: [  0.508099350000000,  0.872313710000000,  0.364184130000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 49    coordinates: [  0.508099350000000,  0.635785630000000,  0.864184130000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 50    coordinates: [  0.127686290000000,  0.491900650000000,  0.864184130000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 51    coordinates: [  0.364214370000000,  0.872313710000000,  0.864184130000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 52    coordinates: [  0.825233990000000,  0.030881040000000,  0.802482540000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 53    coordinates: [  0.205647040000000,  0.174766010000000,  0.802482540000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 54    coordinates: [  0.969118960000000,  0.794352960000000,  0.802482540000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 55    coordinates: [  0.538980380000000,  0.697547710000000,  0.969149210000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 56    coordinates: [  0.158567320000000,  0.461019620000000,  0.969149210000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 57    coordinates: [  0.302452290000000,  0.841432680000000,  0.969149210000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 58    coordinates: [  0.794352960000000,  0.969118960000000,  0.697517460000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 59    coordinates: [  0.156029670000000,  0.695506860000000,  0.758942110000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 60    coordinates: [  0.304493140000000,  0.460522800000000,  0.758942110000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 61    coordinates: [  0.539477200000000,  0.843970330000000,  0.758942110000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 62    coordinates: [  0.177303660000000,  0.971159800000000,  0.907724560000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 63    coordinates: [  0.028840200000000,  0.206143870000000,  0.907724560000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 64    coordinates: [  0.793856130000000,  0.822696340000000,  0.907724560000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 65    coordinates: [  0.843970330000000,  0.539477200000000,  0.741057890000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 66    coordinates: [  0.460522800000000,  0.304493140000000,  0.741057890000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 67    coordinates: [  0.695506860000000,  0.156029670000000,  0.741057890000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 68    coordinates: [  0.489363000000000,  0.127189460000000,  0.925608780000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 69    coordinates: [  0.872810540000000,  0.362173530000000,  0.925608780000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 70    coordinates: [  0.637826470000000,  0.510637000000000,  0.925608780000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 71    coordinates: [  0.030881040000000,  0.825233990000000,  0.697517460000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 72    coordinates: [  0.174766010000000,  0.205647040000000,  0.697517460000000 ]    mass: 15.999400    reduced_to: 24  - symbol: S  # 73    coordinates: [  0.666666670000000,  0.047598830000000,  0.083333330000000 ]    mass: 32.065000    reduced_to: 73  - symbol: S  # 74    coordinates: [  0.952401170000000,  0.619067830000000,  0.083333330000000 ]    mass: 32.065000    reduced_to: 74  - symbol: S  # 75    coordinates: [  0.380932170000000,  0.333333330000000,  0.083333330000000 ]    mass: 32.065000    reduced_to: 75  - symbol: S  # 76    coordinates: [  0.000000000000000,  0.285734500000000,  0.250000000000000 ]    mass: 32.065000    reduced_to: 76  - symbol: S  # 77    coordinates: [  0.285734500000000,  0.000000000000000,  0.250000000000000 ]    mass: 32.065000    reduced_to: 77  - symbol: S  # 78    coordinates: [  0.714265500000000,  0.714265500000000,  0.250000000000000 ]    mass: 32.065000    reduced_to: 78  - symbol: S  # 79    coordinates: [  0.333333330000000,  0.380932170000000,  0.416666670000000 ]    mass: 32.065000    reduced_to: 73  - symbol: S  # 80    coordinates: [  0.619067830000000,  0.952401170000000,  0.416666670000000 ]    mass: 32.065000    reduced_to: 74  - symbol: S  # 81    coordinates: [  0.047598830000000,  0.666666670000000,  0.416666670000000 ]    mass: 32.065000    reduced_to: 75  - symbol: S  # 82    coordinates: [  0.666666670000000,  0.619067830000000,  0.583333330000000 ]    mass: 32.065000    reduced_to: 76  - symbol: S  # 83    coordinates: [  0.952401170000000,  0.333333330000000,  0.583333330000000 ]    mass: 32.065000    reduced_to: 77  - symbol: S  # 84    coordinates: [  0.380932170000000,  0.047598830000000,  0.583333330000000 ]    mass: 32.065000    reduced_to: 78  - symbol: S  # 85    coordinates: [  0.000000000000000,  0.714265500000000,  0.750000000000000 ]    mass: 32.065000    reduced_to: 73  - symbol: S  # 86    coordinates: [  0.285734500000000,  0.285734500000000,  0.750000000000000 ]    mass: 32.065000    reduced_to: 74  - symbol: S  # 87    coordinates: [  0.714265500000000,  0.000000000000000,  0.750000000000000 ]    mass: 32.065000    reduced_to: 75  - symbol: S  # 88    coordinates: [  0.333333330000000,  0.952401170000000,  0.916666670000000 ]    mass: 32.065000    reduced_to: 76  - symbol: S  # 89    coordinates: [  0.619067830000000,  0.666666670000000,  0.916666670000000 ]    mass: 32.065000    reduced_to: 77  - symbol: S  # 90    coordinates: [  0.047598830000000,  0.380932170000000,  0.916666670000000 ]    mass: 32.065000    reduced_to: 78  - symbol: Sc # 91    coordinates: [  0.000000000000000,  0.000000000000000,  0.144007320000000 ]    mass: 44.955912    reduced_to: 91  - symbol: Sc # 92    coordinates: [  0.666666670000000,  0.333333330000000,  0.189326020000000 ]    mass: 44.955912    reduced_to: 92  - symbol: Sc # 93    coordinates: [  0.333333330000000,  0.666666670000000,  0.022659350000000 ]    mass: 44.955912    reduced_to: 93  - symbol: Sc # 94    coordinates: [  0.333333330000000,  0.666666670000000,  0.310673980000000 ]    mass: 44.955912    reduced_to: 94  - symbol: Sc # 95    coordinates: [  0.666666670000000,  0.333333330000000,  0.477340650000000 ]    mass: 44.955912    reduced_to: 91  - symbol: Sc # 96    coordinates: [  0.333333330000000,  0.666666670000000,  0.522659350000000 ]    mass: 44.955912    reduced_to: 92  - symbol: Sc # 97    coordinates: [  0.000000000000000,  0.000000000000000,  0.355992680000000 ]    mass: 44.955912    reduced_to: 93  - symbol: Sc # 98    coordinates: [  0.000000000000000,  0.000000000000000,  0.644007320000000 ]    mass: 44.955912    reduced_to: 94  - symbol: Sc # 99    coordinates: [  0.333333330000000,  0.666666670000000,  0.810673980000000 ]    mass: 44.955912    reduced_to: 91  - symbol: Sc # 100    coordinates: [  0.000000000000000,  0.000000000000000,  0.855992680000000 ]    mass: 44.955912    reduced_to: 92  - symbol: Sc # 101    coordinates: [  0.666666670000000,  0.333333330000000,  0.689326020000000 ]    mass: 44.955912    reduced_to: 93  - symbol: Sc # 102    coordinates: [  0.666666670000000,  0.333333330000000,  0.977340650000000 ]    mass: 44.955912    reduced_to: 94supercell:  lattice:  - [     8.779964170000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -4.389982070000000,     7.603672010000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    22.673681640000002 ] # c  points:  - symbol: O  # 1    coordinates: [  0.174766010000000,  0.969118960000000,  0.197517460000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.794352960000000,  0.825233990000000,  0.197517460000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.030881040000000,  0.205647040000000,  0.197517460000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 4    coordinates: [  0.491900650000000,  0.364214370000000,  0.135815870000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.872313710000000,  0.508099350000000,  0.135815870000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.635785630000000,  0.127686290000000,  0.135815870000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.205647040000000,  0.030881040000000,  0.302482540000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.825233990000000,  0.794352960000000,  0.302482540000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.969118960000000,  0.174766010000000,  0.302482540000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.461019620000000,  0.302452290000000,  0.030850790000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.822696340000000,  0.028840200000000,  0.092275440000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.971159800000000,  0.793856130000000,  0.092275440000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.206143870000000,  0.177303660000000,  0.092275440000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.843970330000000,  0.304493140000000,  0.241057890000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.695506860000000,  0.539477200000000,  0.241057890000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.460522800000000,  0.156029670000000,  0.241057890000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.510637000000000,  0.872810540000000,  0.074391220000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.127189460000000,  0.637826470000000,  0.074391220000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 19    coordinates: [  0.362173530000000,  0.489363000000000,  0.074391220000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.156029670000000,  0.460522800000000,  0.258942110000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 21    coordinates: [  0.539477200000000,  0.695506860000000,  0.258942110000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.304493140000000,  0.843970330000000,  0.258942110000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 23    coordinates: [  0.697547710000000,  0.158567320000000,  0.030850790000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.841432680000000,  0.538980380000000,  0.030850790000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 25    coordinates: [  0.841432680000000,  0.302452290000000,  0.530850790000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 26    coordinates: [  0.461019620000000,  0.158567320000000,  0.530850790000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 27    coordinates: [  0.697547710000000,  0.538980380000000,  0.530850790000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 28    coordinates: [  0.158567320000000,  0.697547710000000,  0.469149210000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 29    coordinates: [  0.538980380000000,  0.841432680000000,  0.469149210000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 30    coordinates: [  0.302452290000000,  0.461019620000000,  0.469149210000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 31    coordinates: [  0.872313710000000,  0.364214370000000,  0.635815870000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 32    coordinates: [  0.491900650000000,  0.127686290000000,  0.635815870000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 33    coordinates: [  0.635785630000000,  0.508099350000000,  0.635815870000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 34    coordinates: [  0.127686290000000,  0.635785630000000,  0.364184130000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 35    coordinates: [  0.489363000000000,  0.362173530000000,  0.425608780000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 36    coordinates: [  0.637826470000000,  0.127189460000000,  0.425608780000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 37    coordinates: [  0.872810540000000,  0.510637000000000,  0.425608780000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 38    coordinates: [  0.510637000000000,  0.637826470000000,  0.574391220000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 39    coordinates: [  0.362173530000000,  0.872810540000000,  0.574391220000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 40    coordinates: [  0.127189460000000,  0.489363000000000,  0.574391220000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 41    coordinates: [  0.177303660000000,  0.206143870000000,  0.407724560000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 42    coordinates: [  0.793856130000000,  0.971159800000000,  0.407724560000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 43    coordinates: [  0.028840200000000,  0.822696340000000,  0.407724560000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 44    coordinates: [  0.822696340000000,  0.793856130000000,  0.592275440000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 45    coordinates: [  0.206143870000000,  0.028840200000000,  0.592275440000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 46    coordinates: [  0.971159800000000,  0.177303660000000,  0.592275440000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 47    coordinates: [  0.364214370000000,  0.491900650000000,  0.364184130000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 48    coordinates: [  0.508099350000000,  0.872313710000000,  0.364184130000000 ]    mass: 15.999400    reduced_to: 24  - symbol: O  # 49    coordinates: [  0.508099350000000,  0.635785630000000,  0.864184130000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 50    coordinates: [  0.127686290000000,  0.491900650000000,  0.864184130000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 51    coordinates: [  0.364214370000000,  0.872313710000000,  0.864184130000000 ]    mass: 15.999400    reduced_to: 3  - symbol: O  # 52    coordinates: [  0.825233990000000,  0.030881040000000,  0.802482540000000 ]    mass: 15.999400    reduced_to: 4  - symbol: O  # 53    coordinates: [  0.205647040000000,  0.174766010000000,  0.802482540000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 54    coordinates: [  0.969118960000000,  0.794352960000000,  0.802482540000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 55    coordinates: [  0.538980380000000,  0.697547710000000,  0.969149210000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 56    coordinates: [  0.158567320000000,  0.461019620000000,  0.969149210000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 57    coordinates: [  0.302452290000000,  0.841432680000000,  0.969149210000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 58    coordinates: [  0.794352960000000,  0.969118960000000,  0.697517460000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 59    coordinates: [  0.156029670000000,  0.695506860000000,  0.758942110000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 60    coordinates: [  0.304493140000000,  0.460522800000000,  0.758942110000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 61    coordinates: [  0.539477200000000,  0.843970330000000,  0.758942110000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 62    coordinates: [  0.177303660000000,  0.971159800000000,  0.907724560000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 63    coordinates: [  0.028840200000000,  0.206143870000000,  0.907724560000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 64    coordinates: [  0.793856130000000,  0.822696340000000,  0.907724560000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 65    coordinates: [  0.843970330000000,  0.539477200000000,  0.741057890000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 66    coordinates: [  0.460522800000000,  0.304493140000000,  0.741057890000000 ]    mass: 15.999400    reduced_to: 18  - symbol: O  # 67    coordinates: [  0.695506860000000,  0.156029670000000,  0.741057890000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 68    coordinates: [  0.489363000000000,  0.127189460000000,  0.925608780000000 ]    mass: 15.999400    reduced_to: 20  - symbol: O  # 69    coordinates: [  0.872810540000000,  0.362173530000000,  0.925608780000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 70    coordinates: [  0.637826470000000,  0.510637000000000,  0.925608780000000 ]    mass: 15.999400    reduced_to: 22  - symbol: O  # 71    coordinates: [  0.030881040000000,  0.825233990000000,  0.697517460000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 72    coordinates: [  0.174766010000000,  0.205647040000000,  0.697517460000000 ]    mass: 15.999400    reduced_to: 24  - symbol: S  # 73    coordinates: [  0.666666670000000,  0.047598830000000,  0.083333330000000 ]    mass: 32.065000    reduced_to: 73  - symbol: S  # 74    coordinates: [  0.952401170000000,  0.619067830000000,  0.083333330000000 ]    mass: 32.065000    reduced_to: 74  - symbol: S  # 75    coordinates: [  0.380932170000000,  0.333333330000000,  0.083333330000000 ]    mass: 32.065000    reduced_to: 75  - symbol: S  # 76    coordinates: [  0.000000000000000,  0.285734500000000,  0.250000000000000 ]    mass: 32.065000    reduced_to: 76  - symbol: S  # 77    coordinates: [  0.285734500000000,  0.000000000000000,  0.250000000000000 ]    mass: 32.065000    reduced_to: 77  - symbol: S  # 78    coordinates: [  0.714265500000000,  0.714265500000000,  0.250000000000000 ]    mass: 32.065000    reduced_to: 78  - symbol: S  # 79    coordinates: [  0.333333330000000,  0.380932170000000,  0.416666670000000 ]    mass: 32.065000    reduced_to: 73  - symbol: S  # 80    coordinates: [  0.619067830000000,  0.952401170000000,  0.416666670000000 ]    mass: 32.065000    reduced_to: 74  - symbol: S  # 81    coordinates: [  0.047598830000000,  0.666666670000000,  0.416666670000000 ]    mass: 32.065000    reduced_to: 75  - symbol: S  # 82    coordinates: [  0.666666670000000,  0.619067830000000,  0.583333330000000 ]    mass: 32.065000    reduced_to: 76  - symbol: S  # 83    coordinates: [  0.952401170000000,  0.333333330000000,  0.583333330000000 ]    mass: 32.065000    reduced_to: 77  - symbol: S  # 84    coordinates: [  0.380932170000000,  0.047598830000000,  0.583333330000000 ]    mass: 32.065000    reduced_to: 78  - symbol: S  # 85    coordinates: [  0.000000000000000,  0.714265500000000,  0.750000000000000 ]    mass: 32.065000    reduced_to: 73  - symbol: S  # 86    coordinates: [  0.285734500000000,  0.285734500000000,  0.750000000000000 ]    mass: 32.065000    reduced_to: 74  - symbol: S  # 87    coordinates: [  0.714265500000000,  0.000000000000000,  0.750000000000000 ]    mass: 32.065000    reduced_to: 75  - symbol: S  # 88    coordinates: [  0.333333330000000,  0.952401170000000,  0.916666670000000 ]    mass: 32.065000    reduced_to: 76  - symbol: S  # 89    coordinates: [  0.619067830000000,  0.666666670000000,  0.916666670000000 ]    mass: 32.065000    reduced_to: 77  - symbol: S  # 90    coordinates: [  0.047598830000000,  0.380932170000000,  0.916666670000000 ]    mass: 32.065000    reduced_to: 78  - symbol: Sc # 91    coordinates: [  0.000000000000000,  0.000000000000000,  0.144007320000000 ]    mass: 44.955912    reduced_to: 91  - symbol: Sc # 92    coordinates: [  0.666666670000000,  0.333333330000000,  0.189326020000000 ]    mass: 44.955912    reduced_to: 92  - symbol: Sc # 93    coordinates: [  0.333333330000000,  0.666666670000000,  0.022659350000000 ]    mass: 44.955912    reduced_to: 93  - symbol: Sc # 94    coordinates: [  0.333333330000000,  0.666666670000000,  0.310673980000000 ]    mass: 44.955912    reduced_to: 94  - symbol: Sc # 95    coordinates: [  0.666666670000000,  0.333333330000000,  0.477340650000000 ]    mass: 44.955912    reduced_to: 91  - symbol: Sc # 96    coordinates: [  0.333333330000000,  0.666666670000000,  0.522659350000000 ]    mass: 44.955912    reduced_to: 92  - symbol: Sc # 97    coordinates: [  0.000000000000000,  0.000000000000000,  0.355992680000000 ]    mass: 44.955912    reduced_to: 93  - symbol: Sc # 98    coordinates: [  0.000000000000000,  0.000000000000000,  0.644007320000000 ]    mass: 44.955912    reduced_to: 94  - symbol: Sc # 99    coordinates: [  0.333333330000000,  0.666666670000000,  0.810673980000000 ]    mass: 44.955912    reduced_to: 91  - symbol: Sc # 100    coordinates: [  0.000000000000000,  0.000000000000000,  0.855992680000000 ]    mass: 44.955912    reduced_to: 92  - symbol: Sc # 101    coordinates: [  0.666666670000000,  0.333333330000000,  0.689326020000000 ]    mass: 44.955912    reduced_to: 93  - symbol: Sc # 102    coordinates: [  0.666666670000000,  0.333333330000000,  0.977340650000000 ]    mass: 44.955912    reduced_to: 94displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.2384936800000000, -0.0285251500000000, -0.2147693700000000 ]  - [   0.0127524900000000,  0.0128336700000000, -0.0102591500000000 ]  - [   0.0116362500000000, -0.0134841800000000, -0.0110039200000000 ]  - [  -0.0040927500000000, -0.0002018200000000, -0.0049117500000000 ]  - [   0.0011696600000000,  0.0041544200000000, -0.0038667200000000 ]  - [   0.0039052100000000, -0.0025713800000000, -0.0050656600000000 ]  - [  -0.0147013800000000, -0.0007070100000000, -0.0037815800000000 ]  - [  -0.0001718700000000, -0.0000831100000000, -0.0044388300000000 ]  - [  -0.0002287400000000, -0.0000315700000000, -0.0041637600000000 ]  - [  -0.0013719000000000, -0.0011655200000000,  0.0002245100000000 ]  - [   0.0139605400000000, -0.0016100300000000,  0.0049093600000000 ]  - [  -0.0025852000000000,  0.0096952000000000,  0.0060402300000000 ]  - [  -0.0048439600000000, -0.0085740900000000,  0.0050811800000000 ]  - [   0.0056150000000000, -0.0014135400000000, -0.0024684500000000 ]  - [   0.0001227400000000,  0.0052180000000000, -0.0020069000000000 ]  - [   0.0273364700000000,  0.0328311700000000,  0.0193593600000000 ]  - [   0.0018674800000000,  0.0006434200000000, -0.0007851200000000 ]  - [  -0.0017734800000000,  0.0007414800000000, -0.0003980700000000 ]  - [  -0.0004145500000000, -0.0015768300000000, -0.0005569300000000 ]  - [  -0.0007323900000000, -0.0068585500000000, -0.0036304500000000 ]  - [   0.0072778000000000,  0.0020177300000000, -0.0043317600000000 ]  - [   0.0297343700000000, -0.0223461700000000,  0.0418832600000000 ]  - [   0.0020646600000000, -0.0006412800000000,  0.0001301800000000 ]  - [  -0.0004168200000000,  0.0022111800000000,  0.0008730500000000 ]  - [   0.0003514100000000, -0.0002206200000000,  0.0009852700000000 ]  - [  -0.0003728500000000, -0.0001730100000000,  0.0010044400000000 ]  - [   0.0000294900000000,  0.0004152200000000,  0.0009790400000000 ]  - [   0.0005828400000000,  0.0003087400000000,  0.0012719200000000 ]  - [  -0.0000174700000000, -0.0007500400000000,  0.0016135500000000 ]  - [  -0.0005754700000000,  0.0004231300000000,  0.0010572900000000 ]  - [  -0.0007984200000000,  0.0001650300000000,  0.0011820400000000 ]  - [   0.0005450000000000,  0.0006172300000000,  0.0011935900000000 ]  - [   0.0002594100000000, -0.0007748000000000,  0.0011768400000000 ]  - [  -0.0013969300000000, -0.0008844000000000,  0.0023139900000000 ]  - [   0.0005456700000000,  0.0001923300000000,  0.0011835100000000 ]  - [  -0.0002130900000000,  0.0006311200000000,  0.0013072400000000 ]  - [  -0.0004678900000000, -0.0007600500000000,  0.0011007200000000 ]  - [   0.0005537800000000, -0.0003302500000000,  0.0003101000000000 ]  - [  -0.0000085700000000,  0.0006338900000000,  0.0003258700000000 ]  - [  -0.0005395900000000, -0.0003187600000000,  0.0003093600000000 ]  - [  -0.0007195800000000, -0.0002050900000000, -0.0001189300000000 ]  - [   0.0010599400000000,  0.0000038000000000, -0.0003722600000000 ]  - [  -0.0004971200000000,  0.0003760200000000, -0.0000647700000000 ]  - [   0.0005684100000000,  0.0004836000000000,  0.0010339500000000 ]  - [  -0.0007261900000000,  0.0002498600000000,  0.0010453500000000 ]  - [   0.0001411500000000, -0.0007393600000000,  0.0010361500000000 ]  - [   0.0008949800000000, -0.0013557000000000,  0.0018615900000000 ]  - [   0.0016257600000000,  0.0010568500000000,  0.0026259800000000 ]  - [   0.0003529800000000, -0.0002128500000000,  0.0009452400000000 ]  - [  -0.0003586400000000, -0.0001997100000000,  0.0009523900000000 ]  - [   0.0000130400000000,  0.0004004700000000,  0.0009288000000000 ]  - [   0.0008171200000000,  0.0001639300000000,  0.0011816000000000 ]  - [  -0.0002660000000000, -0.0007892800000000,  0.0011793700000000 ]  - [  -0.0005521500000000,  0.0006250300000000,  0.0011813100000000 ]  - [  -0.0006382800000000,  0.0001927600000000,  0.0010242200000000 ]  - [   0.0004915600000000,  0.0004533100000000,  0.0010240300000000 ]  - [   0.0001373600000000, -0.0006807600000000,  0.0010049200000000 ]  - [  -0.0003269200000000, -0.0002177800000000,  0.0009850400000000 ]  - [   0.0006668900000000,  0.0002315600000000,  0.0010379900000000 ]  - [  -0.0005385000000000,  0.0004684900000000,  0.0010401200000000 ]  - [  -0.0001370300000000, -0.0007028100000000,  0.0010407600000000 ]  - [   0.0004037200000000, -0.0002836900000000,  0.0003061000000000 ]  - [   0.0000301600000000,  0.0005101200000000,  0.0003127200000000 ]  - [  -0.0004485600000000, -0.0002249600000000,  0.0003195800000000 ]  - [   0.0000207600000000,  0.0006035700000000,  0.0003090200000000 ]  - [  -0.0005379100000000, -0.0002828600000000,  0.0003101600000000 ]  - [   0.0005210100000000, -0.0003319600000000,  0.0003127600000000 ]  - [   0.0005523300000000,  0.0004684900000000,  0.0009931000000000 ]  - [  -0.0006778800000000,  0.0002699700000000,  0.0010161900000000 ]  - [   0.0001473600000000, -0.0007104500000000,  0.0010183400000000 ]  - [   0.0003509000000000, -0.0001719900000000,  0.0009797800000000 ]  - [  -0.0000267900000000,  0.0003921900000000,  0.0009829200000000 ]  - [  -0.0114538300000000,  0.0026730100000000,  0.0040727300000000 ]  - [   0.0044261300000000, -0.0107604500000000,  0.0011376200000000 ]  - [   0.0082612400000000,  0.0079843800000000,  0.0028740600000000 ]  - [  -0.0074356900000000,  0.0104262200000000,  0.0163612400000000 ]  - [   0.1593115200000000,  0.0249029500000000,  0.1288278900000000 ]  - [  -0.0065784300000000, -0.0125584600000000,  0.0167665000000000 ]  - [   0.0002187000000000,  0.0005926500000000, -0.0020979300000000 ]  - [  -0.0021550700000000, -0.0014983300000000, -0.0032998700000000 ]  - [   0.0019026500000000, -0.0000915700000000, -0.0029902300000000 ]  - [  -0.0004357600000000, -0.0004276800000000, -0.0020323500000000 ]  - [  -0.0001746000000000,  0.0005836700000000, -0.0020285800000000 ]  - [   0.0006026600000000, -0.0001439400000000, -0.0020833400000000 ]  - [  -0.0005575100000000, -0.0001470500000000, -0.0020514500000000 ]  - [   0.0004057200000000, -0.0004102700000000, -0.0020499500000000 ]  - [   0.0001484900000000,  0.0005517800000000, -0.0020516800000000 ]  - [  -0.0002118400000000, -0.0004708300000000, -0.0019120800000000 ]  - [  -0.0003246500000000,  0.0004510400000000, -0.0019562700000000 ]  - [   0.0005463400000000,  0.0000099700000000, -0.0019758000000000 ]  - [   0.0188896200000000, -0.0016583700000000,  0.0139236600000000 ]  - [  -0.0094651900000000, -0.0134275100000000,  0.0155226200000000 ]  - [   0.0000661700000000,  0.0002720700000000, -0.0013571500000000 ]  - [  -0.0090153900000000,  0.0128959700000000, -0.0053137000000000 ]  - [  -0.0000413700000000, -0.0001894400000000, -0.0021732500000000 ]  - [   0.0000129800000000,  0.0001568100000000, -0.0023488600000000 ]  - [   0.0047151800000000,  0.0009609800000000,  0.0021164100000000 ]  - [   0.0000094000000000,  0.0000008000000000, -0.0021089000000000 ]  - [   0.0000012400000000,  0.0000108000000000, -0.0020868900000000 ]  - [   0.0000052200000000,  0.0000069500000000, -0.0023355600000000 ]  - [  -0.0000032100000000, -0.0000030900000000, -0.0022800700000000 ]  - [  -0.0001078500000000, -0.0002646200000000, -0.0018798400000000 ]- atom:    1  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.2355159100000000,  0.0264336600000000,  0.2079065800000000 ]  - [  -0.0130513000000000, -0.0124149200000000,  0.0102016200000000 ]  - [  -0.0112141500000000,  0.0134680700000000,  0.0109671900000000 ]  - [   0.0045907200000000,  0.0005933700000000,  0.0051752800000000 ]  - [  -0.0010666100000000, -0.0047960000000000,  0.0041313300000000 ]  - [  -0.0045242400000000,  0.0028008900000000,  0.0053292300000000 ]  - [   0.0142112200000000,  0.0010034000000000,  0.0033523000000000 ]  - [   0.0007941000000000,  0.0003548700000000,  0.0047265400000000 ]  - [   0.0001720300000000, -0.0006268700000000,  0.0044514800000000 ]  - [   0.0018640100000000,  0.0007828200000000, -0.0004149600000000 ]  - [  -0.0139268300000000,  0.0021805200000000, -0.0042524400000000 ]  - [   0.0020616600000000, -0.0099375600000000, -0.0053866900000000 ]  - [   0.0053013300000000,  0.0082124600000000, -0.0043745100000000 ]  - [  -0.0057868200000000,  0.0009043500000000,  0.0017773900000000 ]  - [   0.0003996700000000, -0.0051114700000000,  0.0013091300000000 ]  - [  -0.0274811100000000, -0.0318993000000000, -0.0196455700000000 ]  - [  -0.0024735000000000, -0.0005010600000000,  0.0000453300000000 ]  - [   0.0019741800000000, -0.0013270700000000, -0.0003427600000000 ]  - [   0.0008525800000000,  0.0020023500000000, -0.0001811500000000 ]  - [   0.0012569600000000,  0.0067721700000000,  0.0044076500000000 ]  - [  -0.0074837700000000, -0.0015169400000000,  0.0051254100000000 ]  - [  -0.0297925000000000,  0.0215745500000000, -0.0404691600000000 ]  - [  -0.0019911300000000,  0.0012694000000000, -0.0003347300000000 ]  - [  -0.0001590400000000, -0.0024614200000000, -0.0010794200000000 ]  - [  -0.0008398600000000, -0.0001715000000000, -0.0011923100000000 ]  - [   0.0002776100000000,  0.0007974100000000, -0.0012204900000000 ]  - [   0.0005553600000000, -0.0006445500000000, -0.0011918600000000 ]  - [  -0.0001105300000000,  0.0000925600000000, -0.0010862900000000 ]  - [   0.0001233100000000,  0.0001452700000000, -0.0014330600000000 ]  - [  -0.0000023800000000, -0.0002197500000000, -0.0008794400000000 ]  - [   0.0003369100000000,  0.0002287200000000, -0.0009755800000000 ]  - [   0.0000226600000000, -0.0004154500000000, -0.0009989000000000 ]  - [  -0.0003682700000000,  0.0001790800000000, -0.0009777100000000 ]  - [   0.0018416000000000,  0.0005090400000000, -0.0025134800000000 ]  - [  -0.0004239900000000,  0.0003801600000000, -0.0004524400000000 ]  - [  -0.0003599100000000, -0.0007970900000000, -0.0005753000000000 ]  - [   0.0008954000000000,  0.0003610000000000, -0.0003661600000000 ]  - [  -0.0007197800000000, -0.0002485000000000, -0.0010647900000000 ]  - [   0.0005903700000000, -0.0004841900000000, -0.0010769500000000 ]  - [   0.0001294900000000,  0.0007577500000000, -0.0010599900000000 ]  - [   0.0001527500000000,  0.0002765300000000, -0.0006391500000000 ]  - [  -0.0008286100000000, -0.0005480500000000, -0.0003741200000000 ]  - [   0.0008665200000000,  0.0001084500000000, -0.0006945500000000 ]  - [  -0.0000076200000000, -0.0006128700000000, -0.0003154400000000 ]  - [   0.0005402900000000,  0.0003008500000000, -0.0003228100000000 ]  - [  -0.0005224000000000,  0.0003044900000000, -0.0003114900000000 ]  - [  -0.0007833300000000,  0.0019361100000000, -0.0020600300000000 ]  - [  -0.0022059900000000, -0.0012578500000000, -0.0028492000000000 ]  - [  -0.0008370400000000, -0.0001787900000000, -0.0011852800000000 ]  - [   0.0002566500000000,  0.0008056400000000, -0.0011820300000000 ]  - [   0.0005685800000000, -0.0006211200000000, -0.0011696400000000 ]  - [  -0.0003439500000000,  0.0002213300000000, -0.0010026000000000 ]  - [   0.0003626200000000,  0.0001870000000000, -0.0010033200000000 ]  - [  -0.0000189000000000, -0.0004057000000000, -0.0010036100000000 ]  - [   0.0001516900000000,  0.0002054100000000, -0.0008257400000000 ]  - [   0.0000796900000000, -0.0002450200000000, -0.0008539800000000 ]  - [  -0.0002382600000000,  0.0000665800000000, -0.0008163100000000 ]  - [   0.0008161500000000, -0.0001642300000000, -0.0011933600000000 ]  - [  -0.0005408000000000,  0.0002819100000000, -0.0003171800000000 ]  - [   0.0000217800000000, -0.0005977700000000, -0.0003157100000000 ]  - [   0.0005050100000000,  0.0003174900000000, -0.0003152600000000 ]  - [  -0.0006028800000000, -0.0002654900000000, -0.0010494200000000 ]  - [   0.0005498600000000, -0.0004221700000000, -0.0010594400000000 ]  - [   0.0000763300000000,  0.0006786600000000, -0.0010614400000000 ]  - [  -0.0005504200000000, -0.0004986800000000, -0.0010575800000000 ]  - [   0.0007020300000000, -0.0002278500000000, -0.0010570500000000 ]  - [  -0.0001480400000000,  0.0007118900000000, -0.0010551500000000 ]  - [   0.0000206600000000, -0.0006314900000000, -0.0002621500000000 ]  - [   0.0005310400000000,  0.0003070400000000, -0.0002854800000000 ]  - [  -0.0005728300000000,  0.0002903500000000, -0.0002823300000000 ]  - [  -0.0002651800000000,  0.0007940300000000, -0.0012000900000000 ]  - [  -0.0005529600000000, -0.0006257900000000, -0.0011969300000000 ]  - [   0.0114443200000000, -0.0023985600000000, -0.0040892200000000 ]  - [  -0.0046781800000000,  0.0106121700000000, -0.0011528100000000 ]  - [  -0.0080122100000000, -0.0080520000000000, -0.0029150700000000 ]  - [   0.0076294000000000, -0.0107657800000000, -0.0165937000000000 ]  - [  -0.1558830500000000, -0.0234543200000000, -0.1213046700000000 ]  - [   0.0067437700000000,  0.0129227400000000, -0.0170199700000000 ]  - [  -0.0003740600000000, -0.0002443700000000,  0.0021137200000000 ]  - [   0.0019884200000000,  0.0011949700000000,  0.0033066500000000 ]  - [  -0.0015387300000000,  0.0000487600000000,  0.0030082400000000 ]  - [   0.0005972700000000,  0.0001424400000000,  0.0020540100000000 ]  - [  -0.0001604700000000, -0.0005867500000000,  0.0020615000000000 ]  - [  -0.0004509200000000,  0.0004468200000000,  0.0021077600000000 ]  - [   0.0003961800000000,  0.0004305600000000,  0.0020799300000000 ]  - [  -0.0005761300000000,  0.0001318100000000,  0.0020775100000000 ]  - [   0.0001764500000000, -0.0005638100000000,  0.0020777100000000 ]  - [   0.0003880700000000,  0.0001822000000000,  0.0019342800000000 ]  - [  -0.0000008600000000, -0.0004593100000000,  0.0019918400000000 ]  - [  -0.0003772800000000,  0.0002708900000000,  0.0020013500000000 ]  - [  -0.0201660300000000,  0.0018389900000000, -0.0151092200000000 ]  - [   0.0095074800000000,  0.0134756000000000, -0.0157629900000000 ]  - [  -0.0000617300000000, -0.0002683900000000,  0.0012069500000000 ]  - [   0.0090534100000000, -0.0129415600000000,  0.0054518100000000 ]  - [   0.0000383600000000,  0.0001941100000000,  0.0023758100000000 ]  - [  -0.0000080200000000, -0.0001593000000000,  0.0022151300000000 ]  - [  -0.0049535100000000, -0.0009923900000000, -0.0021768400000000 ]  - [  -0.0000052700000000,  0.0000021900000000,  0.0022871400000000 ]  - [   0.0000043100000000, -0.0000059300000000,  0.0022895100000000 ]  - [  -0.0000087900000000, -0.0000018900000000,  0.0022279200000000 ]  - [   0.0000021300000000,  0.0000110400000000,  0.0021413700000000 ]  - [   0.0001118300000000,  0.0002679200000000,  0.0020719000000000 ]- atom:    1  displacement:    [  -0.0049999999899176,  0.0086602540436655,  0.0000000000000000 ]  forces:  - [   0.0948595500000000, -0.0521852500000000,  0.0675879600000000 ]  - [  -0.0031186400000000, -0.0048252500000000,  0.0042349800000000 ]  - [  -0.0096473800000000,  0.0091927200000000,  0.0069697900000000 ]  - [   0.0020795200000000,  0.0011293100000000,  0.0011382800000000 ]  - [   0.0003405400000000, -0.0007366100000000,  0.0014543300000000 ]  - [  -0.0017085500000000,  0.0005908300000000,  0.0015175800000000 ]  - [   0.0077288100000000, -0.0097587700000000,  0.0102399000000000 ]  - [   0.0003870900000000,  0.0000090700000000,  0.0016678500000000 ]  - [   0.0001781000000000, -0.0004270400000000,  0.0030505400000000 ]  - [   0.0016571300000000,  0.0004059100000000, -0.0011975100000000 ]  - [  -0.0063797500000000,  0.0008351500000000, -0.0019057700000000 ]  - [   0.0018478000000000, -0.0034406400000000,  0.0001765000000000 ]  - [   0.0019417100000000,  0.0052150500000000, -0.0050431600000000 ]  - [  -0.0019250100000000,  0.0012125900000000,  0.0014891100000000 ]  - [  -0.0002226100000000,  0.0002117500000000,  0.0009773700000000 ]  - [   0.0117578700000000, -0.0083804500000000,  0.0046888100000000 ]  - [  -0.0015385600000000, -0.0006948200000000, -0.0002725800000000 ]  - [   0.0006991900000000, -0.0003798200000000,  0.0001374700000000 ]  - [  -0.0001096400000000,  0.0021086100000000, -0.0007955100000000 ]  - [   0.0016283400000000,  0.0061427100000000,  0.0034874500000000 ]  - [  -0.0045891100000000,  0.0000386900000000,  0.0025663200000000 ]  - [  -0.0381996100000000,  0.0120659100000000, -0.0415166300000000 ]  - [  -0.0008801500000000,  0.0007424200000000, -0.0005303600000000 ]  - [   0.0000810500000000, -0.0003731400000000,  0.0001042000000000 ]  - [  -0.0005533800000000, -0.0001773100000000, -0.0006793400000000 ]  - [   0.0001312000000000,  0.0005590600000000, -0.0006854300000000 ]  - [   0.0004285700000000, -0.0003877400000000, -0.0006760200000000 ]  - [   0.0001600400000000,  0.0000560700000000, -0.0007149400000000 ]  - [   0.0000190500000000, -0.0001277700000000, -0.0009805900000000 ]  - [  -0.0001856200000000,  0.0000828500000000, -0.0004346500000000 ]  - [   0.0000787800000000,  0.0002174100000000, -0.0004764700000000 ]  - [   0.0001463800000000, -0.0001828100000000, -0.0004856400000000 ]  - [  -0.0002292100000000, -0.0000367500000000, -0.0004810300000000 ]  - [   0.0018765900000000,  0.0002678400000000, -0.0024479700000000 ]  - [  -0.0003686600000000,  0.0005274200000000, -0.0000822300000000 ]  - [  -0.0002721300000000, -0.0008130900000000, -0.0002063400000000 ]  - [   0.0008405100000000,  0.0001403800000000, -0.0001635500000000 ]  - [  -0.0004523900000000, -0.0002561500000000, -0.0007586500000000 ]  - [   0.0004667600000000, -0.0002588800000000, -0.0007682800000000 ]  - [  -0.0000103000000000,  0.0005329700000000, -0.0007540500000000 ]  - [   0.0000168300000000,  0.0006301200000000, -0.0003809700000000 ]  - [  -0.0010075500000000, -0.0006961300000000, -0.0002961900000000 ]  - [   0.0008137700000000, -0.0006234700000000, -0.0002020500000000 ]  - [   0.0001199600000000, -0.0003587900000000, -0.0000032600000000 ]  - [   0.0002509800000000,  0.0002823600000000, -0.0000021900000000 ]  - [  -0.0003686700000000,  0.0000675500000000,  0.0000008900000000 ]  - [  -0.0008694500000000,  0.0021022200000000, -0.0019594200000000 ]  - [  -0.0019618400000000, -0.0015440400000000, -0.0027414700000000 ]  - [  -0.0005570900000000, -0.0001805200000000, -0.0006928400000000 ]  - [   0.0001179900000000,  0.0005798700000000, -0.0006980300000000 ]  - [   0.0004360000000000, -0.0003996600000000, -0.0006650900000000 ]  - [  -0.0000775500000000,  0.0002069400000000, -0.0004993600000000 ]  - [   0.0002180900000000, -0.0000376500000000, -0.0005019900000000 ]  - [  -0.0001417000000000, -0.0001689700000000, -0.0004968700000000 ]  - [  -0.0000405900000000,  0.0002401900000000, -0.0003989200000000 ]  - [   0.0001198100000000, -0.0000310500000000, -0.0003988100000000 ]  - [  -0.0001789500000000, -0.0001652600000000, -0.0003235300000000 ]  - [   0.0005511100000000, -0.0001768800000000, -0.0006910700000000 ]  - [  -0.0002614600000000,  0.0002706900000000, -0.0000045500000000 ]  - [  -0.0001086000000000, -0.0003470100000000, -0.0000036500000000 ]  - [   0.0003533600000000,  0.0000796700000000, -0.0000023700000000 ]  - [  -0.0003761200000000, -0.0003000100000000, -0.0007272600000000 ]  - [   0.0004203900000000, -0.0001990200000000, -0.0007531800000000 ]  - [  -0.0000259500000000,  0.0004874100000000, -0.0007284900000000 ]  - [  -0.0004191000000000, -0.0002473900000000, -0.0007413500000000 ]  - [   0.0004192200000000, -0.0002388300000000, -0.0007418600000000 ]  - [   0.0000052900000000,  0.0004720800000000, -0.0007390900000000 ]  - [   0.0001463700000000, -0.0004450300000000, -0.0000140300000000 ]  - [   0.0002609700000000,  0.0003341000000000,  0.0000219200000000 ]  - [  -0.0003786400000000,  0.0001212200000000, -0.0000033800000000 ]  - [  -0.0001218700000000,  0.0005693700000000, -0.0006947900000000 ]  - [  -0.0004326700000000, -0.0003904300000000, -0.0006967400000000 ]  - [   0.0052605100000000,  0.0001761100000000, -0.0008813300000000 ]  - [  -0.0021330700000000,  0.0018787500000000, -0.0020110700000000 ]  - [  -0.0040195100000000, -0.0060704400000000,  0.0013465100000000 ]  - [   0.0032607800000000, -0.0087829800000000, -0.0123090200000000 ]  - [  -0.0530449200000000,  0.0548786000000000, -0.0273658200000000 ]  - [   0.0034937900000000,  0.0030150900000000, -0.0062720100000000 ]  - [  -0.0000827500000000, -0.0009909100000000,  0.0013759900000000 ]  - [   0.0015980900000000,  0.0015470900000000,  0.0025890900000000 ]  - [  -0.0018690700000000,  0.0007192400000000,  0.0024723000000000 ]  - [   0.0003907500000000,  0.0000026100000000,  0.0011033000000000 ]  - [  -0.0001751900000000, -0.0003380000000000,  0.0011121200000000 ]  - [  -0.0002247600000000,  0.0003587100000000,  0.0011184300000000 ]  - [   0.0001761600000000,  0.0002944800000000,  0.0011237500000000 ]  - [  -0.0003492900000000,  0.0000066800000000,  0.0011281500000000 ]  - [   0.0001687400000000, -0.0003054300000000,  0.0011254400000000 ]  - [   0.0002645500000000,  0.0002139600000000,  0.0009859900000000 ]  - [  -0.0001139500000000, -0.0003200800000000,  0.0010818600000000 ]  - [  -0.0001303800000000,  0.0001698100000000,  0.0010764700000000 ]  - [  -0.0154199400000000,  0.0069908500000000, -0.0118796800000000 ]  - [  -0.0000703700000000, -0.0003598900000000, -0.0027249400000000 ]  - [   0.0008158000000000, -0.0005178200000000,  0.0003938200000000 ]  - [   0.0073323500000000, -0.0116909900000000,  0.0064029300000000 ]  - [  -0.0000651000000000,  0.0000599900000000,  0.0011954500000000 ]  - [  -0.0000035200000000, -0.0001549900000000,  0.0012502200000000 ]  - [  -0.0004547300000000,  0.0007999000000000, -0.0022323700000000 ]  - [   0.0000010500000000,  0.0000048100000000,  0.0012677600000000 ]  - [   0.0000083300000000, -0.0000097300000000,  0.0012766700000000 ]  - [  -0.0000065200000000,  0.0000266600000000,  0.0011732200000000 ]  - [  -0.0000003400000000,  0.0000059300000000,  0.0011242200000000 ]  - [  -0.0004737000000000, -0.0003440600000000,  0.0013007700000000 ]- atom:    1  displacement:    [   0.0049999999899176, -0.0086602540436655,  0.0000000000000000 ]  forces:  - [  -0.0945497300000000,  0.0519654800000000, -0.0669152900000000 ]  - [   0.0030191400000000,  0.0053876600000000, -0.0043815600000000 ]  - [   0.0100198900000000, -0.0092524100000000, -0.0070543500000000 ]  - [  -0.0015746500000000, -0.0007301500000000, -0.0008826700000000 ]  - [  -0.0002450000000000,  0.0001076000000000, -0.0012032000000000 ]  - [   0.0011130700000000, -0.0003620800000000, -0.0012651400000000 ]  - [  -0.0082116100000000,  0.0100707400000000, -0.0102081600000000 ]  - [   0.0002087800000000,  0.0002325400000000, -0.0014364500000000 ]  - [  -0.0002556900000000, -0.0002142600000000, -0.0027940000000000 ]  - [  -0.0011664100000000, -0.0007903600000000,  0.0010066800000000 ]  - [   0.0065112200000000, -0.0002778900000000,  0.0026069900000000 ]  - [  -0.0024050100000000,  0.0033261800000000,  0.0005698300000000 ]  - [  -0.0015385700000000, -0.0055876800000000,  0.0056977700000000 ]  - [   0.0017071700000000, -0.0017152700000000, -0.0021971700000000 ]  - [   0.0007514800000000, -0.0001232500000000, -0.0016991600000000 ]  - [  -0.0122390500000000,  0.0086314600000000, -0.0054961800000000 ]  - [   0.0009513300000000,  0.0008455600000000, -0.0004629700000000 ]  - [  -0.0005237900000000, -0.0002000400000000, -0.0008764300000000 ]  - [   0.0005406600000000, -0.0016758400000000,  0.0000577900000000 ]  - [  -0.0011130500000000, -0.0062473800000000, -0.0027300300000000 ]  - [   0.0044249600000000,  0.0004698500000000, -0.0018188700000000 ]  - [   0.0385265100000000, -0.0126785300000000,  0.0429416300000000 ]  - [   0.0009722100000000, -0.0001222600000000,  0.0003377200000000 ]  - [  -0.0006585100000000,  0.0001549600000000, -0.0002933400000000 ]  - [   0.0000706900000000, -0.0002156300000000,  0.0004795100000000 ]  - [  -0.0002292900000000,  0.0000616100000000,  0.0004750800000000 ]  - [   0.0001529400000000,  0.0001648800000000,  0.0004727300000000 ]  - [   0.0003161800000000,  0.0003439800000000,  0.0009094000000000 ]  - [   0.0000860400000000, -0.0004781300000000,  0.0011696100000000 ]  - [  -0.0003921200000000,  0.0001244800000000,  0.0006185300000000 ]  - [  -0.0005419500000000,  0.0001767200000000,  0.0006907800000000 ]  - [   0.0004231500000000,  0.0003860500000000,  0.0006890400000000 ]  - [   0.0001211500000000, -0.0005599800000000,  0.0006881500000000 ]  - [  -0.0014290200000000, -0.0006500200000000,  0.0022475100000000 ]  - [   0.0005057200000000,  0.0000460400000000,  0.0008151300000000 ]  - [  -0.0003049100000000,  0.0006596000000000,  0.0009402900000000 ]  - [  -0.0004218700000000, -0.0005546400000000,  0.0008996300000000 ]  - [   0.0002843600000000, -0.0003208000000000,  0.0000105900000000 ]  - [   0.0001163700000000,  0.0004029200000000,  0.0000230800000000 ]  - [  -0.0003968800000000, -0.0000919900000000,  0.0000098800000000 ]  - [  -0.0005878800000000, -0.0005511000000000, -0.0003657300000000 ]  - [   0.0012361300000000,  0.0001530000000000, -0.0004438700000000 ]  - [  -0.0004478300000000,  0.0010960500000000, -0.0005433400000000 ]  - [   0.0004456500000000,  0.0002415000000000,  0.0007259900000000 ]  - [  -0.0004482300000000,  0.0002665600000000,  0.0007281600000000 ]  - [  -0.0000044900000000, -0.0005120500000000,  0.0007277400000000 ]  - [   0.0009832000000000, -0.0015147500000000,  0.0017532500000000 ]  - [   0.0013885300000000,  0.0013458600000000,  0.0025245400000000 ]  - [   0.0000800000000000, -0.0002119400000000,  0.0004598200000000 ]  - [  -0.0002238600000000,  0.0000210800000000,  0.0004752500000000 ]  - [   0.0001435500000000,  0.0001845300000000,  0.0004296900000000 ]  - [   0.0005529500000000,  0.0001792500000000,  0.0006863100000000 ]  - [  -0.0001218600000000, -0.0005666700000000,  0.0006864400000000 ]  - [  -0.0004308100000000,  0.0003899000000000,  0.0006827800000000 ]  - [  -0.0004444200000000,  0.0001583800000000,  0.0006020000000000 ]  - [   0.0004516600000000,  0.0002392700000000,  0.0005745000000000 ]  - [   0.0000777100000000, -0.0004497100000000,  0.0005185400000000 ]  - [  -0.0000675000000000, -0.0002056900000000,  0.0004896700000000 ]  - [   0.0003986400000000,  0.0002412900000000,  0.0007283300000000 ]  - [  -0.0004122200000000,  0.0002295200000000,  0.0007312800000000 ]  - [   0.0000079300000000, -0.0004728500000000,  0.0007309100000000 ]  - [   0.0001715000000000, -0.0002472600000000, -0.0000104900000000 ]  - [   0.0001609900000000,  0.0002800900000000,  0.0000113400000000 ]  - [  -0.0003432700000000, -0.0000317400000000, -0.0000066100000000 ]  - [  -0.0001108100000000,  0.0003490600000000, -0.0000010500000000 ]  - [  -0.0002515300000000, -0.0002699400000000,  0.0000012200000000 ]  - [   0.0003642800000000, -0.0000891000000000,  0.0000025200000000 ]  - [   0.0004320400000000,  0.0002949900000000,  0.0007480500000000 ]  - [  -0.0004215700000000,  0.0002410500000000,  0.0007126500000000 ]  - [  -0.0000368500000000, -0.0005522200000000,  0.0007427600000000 ]  - [   0.0002111700000000,  0.0000483200000000,  0.0004817700000000 ]  - [  -0.0001460000000000,  0.0001616600000000,  0.0004875100000000 ]  - [  -0.0053519400000000,  0.0000915500000000,  0.0008630100000000 ]  - [   0.0019593800000000, -0.0021267000000000,  0.0020027400000000 ]  - [   0.0042682300000000,  0.0059962900000000, -0.0013614000000000 ]  - [  -0.0030413400000000,  0.0084605800000000,  0.0121395500000000 ]  - [   0.0519454700000000, -0.0546530500000000,  0.0265065300000000 ]  - [  -0.0033451500000000, -0.0027024700000000,  0.0061930600000000 ]  - [  -0.0000783400000000,  0.0013133200000000, -0.0013688400000000 ]  - [  -0.0017597100000000, -0.0018523500000000, -0.0025907600000000 ]  - [   0.0022231800000000, -0.0007391900000000, -0.0024684600000000 ]  - [  -0.0002348200000000, -0.0002852300000000, -0.0010935300000000 ]  - [  -0.0001550400000000,  0.0003389100000000, -0.0010918100000000 ]  - [   0.0003778500000000, -0.0000621200000000, -0.0011077100000000 ]  - [  -0.0003386600000000, -0.0000162200000000, -0.0011085400000000 ]  - [   0.0001840300000000, -0.0002829900000000, -0.0011145200000000 ]  - [   0.0001518100000000,  0.0002976000000000, -0.0011127300000000 ]  - [  -0.0000927800000000, -0.0005019300000000, -0.0009752300000000 ]  - [  -0.0002092500000000,  0.0003130100000000, -0.0010604000000000 ]  - [   0.0003033900000000,  0.0001069600000000, -0.0010630800000000 ]  - [   0.0150977200000000, -0.0071347100000000,  0.0116300800000000 ]  - [   0.0001411100000000,  0.0004513600000000,  0.0024401500000000 ]  - [  -0.0008113700000000,  0.0005196200000000, -0.0005434400000000 ]  - [  -0.0073321200000000,  0.0116819400000000, -0.0062718200000000 ]  - [   0.0000617400000000, -0.0000556500000000, -0.0010096900000000 ]  - [   0.0000074900000000,  0.0001534400000000, -0.0013935900000000 ]  - [   0.0003233600000000, -0.0008096000000000,  0.0021416500000000 ]  - [   0.0000037400000000, -0.0000011700000000, -0.0011085800000000 ]  - [  -0.0000014300000000,  0.0000154200000000, -0.0010927000000000 ]  - [   0.0000025600000000, -0.0000199500000000, -0.0012918600000000 ]  - [  -0.0000005500000000,  0.0000037100000000, -0.0012726000000000 ]  - [   0.0004687300000000,  0.0003435200000000, -0.0011298200000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.2170830900000000, -0.0462401000000000, -0.3497540500000000 ]  - [   0.0069911200000000,  0.0089580900000000, -0.0127410300000000 ]  - [   0.0062456600000000, -0.0085290100000000, -0.0127472000000000 ]  - [  -0.0047899500000000, -0.0015449500000000, -0.0050693800000000 ]  - [   0.0014431300000000,  0.0048811500000000, -0.0047982600000000 ]  - [   0.0023685500000000, -0.0029600000000000, -0.0048013500000000 ]  - [   0.0033680700000000,  0.0101359700000000,  0.0502412100000000 ]  - [  -0.0027404500000000, -0.0034377500000000, -0.0071609800000000 ]  - [  -0.0029767900000000,  0.0029876600000000, -0.0068112100000000 ]  - [  -0.0021636000000000, -0.0015121600000000,  0.0011664200000000 ]  - [   0.0124527000000000, -0.0014290700000000,  0.0042109200000000 ]  - [  -0.0000482400000000,  0.0114472300000000,  0.0075650100000000 ]  - [  -0.0027642300000000, -0.0126269900000000,  0.0087889200000000 ]  - [   0.0006497900000000, -0.0005688500000000, -0.0041976000000000 ]  - [   0.0012943300000000,  0.0006431800000000, -0.0041649600000000 ]  - [   0.0179321600000000,  0.0152266300000000, -0.0075511800000000 ]  - [   0.0010791400000000,  0.0004582900000000, -0.0003817300000000 ]  - [  -0.0015687600000000,  0.0014302900000000,  0.0001715000000000 ]  - [  -0.0000994700000000, -0.0030187700000000, -0.0001736800000000 ]  - [  -0.0010840800000000, -0.0053539700000000, -0.0041943600000000 ]  - [   0.0058623200000000,  0.0011166800000000, -0.0046596300000000 ]  - [   0.0285577600000000, -0.0128670700000000,  0.0163300100000000 ]  - [   0.0018971900000000, -0.0008756800000000,  0.0006429400000000 ]  - [  -0.0001869900000000,  0.0029783100000000,  0.0015160500000000 ]  - [   0.0008233000000000, -0.0002501000000000,  0.0018998300000000 ]  - [  -0.0005955900000000, -0.0005883800000000,  0.0019713100000000 ]  - [  -0.0001874800000000,  0.0008461600000000,  0.0019202400000000 ]  - [   0.0014294700000000, -0.0000612800000000,  0.0020097700000000 ]  - [  -0.0004803000000000, -0.0011254900000000,  0.0020343900000000 ]  - [  -0.0007401500000000,  0.0016159800000000,  0.0020354400000000 ]  - [  -0.0013162000000000,  0.0001440400000000,  0.0021512900000000 ]  - [   0.0007962800000000,  0.0010788400000000,  0.0021961600000000 ]  - [   0.0005338600000000, -0.0012114600000000,  0.0021568400000000 ]  - [  -0.0000806500000000, -0.0012865300000000,  0.0011502700000000 ]  - [   0.0013295500000000,  0.0007623700000000,  0.0016642300000000 ]  - [  -0.0005373600000000,  0.0008075200000000,  0.0014790700000000 ]  - [  -0.0005038100000000, -0.0018317100000000,  0.0014113300000000 ]  - [   0.0010708000000000, -0.0003330500000000,  0.0009014900000000 ]  - [  -0.0002283600000000,  0.0010760900000000,  0.0009125900000000 ]  - [  -0.0008251000000000, -0.0007594700000000,  0.0009065600000000 ]  - [  -0.0006392800000000,  0.0031742700000000,  0.0018861100000000 ]  - [  -0.0015130400000000, -0.0003484200000000,  0.0006026400000000 ]  - [   0.0005409900000000, -0.0026396100000000,  0.0017574300000000 ]  - [   0.0008182500000000,  0.0009760600000000,  0.0016480500000000 ]  - [  -0.0012726500000000,  0.0002193900000000,  0.0016776100000000 ]  - [   0.0004258200000000, -0.0012029400000000,  0.0016481500000000 ]  - [   0.0004872900000000,  0.0002895500000000,  0.0006302100000000 ]  - [   0.0008793800000000,  0.0003399700000000,  0.0014992000000000 ]  - [   0.0008470300000000, -0.0002386500000000,  0.0018827800000000 ]  - [  -0.0006258700000000, -0.0006158900000000,  0.0019065100000000 ]  - [  -0.0002414600000000,  0.0008664400000000,  0.0019548600000000 ]  - [   0.0013368300000000,  0.0001417200000000,  0.0021681300000000 ]  - [  -0.0005441000000000, -0.0012307400000000,  0.0021720500000000 ]  - [  -0.0007883200000000,  0.0010876200000000,  0.0021719100000000 ]  - [  -0.0011781600000000,  0.0001562500000000,  0.0019813500000000 ]  - [   0.0007476300000000,  0.0009365000000000,  0.0020238000000000 ]  - [   0.0003734900000000, -0.0011233200000000,  0.0020877200000000 ]  - [  -0.0008426300000000, -0.0002448100000000,  0.0019557700000000 ]  - [   0.0012433300000000,  0.0002058100000000,  0.0016568700000000 ]  - [  -0.0008034600000000,  0.0009800400000000,  0.0016570900000000 ]  - [  -0.0004498900000000, -0.0011841700000000,  0.0016578300000000 ]  - [   0.0009523700000000, -0.0003125800000000,  0.0009579500000000 ]  - [  -0.0001918800000000,  0.0009724300000000,  0.0009159200000000 ]  - [  -0.0007182500000000, -0.0006672300000000,  0.0009087200000000 ]  - [   0.0002718500000000,  0.0010756900000000,  0.0009223100000000 ]  - [  -0.0010696400000000, -0.0003029900000000,  0.0009242000000000 ]  - [   0.0008027700000000, -0.0007806900000000,  0.0009249200000000 ]  - [   0.0007624500000000,  0.0009167900000000,  0.0015987100000000 ]  - [  -0.0012139000000000,  0.0002542300000000,  0.0015931800000000 ]  - [   0.0004283400000000, -0.0011919200000000,  0.0016157500000000 ]  - [   0.0006327000000000, -0.0006058400000000,  0.0019548800000000 ]  - [   0.0002055400000000,  0.0008513500000000,  0.0019566000000000 ]  - [  -0.0084642600000000,  0.0027779100000000,  0.0033019800000000 ]  - [   0.0035996900000000, -0.0142000400000000,  0.0006604800000000 ]  - [   0.0098703300000000,  0.0127346500000000,  0.0009402600000000 ]  - [  -0.0015735400000000,  0.0048593200000000,  0.0180542500000000 ]  - [   0.1383289000000000,  0.0357198400000000,  0.2690758700000000 ]  - [  -0.0039457000000000, -0.0046472800000000,  0.0192773900000000 ]  - [  -0.0010311400000000, -0.0040294900000000, -0.0030025200000000 ]  - [   0.0000216600000000, -0.0007787300000000, -0.0030910300000000 ]  - [  -0.0006875500000000,  0.0035434100000000, -0.0035554800000000 ]  - [  -0.0008333000000000, -0.0006576600000000, -0.0038654800000000 ]  - [  -0.0001165700000000,  0.0010610600000000, -0.0038420900000000 ]  - [   0.0009666100000000, -0.0003558300000000, -0.0039689600000000 ]  - [  -0.0009967900000000, -0.0004017500000000, -0.0039090700000000 ]  - [   0.0008443700000000, -0.0006586200000000, -0.0039105600000000 ]  - [   0.0001507300000000,  0.0010612300000000, -0.0039035900000000 ]  - [  -0.0006195000000000, -0.0006236200000000, -0.0039383300000000 ]  - [  -0.0003204100000000,  0.0009703100000000, -0.0037530700000000 ]  - [   0.0008894800000000, -0.0002751400000000, -0.0038111400000000 ]  - [   0.0011649800000000, -0.0004752400000000,  0.0158932200000000 ]  - [  -0.0042654600000000, -0.0073220000000000,  0.0177042900000000 ]  - [   0.0004517300000000,  0.0001263700000000, -0.0034162800000000 ]  - [  -0.0069570500000000,  0.0101444900000000, -0.0012075500000000 ]  - [  -0.0003200400000000, -0.0001163200000000, -0.0039408100000000 ]  - [  -0.0000787900000000, -0.0000283000000000, -0.0042086700000000 ]  - [   0.0188731500000000,  0.0028849200000000, -0.0061733000000000 ]  - [   0.0000248000000000,  0.0000029300000000, -0.0041246700000000 ]  - [   0.0000165100000000, -0.0000149900000000, -0.0040833600000000 ]  - [  -0.0000427600000000,  0.0000021500000000, -0.0043260500000000 ]  - [  -0.0000090400000000, -0.0000116300000000, -0.0042607600000000 ]  - [   0.0002709400000000, -0.0002288800000000, -0.0037413700000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.2057198000000000,  0.0424805600000000,  0.3355186700000000 ]  - [  -0.0070166800000000, -0.0083020100000000,  0.0125431200000000 ]  - [  -0.0055850200000000,  0.0082407900000000,  0.0125331200000000 ]  - [   0.0053124300000000,  0.0019423400000000,  0.0053619300000000 ]  - [  -0.0013502000000000, -0.0055289000000000,  0.0050858800000000 ]  - [  -0.0029756300000000,  0.0032059600000000,  0.0050853200000000 ]  - [  -0.0037960600000000, -0.0093655400000000, -0.0484750500000000 ]  - [   0.0033296800000000,  0.0036640000000000,  0.0073605500000000 ]  - [   0.0028742700000000, -0.0035977300000000,  0.0070016200000000 ]  - [   0.0026737300000000,  0.0011265600000000, -0.0013750700000000 ]  - [  -0.0123393600000000,  0.0019891500000000, -0.0035171000000000 ]  - [  -0.0005503400000000, -0.0116228600000000, -0.0069133300000000 ]  - [   0.0031437000000000,  0.0123001100000000, -0.0081565500000000 ]  - [  -0.0008374100000000,  0.0000592500000000,  0.0034478400000000 ]  - [  -0.0007502200000000, -0.0005767700000000,  0.0034209900000000 ]  - [  -0.0183507600000000, -0.0148901400000000,  0.0065692300000000 ]  - [  -0.0016832500000000, -0.0003382100000000, -0.0003587900000000 ]  - [   0.0017695300000000, -0.0020097900000000, -0.0009108500000000 ]  - [   0.0005183100000000,  0.0034767800000000, -0.0005649600000000 ]  - [   0.0016096000000000,  0.0052582300000000,  0.0049231300000000 ]  - [  -0.0060490500000000, -0.0006119500000000,  0.0053928100000000 ]  - [  -0.0285283000000000,  0.0123449900000000, -0.0155870700000000 ]  - [  -0.0018199700000000,  0.0015153600000000, -0.0008622100000000 ]  - [  -0.0003993000000000, -0.0032311900000000, -0.0017361100000000 ]  - [  -0.0013294500000000, -0.0001471800000000, -0.0021267600000000 ]  - [   0.0005036600000000,  0.0012134800000000, -0.0021831000000000 ]  - [   0.0007752900000000, -0.0010801000000000, -0.0021334100000000 ]  - [  -0.0009205700000000,  0.0004554100000000, -0.0017885200000000 ]  - [   0.0005689300000000,  0.0004939100000000, -0.0018202900000000 ]  - [   0.0001487400000000, -0.0013728500000000, -0.0018201700000000 ]  - [   0.0008290900000000,  0.0002481900000000, -0.0019081400000000 ]  - [  -0.0002141900000000, -0.0008547800000000, -0.0019594300000000 ]  - [  -0.0006310400000000,  0.0005923900000000, -0.0019188100000000 ]  - [   0.0005797400000000,  0.0008912700000000, -0.0014103100000000 ]  - [  -0.0011501300000000, -0.0001822500000000, -0.0009210800000000 ]  - [  -0.0000579400000000, -0.0009306900000000, -0.0007407600000000 ]  - [   0.0009057100000000,  0.0013764000000000, -0.0006679400000000 ]  - [  -0.0012438400000000, -0.0002431200000000, -0.0016520900000000 ]  - [   0.0008182500000000, -0.0009492900000000, -0.0016609500000000 ]  - [   0.0004284100000000,  0.0012143500000000, -0.0016551100000000 ]  - [   0.0000516200000000, -0.0030658600000000, -0.0026073000000000 ]  - [   0.0017241200000000, -0.0001993400000000, -0.0013394000000000 ]  - [  -0.0001782400000000,  0.0030890600000000, -0.0024858600000000 ]  - [  -0.0002333700000000, -0.0010519000000000, -0.0009130500000000 ]  - [   0.0010469700000000,  0.0003257300000000, -0.0009378800000000 ]  - [  -0.0007780900000000,  0.0007266800000000, -0.0009055600000000 ]  - [  -0.0003933400000000,  0.0003437500000000, -0.0008852200000000 ]  - [  -0.0014775500000000, -0.0005734600000000, -0.0017637100000000 ]  - [  -0.0013455500000000, -0.0001572300000000, -0.0021363000000000 ]  - [   0.0005285200000000,  0.0012366200000000, -0.0021530900000000 ]  - [   0.0008245500000000, -0.0010924700000000, -0.0021947900000000 ]  - [  -0.0008320600000000,  0.0002459500000000, -0.0019417500000000 ]  - [   0.0006278300000000,  0.0005983800000000, -0.0019472500000000 ]  - [   0.0001988500000000, -0.0008438100000000, -0.0019477600000000 ]  - [   0.0006662800000000,  0.0002398200000000, -0.0017508400000000 ]  - [  -0.0001537000000000, -0.0006976700000000, -0.0017986500000000 ]  - [  -0.0004607600000000,  0.0004836000000000, -0.0018620800000000 ]  - [   0.0013473800000000, -0.0001410400000000, -0.0021775800000000 ]  - [  -0.0010597900000000,  0.0003002700000000, -0.0009178700000000 ]  - [   0.0002697300000000, -0.0010710300000000, -0.0009138900000000 ]  - [   0.0007975100000000,  0.0007713600000000, -0.0009146100000000 ]  - [  -0.0011857900000000, -0.0002327500000000, -0.0016989200000000 ]  - [   0.0007792300000000, -0.0009059500000000, -0.0016609800000000 ]  - [   0.0003708300000000,  0.0011525900000000, -0.0016477400000000 ]  - [  -0.0008064300000000, -0.0009872600000000, -0.0016681800000000 ]  - [   0.0012601500000000, -0.0002039900000000, -0.0016692900000000 ]  - [  -0.0004547200000000,  0.0011912000000000, -0.0016646600000000 ]  - [  -0.0001702700000000, -0.0010374100000000, -0.0008517200000000 ]  - [   0.0010168200000000,  0.0003164900000000, -0.0008444200000000 ]  - [  -0.0008289500000000,  0.0007387700000000, -0.0008624700000000 ]  - [  -0.0005525500000000,  0.0012402200000000, -0.0021852800000000 ]  - [  -0.0007951000000000, -0.0010978400000000, -0.0021832600000000 ]  - [   0.0083915300000000, -0.0025192600000000, -0.0033374500000000 ]  - [  -0.0038036100000000,  0.0140032000000000, -0.0007038400000000 ]  - [  -0.0096493200000000, -0.0128135800000000, -0.0010003300000000 ]  - [   0.0017151500000000, -0.0051160700000000, -0.0179523100000000 ]  - [  -0.1272899700000000, -0.0326877300000000, -0.2556438600000000 ]  - [   0.0040619200000000,  0.0049070400000000, -0.0192172400000000 ]  - [   0.0008643200000000,  0.0042566900000000,  0.0030059400000000 ]  - [  -0.0001471500000000,  0.0005033200000000,  0.0031045700000000 ]  - [   0.0009840200000000, -0.0035084100000000,  0.0035669400000000 ]  - [   0.0009816900000000,  0.0003836000000000,  0.0038598100000000 ]  - [  -0.0002021000000000, -0.0010589900000000,  0.0038481300000000 ]  - [  -0.0008180300000000,  0.0006408700000000,  0.0039643900000000 ]  - [   0.0008358900000000,  0.0006664500000000,  0.0039164100000000 ]  - [  -0.0009992500000000,  0.0003911000000000,  0.0039167800000000 ]  - [   0.0001579800000000, -0.0010672000000000,  0.0039095800000000 ]  - [   0.0007782700000000,  0.0003452800000000,  0.0039245100000000 ]  - [   0.0000123700000000, -0.0009721100000000,  0.0037524300000000 ]  - [  -0.0007194300000000,  0.0005354500000000,  0.0038006000000000 ]  - [  -0.0021401900000000,  0.0005696000000000, -0.0162721800000000 ]  - [   0.0043024400000000,  0.0073693400000000, -0.0179489500000000 ]  - [  -0.0004446600000000, -0.0001250400000000,  0.0032409700000000 ]  - [   0.0069719300000000, -0.0101590500000000,  0.0014183200000000 ]  - [   0.0003157200000000,  0.0001169800000000,  0.0041008100000000 ]  - [   0.0000757500000000,  0.0000256300000000,  0.0040446200000000 ]  - [  -0.0187088600000000, -0.0028463000000000,  0.0060071600000000 ]  - [  -0.0000231600000000, -0.0000034500000000,  0.0042752700000000 ]  - [  -0.0000118800000000,  0.0000181100000000,  0.0042508500000000 ]  - [   0.0000379400000000,  0.0000018800000000,  0.0041871600000000 ]  - [   0.0000096000000000,  0.0000164400000000,  0.0041041500000000 ]  - [  -0.0002731900000000,  0.0002305900000000,  0.0038878600000000 ]- atom:   11  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0137760200000000,  0.0004131300000000,  0.0123526800000000 ]  - [  -0.0040747600000000, -0.0085386900000000,  0.0097439500000000 ]  - [  -0.0040154800000000,  0.0087685300000000,  0.0121767000000000 ]  - [   0.0059520500000000,  0.0014024900000000,  0.0008664900000000 ]  - [   0.0004406700000000, -0.0057939300000000,  0.0001417800000000 ]  - [   0.0397772000000000, -0.0245963900000000, -0.0218173900000000 ]  - [   0.0006927700000000,  0.0009436300000000,  0.0017418800000000 ]  - [   0.0005218700000000, -0.0005102400000000,  0.0026240200000000 ]  - [  -0.0011013600000000, -0.0003958700000000,  0.0027692700000000 ]  - [   0.0076521000000000,  0.0007521600000000, -0.0060790200000000 ]  - [  -0.4774851200000000,  0.0423996400000000, -0.0860155500000000 ]  - [   0.0111580300000000, -0.0194264500000000, -0.0060083400000000 ]  - [   0.0166861900000000,  0.0162484900000000, -0.0064884900000000 ]  - [  -0.0070310700000000,  0.0002219500000000, -0.0023206200000000 ]  - [   0.0021697600000000, -0.0061943200000000, -0.0015411100000000 ]  - [   0.0050653700000000,  0.0045537200000000, -0.0026500100000000 ]  - [   0.0405988100000000,  0.0261578100000000,  0.0153847800000000 ]  - [   0.0089795600000000, -0.0010646000000000, -0.0041909900000000 ]  - [  -0.0009055200000000,  0.0071943100000000, -0.0035185900000000 ]  - [  -0.0004501300000000,  0.0025543900000000,  0.0021755000000000 ]  - [  -0.0021480300000000, -0.0010711100000000,  0.0018883900000000 ]  - [   0.0026385300000000, -0.0010410500000000,  0.0019910900000000 ]  - [   0.0298401700000000, -0.0214463600000000,  0.0249302700000000 ]  - [  -0.0006460600000000, -0.0073261700000000, -0.0053912200000000 ]  - [   0.0003529000000000, -0.0002267400000000,  0.0010472700000000 ]  - [  -0.0003707700000000, -0.0001930800000000,  0.0010458800000000 ]  - [   0.0000175700000000,  0.0004194800000000,  0.0010496900000000 ]  - [   0.0008894600000000,  0.0001415600000000,  0.0012777000000000 ]  - [  -0.0003305600000000, -0.0008278600000000,  0.0012488600000000 ]  - [  -0.0005613300000000,  0.0006962500000000,  0.0012757500000000 ]  - [  -0.0008677600000000,  0.0001655000000000,  0.0012949400000000 ]  - [   0.0005772300000000,  0.0006663300000000,  0.0012889200000000 ]  - [   0.0002903000000000, -0.0008338200000000,  0.0012899200000000 ]  - [  -0.0003652100000000, -0.0002378500000000,  0.0009994200000000 ]  - [   0.0008261700000000,  0.0002667800000000,  0.0010933200000000 ]  - [  -0.0006610600000000,  0.0005681700000000,  0.0010776700000000 ]  - [  -0.0001676700000000, -0.0008423100000000,  0.0010940900000000 ]  - [   0.0005582400000000, -0.0003142700000000,  0.0003499200000000 ]  - [  -0.0000055000000000,  0.0006428500000000,  0.0003514400000000 ]  - [  -0.0005485200000000, -0.0003224200000000,  0.0003525000000000 ]  - [   0.0000937300000000,  0.0007573600000000,  0.0004402400000000 ]  - [  -0.0007347800000000, -0.0003274700000000,  0.0004617500000000 ]  - [   0.0006385800000000, -0.0004307200000000,  0.0004326000000000 ]  - [   0.0005984500000000,  0.0005476700000000,  0.0011058700000000 ]  - [  -0.0007773700000000,  0.0002454800000000,  0.0011072200000000 ]  - [   0.0001805900000000, -0.0008007700000000,  0.0011091500000000 ]  - [   0.0004249300000000, -0.0001810800000000,  0.0010265600000000 ]  - [  -0.0000734800000000,  0.0004647200000000,  0.0009564500000000 ]  - [   0.0002385500000000, -0.0004178800000000,  0.0011185500000000 ]  - [  -0.0006919000000000,  0.0000062000000000,  0.0007558900000000 ]  - [   0.0000832400000000,  0.0007166500000000,  0.0016160000000000 ]  - [   0.0007602700000000,  0.0001647100000000,  0.0011844100000000 ]  - [  -0.0002316700000000, -0.0007745700000000,  0.0011739400000000 ]  - [  -0.0005114000000000,  0.0006059600000000,  0.0011730700000000 ]  - [  -0.0021234800000000,  0.0005823000000000,  0.0017981000000000 ]  - [   0.0005812800000000,  0.0017671800000000,  0.0011444500000000 ]  - [   0.0017573900000000, -0.0006987500000000,  0.0027769000000000 ]  - [  -0.0003848700000000, -0.0002272800000000,  0.0010518100000000 ]  - [   0.0008353100000000,  0.0002349000000000,  0.0011275300000000 ]  - [  -0.0005877100000000,  0.0006106600000000,  0.0011104200000000 ]  - [  -0.0002547000000000, -0.0008108700000000,  0.0011408900000000 ]  - [   0.0021320100000000, -0.0003830500000000,  0.0004576500000000 ]  - [  -0.0005150600000000,  0.0011080500000000,  0.0000264200000000 ]  - [  -0.0009900500000000, -0.0008382700000000,  0.0000559000000000 ]  - [   0.0000390000000000,  0.0005881700000000,  0.0003365700000000 ]  - [  -0.0005185600000000, -0.0002699100000000,  0.0003434100000000 ]  - [   0.0004969200000000, -0.0003449400000000,  0.0003608200000000 ]  - [   0.0021153600000000,  0.0010831900000000,  0.0024067200000000 ]  - [  -0.0021441000000000, -0.0006143100000000,  0.0018280300000000 ]  - [   0.0008285000000000, -0.0020635700000000,  0.0013303600000000 ]  - [   0.0003820000000000, -0.0002001300000000,  0.0010224500000000 ]  - [  -0.0000147200000000,  0.0004305600000000,  0.0010307900000000 ]  - [   0.3327588000000000, -0.0242447400000000,  0.0439077100000000 ]  - [  -0.0100879600000000,  0.0195401700000000,  0.0080091900000000 ]  - [  -0.0137939000000000, -0.0173089000000000,  0.0076620700000000 ]  - [   0.0107985500000000, -0.0062547500000000, -0.0092169700000000 ]  - [  -0.0098724200000000, -0.0055654600000000, -0.0066113200000000 ]  - [   0.0020267700000000,  0.0092982500000000, -0.0080780800000000 ]  - [  -0.0007582800000000, -0.0003180700000000, -0.0021984000000000 ]  - [   0.0007741500000000, -0.0004461000000000, -0.0021119600000000 ]  - [   0.0000599000000000,  0.0008028400000000, -0.0021672600000000 ]  - [  -0.0004491700000000, -0.0004344000000000, -0.0022155900000000 ]  - [  -0.0001513700000000,  0.0006033000000000, -0.0022115500000000 ]  - [   0.0005902900000000, -0.0001645200000000, -0.0022154100000000 ]  - [  -0.0007085100000000, -0.0001063200000000, -0.0021357900000000 ]  - [   0.0004003700000000, -0.0005138500000000, -0.0021324700000000 ]  - [   0.0003043100000000,  0.0006461000000000, -0.0021813800000000 ]  - [  -0.0032420300000000, -0.0010663400000000, -0.0041002700000000 ]  - [   0.0011007200000000,  0.0016269700000000, -0.0019004600000000 ]  - [   0.0031548200000000, -0.0003629500000000, -0.0013703100000000 ]  - [   0.0169819000000000, -0.0018210500000000,  0.0142494800000000 ]  - [  -0.0049957800000000,  0.0172059800000000,  0.0167310700000000 ]  - [  -0.0053873600000000, -0.0181391500000000, -0.0069461400000000 ]  - [  -0.0000083500000000, -0.0004411500000000, -0.0018145000000000 ]  - [  -0.0000001600000000,  0.0000137700000000, -0.0022443500000000 ]  - [  -0.0000013400000000, -0.0000089900000000, -0.0024580400000000 ]  - [  -0.0002876000000000,  0.0000097900000000, -0.0030998300000000 ]  - [   0.0000075600000000,  0.0000005500000000, -0.0023047300000000 ]  - [   0.0000430700000000, -0.0003675700000000, -0.0024441500000000 ]  - [  -0.0002445900000000,  0.0000339900000000, -0.0016491100000000 ]  - [  -0.0000045400000000,  0.0000176300000000, -0.0024718400000000 ]  - [  -0.0083651700000000,  0.0132611800000000, -0.0061933000000000 ]- atom:   11  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0141147700000000, -0.0008100300000000, -0.0124305300000000 ]  - [   0.0039102100000000,  0.0091648800000000, -0.0099823200000000 ]  - [   0.0045083000000000, -0.0089589700000000, -0.0123633300000000 ]  - [  -0.0054456800000000, -0.0009832900000000, -0.0006249600000000 ]  - [  -0.0003344100000000,  0.0051395500000000,  0.0001024900000000 ]  - [  -0.0409788600000000,  0.0251739500000000,  0.0224018200000000 ]  - [  -0.0012079400000000, -0.0005528700000000, -0.0014815500000000 ]  - [   0.0000673100000000,  0.0007571000000000, -0.0024092800000000 ]  - [   0.0010164500000000, -0.0002392000000000, -0.0025385500000000 ]  - [  -0.0071027800000000, -0.0011404000000000,  0.0058218200000000 ]  - [   0.5045302699999999, -0.0447060100000000,  0.0900184100000000 ]  - [  -0.0116537200000000,  0.0191595600000000,  0.0066765400000000 ]  - [  -0.0161617500000000, -0.0165488900000000,  0.0071532900000000 ]  - [   0.0068450400000000, -0.0007352800000000,  0.0015827100000000 ]  - [  -0.0016354200000000,  0.0063052400000000,  0.0008023100000000 ]  - [  -0.0053858400000000, -0.0041141900000000,  0.0019200900000000 ]  - [  -0.0418902000000000, -0.0265273000000000, -0.0163629500000000 ]  - [  -0.0087444700000000,  0.0004676800000000,  0.0034257500000000 ]  - [   0.0013091700000000, -0.0067135400000000,  0.0027605800000000 ]  - [   0.0009851000000000, -0.0026507800000000, -0.0014324400000000 ]  - [   0.0019503200000000,  0.0015827200000000, -0.0011452400000000 ]  - [  -0.0029498000000000,  0.0006009300000000, -0.0012175900000000 ]  - [  -0.0299688800000000,  0.0223253100000000, -0.0254481600000000 ]  - [   0.0000421700000000,  0.0070457500000000,  0.0051333200000000 ]  - [  -0.0008582000000000, -0.0001686500000000, -0.0012636300000000 ]  - [   0.0002796300000000,  0.0008223500000000, -0.0012534300000000 ]  - [   0.0005711300000000, -0.0006546900000000, -0.0012550700000000 ]  - [  -0.0003761400000000,  0.0002562400000000, -0.0010472100000000 ]  - [   0.0004191000000000,  0.0001927200000000, -0.0010260800000000 ]  - [  -0.0000327400000000, -0.0004548700000000, -0.0010566000000000 ]  - [   0.0003752600000000,  0.0002277700000000, -0.0010478100000000 ]  - [   0.0000093100000000, -0.0004345000000000, -0.0010473400000000 ]  - [  -0.0003826500000000,  0.0002087400000000, -0.0010460600000000 ]  - [   0.0008484700000000, -0.0001528100000000, -0.0012283700000000 ]  - [  -0.0006562300000000,  0.0003133100000000, -0.0003458300000000 ]  - [   0.0000673300000000, -0.0006941900000000, -0.0003307100000000 ]  - [   0.0005727200000000,  0.0003946700000000, -0.0003450100000000 ]  - [  -0.0007272200000000, -0.0002663100000000, -0.0010939100000000 ]  - [   0.0005972800000000, -0.0005096500000000, -0.0010940800000000 ]  - [   0.0001419900000000,  0.0007695200000000, -0.0010935300000000 ]  - [  -0.0006774400000000, -0.0006661200000000, -0.0011725000000000 ]  - [   0.0009605900000000, -0.0002207600000000, -0.0011986600000000 ]  - [  -0.0002756000000000,  0.0008990400000000, -0.0011662700000000 ]  - [  -0.0000106500000000, -0.0006252900000000, -0.0003667800000000 ]  - [   0.0005479000000000,  0.0003040100000000, -0.0003649400000000 ]  - [  -0.0005347000000000,  0.0003235300000000, -0.0003634300000000 ]  - [  -0.0003277300000000,  0.0008006900000000, -0.0012598800000000 ]  - [  -0.0005095400000000, -0.0006893600000000, -0.0011907900000000 ]  - [  -0.0007331200000000,  0.0000272800000000, -0.0013589200000000 ]  - [   0.0005954500000000,  0.0006079900000000, -0.0009914100000000 ]  - [   0.0005024200000000, -0.0009445400000000, -0.0018565200000000 ]  - [  -0.0002462800000000,  0.0002227500000000, -0.0009520300000000 ]  - [   0.0003112200000000,  0.0001370600000000, -0.0009459000000000 ]  - [  -0.0000799600000000, -0.0003560400000000, -0.0009470100000000 ]  - [   0.0016297200000000, -0.0001720000000000, -0.0015711100000000 ]  - [   0.0000048000000000, -0.0015494200000000, -0.0009341500000000 ]  - [  -0.0018453000000000,  0.0000708600000000, -0.0025624100000000 ]  - [   0.0008865500000000, -0.0001576100000000, -0.0012621900000000 ]  - [  -0.0006557300000000,  0.0002755300000000, -0.0003865400000000 ]  - [   0.0000527000000000, -0.0007048800000000, -0.0003659400000000 ]  - [   0.0006081800000000,  0.0003989700000000, -0.0003969600000000 ]  - [  -0.0023651500000000, -0.0001637300000000, -0.0011975700000000 ]  - [   0.0011021900000000, -0.0010413900000000, -0.0007618200000000 ]  - [   0.0006326800000000,  0.0013230200000000, -0.0007829900000000 ]  - [  -0.0005725600000000, -0.0004879700000000, -0.0010766700000000 ]  - [   0.0006963100000000, -0.0002406400000000, -0.0010821800000000 ]  - [  -0.0001362500000000,  0.0007455700000000, -0.0010952600000000 ]  - [  -0.0015207900000000, -0.0012152700000000, -0.0016624600000000 ]  - [   0.0019678100000000,  0.0011838600000000, -0.0010827300000000 ]  - [  -0.0012457700000000,  0.0016298100000000, -0.0005858500000000 ]  - [  -0.0003000700000000,  0.0008337700000000, -0.0012452100000000 ]  - [  -0.0005740200000000, -0.0006749000000000, -0.0012494600000000 ]  - [  -0.3603488900000000,  0.0275560400000000, -0.0484546500000000 ]  - [   0.0098832000000000, -0.0196761700000000, -0.0079456800000000 ]  - [   0.0140619700000000,  0.0171856500000000, -0.0075933400000000 ]  - [  -0.0106251000000000,  0.0059910100000000,  0.0092232400000000 ]  - [   0.0094915900000000,  0.0055484500000000,  0.0065158600000000 ]  - [  -0.0018771700000000, -0.0090411700000000,  0.0080909600000000 ]  - [   0.0005978700000000,  0.0005874900000000,  0.0021831900000000 ]  - [  -0.0009190200000000,  0.0001563900000000,  0.0020946400000000 ]  - [   0.0002638800000000, -0.0007914900000000,  0.0021503400000000 ]  - [   0.0005952200000000,  0.0001582700000000,  0.0021989100000000 ]  - [  -0.0001681600000000, -0.0005974500000000,  0.0022049000000000 ]  - [  -0.0004370500000000,  0.0004489900000000,  0.0021996500000000 ]  - [   0.0005454500000000,  0.0003716400000000,  0.0021215200000000 ]  - [  -0.0005525500000000,  0.0002432300000000,  0.0021170100000000 ]  - [   0.0000058300000000, -0.0006465900000000,  0.0021632700000000 ]  - [   0.0034036000000000,  0.0007804500000000,  0.0040981600000000 ]  - [  -0.0014070200000000, -0.0016569100000000,  0.0018824900000000 ]  - [  -0.0029852700000000,  0.0006508300000000,  0.0013544900000000 ]  - [  -0.0150383200000000,  0.0015381200000000, -0.0126503400000000 ]  - [   0.0049720100000000, -0.0172286200000000, -0.0168798900000000 ]  - [   0.0053675700000000,  0.0181471600000000,  0.0068420800000000 ]  - [  -0.0000058700000000,  0.0004449700000000,  0.0019709800000000 ]  - [   0.0000080700000000, -0.0000164500000000,  0.0023846400000000 ]  - [  -0.0000075400000000,  0.0000165000000000,  0.0022777700000000 ]  - [   0.0003115800000000, -0.0000044400000000,  0.0029395800000000 ]  - [  -0.0000090100000000, -0.0000063900000000,  0.0024246800000000 ]  - [  -0.0000502300000000,  0.0003671400000000,  0.0025948400000000 ]  - [   0.0002555100000000, -0.0000393600000000,  0.0014884700000000 ]  - [   0.0000040500000000, -0.0000262100000000,  0.0022907700000000 ]  - [   0.0083371000000000, -0.0132265000000000,  0.0063604500000000 ]- atom:   11  displacement:    [  -0.0049999999899176,  0.0086602540436655,  0.0000000000000000 ]  forces:  - [  -0.0088103700000000, -0.0008910800000000, -0.0077348300000000 ]  - [   0.0018021000000000,  0.0076709700000000, -0.0101664100000000 ]  - [   0.0036017400000000, -0.0040410100000000, -0.0030608100000000 ]  - [  -0.0036263500000000,  0.0004876200000000, -0.0005499600000000 ]  - [   0.0001626700000000,  0.0047267400000000, -0.0009422900000000 ]  - [  -0.0400494600000000,  0.0089708400000000,  0.0184377200000000 ]  - [  -0.0009478800000000, -0.0004696000000000, -0.0007758100000000 ]  - [  -0.0000808300000000,  0.0003133100000000, -0.0027658800000000 ]  - [   0.0005820900000000, -0.0007239100000000, -0.0002683800000000 ]  - [  -0.0049838400000000,  0.0000010600000000,  0.0036333700000000 ]  - [   0.2874413500000000, -0.0816969200000000,  0.0533913600000000 ]  - [  -0.0094863100000000,  0.0135297300000000,  0.0039365900000000 ]  - [  -0.0069803100000000, -0.0087630200000000,  0.0043634300000000 ]  - [   0.0038053000000000, -0.0002247300000000,  0.0012912200000000 ]  - [  -0.0012365800000000,  0.0052137700000000,  0.0004113400000000 ]  - [  -0.0038988800000000, -0.0027990300000000,  0.0015298300000000 ]  - [   0.0101201000000000, -0.0082588200000000,  0.0008197500000000 ]  - [  -0.0036403400000000,  0.0017099700000000,  0.0014905300000000 ]  - [  -0.0002324800000000, -0.0012940400000000,  0.0007907700000000 ]  - [   0.0009051000000000, -0.0005302800000000, -0.0001234500000000 ]  - [   0.0017093500000000,  0.0014024200000000, -0.0011238100000000 ]  - [  -0.0017931800000000,  0.0000527700000000, -0.0006175600000000 ]  - [  -0.0386396400000000,  0.0125691500000000, -0.0289639200000000 ]  - [   0.0004429200000000,  0.0057144500000000,  0.0038274100000000 ]  - [  -0.0005567800000000, -0.0001807400000000, -0.0007078000000000 ]  - [   0.0001214500000000,  0.0005746900000000, -0.0007104500000000 ]  - [   0.0004352800000000, -0.0003900900000000, -0.0007099900000000 ]  - [  -0.0001141000000000,  0.0002372800000000, -0.0005264100000000 ]  - [   0.0002515300000000, -0.0000333400000000, -0.0005222400000000 ]  - [  -0.0001461600000000, -0.0001984600000000, -0.0005354200000000 ]  - [   0.0001050800000000,  0.0002125400000000, -0.0005219600000000 ]  - [   0.0001301200000000, -0.0001966500000000, -0.0005250200000000 ]  - [  -0.0002350700000000, -0.0000149700000000, -0.0005233600000000 ]  - [   0.0005431600000000, -0.0001351600000000, -0.0006801200000000 ]  - [  -0.0003117200000000,  0.0003111600000000, -0.0000135000000000 ]  - [  -0.0000841400000000, -0.0004415300000000,  0.0000013700000000 ]  - [   0.0003986100000000,  0.0001412000000000, -0.0000170500000000 ]  - [  -0.0004297800000000, -0.0002727600000000, -0.0007599900000000 ]  - [   0.0004520800000000, -0.0002389900000000, -0.0007589800000000 ]  - [  -0.0000156600000000,  0.0005134500000000, -0.0007584400000000 ]  - [  -0.0004690200000000, -0.0003355800000000, -0.0007797400000000 ]  - [   0.0005793300000000, -0.0003164600000000, -0.0008266900000000 ]  - [  -0.0001153500000000,  0.0005813500000000, -0.0008268200000000 ]  - [   0.0001223000000000, -0.0003649400000000, -0.0000280000000000 ]  - [   0.0002483900000000,  0.0002864600000000, -0.0000254500000000 ]  - [  -0.0003722100000000,  0.0000722800000000, -0.0000251100000000 ]  - [  -0.0001164300000000,  0.0006130600000000, -0.0007267700000000 ]  - [  -0.0003795300000000, -0.0004420100000000, -0.0007138100000000 ]  - [  -0.0005551600000000,  0.0001105400000000, -0.0003128900000000 ]  - [   0.0005733100000000,  0.0006863600000000, -0.0007307700000000 ]  - [   0.0003349600000000, -0.0008601200000000, -0.0008061400000000 ]  - [  -0.0000242100000000,  0.0001755700000000, -0.0004766600000000 ]  - [   0.0001904800000000, -0.0000675900000000, -0.0004810800000000 ]  - [  -0.0001814600000000, -0.0001361100000000, -0.0004517100000000 ]  - [  -0.0002051700000000,  0.0004408700000000,  0.0007567200000000 ]  - [   0.0009242200000000,  0.0004210900000000,  0.0004381300000000 ]  - [  -0.0003704200000000, -0.0012318100000000,  0.0004144300000000 ]  - [   0.0005731400000000, -0.0001782300000000, -0.0007117400000000 ]  - [  -0.0003141900000000,  0.0002760100000000, -0.0000324700000000 ]  - [  -0.0000835700000000, -0.0003798300000000, -0.0000164500000000 ]  - [   0.0003965400000000,  0.0000958400000000, -0.0000218500000000 ]  - [  -0.0013248300000000, -0.0006075000000000, -0.0006183100000000 ]  - [   0.0009649000000000, -0.0005050900000000, -0.0006639600000000 ]  - [  -0.0000471100000000,  0.0007637000000000, -0.0002261100000000 ]  - [  -0.0004241300000000, -0.0002216600000000, -0.0007471900000000 ]  - [   0.0004022100000000, -0.0002409600000000, -0.0007531400000000 ]  - [   0.0000218400000000,  0.0004640000000000, -0.0007620500000000 ]  - [  -0.0016016500000000, -0.0020092500000000, -0.0015599100000000 ]  - [   0.0020988600000000,  0.0012237800000000, -0.0009717600000000 ]  - [  -0.0018344900000000,  0.0020813400000000, -0.0004863500000000 ]  - [  -0.0001321300000000,  0.0005794200000000, -0.0006950400000000 ]  - [  -0.0004370100000000, -0.0003997200000000, -0.0007054900000000 ]  - [  -0.2009140700000000,  0.0741998900000000, -0.0270355100000000 ]  - [   0.0047169800000000, -0.0162522900000000, -0.0044716800000000 ]  - [   0.0092181900000000,  0.0063573800000000, -0.0039547300000000 ]  - [  -0.0051399100000000,  0.0018973200000000,  0.0023721700000000 ]  - [   0.0062605600000000,  0.0044879000000000,  0.0039615900000000 ]  - [  -0.0018407800000000, -0.0077965600000000,  0.0075804200000000 ]  - [   0.0002554000000000,  0.0003234700000000,  0.0011556900000000 ]  - [  -0.0005478900000000,  0.0000962900000000,  0.0011561500000000 ]  - [   0.0003078400000000, -0.0004947400000000,  0.0011520400000000 ]  - [   0.0003572400000000,  0.0000152000000000,  0.0011795200000000 ]  - [  -0.0001727000000000, -0.0003210600000000,  0.0011799200000000 ]  - [  -0.0001954800000000,  0.0003157700000000,  0.0011767200000000 ]  - [   0.0002569400000000,  0.0002305800000000,  0.0011170900000000 ]  - [  -0.0003234300000000,  0.0000288000000000,  0.0011489800000000 ]  - [   0.0000921500000000, -0.0002868100000000,  0.0011622300000000 ]  - [   0.0023700100000000,  0.0030092300000000,  0.0011168200000000 ]  - [   0.0006516200000000, -0.0019822200000000, -0.0007011000000000 ]  - [  -0.0030541100000000, -0.0003026500000000,  0.0007576000000000 ]  - [  -0.0093910500000000,  0.0057644200000000, -0.0074931600000000 ]  - [   0.0045143500000000, -0.0140278000000000, -0.0120595600000000 ]  - [   0.0004745600000000,  0.0027355700000000, -0.0013312800000000 ]  - [  -0.0005715700000000, -0.0001772000000000,  0.0011862900000000 ]  - [   0.0000024000000000, -0.0000197600000000,  0.0013097900000000 ]  - [   0.0000007200000000, -0.0000014900000000,  0.0011907900000000 ]  - [   0.0001419500000000,  0.0008239200000000,  0.0016011000000000 ]  - [  -0.0000022000000000,  0.0000052400000000,  0.0013298800000000 ]  - [  -0.0002008400000000,  0.0001063900000000,  0.0013419600000000 ]  - [   0.0001377000000000,  0.0002957200000000,  0.0007230500000000 ]  - [   0.0000046600000000, -0.0000110600000000,  0.0012044000000000 ]  - [   0.0074381400000000, -0.0121522400000000,  0.0069561200000000 ]- atom:   11  displacement:    [   0.0049999999899176, -0.0086602540436655,  0.0000000000000000 ]  forces:  - [   0.0083857800000000,  0.0005014400000000,  0.0075837400000000 ]  - [  -0.0019172400000000, -0.0070978900000000,  0.0100343800000000 ]  - [  -0.0030452300000000,  0.0037942200000000,  0.0028031600000000 ]  - [   0.0041073000000000, -0.0000883400000000,  0.0007679200000000 ]  - [  -0.0000497900000000, -0.0053490600000000,  0.0011628300000000 ]  - [   0.0387692700000000, -0.0087968800000000, -0.0178187100000000 ]  - [   0.0004483800000000,  0.0008528200000000,  0.0009997100000000 ]  - [   0.0006671400000000, -0.0000695300000000,  0.0030059800000000 ]  - [  -0.0006660800000000,  0.0001099300000000,  0.0004636900000000 ]  - [   0.0054848300000000, -0.0003909000000000, -0.0038447500000000 ]  - [  -0.2787292400000000,  0.0827578700000000, -0.0515798600000000 ]  - [   0.0090076700000000, -0.0136990200000000, -0.0032205800000000 ]  - [   0.0073547100000000,  0.0083566700000000, -0.0036586800000000 ]  - [  -0.0039608300000000, -0.0002886700000000, -0.0020334400000000 ]  - [   0.0017658200000000, -0.0051251000000000, -0.0011531500000000 ]  - [   0.0035565800000000,  0.0032142100000000, -0.0022618700000000 ]  - [  -0.0102813300000000,  0.0085618100000000, -0.0014221000000000 ]  - [   0.0038985700000000, -0.0022841800000000, -0.0022602500000000 ]  - [   0.0006224800000000,  0.0017722000000000, -0.0015540800000000 ]  - [  -0.0003776200000000,  0.0004169400000000,  0.0008630900000000 ]  - [  -0.0019032100000000, -0.0008996800000000,  0.0018778600000000 ]  - [   0.0014538500000000, -0.0004664300000000,  0.0013751900000000 ]  - [   0.0380859900000000, -0.0118469900000000,  0.0281006300000000 ]  - [  -0.0010215500000000, -0.0059573400000000, -0.0040471200000000 ]  - [   0.0000580000000000, -0.0002136900000000,  0.0004970300000000 ]  - [  -0.0002145700000000,  0.0000416100000000,  0.0005156000000000 ]  - [   0.0001447800000000,  0.0001613400000000,  0.0005145200000000 ]  - [   0.0006123200000000,  0.0001557000000000,  0.0007367300000000 ]  - [  -0.0001596900000000, -0.0005920000000000,  0.0007307800000000 ]  - [  -0.0004401900000000,  0.0004308700000000,  0.0007394600000000 ]  - [  -0.0005856600000000,  0.0001759200000000,  0.0007526700000000 ]  - [   0.0004497800000000,  0.0004196600000000,  0.0007532800000000 ]  - [   0.0001381800000000, -0.0005993500000000,  0.0007506700000000 ]  - [  -0.0000649500000000, -0.0002525400000000,  0.0004579500000000 ]  - [   0.0004832300000000,  0.0002653500000000,  0.0007616700000000 ]  - [  -0.0005076100000000,  0.0003167100000000,  0.0007472400000000 ]  - [   0.0000046800000000, -0.0005875600000000,  0.0007682500000000 ]  - [   0.0002720500000000, -0.0003063700000000,  0.0000111800000000 ]  - [   0.0001354500000000,  0.0003733200000000,  0.0000108600000000 ]  - [  -0.0003886300000000, -0.0000698100000000,  0.0000116500000000 ]  - [  -0.0001164600000000,  0.0004151300000000,  0.0000401700000000 ]  - [  -0.0003578300000000, -0.0002285100000000,  0.0000852900000000 ]  - [   0.0004777000000000, -0.0001156200000000,  0.0000877500000000 ]  - [   0.0004649800000000,  0.0002943700000000,  0.0007678400000000 ]  - [  -0.0004758300000000,  0.0002586600000000,  0.0007676300000000 ]  - [   0.0000184900000000, -0.0005459200000000,  0.0007714300000000 ]  - [   0.0002137100000000, -0.0000070500000000,  0.0005095800000000 ]  - [  -0.0001955600000000,  0.0002234000000000,  0.0004932600000000 ]  - [   0.0000655900000000, -0.0005007200000000,  0.0000835200000000 ]  - [  -0.0006696900000000, -0.0000777600000000,  0.0005047100000000 ]  - [   0.0002391300000000,  0.0006367000000000,  0.0005893900000000 ]  - [   0.0005223900000000,  0.0002073800000000,  0.0006894700000000 ]  - [  -0.0001073600000000, -0.0005583700000000,  0.0006947800000000 ]  - [  -0.0004037800000000,  0.0003781300000000,  0.0006663500000000 ]  - [  -0.0003117600000000, -0.0000414100000000, -0.0005230300000000 ]  - [  -0.0003267400000000, -0.0001793500000000, -0.0002095800000000 ]  - [   0.0002938600000000,  0.0005854400000000, -0.0001726100000000 ]  - [  -0.0000799300000000, -0.0002043800000000,  0.0005099000000000 ]  - [   0.0004974900000000,  0.0002295200000000,  0.0007744800000000 ]  - [  -0.0004455200000000,  0.0002783800000000,  0.0007611500000000 ]  - [  -0.0000414000000000, -0.0004997800000000,  0.0007663300000000 ]  - [   0.0010963600000000,  0.0000565300000000, -0.0001201700000000 ]  - [  -0.0003831500000000,  0.0005890900000000, -0.0000743700000000 ]  - [  -0.0003054900000000, -0.0002793300000000, -0.0005092400000000 ]  - [  -0.0001011500000000,  0.0003311400000000,  0.0000027200000000 ]  - [  -0.0002280800000000, -0.0002678400000000,  0.0000097100000000 ]  - [   0.0003335400000000, -0.0000633500000000,  0.0000225700000000 ]  - [   0.0021822400000000,  0.0018624100000000,  0.0022986800000000 ]  - [  -0.0022645500000000, -0.0006510200000000,  0.0017148300000000 ]  - [   0.0014094600000000, -0.0025078200000000,  0.0012323000000000 ]  - [   0.0002151400000000,  0.0000424300000000,  0.0004828700000000 ]  - [  -0.0001422000000000,  0.0001630100000000,  0.0005003600000000 ]  - [   0.1924988800000000, -0.0745820100000000,  0.0256796000000000 ]  - [  -0.0049528400000000,  0.0160366400000000,  0.0045069500000000 ]  - [  -0.0089015700000000, -0.0064212000000000,  0.0039852600000000 ]  - [   0.0052669700000000, -0.0021527900000000, -0.0023350500000000 ]  - [  -0.0065934800000000, -0.0044873900000000, -0.0040008600000000 ]  - [   0.0020206500000000,  0.0080991600000000, -0.0076183800000000 ]  - [  -0.0004156900000000, -0.0000491200000000, -0.0011631800000000 ]  - [   0.0004024000000000, -0.0003883100000000, -0.0011671600000000 ]  - [   0.0000162200000000,  0.0005040700000000, -0.0011586100000000 ]  - [  -0.0002109300000000, -0.0002944900000000, -0.0011931400000000 ]  - [  -0.0001489600000000,  0.0003253500000000, -0.0011823900000000 ]  - [   0.0003490700000000, -0.0000296700000000, -0.0011905800000000 ]  - [  -0.0004222100000000,  0.0000355200000000, -0.0011245300000000 ]  - [   0.0001682900000000, -0.0003012300000000, -0.0011569000000000 ]  - [   0.0002214100000000,  0.0002832200000000, -0.0011702200000000 ]  - [  -0.0022041800000000, -0.0032583200000000, -0.0011462400000000 ]  - [  -0.0009450300000000,  0.0019608700000000,  0.0006858800000000 ]  - [   0.0032062400000000,  0.0005642700000000, -0.0007816300000000 ]  - [   0.0099299900000000, -0.0056395300000000,  0.0080469700000000 ]  - [  -0.0045237500000000,  0.0140032200000000,  0.0119046700000000 ]  - [  -0.0005149400000000, -0.0028616900000000,  0.0010948100000000 ]  - [   0.0005807500000000,  0.0001868400000000, -0.0010241400000000 ]  - [  -0.0000071400000000,  0.0000210900000000, -0.0011497300000000 ]  - [   0.0000019800000000, -0.0000011800000000, -0.0013522200000000 ]  - [  -0.0001392100000000, -0.0008313900000000, -0.0017495700000000 ]  - [   0.0000072200000000, -0.0000033700000000, -0.0011946600000000 ]  - [   0.0002094800000000, -0.0001032000000000, -0.0011870000000000 ]  - [  -0.0001400500000000, -0.0002899100000000, -0.0008661200000000 ]  - [  -0.0000039800000000,  0.0000185300000000, -0.0013715200000000 ]  - [  -0.0074226100000000,  0.0121353100000000, -0.0067815500000000 ]- atom:   11  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0043667200000000, -0.0001548400000000,  0.0037825100000000 ]  - [  -0.0002370800000000, -0.0062234800000000,  0.0071955600000000 ]  - [   0.0009421800000000,  0.0057695000000000,  0.0084517900000000 ]  - [  -0.0018689300000000,  0.0010989300000000, -0.0036999900000000 ]  - [   0.0013895200000000,  0.0008167800000000, -0.0036677800000000 ]  - [  -0.0248991600000000,  0.0084312800000000, -0.0069939200000000 ]  - [  -0.0002483900000000,  0.0002814200000000,  0.0010833000000000 ]  - [   0.0005475000000000,  0.0002767200000000,  0.0023690000000000 ]  - [  -0.0002154400000000, -0.0007819600000000,  0.0022475400000000 ]  - [   0.0049905700000000, -0.0003947200000000, -0.0051419100000000 ]  - [  -0.0885836200000000,  0.0100114200000000, -0.0996465100000000 ]  - [   0.0025293300000000, -0.0063237900000000, -0.0044785200000000 ]  - [   0.0037766100000000,  0.0050469300000000, -0.0044793000000000 ]  - [  -0.0020716700000000,  0.0005400500000000, -0.0002047000000000 ]  - [   0.0006675000000000, -0.0023984800000000, -0.0004708300000000 ]  - [   0.0006246300000000,  0.0011260800000000, -0.0004743400000000 ]  - [   0.0167586400000000,  0.0085869100000000, -0.0093654500000000 ]  - [   0.0039378600000000, -0.0003200300000000, -0.0029719600000000 ]  - [  -0.0009734500000000,  0.0031905800000000, -0.0031399600000000 ]  - [   0.0003676400000000,  0.0022531800000000,  0.0017184000000000 ]  - [  -0.0015607900000000, -0.0004598100000000,  0.0015060100000000 ]  - [   0.0006909100000000, -0.0008174300000000,  0.0010905400000000 ]  - [   0.0420185300000000, -0.0226541900000000,  0.0157532800000000 ]  - [  -0.0012055800000000, -0.0042474100000000, -0.0046769200000000 ]  - [   0.0004256800000000, -0.0002298900000000,  0.0011791600000000 ]  - [  -0.0004115200000000, -0.0002503400000000,  0.0011733800000000 ]  - [  -0.0000135300000000,  0.0004829000000000,  0.0011775600000000 ]  - [   0.0009450800000000,  0.0001526600000000,  0.0013944500000000 ]  - [  -0.0003520900000000, -0.0008989600000000,  0.0013992300000000 ]  - [  -0.0006004100000000,  0.0007369700000000,  0.0013916500000000 ]  - [  -0.0009308500000000,  0.0001633900000000,  0.0014228700000000 ]  - [   0.0006065500000000,  0.0007229200000000,  0.0014156900000000 ]  - [   0.0003243000000000, -0.0008874700000000,  0.0014180400000000 ]  - [  -0.0004120700000000, -0.0002178500000000,  0.0011060000000000 ]  - [   0.0008448800000000,  0.0002620800000000,  0.0011710100000000 ]  - [  -0.0006735000000000,  0.0006102900000000,  0.0011804900000000 ]  - [  -0.0001880200000000, -0.0008552900000000,  0.0011755100000000 ]  - [   0.0006261400000000, -0.0003168200000000,  0.0004319100000000 ]  - [  -0.0000389500000000,  0.0007014500000000,  0.0004330200000000 ]  - [  -0.0005836200000000, -0.0003807000000000,  0.0004337100000000 ]  - [   0.0001041700000000,  0.0007476600000000,  0.0004679600000000 ]  - [  -0.0007136100000000, -0.0003209900000000,  0.0005063200000000 ]  - [   0.0006390100000000, -0.0004223300000000,  0.0004591400000000 ]  - [   0.0006324900000000,  0.0006157500000000,  0.0011863400000000 ]  - [  -0.0008548500000000,  0.0002409100000000,  0.0011865400000000 ]  - [   0.0002222000000000, -0.0008630700000000,  0.0011894700000000 ]  - [   0.0004219800000000, -0.0002262500000000,  0.0011231600000000 ]  - [  -0.0000465100000000,  0.0004709100000000,  0.0011051400000000 ]  - [   0.0005696200000000, -0.0002434500000000,  0.0011663500000000 ]  - [  -0.0006235700000000, -0.0004482500000000,  0.0009912400000000 ]  - [   0.0000916700000000,  0.0006176200000000,  0.0009198500000000 ]  - [   0.0009364700000000,  0.0001720300000000,  0.0014457400000000 ]  - [  -0.0003428000000000, -0.0008925100000000,  0.0014044100000000 ]  - [  -0.0006269600000000,  0.0007347800000000,  0.0013956800000000 ]  - [  -0.0002394300000000,  0.0007724200000000,  0.0006706300000000 ]  - [  -0.0000223000000000, -0.0001722300000000,  0.0001026500000000 ]  - [   0.0003888800000000,  0.0001355600000000,  0.0003278100000000 ]  - [  -0.0004313500000000, -0.0002197600000000,  0.0011988400000000 ]  - [   0.0008143500000000,  0.0002234800000000,  0.0011672100000000 ]  - [  -0.0006006100000000,  0.0006040500000000,  0.0011728200000000 ]  - [  -0.0002045600000000, -0.0008142100000000,  0.0011787900000000 ]  - [   0.0007136200000000, -0.0000854500000000,  0.0001553800000000 ]  - [  -0.0002626000000000,  0.0001912400000000,  0.0004552700000000 ]  - [  -0.0004733800000000, -0.0000428900000000,  0.0004575900000000 ]  - [   0.0000586600000000,  0.0006651300000000,  0.0004291500000000 ]  - [  -0.0006162800000000, -0.0002853200000000,  0.0004329700000000 ]  - [   0.0005715900000000, -0.0004086700000000,  0.0004507400000000 ]  - [   0.0016139900000000,  0.0012663300000000,  0.0017163700000000 ]  - [  -0.0016171400000000, -0.0005700300000000,  0.0015041500000000 ]  - [   0.0007954200000000, -0.0015113300000000,  0.0010914500000000 ]  - [   0.0004039400000000, -0.0002482600000000,  0.0011621900000000 ]  - [   0.0000148600000000,  0.0004777700000000,  0.0011688400000000 ]  - [   0.0274838600000000, -0.0006212500000000,  0.0776454400000000 ]  - [  -0.0037624300000000,  0.0053239500000000,  0.0090746200000000 ]  - [  -0.0022233200000000, -0.0048936900000000,  0.0098272800000000 ]  - [   0.0041081400000000, -0.0043269400000000, -0.0066105100000000 ]  - [  -0.0023949600000000, -0.0006697100000000, -0.0025226900000000 ]  - [   0.0020950100000000,  0.0049532500000000, -0.0054150500000000 ]  - [  -0.0007283800000000, -0.0002743800000000, -0.0024139700000000 ]  - [   0.0007052200000000, -0.0004482600000000, -0.0024257800000000 ]  - [   0.0000823800000000,  0.0007410300000000, -0.0023846100000000 ]  - [  -0.0005062400000000, -0.0004725800000000, -0.0024560200000000 ]  - [  -0.0001595200000000,  0.0006709100000000, -0.0024532100000000 ]  - [   0.0006540500000000, -0.0001928500000000, -0.0024549000000000 ]  - [  -0.0006402400000000, -0.0001885800000000, -0.0024292500000000 ]  - [   0.0004861500000000, -0.0004561600000000, -0.0024430800000000 ]  - [   0.0001178300000000,  0.0006371600000000, -0.0025170700000000 ]  - [  -0.0013867800000000, -0.0020942200000000, -0.0016627900000000 ]  - [  -0.0003677800000000,  0.0000648600000000, -0.0018567800000000 ]  - [   0.0022026200000000,  0.0014213500000000, -0.0016559300000000 ]  - [   0.0197551000000000, -0.0021494000000000,  0.0239277600000000 ]  - [   0.0009164800000000, -0.0027235500000000,  0.0032710700000000 ]  - [  -0.0024307800000000, -0.0058622700000000,  0.0003118700000000 ]  - [   0.0001543800000000, -0.0003394500000000, -0.0021509600000000 ]  - [   0.0000081400000000, -0.0000025200000000, -0.0025357500000000 ]  - [   0.0000057500000000,  0.0000033800000000, -0.0027070600000000 ]  - [  -0.0004594900000000, -0.0000049600000000, -0.0030168600000000 ]  - [   0.0000116500000000, -0.0000006900000000, -0.0025689900000000 ]  - [  -0.0000669900000000, -0.0000033200000000, -0.0024729600000000 ]  - [   0.0003506400000000, -0.0000674800000000, -0.0027845600000000 ]  - [  -0.0000071000000000,  0.0000113200000000, -0.0027169400000000 ]  - [  -0.0066324800000000,  0.0093554400000000, -0.0044820400000000 ]- atom:   11  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0047730200000000, -0.0002311600000000, -0.0039308000000000 ]  - [   0.0001474500000000,  0.0067242400000000, -0.0072680500000000 ]  - [  -0.0003536000000000, -0.0058762300000000, -0.0084815400000000 ]  - [   0.0023624300000000, -0.0007092900000000,  0.0039268600000000 ]  - [  -0.0012813300000000, -0.0014509800000000,  0.0038995200000000 ]  - [   0.0242865000000000, -0.0082080100000000,  0.0071208300000000 ]  - [  -0.0002248500000000,  0.0001057700000000, -0.0008803500000000 ]  - [   0.0000295600000000, -0.0000498100000000, -0.0021468700000000 ]  - [   0.0001163700000000,  0.0001635400000000, -0.0020207500000000 ]  - [  -0.0044897200000000,  0.0000053700000000,  0.0049332400000000 ]  - [   0.0873001900000000, -0.0096221400000000,  0.0995820300000000 ]  - [  -0.0030767500000000,  0.0061719900000000,  0.0051819100000000 ]  - [  -0.0033797200000000, -0.0054511300000000,  0.0051814400000000 ]  - [   0.0018520400000000, -0.0010439700000000, -0.0005497300000000 ]  - [  -0.0001276600000000,  0.0024488100000000, -0.0002757400000000 ]  - [  -0.0009474000000000, -0.0006993100000000, -0.0002800500000000 ]  - [  -0.0172151000000000, -0.0084227700000000,  0.0088199600000000 ]  - [  -0.0037014600000000, -0.0002519800000000,  0.0022121700000000 ]  - [   0.0013804000000000, -0.0027247500000000,  0.0023845200000000 ]  - [   0.0001454400000000, -0.0023415100000000, -0.0009643100000000 ]  - [   0.0013709700000000,  0.0009599400000000, -0.0007556600000000 ]  - [  -0.0010345300000000,  0.0004210700000000, -0.0003450100000000 ]  - [  -0.0424288800000000,  0.0236395800000000, -0.0161255300000000 ]  - [   0.0006310700000000,  0.0040025400000000,  0.0044666900000000 ]  - [  -0.0009062600000000, -0.0001623100000000, -0.0013700900000000 ]  - [   0.0003153700000000,  0.0008719400000000, -0.0013776900000000 ]  - [   0.0005953600000000, -0.0007061700000000, -0.0013744200000000 ]  - [  -0.0004510300000000,  0.0002436600000000, -0.0011812600000000 ]  - [   0.0004480000000000,  0.0002816000000000, -0.0011948200000000 ]  - [   0.0000173200000000, -0.0005101600000000, -0.0011893900000000 ]  - [   0.0004552600000000,  0.0002288900000000, -0.0011891700000000 ]  - [  -0.0000309900000000, -0.0005066500000000, -0.0011913100000000 ]  - [  -0.0004236900000000,  0.0002781000000000, -0.0011887500000000 ]  - [   0.0008755900000000, -0.0001685000000000, -0.0013154000000000 ]  - [  -0.0006861300000000,  0.0003156100000000, -0.0004232200000000 ]  - [   0.0000885500000000, -0.0007479400000000, -0.0004335100000000 ]  - [   0.0005978100000000,  0.0004201200000000, -0.0004267900000000 ]  - [  -0.0008011000000000, -0.0002584600000000, -0.0011771700000000 ]  - [   0.0006237800000000, -0.0005619000000000, -0.0011751800000000 ]  - [   0.0001794100000000,  0.0008243700000000, -0.0011740800000000 ]  - [  -0.0006794400000000, -0.0006491300000000, -0.0012019400000000 ]  - [   0.0009316400000000, -0.0002233600000000, -0.0012423200000000 ]  - [  -0.0002715900000000,  0.0008810100000000, -0.0011935100000000 ]  - [  -0.0000567600000000, -0.0007116000000000, -0.0004472400000000 ]  - [   0.0006344800000000,  0.0003056300000000, -0.0004443700000000 ]  - [  -0.0005820900000000,  0.0004000800000000, -0.0004449500000000 ]  - [  -0.0003196300000000,  0.0008336700000000, -0.0013452600000000 ]  - [  -0.0005305100000000, -0.0006832900000000, -0.0013297800000000 ]  - [  -0.0010468500000000, -0.0001475800000000, -0.0013902500000000 ]  - [   0.0005185100000000,  0.0010489400000000, -0.0012073600000000 ]  - [   0.0004850600000000, -0.0008317100000000, -0.0011409800000000 ]  - [  -0.0004465200000000,  0.0002125000000000, -0.0012388400000000 ]  - [   0.0004316300000000,  0.0002761000000000, -0.0011991400000000 ]  - [   0.0000488200000000, -0.0005012200000000, -0.0011896100000000 ]  - [  -0.0002707500000000, -0.0003717600000000, -0.0004380700000000 ]  - [   0.0006062600000000,  0.0004026200000000,  0.0001041200000000 ]  - [  -0.0004717500000000, -0.0007682300000000, -0.0000927700000000 ]  - [   0.0009151600000000, -0.0001630400000000, -0.0013938200000000 ]  - [  -0.0006547500000000,  0.0002862300000000, -0.0004285200000000 ]  - [   0.0000708100000000, -0.0007010600000000, -0.0004303400000000 ]  - [   0.0005510300000000,  0.0004005800000000, -0.0004354700000000 ]  - [  -0.0009187000000000, -0.0004628200000000, -0.0008885500000000 ]  - [   0.0008479000000000, -0.0001176500000000, -0.0011941000000000 ]  - [   0.0001068800000000,  0.0005032400000000, -0.0011908300000000 ]  - [  -0.0005899400000000, -0.0005690300000000, -0.0011680000000000 ]  - [   0.0007898500000000, -0.0002220200000000, -0.0011699700000000 ]  - [  -0.0002061300000000,  0.0007958800000000, -0.0011835500000000 ]  - [  -0.0010243200000000, -0.0014059000000000, -0.0009649600000000 ]  - [   0.0014393500000000,  0.0011403400000000, -0.0007561000000000 ]  - [  -0.0012059600000000,  0.0010692200000000, -0.0003420800000000 ]  - [  -0.0003143700000000,  0.0008648300000000, -0.0013677300000000 ]  - [  -0.0005919500000000, -0.0007055300000000, -0.0013690800000000 ]  - [  -0.0265861000000000,  0.0007593300000000, -0.0771527500000000 ]  - [   0.0035284800000000, -0.0055134000000000, -0.0090454500000000 ]  - [   0.0024968000000000,  0.0048273600000000, -0.0098072200000000 ]  - [  -0.0038533300000000,  0.0039973100000000,  0.0065380600000000 ]  - [   0.0020168400000000,  0.0006368300000000,  0.0024977400000000 ]  - [  -0.0019074100000000, -0.0046064100000000,  0.0053530800000000 ]  - [   0.0005640200000000,  0.0005520500000000,  0.0024011800000000 ]  - [  -0.0008506700000000,  0.0001540600000000,  0.0024115100000000 ]  - [   0.0002470900000000, -0.0007306600000000,  0.0023718600000000 ]  - [   0.0006569200000000,  0.0001904200000000,  0.0024385200000000 ]  - [  -0.0001671800000000, -0.0006649700000000,  0.0024443500000000 ]  - [  -0.0004968900000000,  0.0004838000000000,  0.0024372000000000 ]  - [   0.0004728200000000,  0.0004617200000000,  0.0024162900000000 ]  - [  -0.0006428900000000,  0.0001780800000000,  0.0024284400000000 ]  - [   0.0002016400000000, -0.0006356700000000,  0.0025007700000000 ]  - [   0.0015411800000000,  0.0018166100000000,  0.0016300700000000 ]  - [   0.0000619300000000, -0.0000663400000000,  0.0018453300000000 ]  - [  -0.0020279400000000, -0.0011530500000000,  0.0016394600000000 ]  - [  -0.0190041100000000,  0.0020446400000000, -0.0235875200000000 ]  - [  -0.0009497000000000,  0.0028353400000000, -0.0033147000000000 ]  - [   0.0024024900000000,  0.0057551400000000, -0.0005253100000000 ]  - [  -0.0001503300000000,  0.0003319800000000,  0.0023037100000000 ]  - [  -0.0000103400000000,  0.0000043400000000,  0.0026807700000000 ]  - [  -0.0000042600000000, -0.0000025900000000,  0.0025343800000000 ]  - [   0.0004544500000000,  0.0000056100000000,  0.0028651800000000 ]  - [  -0.0000092700000000,  0.0000006000000000,  0.0026887400000000 ]  - [   0.0000694400000000,  0.0000030400000000,  0.0026208700000000 ]  - [  -0.0003535800000000,  0.0000695000000000,  0.0026405600000000 ]  - [   0.0000057600000000, -0.0000091000000000,  0.0025400000000000 ]  - [   0.0066131500000000, -0.0093134900000000,  0.0046277500000000 ]- atom:   73  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0116410500000000, -0.0006757000000000, -0.0084882800000000 ]  - [   0.0026890800000000,  0.0120232200000000, -0.0141678100000000 ]  - [   0.0039848200000000, -0.0106647900000000, -0.0160343500000000 ]  - [  -0.0073058700000000, -0.0005275200000000, -0.0015587800000000 ]  - [   0.0008285500000000,  0.0081620400000000, -0.0020442400000000 ]  - [   0.1205406000000000, -0.0444549200000000, -0.0942112200000000 ]  - [  -0.0023104600000000, -0.0005487900000000,  0.0000190200000000 ]  - [  -0.0002003200000000,  0.0009884400000000, -0.0039567900000000 ]  - [   0.0016082600000000, -0.0004184300000000, -0.0033643700000000 ]  - [  -0.0064075300000000, -0.0003181100000000,  0.0039024400000000 ]  - [   0.3608544000000000, -0.0285152500000000,  0.0298332200000000 ]  - [  -0.0121212100000000,  0.0183902900000000,  0.0057252600000000 ]  - [  -0.0162061100000000, -0.0161244600000000,  0.0068507700000000 ]  - [   0.0106413300000000, -0.0000815700000000,  0.0036228600000000 ]  - [  -0.0022923200000000,  0.0097348900000000,  0.0013099600000000 ]  - [  -0.0061002100000000, -0.0044301700000000,  0.0027722000000000 ]  - [   0.1165700500000000,  0.1050282800000000,  0.0123411400000000 ]  - [  -0.0098729600000000, -0.0000980200000000,  0.0032732500000000 ]  - [   0.0012327200000000, -0.0084372300000000,  0.0026630600000000 ]  - [   0.0016587400000000, -0.0037060600000000, -0.0020592800000000 ]  - [   0.0029806800000000,  0.0020992800000000, -0.0017483900000000 ]  - [  -0.0022821500000000, -0.0004997400000000,  0.0002045300000000 ]  - [   0.0741897300000000, -0.0243963800000000,  0.0372296100000000 ]  - [  -0.0007680600000000,  0.0064210200000000,  0.0033973200000000 ]  - [  -0.0007111500000000, -0.0001738600000000, -0.0010048400000000 ]  - [   0.0002062400000000,  0.0007148400000000, -0.0010155600000000 ]  - [   0.0005101300000000, -0.0005318000000000, -0.0010142000000000 ]  - [  -0.0002743500000000,  0.0002628300000000, -0.0008083500000000 ]  - [   0.0003833500000000,  0.0001001000000000, -0.0007780100000000 ]  - [  -0.0000883700000000, -0.0003518200000000, -0.0008402800000000 ]  - [   0.0002548500000000,  0.0002218300000000, -0.0008075900000000 ]  - [   0.0000622000000000, -0.0003283300000000, -0.0008127000000000 ]  - [  -0.0003182000000000,  0.0001109400000000, -0.0008113800000000 ]  - [   0.0006908900000000, -0.0002106600000000, -0.0009067000000000 ]  - [  -0.0005532600000000,  0.0003205000000000, -0.0001860700000000 ]  - [   0.0000604200000000, -0.0006060900000000, -0.0001620600000000 ]  - [   0.0004778900000000,  0.0002860600000000, -0.0001879900000000 ]  - [  -0.0006069100000000, -0.0002666700000000, -0.0009484400000000 ]  - [   0.0005305600000000, -0.0003891100000000, -0.0009456000000000 ]  - [   0.0000775800000000,  0.0006591200000000, -0.0009456600000000 ]  - [  -0.0006917800000000, -0.0005576800000000, -0.0010421300000000 ]  - [   0.0009523900000000, -0.0002178000000000, -0.0011400400000000 ]  - [  -0.0003161100000000,  0.0007910800000000, -0.0010399100000000 ]  - [   0.0000422800000000, -0.0005162800000000, -0.0002130400000000 ]  - [   0.0004080000000000,  0.0002951200000000, -0.0002093300000000 ]  - [  -0.0004621400000000,  0.0002122100000000, -0.0002092100000000 ]  - [  -0.0002448400000000,  0.0006782100000000, -0.0010298900000000 ]  - [  -0.0003226000000000, -0.0005835200000000, -0.0008784400000000 ]  - [   0.0000643700000000, -0.0000260400000000, -0.0010534700000000 ]  - [   0.0005774400000000,  0.0000811600000000, -0.0007033600000000 ]  - [   0.0006939100000000, -0.0007914200000000, -0.0027431100000000 ]  - [  -0.0000612400000000,  0.0002246900000000, -0.0006002400000000 ]  - [   0.0001826800000000,  0.0000135700000000, -0.0006555800000000 ]  - [  -0.0002250400000000, -0.0002110100000000, -0.0006561200000000 ]  - [   0.0043162300000000, -0.0000626200000000, -0.0036037600000000 ]  - [  -0.0005556200000000, -0.0034994000000000, -0.0018374100000000 ]  - [  -0.0032099800000000,  0.0012053400000000, -0.0060833500000000 ]  - [   0.0007626000000000, -0.0001474100000000, -0.0009824900000000 ]  - [  -0.0006110200000000,  0.0002536400000000, -0.0002802000000000 ]  - [   0.0000160700000000, -0.0006340100000000, -0.0002287400000000 ]  - [   0.0006243700000000,  0.0003309800000000, -0.0002809500000000 ]  - [  -0.0034199200000000,  0.0004457900000000, -0.0018266500000000 ]  - [   0.0010328000000000, -0.0019039100000000, -0.0003149200000000 ]  - [   0.0009992600000000,  0.0018232500000000, -0.0003029400000000 ]  - [  -0.0005338600000000, -0.0003883000000000, -0.0009212000000000 ]  - [   0.0005608000000000, -0.0002486400000000, -0.0009272500000000 ]  - [  -0.0000274500000000,  0.0006233900000000, -0.0009323100000000 ]  - [  -0.0005092800000000,  0.0004380100000000, -0.0012477700000000 ]  - [   0.0018728900000000,  0.0013932400000000, -0.0016391100000000 ]  - [   0.0004610700000000,  0.0002063100000000, -0.0001714900000000 ]  - [  -0.0002417800000000,  0.0007267400000000, -0.0009926700000000 ]  - [  -0.0005106200000000, -0.0005630700000000, -0.0010005700000000 ]  - [  -0.7405499000000000,  0.0034441400000000, -0.0151291300000000 ]  - [   0.0117537600000000, -0.0205322900000000, -0.0042676300000000 ]  - [   0.0180494600000000,  0.0169208100000000, -0.0060325500000000 ]  - [  -0.0163767600000000,  0.0091871500000000,  0.0132460000000000 ]  - [   0.0106106500000000,  0.0057628400000000,  0.0025713900000000 ]  - [  -0.0030700600000000, -0.0136830900000000,  0.0124340200000000 ]  - [   0.0005663000000000,  0.0004846900000000,  0.0017582500000000 ]  - [  -0.0010822100000000,  0.0000636900000000,  0.0015947000000000 ]  - [   0.0003914100000000, -0.0007038300000000,  0.0016165700000000 ]  - [   0.0004889500000000,  0.0000862200000000,  0.0017408100000000 ]  - [  -0.0001771300000000, -0.0004678100000000,  0.0017457200000000 ]  - [  -0.0003223800000000,  0.0003943100000000,  0.0017363600000000 ]  - [   0.0005649600000000,  0.0002970400000000,  0.0016483600000000 ]  - [  -0.0004485900000000,  0.0002250800000000,  0.0016180700000000 ]  - [  -0.0001720900000000, -0.0006015100000000,  0.0015895300000000 ]  - [   0.0040712600000000, -0.0026130000000000,  0.0079735500000000 ]  - [  -0.0035917400000000, -0.0024522800000000,  0.0022244800000000 ]  - [  -0.0030728900000000,  0.0027498700000000,  0.0009354000000000 ]  - [   0.0737487100000000, -0.0088405300000000,  0.0415751800000000 ]  - [   0.0094480100000000, -0.0270528100000000, -0.0244818400000000 ]  - [   0.0098087600000000,  0.0290896000000000,  0.0140506600000000 ]  - [  -0.0008588900000000,  0.0014266100000000,  0.0012789000000000 ]  - [  -0.0000072800000000, -0.0000276800000000,  0.0018813500000000 ]  - [  -0.0000055000000000,  0.0000182300000000,  0.0017954800000000 ]  - [   0.0013067600000000,  0.0003228700000000,  0.0027319000000000 ]  - [   0.0000072600000000,  0.0000000700000000,  0.0019288300000000 ]  - [  -0.0003068400000000,  0.0007754500000000,  0.0023461900000000 ]  - [   0.0011744000000000, -0.0000758200000000,  0.0003626900000000 ]  - [  -0.0000007600000000, -0.0000174700000000,  0.0018030500000000 ]  - [   0.0054558900000000, -0.0123403400000000,  0.0081356300000000 ]- atom:   73  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0112635300000000,  0.0002883500000000,  0.0083674800000000 ]  - [  -0.0028329700000000, -0.0114377700000000,  0.0139799300000000 ]  - [  -0.0034561100000000,  0.0104921500000000,  0.0158659400000000 ]  - [   0.0077532900000000,  0.0008944700000000,  0.0017284800000000 ]  - [  -0.0006985100000000, -0.0087364200000000,  0.0022199400000000 ]  - [  -0.1212592500000000,  0.0462514400000000,  0.0976838200000000 ]  - [   0.0018453700000000,  0.0009345300000000,  0.0001768800000000 ]  - [   0.0007696400000000, -0.0007652800000000,  0.0041576700000000 ]  - [  -0.0017069800000000, -0.0001869700000000,  0.0035632200000000 ]  - [   0.0069053100000000, -0.0001098700000000, -0.0040953800000000 ]  - [  -0.3322951000000000,  0.0259112400000000, -0.0243613200000000 ]  - [   0.0115637700000000, -0.0185307300000000, -0.0050548700000000 ]  - [   0.0165992900000000,  0.0157049600000000, -0.0061830300000000 ]  - [  -0.0107780800000000, -0.0004239600000000, -0.0043394800000000 ]  - [   0.0028055300000000, -0.0096022400000000, -0.0020259300000000 ]  - [   0.0057411200000000,  0.0048150800000000, -0.0035060000000000 ]  - [  -0.1170996600000000, -0.1081823000000000, -0.0134999200000000 ]  - [   0.0100955100000000, -0.0004566900000000, -0.0040166700000000 ]  - [  -0.0007824500000000,  0.0088186900000000, -0.0033937000000000 ]  - [  -0.0011382600000000,  0.0035915300000000,  0.0027919400000000 ]  - [  -0.0031551600000000, -0.0015901700000000,  0.0024849300000000 ]  - [   0.0019352300000000,  0.0001040900000000,  0.0005327200000000 ]  - [  -0.0731673700000000,  0.0241585800000000, -0.0362629500000000 ]  - [   0.0001976500000000, -0.0066232600000000, -0.0035895500000000 ]  - [   0.0002508500000000, -0.0002193800000000,  0.0008346200000000 ]  - [  -0.0003146100000000, -0.0001113700000000,  0.0008317600000000 ]  - [   0.0000622400000000,  0.0003263500000000,  0.0008355500000000 ]  - [   0.0007459900000000,  0.0001337200000000,  0.0009994900000000 ]  - [  -0.0002776800000000, -0.0007041900000000,  0.0009670400000000 ]  - [  -0.0004883900000000,  0.0005628400000000,  0.0010282000000000 ]  - [  -0.0007123600000000,  0.0001711700000000,  0.0010230200000000 ]  - [   0.0005055500000000,  0.0005290700000000,  0.0010218500000000 ]  - [   0.0002078300000000, -0.0007053100000000,  0.0010233000000000 ]  - [  -0.0002448900000000, -0.0001781100000000,  0.0007129700000000 ]  - [   0.0006991800000000,  0.0002585700000000,  0.0009244000000000 ]  - [  -0.0006397200000000,  0.0004544600000000,  0.0008985700000000 ]  - [  -0.0000580000000000, -0.0007074200000000,  0.0009253200000000 ]  - [   0.0004496000000000, -0.0003105800000000,  0.0002144200000000 ]  - [   0.0000468100000000,  0.0005437300000000,  0.0002146400000000 ]  - [  -0.0004934400000000, -0.0002302300000000,  0.0002165900000000 ]  - [   0.0001205500000000,  0.0006677400000000,  0.0003196200000000 ]  - [  -0.0007508300000000, -0.0003287600000000,  0.0004154700000000 ]  - [   0.0006927500000000, -0.0003461800000000,  0.0003164900000000 ]  - [   0.0005277300000000,  0.0004080900000000,  0.0009415900000000 ]  - [  -0.0006141300000000,  0.0002527300000000,  0.0009406800000000 ]  - [   0.0000904900000000, -0.0006611000000000,  0.0009429500000000 ]  - [   0.0003563100000000, -0.0000876400000000,  0.0008273600000000 ]  - [  -0.0002461600000000,  0.0003876200000000,  0.0006732300000000 ]  - [  -0.0005192900000000, -0.0003628800000000,  0.0008486200000000 ]  - [  -0.0006913000000000,  0.0005022100000000,  0.0005005400000000 ]  - [  -0.0001288000000000,  0.0005942100000000,  0.0025416800000000 ]  - [   0.0005308000000000,  0.0001601100000000,  0.0007892000000000 ]  - [  -0.0000848000000000, -0.0006148900000000,  0.0008444200000000 ]  - [  -0.0003447000000000,  0.0004289600000000,  0.0008456900000000 ]  - [  -0.0047740100000000,  0.0004670500000000,  0.0037940200000000 ]  - [   0.0011187800000000,  0.0036717200000000,  0.0019996300000000 ]  - [   0.0030936400000000, -0.0017891700000000,  0.0062792600000000 ]  - [  -0.0003002800000000, -0.0002361700000000,  0.0008077300000000 ]  - [   0.0007530500000000,  0.0002585100000000,  0.0010094100000000 ]  - [  -0.0005380200000000,  0.0005171100000000,  0.0009606200000000 ]  - [  -0.0002657600000000, -0.0007275400000000,  0.0010139700000000 ]  - [   0.0032209200000000, -0.0009939500000000,  0.0011037400000000 ]  - [  -0.0004515900000000,  0.0019770600000000, -0.0004116700000000 ]  - [  -0.0013681700000000, -0.0013641700000000, -0.0004166500000000 ]  - [   0.0000121800000000,  0.0005075600000000,  0.0001952900000000 ]  - [  -0.0004031900000000, -0.0002612700000000,  0.0002009200000000 ]  - [   0.0004009300000000, -0.0002484800000000,  0.0002095000000000 ]  - [   0.0010774700000000, -0.0006012000000000,  0.0019821400000000 ]  - [  -0.0020283300000000, -0.0008179600000000,  0.0023663200000000 ]  - [  -0.0008841700000000, -0.0006262500000000,  0.0009037400000000 ]  - [   0.0003420200000000, -0.0001283000000000,  0.0008096500000000 ]  - [  -0.0000573300000000,  0.0003532700000000,  0.0008205500000000 ]  - [   0.7110419000000000,  0.0025305500000000,  0.0064283100000000 ]  - [  -0.0119959200000000,  0.0202536600000000,  0.0043206500000000 ]  - [  -0.0178116000000000, -0.0168713200000000,  0.0060779800000000 ]  - [   0.0165247300000000, -0.0094684900000000, -0.0132506700000000 ]  - [  -0.0109747500000000, -0.0057731300000000, -0.0025790200000000 ]  - [   0.0032432600000000,  0.0139583300000000, -0.0124470000000000 ]  - [  -0.0007311200000000, -0.0002068900000000, -0.0017687900000000 ]  - [   0.0009333000000000, -0.0003591000000000, -0.0016077000000000 ]  - [  -0.0000608200000000,  0.0007130500000000, -0.0016300000000000 ]  - [  -0.0003369100000000, -0.0003694200000000, -0.0017595500000000 ]  - [  -0.0001529000000000,  0.0004739300000000, -0.0017553800000000 ]  - [   0.0004798200000000, -0.0001022000000000, -0.0017543900000000 ]  - [  -0.0007312400000000, -0.0000222300000000, -0.0016620600000000 ]  - [   0.0002908600000000, -0.0005045000000000, -0.0016344400000000 ]  - [   0.0004912200000000,  0.0006031000000000, -0.0016079600000000 ]  - [  -0.0039029900000000,  0.0023299900000000, -0.0080075100000000 ]  - [   0.0032652300000000,  0.0024337800000000, -0.0022242200000000 ]  - [   0.0032412400000000, -0.0024504000000000, -0.0009398700000000 ]  - [  -0.0736642000000000,  0.0088072800000000, -0.0414356700000000 ]  - [  -0.0093873300000000,  0.0271062100000000,  0.0244368400000000 ]  - [  -0.0097699800000000, -0.0291709700000000, -0.0142326500000000 ]  - [   0.0008637100000000, -0.0014269200000000, -0.0011239900000000 ]  - [   0.0000022800000000,  0.0000302000000000, -0.0017367100000000 ]  - [   0.0000083600000000, -0.0000198200000000, -0.0019655300000000 ]  - [  -0.0013092500000000, -0.0003224800000000, -0.0028808100000000 ]  - [  -0.0000050700000000,  0.0000018400000000, -0.0018092400000000 ]  - [   0.0003113500000000, -0.0007740100000000, -0.0021972100000000 ]  - [  -0.0011765000000000,  0.0000786100000000, -0.0005154300000000 ]  - [  -0.0000013000000000,  0.0000228300000000, -0.0019785500000000 ]  - [  -0.0054164500000000,  0.0124076800000000, -0.0080310400000000 ]- atom:   73  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0038432700000000,  0.0011484300000000,  0.0032156300000000 ]  - [  -0.0020685200000000,  0.0001666100000000,  0.0005619000000000 ]  - [  -0.0039666800000000,  0.0007724600000000,  0.0008558200000000 ]  - [   0.0167000800000000, -0.0044030300000000,  0.0181095500000000 ]  - [  -0.0061695200000000, -0.0162178800000000,  0.0193638900000000 ]  - [  -0.1027926800000000,  0.0922690100000000,  0.2694046900000000 ]  - [   0.0030574200000000,  0.0012773400000000, -0.0029853000000000 ]  - [  -0.0004406500000000, -0.0018823100000000, -0.0028869600000000 ]  - [  -0.0025161900000000,  0.0017235700000000, -0.0034482700000000 ]  - [  -0.0166532300000000,  0.0023479300000000,  0.0191387700000000 ]  - [   0.0454999900000000, -0.0033835000000000,  0.0773877100000000 ]  - [  -0.0039517300000000,  0.0066710200000000,  0.0101770800000000 ]  - [  -0.0043173400000000, -0.0068624600000000,  0.0094170800000000 ]  - [  -0.0092869200000000, -0.0028788500000000, -0.0069392500000000 ]  - [   0.0028271500000000, -0.0059855500000000, -0.0028557600000000 ]  - [   0.0074178000000000,  0.0051251400000000, -0.0057344700000000 ]  - [   0.0197365100000000,  0.0426239500000000,  0.0773992000000000 ]  - [  -0.0078734700000000, -0.0008622100000000,  0.0086809800000000 ]  - [   0.0041702600000000, -0.0062957500000000,  0.0094365600000000 ]  - [  -0.0027052400000000, -0.0030741200000000, -0.0012805700000000 ]  - [   0.0012547500000000,  0.0003641500000000, -0.0012779600000000 ]  - [   0.0005258900000000,  0.0023732300000000, -0.0014829100000000 ]  - [   0.0254298500000000, -0.1227147900000000,  0.2553396900000000 ]  - [   0.0039647600000000,  0.0164749000000000,  0.0179036200000000 ]  - [  -0.0023090700000000, -0.0001043100000000, -0.0040209900000000 ]  - [   0.0010709300000000,  0.0020488800000000, -0.0040255500000000 ]  - [   0.0012402700000000, -0.0019489700000000, -0.0040137000000000 ]  - [  -0.0017987100000000,  0.0002904900000000, -0.0037542300000000 ]  - [   0.0011644700000000,  0.0014675200000000, -0.0038608300000000 ]  - [   0.0006481800000000, -0.0017067100000000, -0.0037370200000000 ]  - [   0.0018288700000000,  0.0003018300000000, -0.0037989300000000 ]  - [  -0.0006608500000000, -0.0017321000000000, -0.0038009900000000 ]  - [  -0.0011718500000000,  0.0014346400000000, -0.0037922400000000 ]  - [   0.0022213600000000, -0.0001101600000000, -0.0039169300000000 ]  - [  -0.0020410900000000,  0.0003526600000000, -0.0020494000000000 ]  - [   0.0007094000000000, -0.0019899900000000, -0.0021369500000000 ]  - [   0.0013539700000000,  0.0015643900000000, -0.0020637300000000 ]  - [  -0.0022945500000000, -0.0001900600000000, -0.0028208800000000 ]  - [   0.0013172900000000, -0.0018932000000000, -0.0028223400000000 ]  - [   0.0009837300000000,  0.0020878400000000, -0.0028180700000000 ]  - [  -0.0013231600000000, -0.0018945700000000, -0.0027680900000000 ]  - [   0.0022215700000000, -0.0001452900000000, -0.0027804000000000 ]  - [  -0.0009789900000000,  0.0020633700000000, -0.0027396000000000 ]  - [  -0.0007293700000000, -0.0020005600000000, -0.0020853700000000 ]  - [   0.0020897800000000,  0.0003645300000000, -0.0020829200000000 ]  - [  -0.0013601600000000,  0.0016293300000000, -0.0020859000000000 ]  - [  -0.0010179000000000,  0.0019668300000000, -0.0038671700000000 ]  - [  -0.0012345200000000, -0.0017821600000000, -0.0040487500000000 ]  - [  -0.0023491100000000,  0.0001790600000000, -0.0031209500000000 ]  - [   0.0025397800000000,  0.0026193900000000, -0.0032111100000000 ]  - [   0.0008171200000000, -0.0032629800000000, -0.0036705400000000 ]  - [  -0.0016794300000000,  0.0002175900000000, -0.0038209600000000 ]  - [   0.0011153500000000,  0.0013682300000000, -0.0036976000000000 ]  - [   0.0006126600000000, -0.0016432400000000, -0.0036432900000000 ]  - [  -0.0013938500000000, -0.0014342500000000,  0.0007960800000000 ]  - [   0.0034984700000000,  0.0029591100000000,  0.0034147300000000 ]  - [  -0.0013979000000000, -0.0044261700000000,  0.0010798700000000 ]  - [   0.0023373200000000, -0.0001178600000000, -0.0040692200000000 ]  - [  -0.0021097800000000,  0.0003282500000000, -0.0020376000000000 ]  - [   0.0007399700000000, -0.0019652400000000, -0.0020084300000000 ]  - [   0.0013352400000000,  0.0015562200000000, -0.0020482100000000 ]  - [  -0.0042083400000000, -0.0013349100000000, -0.0020079600000000 ]  - [   0.0028797800000000, -0.0006713500000000, -0.0022134600000000 ]  - [   0.0005906000000000,  0.0013839700000000, -0.0020079200000000 ]  - [  -0.0012716400000000, -0.0018278700000000, -0.0027864400000000 ]  - [   0.0022139200000000, -0.0001480400000000, -0.0028002700000000 ]  - [  -0.0009878000000000,  0.0020311600000000, -0.0028719100000000 ]  - [  -0.0065733000000000, -0.0067871500000000, -0.0062093600000000 ]  - [   0.0080291500000000,  0.0043825300000000, -0.0050293700000000 ]  - [  -0.0042156000000000,  0.0051038700000000, -0.0021595500000000 ]  - [  -0.0010552100000000,  0.0020346900000000, -0.0039506100000000 ]  - [  -0.0012356600000000, -0.0019281500000000, -0.0039688600000000 ]  - [  -0.0043049000000000, -0.0171824000000000, -0.7336070200000000 ]  - [   0.0042073400000000, -0.0046516800000000, -0.0414861500000000 ]  - [  -0.0015998500000000,  0.0059758200000000, -0.0414683300000000 ]  - [   0.0133232500000000,  0.0014618700000000,  0.0059782400000000 ]  - [  -0.0103800600000000, -0.0084466700000000,  0.0034021800000000 ]  - [  -0.0008349200000000,  0.0025135700000000,  0.0034143000000000 ]  - [   0.0015796700000000,  0.0012131500000000,  0.0072523800000000 ]  - [  -0.0016743400000000,  0.0007831700000000,  0.0075781000000000 ]  - [   0.0001543300000000, -0.0018745600000000,  0.0072998600000000 ]  - [   0.0018283400000000,  0.0008783200000000,  0.0074035000000000 ]  - [  -0.0001542000000000, -0.0020203500000000,  0.0074196200000000 ]  - [  -0.0016737000000000,  0.0011536400000000,  0.0074186900000000 ]  - [   0.0016866400000000,  0.0010260700000000,  0.0072517800000000 ]  - [  -0.0017040700000000,  0.0008028200000000,  0.0072994500000000 ]  - [   0.0001504100000000, -0.0018476500000000,  0.0075720600000000 ]  - [   0.0080558100000000,  0.0105559400000000,  0.0059304300000000 ]  - [   0.0015134100000000, -0.0020738300000000,  0.0033909200000000 ]  - [  -0.0123694800000000, -0.0044624100000000,  0.0034031300000000 ]  - [   0.0160744000000000, -0.0027461900000000, -0.0096239000000000 ]  - [  -0.0213748200000000,  0.0498172600000000,  0.0261247800000000 ]  - [   0.0056242200000000,  0.0151961500000000, -0.0097241600000000 ]  - [   0.0001108600000000, -0.0006370800000000,  0.0074496400000000 ]  - [  -0.0000356000000000,  0.0000586400000000,  0.0080732900000000 ]  - [  -0.0000202600000000, -0.0000369800000000,  0.0078480000000000 ]  - [   0.0002688500000000, -0.0004327900000000,  0.0075808400000000 ]  - [  -0.0000414500000000,  0.0000004600000000,  0.0079984400000000 ]  - [  -0.0002379100000000,  0.0004433600000000,  0.0077345700000000 ]  - [  -0.0004930100000000,  0.0004106300000000,  0.0072888900000000 ]  - [   0.0000319200000000, -0.0000590900000000,  0.0079088000000000 ]  - [   0.0324422000000000, -0.0432875700000000,  0.0263208200000000 ]- atom:   91  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0200962500000000, -0.0066745400000000,  0.0021955400000000 ]  - [   0.0135831900000000,  0.0051776300000000, -0.0011814700000000 ]  - [   0.0070299800000000, -0.0056872700000000, -0.0004182100000000 ]  - [  -0.0092101100000000, -0.0054015400000000, -0.0041236000000000 ]  - [  -0.0002532800000000,  0.0077794700000000, -0.0040547700000000 ]  - [  -0.0170630200000000,  0.0093261600000000,  0.0086376900000000 ]  - [   0.0045784400000000, -0.0021532100000000, -0.0187237900000000 ]  - [   0.0040697800000000,  0.0017247400000000,  0.0120091500000000 ]  - [   0.0008524100000000, -0.0016347000000000,  0.0070766200000000 ]  - [  -0.0087561400000000, -0.0034466600000000,  0.0068428200000000 ]  - [   0.0151109400000000, -0.0015038700000000,  0.0189510800000000 ]  - [   0.0063363900000000, -0.0038300600000000, -0.0075621900000000 ]  - [   0.0100759400000000,  0.0053234200000000, -0.0113954300000000 ]  - [  -0.0051354700000000,  0.0020988900000000,  0.0005603500000000 ]  - [   0.0028238100000000, -0.0128649400000000,  0.0015649100000000 ]  - [  -0.0145846100000000, -0.0115721600000000, -0.0032654100000000 ]  - [  -0.0160096600000000, -0.0120977400000000, -0.0065907600000000 ]  - [  -0.0052137900000000,  0.0022398200000000,  0.0020269500000000 ]  - [   0.0023708400000000, -0.0135252500000000,  0.0034427300000000 ]  - [   0.0007680400000000,  0.0081413800000000,  0.0051777100000000 ]  - [  -0.0084834100000000, -0.0035098800000000,  0.0070121600000000 ]  - [  -0.0143986300000000,  0.0096319000000000, -0.0110295000000000 ]  - [  -0.0137398000000000,  0.0104903700000000, -0.0123704000000000 ]  - [  -0.0000857100000000,  0.0074142500000000,  0.0051641000000000 ]  - [  -0.0002624600000000, -0.0001939600000000, -0.0001079600000000 ]  - [  -0.0000531200000000,  0.0003277200000000, -0.0001487500000000 ]  - [   0.0002999400000000, -0.0001360500000000, -0.0001159500000000 ]  - [   0.0002761600000000,  0.0002021200000000,  0.0000487900000000 ]  - [  -0.0000896100000000, -0.0003989400000000,  0.0001357400000000 ]  - [  -0.0002960900000000, -0.0000343200000000,  0.0001816500000000 ]  - [  -0.0002582000000000,  0.0002012700000000,  0.0001450700000000 ]  - [   0.0002916700000000,  0.0001161000000000,  0.0001114000000000 ]  - [  -0.0000415300000000, -0.0003271700000000,  0.0001427700000000 ]  - [   0.0001404800000000,  0.0004146300000000, -0.0003993900000000 ]  - [   0.0001414800000000,  0.0000778600000000,  0.0003108900000000 ]  - [  -0.0006078500000000,  0.0001148500000000,  0.0004140800000000 ]  - [   0.0003866700000000,  0.0000513400000000,  0.0004108800000000 ]  - [  -0.0001207800000000, -0.0002869800000000, -0.0003788900000000 ]  - [   0.0002944100000000,  0.0000508900000000, -0.0003874500000000 ]  - [  -0.0001819400000000,  0.0002575500000000, -0.0003834300000000 ]  - [   0.0003485100000000, -0.0005098400000000, -0.0006094900000000 ]  - [  -0.0001621600000000, -0.0002603000000000,  0.0000794100000000 ]  - [   0.0008163300000000,  0.0008032300000000, -0.0006020900000000 ]  - [   0.0002997200000000, -0.0000320100000000,  0.0003777700000000 ]  - [  -0.0001183900000000,  0.0002738500000000,  0.0003636500000000 ]  - [  -0.0001600400000000, -0.0002481200000000,  0.0003822600000000 ]  - [  -0.0000178200000000,  0.0000833800000000,  0.0001993200000000 ]  - [  -0.0011207200000000,  0.0000211800000000, -0.0002024700000000 ]  - [  -0.0002991900000000, -0.0002946600000000, -0.0004534000000000 ]  - [   0.0000371400000000,  0.0004380900000000, -0.0000754200000000 ]  - [   0.0001372600000000, -0.0000081600000000,  0.0001162900000000 ]  - [   0.0002691000000000,  0.0001937400000000,  0.0000822700000000 ]  - [   0.0000613100000000, -0.0003336100000000,  0.0001364100000000 ]  - [  -0.0002746800000000,  0.0001344100000000,  0.0001399300000000 ]  - [  -0.0002025700000000, -0.0007707800000000, -0.0003145000000000 ]  - [   0.0005214600000000,  0.0002977500000000,  0.0004460000000000 ]  - [  -0.0008916200000000, -0.0005897300000000,  0.0002448400000000 ]  - [   0.0002695200000000, -0.0001969200000000, -0.0001463500000000 ]  - [   0.0001013500000000,  0.0002573400000000,  0.0003822500000000 ]  - [  -0.0002782500000000, -0.0000433000000000,  0.0003751400000000 ]  - [   0.0001396800000000, -0.0002282800000000,  0.0003711200000000 ]  - [  -0.0003766100000000, -0.0002552700000000, -0.0000259300000000 ]  - [   0.0005317200000000,  0.0002522100000000, -0.0004964800000000 ]  - [   0.0000150800000000, -0.0000360000000000, -0.0006090800000000 ]  - [  -0.0002769500000000,  0.0000281200000000, -0.0003767400000000 ]  - [   0.0001096300000000, -0.0002543100000000, -0.0003740900000000 ]  - [   0.0001536700000000,  0.0002261900000000, -0.0003903400000000 ]  - [  -0.0005270000000000, -0.0000140600000000,  0.0001660200000000 ]  - [  -0.0001103100000000,  0.0009464400000000,  0.0002257400000000 ]  - [  -0.0000596600000000, -0.0006114900000000,  0.0007486600000000 ]  - [   0.0000392200000000,  0.0003254500000000, -0.0001226200000000 ]  - [  -0.0002955200000000, -0.0001286200000000, -0.0001125200000000 ]  - [   0.0733822900000000, -0.0075958600000000,  0.0158614000000000 ]  - [   0.0096304100000000, -0.0281091800000000, -0.0056301000000000 ]  - [   0.0242805500000000,  0.0374398300000000, -0.0104224500000000 ]  - [   0.0095556000000000, -0.0148417600000000, -0.0213870800000000 ]  - [   0.0416258600000000,  0.0085027900000000,  0.0540029500000000 ]  - [   0.0055145600000000,  0.0248940600000000, -0.0324349100000000 ]  - [  -0.0003897700000000,  0.0013984200000000, -0.0002399000000000 ]  - [   0.0012363400000000,  0.0000157800000000, -0.0002663400000000 ]  - [  -0.0002838600000000, -0.0006926200000000,  0.0005103500000000 ]  - [   0.0000686600000000, -0.0001334400000000, -0.0000215800000000 ]  - [  -0.0001767800000000, -0.0000120200000000, -0.0000194500000000 ]  - [   0.0000836300000000,  0.0001346600000000,  0.0000407300000000 ]  - [  -0.0000852300000000,  0.0001180600000000, -0.0000352700000000 ]  - [  -0.0000790900000000, -0.0001041200000000, -0.0000335800000000 ]  - [   0.0001994100000000,  0.0000011400000000,  0.0000667900000000 ]  - [   0.0012571500000000,  0.0001094500000000, -0.0004988700000000 ]  - [  -0.0011632000000000,  0.0013339900000000,  0.0006058500000000 ]  - [  -0.0007745700000000, -0.0009614200000000, -0.0001082200000000 ]  - [  -0.1573926000000000, -0.0001311900000000,  0.0002051500000000 ]  - [   0.0124988600000000,  0.0000658900000000, -0.0000708500000000 ]  - [   0.0040783300000000,  0.0096206100000000, -0.0000791600000000 ]  - [   0.0073772600000000, -0.0069894400000000,  0.0000763300000000 ]  - [   0.0001467100000000,  0.0000572000000000,  0.0000783900000000 ]  - [   0.0001025600000000, -0.0000026300000000, -0.0000723800000000 ]  - [  -0.0110013300000000, -0.0024837900000000, -0.0000626700000000 ]  - [  -0.0000265400000000, -0.0000011800000000,  0.0000653700000000 ]  - [   0.0001512400000000, -0.0000521600000000,  0.0000815300000000 ]  - [  -0.0005496300000000,  0.0000033400000000, -0.0000587700000000 ]  - [   0.0000120300000000,  0.0000054700000000, -0.0000767400000000 ]  - [   0.0073603100000000, -0.0069389100000000,  0.0000721900000000 ]- atom:   91  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0189435700000000,  0.0060378500000000, -0.0010857100000000 ]  - [  -0.0139040700000000, -0.0049667200000000,  0.0013463600000000 ]  - [  -0.0064292800000000,  0.0055713000000000,  0.0003063800000000 ]  - [   0.0097635700000000,  0.0057957600000000,  0.0044397500000000 ]  - [   0.0003432900000000, -0.0085151600000000,  0.0043839600000000 ]  - [   0.0165290200000000, -0.0091324100000000, -0.0083635400000000 ]  - [  -0.0050901100000000,  0.0025315400000000,  0.0188668800000000 ]  - [  -0.0034586400000000, -0.0014593600000000, -0.0117500800000000 ]  - [  -0.0009259500000000,  0.0009616200000000, -0.0067500500000000 ]  - [   0.0093167300000000,  0.0030567000000000, -0.0070923700000000 ]  - [  -0.0168755100000000,  0.0023413300000000, -0.0198266600000000 ]  - [  -0.0069620400000000,  0.0035809200000000,  0.0081782100000000 ]  - [  -0.0094429300000000, -0.0051979300000000,  0.0116124500000000 ]  - [   0.0048320300000000, -0.0025928500000000, -0.0013082000000000 ]  - [  -0.0022667200000000,  0.0128950500000000, -0.0023141200000000 ]  - [   0.0142074900000000,  0.0119825900000000,  0.0024862500000000 ]  - [   0.0154582000000000,  0.0122413000000000,  0.0058870100000000 ]  - [   0.0055369000000000, -0.0028284000000000, -0.0028066000000000 ]  - [  -0.0019736700000000,  0.0140383900000000, -0.0042033100000000 ]  - [  -0.0002261500000000, -0.0081438900000000, -0.0043718700000000 ]  - [   0.0082238200000000,  0.0040102700000000, -0.0062347900000000 ]  - [   0.0140533300000000, -0.0100573700000000,  0.0117627900000000 ]  - [   0.0138345000000000, -0.0098509300000000,  0.0121685900000000 ]  - [  -0.0005168700000000, -0.0077456800000000, -0.0054536500000000 ]  - [  -0.0002609600000000, -0.0002027000000000, -0.0001356800000000 ]  - [  -0.0000248300000000,  0.0003377000000000, -0.0001145700000000 ]  - [   0.0003069100000000, -0.0001238300000000, -0.0001349600000000 ]  - [   0.0002570900000000,  0.0002014400000000,  0.0002091200000000 ]  - [   0.0001708700000000, -0.0002500100000000,  0.0001047400000000 ]  - [  -0.0003088900000000,  0.0002889100000000,  0.0000588300000000 ]  - [  -0.0002600500000000,  0.0001983900000000,  0.0001359400000000 ]  - [   0.0003044800000000,  0.0001288100000000,  0.0001466100000000 ]  - [  -0.0000445500000000, -0.0003159100000000,  0.0001219500000000 ]  - [   0.0003632700000000, -0.0008008000000000,  0.0001391800000000 ]  - [   0.0000461900000000,  0.0004962500000000,  0.0004454100000000 ]  - [   0.0000090900000000, -0.0002273100000000,  0.0003417500000000 ]  - [   0.0000040200000000, -0.0005124600000000,  0.0003486500000000 ]  - [  -0.0001087500000000, -0.0002850200000000, -0.0003895000000000 ]  - [   0.0003087800000000,  0.0000509400000000, -0.0003764100000000 ]  - [  -0.0001889300000000,  0.0002347700000000, -0.0003799000000000 ]  - [  -0.0009351800000000,  0.0005729400000000, -0.0001429500000000 ]  - [   0.0004223700000000, -0.0002826200000000, -0.0008336200000000 ]  - [  -0.0004731100000000, -0.0003034900000000, -0.0001530800000000 ]  - [   0.0002833200000000, -0.0000484300000000,  0.0003660000000000 ]  - [  -0.0001320200000000,  0.0002715200000000,  0.0003858300000000 ]  - [  -0.0001779300000000, -0.0002458900000000,  0.0003714400000000 ]  - [   0.0001046100000000,  0.0005630400000000, -0.0004713400000000 ]  - [   0.0005136200000000, -0.0002680400000000, -0.0000782900000000 ]  - [  -0.0002210800000000, -0.0001009400000000,  0.0001793200000000 ]  - [  -0.0001252800000000,  0.0002017100000000, -0.0001941700000000 ]  - [   0.0004709600000000, -0.0002452800000000, -0.0003999000000000 ]  - [   0.0002546700000000,  0.0001951700000000,  0.0001609700000000 ]  - [   0.0000140300000000, -0.0003138000000000,  0.0001040500000000 ]  - [  -0.0003275600000000,  0.0001276400000000,  0.0001051100000000 ]  - [  -0.0003380300000000,  0.0011794900000000,  0.0005874700000000 ]  - [   0.0000754900000000, -0.0000535300000000, -0.0002188500000000 ]  - [   0.0008178800000000, -0.0000717100000000,  0.0000200500000000 ]  - [   0.0002595900000000, -0.0001913300000000, -0.0001053600000000 ]  - [   0.0000869800000000,  0.0002506100000000,  0.0003646200000000 ]  - [  -0.0002686000000000, -0.0000185400000000,  0.0003781500000000 ]  - [   0.0001825700000000, -0.0002208900000000,  0.0003842900000000 ]  - [   0.0001322800000000, -0.0002891300000000, -0.0007270800000000 ]  - [   0.0000714400000000, -0.0002212800000000, -0.0002618900000000 ]  - [  -0.0003623800000000,  0.0005274600000000, -0.0001396700000000 ]  - [  -0.0002801600000000,  0.0000148100000000, -0.0003863000000000 ]  - [   0.0001135100000000, -0.0002490100000000, -0.0003851100000000 ]  - [   0.0001888200000000,  0.0001958400000000, -0.0003636100000000 ]  - [   0.0011307100000000, -0.0000933000000000,  0.0005932500000000 ]  - [  -0.0001063400000000, -0.0003815700000000,  0.0005325200000000 ]  - [  -0.0003261200000000,  0.0001332600000000,  0.0000146200000000 ]  - [   0.0000311700000000,  0.0003334100000000, -0.0001413600000000 ]  - [  -0.0003072100000000, -0.0001337600000000, -0.0001408400000000 ]  - [  -0.0740371000000000,  0.0079535200000000, -0.0161874300000000 ]  - [  -0.0099496200000000,  0.0280417500000000,  0.0056512400000000 ]  - [  -0.0240425500000000, -0.0374177700000000,  0.0103401700000000 ]  - [  -0.0092772000000000,  0.0144996700000000,  0.0212487000000000 ]  - [  -0.0415677500000000, -0.0084985400000000, -0.0535294900000000 ]  - [  -0.0053573500000000, -0.0246619000000000,  0.0324562200000000 ]  - [   0.0002258500000000, -0.0011090200000000,  0.0002394800000000 ]  - [  -0.0013829900000000, -0.0003075600000000,  0.0002678800000000 ]  - [   0.0006185800000000,  0.0006922500000000, -0.0005034700000000 ]  - [   0.0000830900000000, -0.0001510600000000,  0.0000164100000000 ]  - [  -0.0001501400000000,  0.0000162200000000,  0.0000265100000000 ]  - [   0.0000709700000000,  0.0001618200000000, -0.0000464900000000 ]  - [  -0.0000812800000000,  0.0001565600000000,  0.0000360500000000 ]  - [  -0.0000819000000000, -0.0001714900000000,  0.0000330900000000 ]  - [   0.0001201200000000, -0.0000066100000000, -0.0000706300000000 ]  - [  -0.0010933100000000, -0.0003968700000000,  0.0004915100000000 ]  - [   0.0008537100000000, -0.0013462700000000, -0.0005996000000000 ]  - [   0.0009461900000000,  0.0012407500000000,  0.0001104400000000 ]  - [   0.1578684400000000, -0.0001328600000000,  0.0002650100000000 ]  - [  -0.0124630900000000,  0.0000624800000000, -0.0000761100000000 ]  - [  -0.0041101200000000, -0.0096770700000000, -0.0000862600000000 ]  - [  -0.0073597400000000,  0.0069413500000000,  0.0000855900000000 ]  - [  -0.0001530900000000, -0.0000536700000000,  0.0000858600000000 ]  - [  -0.0000962000000000, -0.0000017700000000, -0.0000791300000000 ]  - [   0.0109429600000000,  0.0024968000000000, -0.0000677100000000 ]  - [   0.0000300600000000,  0.0000052600000000,  0.0000729400000000 ]  - [  -0.0001448500000000,  0.0000569500000000,  0.0000857100000000 ]  - [   0.0005481900000000,  0.0000025500000000, -0.0000675400000000 ]  - [  -0.0000139200000000,  0.0000052200000000, -0.0000819700000000 ]  - [  -0.0073760800000000,  0.0069917800000000,  0.0000798600000000 ]- atom:   91  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0147761000000000, -0.0054672800000000,  0.0162316700000000 ]  - [  -0.0121228500000000, -0.0100628400000000,  0.0162316700000000 ]  - [  -0.0026532500000000,  0.0155301200000000,  0.0162316700000000 ]  - [   0.0158799600000000,  0.0062418100000000,  0.0179313300000000 ]  - [  -0.0025344100000000, -0.0168733600000000,  0.0179313300000000 ]  - [  -0.0133455500000000,  0.0106315400000000,  0.0179313300000000 ]  - [  -0.0024236600000000, -0.0010914200000000, -0.0059670500000000 ]  - [   0.0002666300000000,  0.0026446600000000, -0.0059670500000000 ]  - [   0.0021570300000000, -0.0015532400000000, -0.0059670500000000 ]  - [   0.0056371900000000,  0.0040214700000000, -0.0014210200000000 ]  - [   0.0130507600000000, -0.0008811400000000,  0.0238859700000000 ]  - [  -0.0057622900000000,  0.0117428600000000,  0.0238859700000000 ]  - [  -0.0072884700000000, -0.0108617100000000,  0.0238859700000000 ]  - [   0.0167139700000000, -0.0043972800000000,  0.0029175700000000 ]  - [  -0.0045488300000000,  0.0166733600000000,  0.0029175700000000 ]  - [  -0.0121651400000000, -0.0122760800000000,  0.0029175700000000 ]  - [  -0.0084025900000000, -0.0032058100000000,  0.0000332400000000 ]  - [   0.0069776100000000, -0.0056739600000000,  0.0000332400000000 ]  - [   0.0014249800000000,  0.0088797700000000,  0.0000332400000000 ]  - [   0.0008633000000000, -0.0076255800000000, -0.0041708200000000 ]  - [   0.0061722900000000,  0.0045604300000000, -0.0041708200000000 ]  - [  -0.0070355900000000,  0.0030651500000000, -0.0041708200000000 ]  - [  -0.0063012900000000,  0.0028712100000000, -0.0014210200000000 ]  - [   0.0006641000000000, -0.0068926800000000, -0.0014210200000000 ]  - [  -0.0024344200000000, -0.0000915700000000, -0.0042657700000000 ]  - [   0.0011379000000000,  0.0021540500000000, -0.0042657700000000 ]  - [   0.0012965100000000, -0.0020624800000000, -0.0042657700000000 ]  - [  -0.0020316900000000,  0.0004073400000000, -0.0040129100000000 ]  - [   0.0013686100000000,  0.0015558200000000, -0.0040129100000000 ]  - [   0.0006630800000000, -0.0019631700000000, -0.0040129100000000 ]  - [   0.0019742300000000,  0.0003001700000000, -0.0040794000000000 ]  - [  -0.0007271600000000, -0.0018598200000000, -0.0040794000000000 ]  - [  -0.0012470700000000,  0.0015596500000000, -0.0040794000000000 ]  - [   0.0022148300000000,  0.0000683900000000, -0.0039231300000000 ]  - [  -0.0024317500000000,  0.0002942200000000, -0.0021623600000000 ]  - [   0.0009610700000000, -0.0022530600000000, -0.0021623600000000 ]  - [   0.0014706700000000,  0.0019588400000000, -0.0021623600000000 ]  - [  -0.0024500700000000, -0.0001848800000000, -0.0029967000000000 ]  - [   0.0013851400000000, -0.0020293900000000, -0.0029967000000000 ]  - [   0.0010649300000000,  0.0022142600000000, -0.0029967000000000 ]  - [  -0.0016458300000000, -0.0026784600000000, -0.0033061600000000 ]  - [   0.0031425300000000, -0.0000861000000000, -0.0033061600000000 ]  - [  -0.0014967000000000,  0.0027645600000000, -0.0033061600000000 ]  - [  -0.0008042500000000, -0.0021338000000000, -0.0022607200000000 ]  - [   0.0022500400000000,  0.0003704000000000, -0.0022607200000000 ]  - [  -0.0014458000000000,  0.0017634000000000, -0.0022607200000000 ]  - [  -0.0011666500000000,  0.0018839000000000, -0.0039231300000000 ]  - [  -0.0010481900000000, -0.0019523000000000, -0.0039231300000000 ]  - [  -0.0025075700000000, -0.0002297100000000, -0.0041188900000000 ]  - [   0.0010548500000000,  0.0022864800000000, -0.0041188900000000 ]  - [   0.0014527200000000, -0.0020567700000000, -0.0041188900000000 ]  - [  -0.0020377600000000,  0.0002956000000000, -0.0041607700000000 ]  - [   0.0012748800000000,  0.0016169500000000, -0.0041607700000000 ]  - [   0.0007628800000000, -0.0019125500000000, -0.0041607700000000 ]  - [   0.0010427200000000, -0.0000019800000000, -0.0032320100000000 ]  - [  -0.0005230700000000, -0.0009020400000000, -0.0032320100000000 ]  - [  -0.0005196500000000,  0.0009040100000000, -0.0032320100000000 ]  - [   0.0024403000000000, -0.0000872100000000, -0.0042961300000000 ]  - [  -0.0022427600000000,  0.0003444400000000, -0.0022368100000000 ]  - [   0.0008230900000000, -0.0021145100000000, -0.0022368100000000 ]  - [   0.0014196800000000,  0.0017700700000000, -0.0022368100000000 ]  - [  -0.0016794700000000, -0.0002639900000000, -0.0030744900000000 ]  - [   0.0010683500000000, -0.0013224700000000, -0.0030744900000000 ]  - [   0.0006111100000000,  0.0015864600000000, -0.0030744900000000 ]  - [  -0.0013509800000000, -0.0020559200000000, -0.0030033600000000 ]  - [   0.0024559700000000, -0.0001420300000000, -0.0030033600000000 ]  - [  -0.0011049900000000,  0.0021979400000000, -0.0030033600000000 ]  - [  -0.0004992000000000, -0.0018111100000000, -0.0018474100000000 ]  - [   0.0018180600000000,  0.0004732400000000, -0.0018474100000000 ]  - [  -0.0013188700000000,  0.0013378700000000, -0.0018474100000000 ]  - [  -0.0011446300000000,  0.0021569700000000, -0.0042961300000000 ]  - [  -0.0012956700000000, -0.0020697600000000, -0.0042961300000000 ]  - [   0.0414009800000000, -0.0074904100000000, -0.0096750400000000 ]  - [  -0.0142136100000000,  0.0395995100000000, -0.0096750400000000 ]  - [  -0.0271873800000000, -0.0321091000000000, -0.0096750400000000 ]  - [  -0.0244366800000000,  0.0234143000000000,  0.0262339900000000 ]  - [   0.0324957200000000,  0.0094556300000000,  0.0262339900000000 ]  - [  -0.0080590400000000, -0.0328699300000000,  0.0262339900000000 ]  - [   0.0021882800000000,  0.0020744000000000,  0.0076533300000000 ]  - [  -0.0028906200000000,  0.0008579000000000,  0.0076533300000000 ]  - [   0.0007023400000000, -0.0029323000000000,  0.0076533300000000 ]  - [   0.0019660300000000,  0.0009310800000000,  0.0079311700000000 ]  - [  -0.0001766800000000, -0.0021681700000000,  0.0079311700000000 ]  - [  -0.0017893500000000,  0.0012370900000000,  0.0079311700000000 ]  - [   0.0017273200000000,  0.0012804100000000,  0.0079943200000000 ]  - [  -0.0019725300000000,  0.0008557000000000,  0.0079943200000000 ]  - [   0.0002452100000000, -0.0021361100000000,  0.0079943200000000 ]  - [   0.0005273600000000,  0.0009906600000000,  0.0073687200000000 ]  - [   0.0005942600000000, -0.0009520400000000,  0.0073687200000000 ]  - [  -0.0011216200000000, -0.0000386200000000,  0.0073687200000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.1728198400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0383941700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0032736800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0063436500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0084550600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0084158300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0119040500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0085997200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0084575200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0090687800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0084270300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0063576300000000 ]- atom:   91  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0142405900000000,  0.0049279100000000, -0.0159082800000000 ]  - [   0.0113879900000000,  0.0098687600000000, -0.0159082800000000 ]  - [   0.0028526000000000, -0.0147966700000000, -0.0159082800000000 ]  - [  -0.0153999400000000, -0.0058505300000000, -0.0176772400000000 ]  - [   0.0026332600000000,  0.0162620000000000, -0.0176772400000000 ]  - [   0.0127666800000000, -0.0104114800000000, -0.0176772400000000 ]  - [   0.0018853900000000,  0.0014787400000000,  0.0062016300000000 ]  - [   0.0003379300000000, -0.0023721700000000,  0.0062016300000000 ]  - [  -0.0022233200000000,  0.0008934300000000,  0.0062016300000000 ]  - [  -0.0051241600000000, -0.0044051100000000,  0.0011914800000000 ]  - [  -0.0138124100000000,  0.0015541900000000, -0.0236114800000000 ]  - [   0.0055602400000000, -0.0127389900000000, -0.0236114800000000 ]  - [   0.0082521700000000,  0.0111848000000000, -0.0236114800000000 ]  - [  -0.0168889000000000,  0.0038788600000000, -0.0036423100000000 ]  - [   0.0050852600000000, -0.0165656500000000, -0.0036423100000000 ]  - [   0.0118036400000000,  0.0126867900000000, -0.0036423100000000 ]  - [   0.0077991600000000,  0.0033186800000000, -0.0007860800000000 ]  - [  -0.0067736500000000,  0.0050949300000000, -0.0007860800000000 ]  - [  -0.0010255200000000, -0.0084136200000000, -0.0007860800000000 ]  - [  -0.0003228300000000,  0.0075465100000000,  0.0049400300000000 ]  - [  -0.0063740500000000, -0.0040528300000000,  0.0049400300000000 ]  - [   0.0066968800000000, -0.0034936800000000,  0.0049400300000000 ]  - [   0.0063770200000000, -0.0022351000000000,  0.0011914800000000 ]  - [  -0.0012528600000000,  0.0066402100000000,  0.0011914800000000 ]  - [   0.0019469000000000, -0.0003013800000000,  0.0040620100000000 ]  - [  -0.0012344500000000, -0.0015353700000000,  0.0040620100000000 ]  - [  -0.0007124500000000,  0.0018367500000000,  0.0040620100000000 ]  - [   0.0025217600000000, -0.0000135900000000,  0.0042224300000000 ]  - [  -0.0012726500000000, -0.0021771200000000,  0.0042224300000000 ]  - [  -0.0012491200000000,  0.0021907000000000,  0.0042224300000000 ]  - [  -0.0024454800000000,  0.0000880500000000,  0.0042998100000000 ]  - [   0.0012989900000000,  0.0020738200000000,  0.0042998100000000 ]  - [   0.0011464900000000, -0.0021618700000000,  0.0042998100000000 ]  - [  -0.0017456200000000, -0.0004586600000000,  0.0036994700000000 ]  - [   0.0026120300000000,  0.0002764800000000,  0.0029077600000000 ]  - [  -0.0015454500000000,  0.0021238500000000,  0.0029077600000000 ]  - [  -0.0010665800000000, -0.0024003200000000,  0.0029077600000000 ]  - [   0.0022735600000000, -0.0003870100000000,  0.0022505400000000 ]  - [  -0.0008016200000000,  0.0021624700000000,  0.0022505400000000 ]  - [  -0.0014719400000000, -0.0017754600000000,  0.0022505400000000 ]  - [   0.0010592900000000,  0.0027459000000000,  0.0025647200000000 ]  - [  -0.0029076600000000, -0.0004555700000000,  0.0025647200000000 ]  - [   0.0018483700000000, -0.0022903200000000,  0.0025647200000000 ]  - [   0.0013891900000000,  0.0020617000000000,  0.0029983900000000 ]  - [  -0.0024800800000000,  0.0001722300000000,  0.0029983900000000 ]  - [   0.0010908900000000, -0.0022339300000000,  0.0029983900000000 ]  - [   0.0012700200000000, -0.0012824200000000,  0.0036994700000000 ]  - [   0.0004755900000000,  0.0017410800000000,  0.0036994700000000 ]  - [   0.0020349800000000, -0.0001580700000000,  0.0038896500000000 ]  - [  -0.0011543800000000, -0.0016833100000000,  0.0038896500000000 ]  - [  -0.0008806000000000,  0.0018413800000000,  0.0038896500000000 ]  - [   0.0025246900000000,  0.0000869300000000,  0.0043597300000000 ]  - [  -0.0011870600000000, -0.0022299100000000,  0.0043597300000000 ]  - [  -0.0013376300000000,  0.0021429800000000,  0.0043597300000000 ]  - [  -0.0015221600000000,  0.0003985900000000,  0.0034296300000000 ]  - [   0.0011062700000000,  0.0011189400000000,  0.0034296300000000 ]  - [   0.0004158900000000, -0.0015175200000000,  0.0034296300000000 ]  - [  -0.0019562700000000, -0.0002950600000000,  0.0040969000000000 ]  - [   0.0024046900000000,  0.0001640300000000,  0.0029727900000000 ]  - [  -0.0013443900000000,  0.0020005100000000,  0.0029727900000000 ]  - [  -0.0010602900000000, -0.0021645300000000,  0.0029727900000000 ]  - [   0.0014420800000000, -0.0002783900000000,  0.0023344400000000 ]  - [  -0.0004799500000000,  0.0013880800000000,  0.0023344400000000 ]  - [  -0.0009621400000000, -0.0011096900000000,  0.0023344400000000 ]  - [   0.0008264600000000,  0.0021633900000000,  0.0022636100000000 ]  - [  -0.0022867800000000, -0.0003659600000000,  0.0022636100000000 ]  - [   0.0014603200000000, -0.0017974300000000,  0.0022636100000000 ]  - [   0.0010806300000000,  0.0016781000000000,  0.0025856000000000 ]  - [  -0.0019935900000000,  0.0000968000000000,  0.0025856000000000 ]  - [   0.0009129700000000, -0.0017749000000000,  0.0025856000000000 ]  - [   0.0012336700000000, -0.0015466500000000,  0.0040969000000000 ]  - [   0.0007226000000000,  0.0018417200000000,  0.0040969000000000 ]  - [  -0.0416087500000000,  0.0077705200000000,  0.0096688900000000 ]  - [   0.0140749000000000, -0.0399195000000000,  0.0096688900000000 ]  - [   0.0275338500000000,  0.0321489700000000,  0.0096688900000000 ]  - [   0.0244838800000000, -0.0234942700000000, -0.0262077800000000 ]  - [  -0.0325885800000000, -0.0094565300000000, -0.0262077800000000 ]  - [   0.0081047000000000,  0.0329508000000000, -0.0262077800000000 ]  - [  -0.0023513000000000, -0.0017915300000000, -0.0076551900000000 ]  - [   0.0027271600000000, -0.0011405300000000, -0.0076551900000000 ]  - [  -0.0003758600000000,  0.0029320500000000, -0.0076551900000000 ]  - [  -0.0017999800000000, -0.0012057400000000, -0.0079284600000000 ]  - [  -0.0001442100000000,  0.0021617000000000, -0.0079284600000000 ]  - [   0.0019441900000000, -0.0009559600000000, -0.0079284600000000 ]  - [  -0.0018861000000000, -0.0010048900000000, -0.0079908800000000 ]  - [   0.0018133100000000, -0.0011309700000000, -0.0079908800000000 ]  - [   0.0000727900000000,  0.0021358600000000, -0.0079908800000000 ]  - [  -0.0003567000000000, -0.0012672100000000, -0.0073619900000000 ]  - [  -0.0009190800000000,  0.0009425200000000, -0.0073619900000000 ]  - [   0.0012757900000000,  0.0003246900000000, -0.0073619900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.1724735500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0382107500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0034047600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0061987300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0082967900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0085748500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0119936800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0084643900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0082929900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0092111100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0085841400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0061723100000000 ]