# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/bbf185f1-b2bb-4adb-b385-d6e30cee4b2d/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 SrMgH4 / Cmc2_1 (36) / materials id 643009](https://mdr.nims.go.jp/datasets/442bb300-d8eb-4316-811c-8d3f44d686c1) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Cmc2_1" number: 36 Hall_symbol: "C 2c -2"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 3, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 1.969221510000000, -6.630742475000000, 0.000000000000000 ] # a - [ 1.969221510000000, 6.630742475000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.530702710000000 ] # c points: - symbol: Sr # 1 coordinates: [ 0.150392090000000, 0.849607910000000, 0.244832240000000 ] mass: 87.620000 - symbol: Sr # 2 coordinates: [ 0.849607910000000, 0.150392090000000, 0.744832240000000 ] mass: 87.620000 - symbol: Mg # 3 coordinates: [ 0.415112370000000, 0.584887630000000, 0.288901400000000 ] mass: 24.305000 - symbol: Mg # 4 coordinates: [ 0.584887630000000, 0.415112370000000, 0.788901400000000 ] mass: 24.305000 - symbol: H # 5 coordinates: [ 0.331687040000000, 0.668312960000000, 0.010864630000000 ] mass: 1.007940 - symbol: H # 6 coordinates: [ 0.668312960000000, 0.331687040000000, 0.510864630000000 ] mass: 1.007940 - symbol: H # 7 coordinates: [ 0.298271830000000, 0.701728170000000, 0.495279810000000 ] mass: 1.007940 - symbol: H # 8 coordinates: [ 0.701728170000000, 0.298271830000000, 0.995279810000000 ] mass: 1.007940 - symbol: H # 9 coordinates: [ 0.071810950000000, 0.928189050000000, 0.823526770000000 ] mass: 1.007940 - symbol: H # 10 coordinates: [ 0.928189050000000, 0.071810950000000, 0.323526770000000 ] mass: 1.007940 - symbol: H # 11 coordinates: [ 0.541637200000000, 0.458362800000000, 0.135595140000000 ] mass: 1.007940 - symbol: H # 12 coordinates: [ 0.458362800000000, 0.541637200000000, 0.635595140000000 ] mass: 1.007940 reciprocal_lattice: # without 2pi - [ 0.253907443860899, -0.075406336754166, 0.000000000000000 ] # a* - [ 0.253907443860899, 0.075406336754166, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.180808850599023 ] # c*unit_cell: lattice: - [ 3.938443020000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 13.261484950000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.530702710000000 ] # c points: - symbol: Sr # 1 coordinates: [ 0.500000000000000, 0.349607910000000, 0.244832240000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 2 coordinates: [ 0.000000000000000, 0.150392090000000, 0.744832240000000 ] mass: 87.620000 reduced_to: 2 - symbol: Sr # 3 coordinates: [ 0.000000000000000, 0.849607910000000, 0.244832240000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 4 coordinates: [ 0.500000000000000, 0.650392090000000, 0.744832240000000 ] mass: 87.620000 reduced_to: 2 - symbol: Mg # 5 coordinates: [ 0.500000000000000, 0.084887630000000, 0.288901400000000 ] mass: 24.305000 reduced_to: 5 - symbol: Mg # 6 coordinates: [ 0.000000000000000, 0.415112370000000, 0.788901400000000 ] mass: 24.305000 reduced_to: 6 - symbol: Mg # 7 coordinates: [ 0.000000000000000, 0.584887630000000, 0.288901400000000 ] mass: 24.305000 reduced_to: 5 - symbol: Mg # 8 coordinates: [ 0.500000000000000, 0.915112370000000, 0.788901400000000 ] mass: 24.305000 reduced_to: 6 - symbol: H # 9 coordinates: [ 0.500000000000000, 0.168312960000000, 0.010864630000000 ] mass: 1.007940 reduced_to: 9 - symbol: H # 10 coordinates: [ 0.000000000000000, 0.331687040000000, 0.510864630000000 ] mass: 1.007940 reduced_to: 10 - symbol: H # 11 coordinates: [ 0.500000000000000, 0.201728170000000, 0.495279810000000 ] mass: 1.007940 reduced_to: 11 - symbol: H # 12 coordinates: [ 0.000000000000000, 0.298271830000000, 0.995279810000000 ] mass: 1.007940 reduced_to: 12 - symbol: H # 13 coordinates: [ 0.500000000000000, 0.428189050000000, 0.823526770000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 14 coordinates: [ 0.000000000000000, 0.071810950000000, 0.323526770000000 ] mass: 1.007940 reduced_to: 14 - symbol: H # 15 coordinates: [ 0.000000000000000, 0.458362800000000, 0.135595140000000 ] mass: 1.007940 reduced_to: 15 - symbol: H # 16 coordinates: [ 0.500000000000000, 0.041637200000000, 0.635595140000000 ] mass: 1.007940 reduced_to: 16 - symbol: H # 17 coordinates: [ 0.000000000000000, 0.668312960000000, 0.010864630000000 ] mass: 1.007940 reduced_to: 9 - symbol: H # 18 coordinates: [ 0.500000000000000, 0.831687040000000, 0.510864630000000 ] mass: 1.007940 reduced_to: 10 - symbol: H # 19 coordinates: [ 0.000000000000000, 0.701728170000000, 0.495279810000000 ] mass: 1.007940 reduced_to: 11 - symbol: H # 20 coordinates: [ 0.500000000000000, 0.798271830000000, 0.995279810000000 ] mass: 1.007940 reduced_to: 12 - symbol: H # 21 coordinates: [ 0.000000000000000, 0.928189050000000, 0.823526770000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 22 coordinates: [ 0.500000000000000, 0.571810950000000, 0.323526770000000 ] mass: 1.007940 reduced_to: 14 - symbol: H # 23 coordinates: [ 0.500000000000000, 0.958362800000000, 0.135595140000000 ] mass: 1.007940 reduced_to: 15 - symbol: H # 24 coordinates: [ 0.000000000000000, 0.541637200000000, 0.635595140000000 ] mass: 1.007940 reduced_to: 16supercell: lattice: - [ 11.815329060000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 13.261484950000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.061405420000000 ] # c points: - symbol: Sr # 1 coordinates: [ 0.166666666666667, 0.349607910000000, 0.122416120000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 2 coordinates: [ 0.500000000000000, 0.349607910000000, 0.122416120000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 3 coordinates: [ 0.833333333333333, 0.349607910000000, 0.122416120000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 4 coordinates: [ 0.166666666666667, 0.349607910000000, 0.622416120000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 5 coordinates: [ 0.500000000000000, 0.349607910000000, 0.622416120000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 6 coordinates: [ 0.833333333333333, 0.349607910000000, 0.622416120000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 7 coordinates: [ 0.000000000000000, 0.150392090000000, 0.372416120000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 8 coordinates: [ 0.333333333333333, 0.150392090000000, 0.372416120000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 9 coordinates: [ 0.666666666666667, 0.150392090000000, 0.372416120000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 10 coordinates: [ 0.000000000000000, 0.150392090000000, 0.872416120000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 11 coordinates: [ 0.333333333333333, 0.150392090000000, 0.872416120000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 12 coordinates: [ 0.666666666666667, 0.150392090000000, 0.872416120000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 13 coordinates: [ 0.000000000000000, 0.849607910000000, 0.122416120000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 14 coordinates: [ 0.333333333333333, 0.849607910000000, 0.122416120000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 15 coordinates: [ 0.666666666666667, 0.849607910000000, 0.122416120000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 16 coordinates: [ 0.000000000000000, 0.849607910000000, 0.622416120000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 17 coordinates: [ 0.333333333333333, 0.849607910000000, 0.622416120000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 18 coordinates: [ 0.666666666666667, 0.849607910000000, 0.622416120000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 19 coordinates: [ 0.166666666666667, 0.650392090000000, 0.372416120000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 20 coordinates: [ 0.500000000000000, 0.650392090000000, 0.372416120000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 21 coordinates: [ 0.833333333333333, 0.650392090000000, 0.372416120000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 22 coordinates: [ 0.166666666666667, 0.650392090000000, 0.872416120000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 23 coordinates: [ 0.500000000000000, 0.650392090000000, 0.872416120000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 24 coordinates: [ 0.833333333333333, 0.650392090000000, 0.872416120000000 ] mass: 87.620000 reduced_to: 7 - symbol: Mg # 25 coordinates: [ 0.166666666666667, 0.084887630000000, 0.144450700000000 ] mass: 24.305000 reduced_to: 25 - symbol: Mg # 26 coordinates: [ 0.500000000000000, 0.084887630000000, 0.144450700000000 ] mass: 24.305000 reduced_to: 25 - symbol: Mg # 27 coordinates: [ 0.833333333333333, 0.084887630000000, 0.144450700000000 ] mass: 24.305000 reduced_to: 25 - symbol: Mg # 28 coordinates: [ 0.166666666666667, 0.084887630000000, 0.644450700000000 ] mass: 24.305000 reduced_to: 25 - symbol: Mg # 29 coordinates: [ 0.500000000000000, 0.084887630000000, 0.644450700000000 ] mass: 24.305000 reduced_to: 25 - symbol: Mg # 30 coordinates: [ 0.833333333333333, 0.084887630000000, 0.644450700000000 ] mass: 24.305000 reduced_to: 25 - symbol: Mg # 31 coordinates: [ 0.000000000000000, 0.415112370000000, 0.394450700000000 ] mass: 24.305000 reduced_to: 31 - symbol: Mg # 32 coordinates: [ 0.333333333333333, 0.415112370000000, 0.394450700000000 ] mass: 24.305000 reduced_to: 31 - symbol: Mg # 33 coordinates: [ 0.666666666666667, 0.415112370000000, 0.394450700000000 ] mass: 24.305000 reduced_to: 31 - symbol: Mg # 34 coordinates: [ 0.000000000000000, 0.415112370000000, 0.894450700000000 ] mass: 24.305000 reduced_to: 31 - symbol: Mg # 35 coordinates: [ 0.333333333333333, 0.415112370000000, 0.894450700000000 ] mass: 24.305000 reduced_to: 31 - symbol: Mg # 36 coordinates: [ 0.666666666666667, 0.415112370000000, 0.894450700000000 ] mass: 24.305000 reduced_to: 31 - symbol: Mg # 37 coordinates: [ 0.000000000000000, 0.584887630000000, 0.144450700000000 ] mass: 24.305000 reduced_to: 25 - symbol: Mg # 38 coordinates: [ 0.333333333333333, 0.584887630000000, 0.144450700000000 ] mass: 24.305000 reduced_to: 25 - symbol: Mg # 39 coordinates: [ 0.666666666666667, 0.584887630000000, 0.144450700000000 ] mass: 24.305000 reduced_to: 25 - symbol: Mg # 40 coordinates: [ 0.000000000000000, 0.584887630000000, 0.644450700000000 ] mass: 24.305000 reduced_to: 25 - symbol: Mg # 41 coordinates: [ 0.333333333333333, 0.584887630000000, 0.644450700000000 ] mass: 24.305000 reduced_to: 25 - symbol: Mg # 42 coordinates: [ 0.666666666666667, 0.584887630000000, 0.644450700000000 ] mass: 24.305000 reduced_to: 25 - symbol: Mg # 43 coordinates: [ 0.166666666666667, 0.915112370000000, 0.394450700000000 ] mass: 24.305000 reduced_to: 31 - symbol: Mg # 44 coordinates: [ 0.500000000000000, 0.915112370000000, 0.394450700000000 ] mass: 24.305000 reduced_to: 31 - symbol: Mg # 45 coordinates: [ 0.833333333333333, 0.915112370000000, 0.394450700000000 ] mass: 24.305000 reduced_to: 31 - symbol: Mg # 46 coordinates: [ 0.166666666666667, 0.915112370000000, 0.894450700000000 ] mass: 24.305000 reduced_to: 31 - symbol: Mg # 47 coordinates: [ 0.500000000000000, 0.915112370000000, 0.894450700000000 ] mass: 24.305000 reduced_to: 31 - symbol: Mg # 48 coordinates: [ 0.833333333333333, 0.915112370000000, 0.894450700000000 ] mass: 24.305000 reduced_to: 31 - symbol: H # 49 coordinates: [ 0.166666666666667, 0.168312960000000, 0.005432315000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 50 coordinates: [ 0.500000000000000, 0.168312960000000, 0.005432315000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 51 coordinates: [ 0.833333333333333, 0.168312960000000, 0.005432315000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 52 coordinates: [ 0.166666666666667, 0.168312960000000, 0.505432315000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 53 coordinates: [ 0.500000000000000, 0.168312960000000, 0.505432315000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 54 coordinates: [ 0.833333333333333, 0.168312960000000, 0.505432315000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 55 coordinates: [ 0.000000000000000, 0.331687040000000, 0.255432315000000 ] mass: 1.007940 reduced_to: 55 - symbol: H # 56 coordinates: [ 0.333333333333333, 0.331687040000000, 0.255432315000000 ] mass: 1.007940 reduced_to: 55 - symbol: H # 57 coordinates: [ 0.666666666666667, 0.331687040000000, 0.255432315000000 ] mass: 1.007940 reduced_to: 55 - symbol: H # 58 coordinates: [ 0.000000000000000, 0.331687040000000, 0.755432315000000 ] mass: 1.007940 reduced_to: 55 - symbol: H # 59 coordinates: [ 0.333333333333333, 0.331687040000000, 0.755432315000000 ] mass: 1.007940 reduced_to: 55 - symbol: H # 60 coordinates: [ 0.666666666666667, 0.331687040000000, 0.755432315000000 ] mass: 1.007940 reduced_to: 55 - symbol: H # 61 coordinates: [ 0.166666666666667, 0.201728170000000, 0.247639905000000 ] mass: 1.007940 reduced_to: 61 - symbol: H # 62 coordinates: [ 0.500000000000000, 0.201728170000000, 0.247639905000000 ] mass: 1.007940 reduced_to: 61 - symbol: H # 63 coordinates: [ 0.833333333333333, 0.201728170000000, 0.247639905000000 ] mass: 1.007940 reduced_to: 61 - symbol: H # 64 coordinates: [ 0.166666666666667, 0.201728170000000, 0.747639905000000 ] mass: 1.007940 reduced_to: 61 - symbol: H # 65 coordinates: [ 0.500000000000000, 0.201728170000000, 0.747639905000000 ] mass: 1.007940 reduced_to: 61 - symbol: H # 66 coordinates: [ 0.833333333333333, 0.201728170000000, 0.747639905000000 ] mass: 1.007940 reduced_to: 61 - symbol: H # 67 coordinates: [ 0.000000000000000, 0.298271830000000, 0.497639905000000 ] mass: 1.007940 reduced_to: 67 - symbol: H # 68 coordinates: [ 0.333333333333333, 0.298271830000000, 0.497639905000000 ] mass: 1.007940 reduced_to: 67 - symbol: H # 69 coordinates: [ 0.666666666666667, 0.298271830000000, 0.497639905000000 ] mass: 1.007940 reduced_to: 67 - symbol: H # 70 coordinates: [ 0.000000000000000, 0.298271830000000, 0.997639905000000 ] mass: 1.007940 reduced_to: 67 - symbol: H # 71 coordinates: [ 0.333333333333333, 0.298271830000000, 0.997639905000000 ] mass: 1.007940 reduced_to: 67 - symbol: H # 72 coordinates: [ 0.666666666666667, 0.298271830000000, 0.997639905000000 ] mass: 1.007940 reduced_to: 67 - symbol: H # 73 coordinates: [ 0.166666666666667, 0.428189050000000, 0.411763385000000 ] mass: 1.007940 reduced_to: 73 - symbol: H # 74 coordinates: [ 0.500000000000000, 0.428189050000000, 0.411763385000000 ] mass: 1.007940 reduced_to: 73 - symbol: H # 75 coordinates: [ 0.833333333333333, 0.428189050000000, 0.411763385000000 ] mass: 1.007940 reduced_to: 73 - symbol: H # 76 coordinates: [ 0.166666666666667, 0.428189050000000, 0.911763385000000 ] mass: 1.007940 reduced_to: 73 - symbol: H # 77 coordinates: [ 0.500000000000000, 0.428189050000000, 0.911763385000000 ] mass: 1.007940 reduced_to: 73 - symbol: H # 78 coordinates: [ 0.833333333333333, 0.428189050000000, 0.911763385000000 ] mass: 1.007940 reduced_to: 73 - symbol: H # 79 coordinates: [ 0.000000000000000, 0.071810950000000, 0.161763385000000 ] mass: 1.007940 reduced_to: 79 - symbol: H # 80 coordinates: [ 0.333333333333333, 0.071810950000000, 0.161763385000000 ] mass: 1.007940 reduced_to: 79 - symbol: H # 81 coordinates: [ 0.666666666666667, 0.071810950000000, 0.161763385000000 ] mass: 1.007940 reduced_to: 79 - symbol: H # 82 coordinates: [ 0.000000000000000, 0.071810950000000, 0.661763385000000 ] mass: 1.007940 reduced_to: 79 - symbol: H # 83 coordinates: [ 0.333333333333333, 0.071810950000000, 0.661763385000000 ] mass: 1.007940 reduced_to: 79 - symbol: H # 84 coordinates: [ 0.666666666666667, 0.071810950000000, 0.661763385000000 ] mass: 1.007940 reduced_to: 79 - symbol: H # 85 coordinates: [ 0.000000000000000, 0.458362800000000, 0.067797570000000 ] mass: 1.007940 reduced_to: 85 - symbol: H # 86 coordinates: [ 0.333333333333333, 0.458362800000000, 0.067797570000000 ] mass: 1.007940 reduced_to: 85 - symbol: H # 87 coordinates: [ 0.666666666666667, 0.458362800000000, 0.067797570000000 ] mass: 1.007940 reduced_to: 85 - symbol: H # 88 coordinates: [ 0.000000000000000, 0.458362800000000, 0.567797570000000 ] mass: 1.007940 reduced_to: 85 - symbol: H # 89 coordinates: [ 0.333333333333333, 0.458362800000000, 0.567797570000000 ] mass: 1.007940 reduced_to: 85 - symbol: H # 90 coordinates: [ 0.666666666666667, 0.458362800000000, 0.567797570000000 ] mass: 1.007940 reduced_to: 85 - symbol: H # 91 coordinates: [ 0.166666666666667, 0.041637200000000, 0.317797570000000 ] mass: 1.007940 reduced_to: 91 - symbol: H # 92 coordinates: [ 0.500000000000000, 0.041637200000000, 0.317797570000000 ] mass: 1.007940 reduced_to: 91 - symbol: H # 93 coordinates: [ 0.833333333333333, 0.041637200000000, 0.317797570000000 ] mass: 1.007940 reduced_to: 91 - symbol: H # 94 coordinates: [ 0.166666666666667, 0.041637200000000, 0.817797570000000 ] mass: 1.007940 reduced_to: 91 - symbol: H # 95 coordinates: [ 0.500000000000000, 0.041637200000000, 0.817797570000000 ] mass: 1.007940 reduced_to: 91 - symbol: H # 96 coordinates: [ 0.833333333333333, 0.041637200000000, 0.817797570000000 ] mass: 1.007940 reduced_to: 91 - symbol: H # 97 coordinates: [ 0.000000000000000, 0.668312960000000, 0.005432315000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 98 coordinates: [ 0.333333333333333, 0.668312960000000, 0.005432315000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 99 coordinates: [ 0.666666666666667, 0.668312960000000, 0.005432315000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 100 coordinates: [ 0.000000000000000, 0.668312960000000, 0.505432315000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 101 coordinates: [ 0.333333333333333, 0.668312960000000, 0.505432315000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 102 coordinates: [ 0.666666666666667, 0.668312960000000, 0.505432315000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 103 coordinates: [ 0.166666666666667, 0.831687040000000, 0.255432315000000 ] mass: 1.007940 reduced_to: 55 - symbol: H # 104 coordinates: [ 0.500000000000000, 0.831687040000000, 0.255432315000000 ] mass: 1.007940 reduced_to: 55 - symbol: H # 105 coordinates: [ 0.833333333333333, 0.831687040000000, 0.255432315000000 ] mass: 1.007940 reduced_to: 55 - symbol: H # 106 coordinates: [ 0.166666666666667, 0.831687040000000, 0.755432315000000 ] mass: 1.007940 reduced_to: 55 - symbol: H # 107 coordinates: [ 0.500000000000000, 0.831687040000000, 0.755432315000000 ] mass: 1.007940 reduced_to: 55 - symbol: H # 108 coordinates: [ 0.833333333333333, 0.831687040000000, 0.755432315000000 ] mass: 1.007940 reduced_to: 55 - symbol: H # 109 coordinates: [ 0.000000000000000, 0.701728170000000, 0.247639905000000 ] mass: 1.007940 reduced_to: 61 - symbol: H # 110 coordinates: [ 0.333333333333333, 0.701728170000000, 0.247639905000000 ] mass: 1.007940 reduced_to: 61 - symbol: H # 111 coordinates: [ 0.666666666666667, 0.701728170000000, 0.247639905000000 ] mass: 1.007940 reduced_to: 61 - symbol: H # 112 coordinates: [ 0.000000000000000, 0.701728170000000, 0.747639905000000 ] mass: 1.007940 reduced_to: 61 - symbol: H # 113 coordinates: [ 0.333333333333333, 0.701728170000000, 0.747639905000000 ] mass: 1.007940 reduced_to: 61 - symbol: H # 114 coordinates: [ 0.666666666666667, 0.701728170000000, 0.747639905000000 ] mass: 1.007940 reduced_to: 61 - symbol: H # 115 coordinates: [ 0.166666666666667, 0.798271830000000, 0.497639905000000 ] mass: 1.007940 reduced_to: 67 - symbol: H # 116 coordinates: [ 0.500000000000000, 0.798271830000000, 0.497639905000000 ] mass: 1.007940 reduced_to: 67 - symbol: H # 117 coordinates: [ 0.833333333333333, 0.798271830000000, 0.497639905000000 ] mass: 1.007940 reduced_to: 67 - symbol: H # 118 coordinates: [ 0.166666666666667, 0.798271830000000, 0.997639905000000 ] mass: 1.007940 reduced_to: 67 - symbol: H # 119 coordinates: [ 0.500000000000000, 0.798271830000000, 0.997639905000000 ] mass: 1.007940 reduced_to: 67 - symbol: H # 120 coordinates: [ 0.833333333333333, 0.798271830000000, 0.997639905000000 ] mass: 1.007940 reduced_to: 67 - symbol: H # 121 coordinates: [ 0.000000000000000, 0.928189050000000, 0.411763385000000 ] mass: 1.007940 reduced_to: 73 - symbol: H # 122 coordinates: [ 0.333333333333333, 0.928189050000000, 0.411763385000000 ] mass: 1.007940 reduced_to: 73 - symbol: H # 123 coordinates: [ 0.666666666666667, 0.928189050000000, 0.411763385000000 ] mass: 1.007940 reduced_to: 73 - symbol: H # 124 coordinates: [ 0.000000000000000, 0.928189050000000, 0.911763385000000 ] mass: 1.007940 reduced_to: 73 - symbol: H # 125 coordinates: [ 0.333333333333333, 0.928189050000000, 0.911763385000000 ] mass: 1.007940 reduced_to: 73 - symbol: H # 126 coordinates: [ 0.666666666666667, 0.928189050000000, 0.911763385000000 ] mass: 1.007940 reduced_to: 73 - symbol: H # 127 coordinates: [ 0.166666666666667, 0.571810950000000, 0.161763385000000 ] mass: 1.007940 reduced_to: 79 - symbol: H # 128 coordinates: [ 0.500000000000000, 0.571810950000000, 0.161763385000000 ] mass: 1.007940 reduced_to: 79 - symbol: H # 129 coordinates: [ 0.833333333333333, 0.571810950000000, 0.161763385000000 ] mass: 1.007940 reduced_to: 79 - symbol: H # 130 coordinates: [ 0.166666666666667, 0.571810950000000, 0.661763385000000 ] mass: 1.007940 reduced_to: 79 - symbol: H # 131 coordinates: [ 0.500000000000000, 0.571810950000000, 0.661763385000000 ] mass: 1.007940 reduced_to: 79 - symbol: H # 132 coordinates: [ 0.833333333333333, 0.571810950000000, 0.661763385000000 ] mass: 1.007940 reduced_to: 79 - symbol: H # 133 coordinates: [ 0.166666666666667, 0.958362800000000, 0.067797570000000 ] mass: 1.007940 reduced_to: 85 - symbol: H # 134 coordinates: [ 0.500000000000000, 0.958362800000000, 0.067797570000000 ] mass: 1.007940 reduced_to: 85 - symbol: H # 135 coordinates: [ 0.833333333333333, 0.958362800000000, 0.067797570000000 ] mass: 1.007940 reduced_to: 85 - symbol: H # 136 coordinates: [ 0.166666666666667, 0.958362800000000, 0.567797570000000 ] mass: 1.007940 reduced_to: 85 - symbol: H # 137 coordinates: [ 0.500000000000000, 0.958362800000000, 0.567797570000000 ] mass: 1.007940 reduced_to: 85 - symbol: H # 138 coordinates: [ 0.833333333333333, 0.958362800000000, 0.567797570000000 ] mass: 1.007940 reduced_to: 85 - symbol: H # 139 coordinates: [ 0.000000000000000, 0.541637200000000, 0.317797570000000 ] mass: 1.007940 reduced_to: 91 - symbol: H # 140 coordinates: [ 0.333333333333333, 0.541637200000000, 0.317797570000000 ] mass: 1.007940 reduced_to: 91 - symbol: H # 141 coordinates: [ 0.666666666666667, 0.541637200000000, 0.317797570000000 ] mass: 1.007940 reduced_to: 91 - symbol: H # 142 coordinates: [ 0.000000000000000, 0.541637200000000, 0.817797570000000 ] mass: 1.007940 reduced_to: 91 - symbol: H # 143 coordinates: [ 0.333333333333333, 0.541637200000000, 0.817797570000000 ] mass: 1.007940 reduced_to: 91 - symbol: H # 144 coordinates: [ 0.666666666666667, 0.541637200000000, 0.817797570000000 ] mass: 1.007940 reduced_to: 91born_effective_charge:- # 1 (Sr) - [ 2.226579560000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.085735080000000, -0.053658840000000 ] - [ 0.000000000000000, -0.009470910000000, 2.006350450000000 ]- # 2 (Sr) - [ 2.226579560000000, 0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, 2.085735080000000, 0.053658840000000 ] - [ -0.000000000000000, 0.009470910000000, 2.006350450000000 ]- # 3 (Mg) - [ 1.751561470000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.619311460000000, -0.019427710000000 ] - [ -0.000000000000000, 0.042884380000000, 1.770290110000000 ]- # 4 (Mg) - [ 1.751561470000000, 0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, 1.619311460000000, 0.019427710000000 ] - [ 0.000000000000000, -0.042884380000000, 1.770290110000000 ]- # 5 (H) - [ -0.911271300000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -0.927529360000000, -0.017861080000000 ] - [ -0.000000000000000, 0.006878420000000, -1.014854760000000 ]- # 6 (H) - [ -0.911271300000000, 0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, -0.927529360000000, 0.017861080000000 ] - [ 0.000000000000000, -0.006878420000000, -1.014854760000000 ]- # 7 (H) - [ -0.925534920000000, 0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, -0.988632770000000, 0.000087040000000 ] - [ -0.000000000000000, 0.141720550000000, -0.930003800000000 ]- # 8 (H) - [ -0.925534920000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -0.988632770000000, -0.000087040000000 ] - [ 0.000000000000000, -0.141720550000000, -0.930003800000000 ]- # 9 (H) - [ -1.179911080000000, -0.000000000000000, -0.000000000000000 ] - [ -0.000000000000000, -0.823580200000000, 0.139156490000000 ] - [ -0.000000000000000, 0.053440010000000, -0.893822270000000 ]- # 10 (H) - [ -1.179911080000000, -0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -0.823580200000000, -0.139156490000000 ] - [ 0.000000000000000, -0.053440010000000, -0.893822270000000 ]- # 11 (H) - [ -0.961423730000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -0.965304220000000, -0.112659950000000 ] - [ 0.000000000000000, -0.057881820000000, -0.937959720000000 ]- # 12 (H) - [ -0.961423730000000, 0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, -0.965304220000000, 0.112659950000000 ] - [ -0.000000000000000, 0.057881820000000, -0.937959720000000 ]dielectric_constant: - [ 4.498022980000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 4.501076620000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 4.342181070000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0695703300000000, -0.0001748100000000, 0.0004547200000000 ] - [ 0.0102615200000000, -0.0001434600000000, 0.0005901000000000 ] - [ 0.0101460000000000, 0.0001028200000000, 0.0001520400000000 ] - [ -0.0015847300000000, -0.0000241500000000, 0.0003718900000000 ] - [ 0.0008400500000000, -0.0000211200000000, 0.0002328800000000 ] - [ 0.0008389300000000, -0.0000260800000000, 0.0005152100000000 ] - [ -0.0001339200000000, 0.0031826300000000, -0.0014446800000000 ] - [ -0.0001347300000000, -0.0031384300000000, 0.0022070500000000 ] - [ 0.0012601600000000, 0.0000238500000000, 0.0003750500000000 ] - [ -0.0001363300000000, 0.0025074400000000, 0.0025288200000000 ] - [ -0.0001322600000000, -0.0024619400000000, -0.0017920800000000 ] - [ 0.0012601900000000, 0.0000239200000000, 0.0003731500000000 ] - [ -0.0002680300000000, -0.0001870700000000, 0.0003403400000000 ] - [ -0.0002674100000000, 0.0001390300000000, 0.0004073300000000 ] - [ 0.0005643700000000, -0.0000241700000000, 0.0003738300000000 ] - [ -0.0001683200000000, -0.0000725000000000, 0.0003687400000000 ] - [ -0.0001682400000000, 0.0000255700000000, 0.0003797500000000 ] - [ 0.0003333000000000, -0.0000242100000000, 0.0003741900000000 ] - [ -0.0012521900000000, 0.0000235600000000, 0.0003758300000000 ] - [ 0.0007148100000000, 0.0005534300000000, 0.0007419000000000 ] - [ 0.0007103100000000, -0.0005056400000000, 0.0000071100000000 ] - [ -0.0012519800000000, 0.0000223900000000, 0.0003739500000000 ] - [ 0.0007126300000000, 0.0006661700000000, -0.0002441600000000 ] - [ 0.0007122600000000, -0.0006206100000000, 0.0009914700000000 ] - [ -0.0019618400000000, 0.0000580200000000, 0.0000462300000000 ] - [ 0.0005977300000000, -0.0008451600000000, 0.0002440300000000 ] - [ 0.0005946700000000, 0.0009326600000000, -0.0001531000000000 ] - [ -0.0004819900000000, 0.0000456800000000, 0.0000449100000000 ] - [ 0.0002326300000000, -0.0001451100000000, 0.0000122600000000 ] - [ 0.0002330900000000, 0.0002352900000000, 0.0000781600000000 ] - [ 0.0005693500000000, -0.0017612200000000, -0.0050198800000000 ] - [ 0.0005811000000000, 0.0016593100000000, 0.0051292900000000 ] - [ 0.0014128200000000, -0.0000434400000000, 0.0000466300000000 ] - [ 0.0021392300000000, -0.0034213600000000, 0.0086471200000000 ] - [ 0.0021758200000000, 0.0033528500000000, -0.0086207900000000 ] - [ 0.0018241400000000, -0.0000431900000000, 0.0000439700000000 ] - [ 0.0002041500000000, -0.0049597500000000, -0.0010041300000000 ] - [ 0.0002212000000000, 0.0050714000000000, 0.0010843800000000 ] - [ 0.0015278800000000, 0.0000449800000000, 0.0000457300000000 ] - [ -0.0001562300000000, -0.0002193900000000, 0.0000984700000000 ] - [ -0.0001555900000000, 0.0003073400000000, -0.0000066300000000 ] - [ 0.0003461900000000, 0.0000440100000000, 0.0000458200000000 ] - [ -0.0003321400000000, -0.0000433800000000, 0.0000457500000000 ] - [ 0.0001581100000000, -0.0001745600000000, 0.0001697400000000 ] - [ 0.0001584800000000, 0.0000863900000000, -0.0000778800000000 ] - [ -0.0002719200000000, -0.0000434800000000, 0.0000446700000000 ] - [ 0.0001371000000000, -0.0001655200000000, -0.0000429500000000 ] - [ 0.0001371400000000, 0.0000771700000000, 0.0001330700000000 ] - [ 0.0032490800000000, 0.0002654900000000, -0.0003542700000000 ] - [ -0.0007255000000000, 0.0010094100000000, -0.0001916500000000 ] - [ -0.0007246900000000, -0.0004962700000000, -0.0005128200000000 ] - [ 0.0004659300000000, 0.0002558400000000, -0.0003524000000000 ] - [ -0.0002215300000000, 0.0003934900000000, -0.0003589200000000 ] - [ -0.0002225100000000, 0.0001196300000000, -0.0003470900000000 ] - [ 0.0064955000000000, -0.0002758200000000, -0.0029399400000000 ] - [ 0.0067922200000000, -0.0002531600000000, 0.0024661400000000 ] - [ -0.0012086400000000, -0.0002572800000000, -0.0003545900000000 ] - [ 0.0004166600000000, -0.0001568200000000, -0.0015214400000000 ] - [ 0.0004156900000000, -0.0003564600000000, 0.0008178900000000 ] - [ -0.0005283700000000, -0.0002572700000000, -0.0003532000000000 ] - [ 0.0039961500000000, -0.0000236500000000, 0.0001356100000000 ] - [ -0.0008510500000000, 0.0006774900000000, -0.0000791400000000 ] - [ -0.0008491200000000, -0.0007852800000000, 0.0003543000000000 ] - [ 0.0006018000000000, -0.0000542400000000, 0.0001394000000000 ] - [ -0.0002813800000000, 0.0000867700000000, 0.0002523400000000 ] - [ -0.0002814600000000, -0.0001946100000000, 0.0000269000000000 ] - [ 0.0002797200000000, -0.0001532700000000, 0.0012877200000000 ] - [ 0.0002798400000000, 0.0002599100000000, -0.0010056400000000 ] - [ -0.0004065700000000, 0.0000534300000000, 0.0001391200000000 ] - [ 0.0044764500000000, 0.0000691100000000, 0.0014054500000000 ] - [ 0.0047181500000000, -0.0000063400000000, -0.0013074000000000 ] - [ -0.0012576800000000, 0.0000535700000000, 0.0001414800000000 ] - [ 0.0024004100000000, -0.0001677500000000, -0.0001464100000000 ] - [ -0.0009518000000000, -0.0005141600000000, -0.0007533300000000 ] - [ -0.0009537500000000, 0.0001775600000000, 0.0004590100000000 ] - [ 0.0061246700000000, -0.0001698300000000, -0.0001307500000000 ] - [ -0.0012118300000000, -0.0003882700000000, 0.0004517700000000 ] - [ -0.0012198800000000, 0.0000509900000000, -0.0007522600000000 ] - [ 0.0002800900000000, -0.0004037200000000, -0.0001693700000000 ] - [ 0.0002811000000000, 0.0007474900000000, -0.0001288000000000 ] - [ -0.0006334400000000, 0.0001697600000000, -0.0001485200000000 ] - [ 0.0001386300000000, 0.0000830000000000, -0.0003742000000000 ] - [ 0.0001390000000000, 0.0002555900000000, 0.0000781900000000 ] - [ -0.0002993800000000, 0.0001693600000000, -0.0001483200000000 ] - [ 0.0039095600000000, -0.0003021900000000, 0.0000335900000000 ] - [ 0.0041396200000000, 0.0003121500000000, -0.0002200000000000 ] - [ -0.0012065400000000, -0.0000675400000000, -0.0000560700000000 ] - [ 0.0002599100000000, 0.0000548800000000, 0.0001671700000000 ] - [ 0.0002598300000000, -0.0001854100000000, -0.0002831300000000 ] - [ -0.0005440400000000, -0.0000653700000000, -0.0000574200000000 ] - [ 0.0004348800000000, 0.0000639900000000, -0.0000578400000000 ] - [ -0.0002510800000000, 0.0003657100000000, -0.0002646800000000 ] - [ -0.0002506700000000, -0.0002343100000000, 0.0001481500000000 ] - [ 0.0003847200000000, 0.0000648400000000, -0.0000577800000000 ] - [ -0.0001956800000000, 0.0002164500000000, 0.0000403100000000 ] - [ -0.0001956800000000, -0.0000857200000000, -0.0001548600000000 ] - [ 0.0002944800000000, 0.0012515600000000, -0.0004835400000000 ] - [ 0.0002947100000000, -0.0007379200000000, -0.0002218500000000 ] - [ -0.0003768800000000, 0.0002565800000000, -0.0003529200000000 ] - [ 0.0001032400000000, 0.0004724700000000, -0.0002600000000000 ] - [ 0.0001028600000000, 0.0000402100000000, -0.0004478900000000 ] - [ -0.0002235800000000, 0.0002568700000000, -0.0003534700000000 ] - [ 0.0002138200000000, -0.0002574100000000, -0.0003532500000000 ] - [ -0.0001129800000000, -0.0002419700000000, -0.0003433000000000 ] - [ -0.0001126700000000, -0.0002716400000000, -0.0003629900000000 ] - [ 0.0001389800000000, -0.0002567500000000, -0.0003529700000000 ] - [ -0.0000676000000000, -0.0002600300000000, -0.0002988800000000 ] - [ -0.0000675500000000, -0.0002532300000000, -0.0004072100000000 ] - [ 0.0002501400000000, 0.0003814500000000, 0.0002037100000000 ] - [ 0.0002494300000000, -0.0004910700000000, 0.0000753900000000 ] - [ -0.0004823600000000, -0.0000535500000000, 0.0001398300000000 ] - [ 0.0001053600000000, 0.0000403200000000, 0.0000690000000000 ] - [ 0.0001053200000000, -0.0001474900000000, 0.0002097500000000 ] - [ -0.0001981400000000, -0.0000533300000000, 0.0001394300000000 ] - [ 0.0001757800000000, 0.0000531600000000, 0.0001392900000000 ] - [ -0.0000864900000000, 0.0000017700000000, 0.0000894500000000 ] - [ -0.0000864400000000, 0.0001051800000000, 0.0001892000000000 ] - [ 0.0003953400000000, 0.0000532000000000, 0.0001400800000000 ] - [ -0.0001813700000000, -0.0000225800000000, 0.0001977500000000 ] - [ -0.0001813600000000, 0.0001303300000000, 0.0000815900000000 ] - [ 0.0001297200000000, -0.0003124000000000, -0.0001286900000000 ] - [ 0.0001300000000000, -0.0000274500000000, -0.0001679400000000 ] - [ -0.0002867000000000, -0.0001696300000000, -0.0001484000000000 ] - [ 0.0001302300000000, -0.0002543800000000, -0.0001842100000000 ] - [ 0.0001302100000000, -0.0000851200000000, -0.0001115600000000 ] - [ -0.0002670500000000, -0.0001696200000000, -0.0001480300000000 ] - [ 0.0035622200000000, 0.0001621400000000, -0.0001539900000000 ] - [ -0.0011387700000000, -0.0004981600000000, -0.0005749500000000 ] - [ -0.0011396500000000, 0.0008390700000000, 0.0002790000000000 ] - [ 0.0004541800000000, 0.0001697200000000, -0.0001483500000000 ] - [ -0.0002086200000000, 0.0001140700000000, -0.0001158200000000 ] - [ -0.0002082800000000, 0.0002256700000000, -0.0001816000000000 ] - [ 0.0003961700000000, -0.0000654800000000, -0.0000572200000000 ] - [ -0.0001909900000000, 0.0001345100000000, -0.0000940400000000 ] - [ -0.0001900900000000, -0.0002647500000000, -0.0000206900000000 ] - [ 0.0001825600000000, -0.0000659700000000, -0.0000576100000000 ] - [ -0.0000863800000000, -0.0000173400000000, -0.0000783100000000 ] - [ -0.0000865000000000, -0.0001140000000000, -0.0000370300000000 ] - [ -0.0000517100000000, 0.0013187200000000, 0.0010423500000000 ] - [ -0.0000559000000000, -0.0011964600000000, -0.0011695500000000 ] - [ -0.0005751900000000, 0.0000657300000000, -0.0000577800000000 ] - [ 0.0005127600000000, 0.0002726100000000, -0.0004644000000000 ] - [ 0.0005137800000000, -0.0001410100000000, 0.0003488900000000 ] - [ -0.0005525300000000, 0.0000661000000000, -0.0000578900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0435665100000000, 0.0165291400000000 ] - [ 0.0001145300000000, -0.0019245100000000, 0.0008608900000000 ] - [ -0.0001145300000000, -0.0019245100000000, 0.0008608900000000 ] - [ 0.0000000000000000, -0.0014354900000000, -0.0002913600000000 ] - [ -0.0000032300000000, -0.0005842500000000, 0.0001808700000000 ] - [ 0.0000032300000000, -0.0005842500000000, 0.0001808700000000 ] - [ 0.0024849200000000, 0.0007232900000000, -0.0020115200000000 ] - [ -0.0024849200000000, 0.0007232900000000, -0.0020115200000000 ] - [ 0.0000000000000000, -0.0002492900000000, 0.0002511800000000 ] - [ 0.0031512600000000, 0.0007186400000000, 0.0029787000000000 ] - [ -0.0031512600000000, 0.0007186400000000, 0.0029787000000000 ] - [ 0.0000000000000000, -0.0002494800000000, 0.0003896300000000 ] - [ 0.0001620500000000, 0.0019200300000000, 0.0002008800000000 ] - [ -0.0001620500000000, 0.0019200300000000, 0.0002008800000000 ] - [ 0.0000000000000000, 0.0006120700000000, 0.0002791000000000 ] - [ 0.0000486500000000, 0.0007254100000000, 0.0004530600000000 ] - [ -0.0000486500000000, 0.0007254100000000, 0.0004530600000000 ] - [ 0.0000000000000000, 0.0004243800000000, 0.0003839000000000 ] - [ 0.0000000000000000, 0.0017555800000000, 0.0024679300000000 ] - [ 0.0006461700000000, 0.0004882900000000, 0.0008122400000000 ] - [ -0.0006461700000000, 0.0004882900000000, 0.0008122400000000 ] - [ 0.0000000000000000, 0.0017483600000000, -0.0013314500000000 ] - [ 0.0005287600000000, 0.0004863700000000, 0.0000282700000000 ] - [ -0.0005287600000000, 0.0004863700000000, 0.0000282700000000 ] - [ 0.0000000000000000, 0.0109787000000000, -0.0027442100000000 ] - [ -0.0011812900000000, 0.0000259100000000, 0.0002145800000000 ] - [ 0.0011812900000000, 0.0000259100000000, 0.0002145800000000 ] - [ 0.0000000000000000, 0.0002606300000000, 0.0001994700000000 ] - [ -0.0001841400000000, 0.0001540300000000, 0.0000675100000000 ] - [ 0.0001841400000000, 0.0001540300000000, 0.0000675100000000 ] - [ -0.0014109400000000, -0.0019750900000000, 0.0011161300000000 ] - [ 0.0014109400000000, -0.0019750900000000, 0.0011161300000000 ] - [ 0.0000000000000000, -0.0004062200000000, 0.0000957500000000 ] - [ -0.0033964600000000, -0.0020229000000000, -0.0034982700000000 ] - [ 0.0033964600000000, -0.0020229000000000, -0.0034982700000000 ] - [ 0.0000000000000000, -0.0003006700000000, -0.0000549100000000 ] - [ -0.0054065900000000, 0.0042641300000000, 0.0001500400000000 ] - [ 0.0054065900000000, 0.0042641300000000, 0.0001500400000000 ] - [ 0.0000000000000000, 0.0000633200000000, -0.0000682300000000 ] - [ -0.0001879900000000, 0.0000705300000000, -0.0000648500000000 ] - [ 0.0001879900000000, 0.0000705300000000, -0.0000648500000000 ] - [ 0.0000000000000000, -0.0000082200000000, 0.0000195100000000 ] - [ 0.0000000000000000, 0.0011883700000000, -0.0001741100000000 ] - [ -0.0001252400000000, 0.0005339100000000, 0.0000149500000000 ] - [ 0.0001252400000000, 0.0005339100000000, 0.0000149500000000 ] - [ 0.0000000000000000, 0.0014123900000000, 0.0004857000000000 ] - [ -0.0001363100000000, 0.0003906600000000, 0.0001383500000000 ] - [ 0.0001363100000000, 0.0003906600000000, 0.0001383500000000 ] - [ 0.0000000000000000, -0.0015552200000000, -0.0037099200000000 ] - [ 0.0002593000000000, 0.0005073500000000, -0.0004023300000000 ] - [ -0.0002593000000000, 0.0005073500000000, -0.0004023300000000 ] - [ 0.0000000000000000, 0.0002024900000000, 0.0001409500000000 ] - [ 0.0002453500000000, 0.0004063500000000, -0.0001401000000000 ] - [ -0.0002453500000000, 0.0004063500000000, -0.0001401000000000 ] - [ 0.0002047300000000, 0.0031302300000000, -0.0010654500000000 ] - [ -0.0002047300000000, 0.0031302300000000, -0.0010654500000000 ] - [ 0.0000000000000000, -0.0000357100000000, -0.0004287200000000 ] - [ 0.0003042100000000, 0.0004680900000000, -0.0003857200000000 ] - [ -0.0003042100000000, 0.0004680900000000, -0.0003857200000000 ] - [ 0.0000000000000000, 0.0000028500000000, -0.0002438400000000 ] - [ 0.0000000000000000, 0.0104290400000000, -0.0038346300000000 ] - [ 0.0003424100000000, 0.0002007800000000, 0.0001539700000000 ] - [ -0.0003424100000000, 0.0002007800000000, 0.0001539700000000 ] - [ 0.0000000000000000, 0.0001718400000000, -0.0003891400000000 ] - [ 0.0002677100000000, 0.0002076300000000, 0.0000256600000000 ] - [ -0.0002677100000000, 0.0002076300000000, 0.0000256600000000 ] - [ 0.0000528100000000, 0.0005433000000000, 0.0003141400000000 ] - [ -0.0000528100000000, 0.0005433000000000, 0.0003141400000000 ] - [ 0.0000000000000000, 0.0003090900000000, 0.0001215300000000 ] - [ 0.0024324800000000, 0.0043757400000000, 0.0015009900000000 ] - [ -0.0024324800000000, 0.0043757400000000, 0.0015009900000000 ] - [ 0.0000000000000000, 0.0003501100000000, 0.0000934100000000 ] - [ 0.0000000000000000, 0.0007328600000000, -0.0013203300000000 ] - [ -0.0000943600000000, 0.0002886900000000, -0.0001981400000000 ] - [ 0.0000943600000000, 0.0002886900000000, -0.0001981400000000 ] - [ 0.0000000000000000, 0.0030381600000000, 0.0005656500000000 ] - [ -0.0003538200000000, 0.0004204100000000, 0.0000420900000000 ] - [ 0.0003538200000000, 0.0004204100000000, 0.0000420900000000 ] - [ -0.0012460000000000, -0.0011321700000000, 0.0001094100000000 ] - [ 0.0012460000000000, -0.0011321700000000, 0.0001094100000000 ] - [ 0.0000000000000000, 0.0001509000000000, -0.0001739100000000 ] - [ -0.0002746800000000, 0.0000532800000000, -0.0003083600000000 ] - [ 0.0002746800000000, 0.0000532800000000, -0.0003083600000000 ] - [ 0.0000000000000000, 0.0001101800000000, -0.0001547000000000 ] - [ -0.0013639100000000, 0.0044215800000000, -0.0005363300000000 ] - [ 0.0013639100000000, 0.0044215800000000, -0.0005363300000000 ] - [ 0.0000000000000000, 0.0001829400000000, 0.0000354500000000 ] - [ 0.0001664100000000, 0.0002613100000000, -0.0001145600000000 ] - [ -0.0001664100000000, 0.0002613100000000, -0.0001145600000000 ] - [ 0.0000000000000000, 0.0000919800000000, -0.0000209600000000 ] - [ 0.0000000000000000, -0.0008209300000000, 0.0007539000000000 ] - [ 0.0003773600000000, -0.0001849200000000, 0.0001210700000000 ] - [ -0.0003773600000000, -0.0001849200000000, 0.0001210700000000 ] - [ 0.0000000000000000, -0.0003577300000000, -0.0008388500000000 ] - [ 0.0002046800000000, -0.0000929800000000, -0.0001333500000000 ] - [ -0.0002046800000000, -0.0000929800000000, -0.0001333500000000 ] - [ 0.0004673700000000, -0.0004860700000000, 0.0000487000000000 ] - [ -0.0004673700000000, -0.0004860700000000, 0.0000487000000000 ] - [ 0.0000000000000000, 0.0000964200000000, -0.0002741800000000 ] - [ 0.0001381700000000, 0.0000287800000000, -0.0006435200000000 ] - [ -0.0001381700000000, 0.0000287800000000, -0.0006435200000000 ] - [ 0.0000000000000000, 0.0001549800000000, -0.0004977900000000 ] - [ 0.0000000000000000, -0.0010316200000000, -0.0003154000000000 ] - [ -0.0000575500000000, -0.0006629300000000, -0.0003430700000000 ] - [ 0.0000575500000000, -0.0006629300000000, -0.0003430700000000 ] - [ 0.0000000000000000, -0.0007332400000000, -0.0003145600000000 ] - [ 0.0000072700000000, -0.0005008600000000, -0.0003621500000000 ] - [ -0.0000072700000000, -0.0005008600000000, -0.0003621500000000 ] - [ 0.0007489100000000, -0.0009357500000000, -0.0003219400000000 ] - [ -0.0007489100000000, -0.0009357500000000, -0.0003219400000000 ] - [ 0.0000000000000000, -0.0002687700000000, 0.0000904200000000 ] - [ 0.0000811800000000, -0.0003676000000000, 0.0001862300000000 ] - [ -0.0000811800000000, -0.0003676000000000, 0.0001862300000000 ] - [ 0.0000000000000000, -0.0002140700000000, 0.0001752800000000 ] - [ 0.0000000000000000, -0.0005277600000000, 0.0000688000000000 ] - [ 0.0000028700000000, -0.0002481400000000, 0.0001259700000000 ] - [ -0.0000028700000000, -0.0002481400000000, 0.0001259700000000 ] - [ 0.0000000000000000, -0.0009244800000000, 0.0002223100000000 ] - [ -0.0000520200000000, -0.0003503300000000, 0.0001670000000000 ] - [ 0.0000520200000000, -0.0003503300000000, 0.0001670000000000 ] - [ -0.0002044600000000, -0.0006178500000000, 0.0000079000000000 ] - [ 0.0002044600000000, -0.0006178500000000, 0.0000079000000000 ] - [ 0.0000000000000000, -0.0004222100000000, -0.0000929100000000 ] - [ -0.0001657900000000, -0.0005841900000000, -0.0001795700000000 ] - [ 0.0001657900000000, -0.0005841900000000, -0.0001795700000000 ] - [ 0.0000000000000000, -0.0003825800000000, -0.0001567800000000 ] - [ 0.0000000000000000, -0.0043199100000000, -0.0013846400000000 ] - [ -0.0007061800000000, -0.0000172400000000, -0.0003576900000000 ] - [ 0.0007061800000000, -0.0000172400000000, -0.0003576900000000 ] - [ 0.0000000000000000, 0.0001155200000000, 0.0000224100000000 ] - [ -0.0001338000000000, 0.0001852300000000, -0.0001063800000000 ] - [ 0.0001338000000000, 0.0001852300000000, -0.0001063800000000 ] - [ 0.0000000000000000, -0.0017043800000000, 0.0000344000000000 ] - [ 0.0002763100000000, -0.0004439800000000, -0.0002529900000000 ] - [ -0.0002763100000000, -0.0004439800000000, -0.0002529900000000 ] - [ 0.0000000000000000, -0.0004761500000000, -0.0000202600000000 ] - [ 0.0000649000000000, -0.0002683300000000, -0.0000692300000000 ] - [ -0.0000649000000000, -0.0002683300000000, -0.0000692300000000 ] - [ 0.0010134600000000, 0.0000166100000000, -0.0011150900000000 ] - [ -0.0010134600000000, 0.0000166100000000, -0.0011150900000000 ] - [ 0.0000000000000000, 0.0001686100000000, -0.0001914200000000 ] - [ 0.0003367900000000, -0.0000537700000000, 0.0003902400000000 ] - [ -0.0003367900000000, -0.0000537700000000, 0.0003902400000000 ] - [ 0.0000000000000000, 0.0001134400000000, 0.0000029500000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0439061300000000, -0.0158655600000000 ] - [ -0.0001319100000000, 0.0018811700000000, -0.0001115900000000 ] - [ 0.0001319100000000, 0.0018811700000000, -0.0001115900000000 ] - [ 0.0000000000000000, 0.0013930700000000, 0.0010394800000000 ] - [ 0.0000017500000000, 0.0005381400000000, 0.0005673600000000 ] - [ -0.0000017500000000, 0.0005381400000000, 0.0005673600000000 ] - [ -0.0024843600000000, -0.0006763000000000, 0.0027760000000000 ] - [ 0.0024843600000000, -0.0006763000000000, 0.0027760000000000 ] - [ 0.0000000000000000, 0.0002992600000000, 0.0004975600000000 ] - [ -0.0031697800000000, -0.0006809500000000, -0.0022548600000000 ] - [ 0.0031697800000000, -0.0006809500000000, -0.0022548600000000 ] - [ 0.0000000000000000, 0.0002990100000000, 0.0003582000000000 ] - [ -0.0001640100000000, -0.0019720200000000, 0.0005477100000000 ] - [ 0.0001640100000000, -0.0019720200000000, 0.0005477100000000 ] - [ 0.0000000000000000, -0.0006611300000000, 0.0004696400000000 ] - [ -0.0000492200000000, -0.0007730400000000, 0.0002956700000000 ] - [ 0.0000492200000000, -0.0007730400000000, 0.0002956700000000 ] - [ 0.0000000000000000, -0.0004727600000000, 0.0003648900000000 ] - [ 0.0000000000000000, -0.0016953500000000, -0.0017015000000000 ] - [ -0.0006406700000000, -0.0004408400000000, -0.0000622600000000 ] - [ 0.0006406700000000, -0.0004408400000000, -0.0000622600000000 ] - [ 0.0000000000000000, -0.0017025300000000, 0.0020641700000000 ] - [ -0.0005303400000000, -0.0004427200000000, 0.0007198800000000 ] - [ 0.0005303400000000, -0.0004427200000000, 0.0007198800000000 ] - [ 0.0000000000000000, -0.0110820300000000, 0.0028753100000000 ] - [ 0.0011927200000000, 0.0000673300000000, -0.0001240400000000 ] - [ -0.0011927200000000, 0.0000673300000000, -0.0001240400000000 ] - [ 0.0000000000000000, -0.0001711200000000, -0.0001118900000000 ] - [ 0.0001842900000000, -0.0000632100000000, 0.0000220500000000 ] - [ -0.0001842900000000, -0.0000632100000000, 0.0000220500000000 ] - [ 0.0014221400000000, 0.0018648400000000, -0.0010313800000000 ] - [ -0.0014221400000000, 0.0018648400000000, -0.0010313800000000 ] - [ 0.0000000000000000, 0.0003171400000000, -0.0000048700000000 ] - [ 0.0034118400000000, 0.0019182000000000, 0.0035966900000000 ] - [ -0.0034118400000000, 0.0019182000000000, 0.0035966900000000 ] - [ 0.0000000000000000, 0.0002119800000000, 0.0001465300000000 ] - [ 0.0053344200000000, -0.0041196200000000, -0.0000685000000000 ] - [ -0.0053344200000000, -0.0041196200000000, -0.0000685000000000 ] - [ 0.0000000000000000, 0.0000247400000000, 0.0001582700000000 ] - [ 0.0001882900000000, 0.0000155800000000, 0.0001590300000000 ] - [ -0.0001882900000000, 0.0000155800000000, 0.0001590300000000 ] - [ 0.0000000000000000, 0.0000960800000000, 0.0000717900000000 ] - [ 0.0000000000000000, -0.0012722200000000, 0.0002637900000000 ] - [ 0.0001245200000000, -0.0006233600000000, 0.0000774100000000 ] - [ -0.0001245200000000, -0.0006233600000000, 0.0000774100000000 ] - [ 0.0000000000000000, -0.0015019200000000, -0.0003987200000000 ] - [ 0.0001368400000000, -0.0004802100000000, -0.0000493400000000 ] - [ -0.0001368400000000, -0.0004802100000000, -0.0000493400000000 ] - [ 0.0000000000000000, 0.0019105500000000, 0.0029868800000000 ] - [ -0.0002608200000000, 0.0000035900000000, -0.0003031700000000 ] - [ 0.0002608200000000, 0.0000035900000000, -0.0003031700000000 ] - [ 0.0000000000000000, 0.0003098900000000, -0.0008467800000000 ] - [ -0.0002448400000000, 0.0001057600000000, -0.0005659300000000 ] - [ 0.0002448400000000, 0.0001057600000000, -0.0005659300000000 ] - [ -0.0001820600000000, -0.0036435500000000, 0.0003485400000000 ] - [ 0.0001820600000000, -0.0036435500000000, 0.0003485400000000 ] - [ 0.0000000000000000, -0.0004780600000000, -0.0002762500000000 ] - [ -0.0003049100000000, -0.0009837000000000, -0.0003206500000000 ] - [ 0.0003049100000000, -0.0009837000000000, -0.0003206500000000 ] - [ 0.0000000000000000, -0.0005172700000000, -0.0004623600000000 ] - [ 0.0000000000000000, -0.0109363800000000, 0.0043873500000000 ] - [ -0.0003417600000000, -0.0003118100000000, 0.0001230000000000 ] - [ 0.0003417600000000, -0.0003118100000000, 0.0001230000000000 ] - [ 0.0000000000000000, -0.0002797400000000, 0.0006738200000000 ] - [ -0.0002683400000000, -0.0003166700000000, 0.0002538500000000 ] - [ 0.0002683400000000, -0.0003166700000000, 0.0002538500000000 ] - [ -0.0000534000000000, -0.0004381300000000, -0.0000308400000000 ] - [ 0.0000534000000000, -0.0004381300000000, -0.0000308400000000 ] - [ 0.0000000000000000, -0.0002024700000000, 0.0001572500000000 ] - [ -0.0024325100000000, -0.0042547600000000, -0.0012250900000000 ] - [ 0.0024325100000000, -0.0042547600000000, -0.0012250900000000 ] - [ 0.0000000000000000, -0.0002446000000000, 0.0001855300000000 ] - [ 0.0000000000000000, -0.0010565400000000, 0.0010350200000000 ] - [ 0.0000953100000000, -0.0006245800000000, -0.0000971500000000 ] - [ -0.0000953100000000, -0.0006245800000000, -0.0000971500000000 ] - [ 0.0000000000000000, -0.0033303200000000, -0.0009258300000000 ] - [ 0.0003558200000000, -0.0007596900000000, -0.0003395600000000 ] - [ -0.0003558200000000, -0.0007596900000000, -0.0003395600000000 ] - [ 0.0012567900000000, 0.0014886500000000, -0.0004113800000000 ] - [ -0.0012567900000000, 0.0014886500000000, -0.0004113800000000 ] - [ 0.0000000000000000, 0.0001864300000000, -0.0001232400000000 ] - [ 0.0002755000000000, 0.0002855000000000, 0.0000129100000000 ] - [ -0.0002755000000000, 0.0002855000000000, 0.0000129100000000 ] - [ 0.0000000000000000, 0.0002282100000000, -0.0001419300000000 ] - [ 0.0012539400000000, -0.0044666700000000, 0.0003897000000000 ] - [ -0.0012539400000000, -0.0044666700000000, 0.0003897000000000 ] - [ 0.0000000000000000, -0.0003128800000000, -0.0001504100000000 ] - [ -0.0001680800000000, -0.0003908200000000, -0.0000002600000000 ] - [ 0.0001680800000000, -0.0003908200000000, -0.0000002600000000 ] - [ 0.0000000000000000, -0.0002224400000000, -0.0000939500000000 ] - [ 0.0000000000000000, 0.0009375400000000, -0.0008667300000000 ] - [ -0.0003798600000000, 0.0003155400000000, -0.0002389900000000 ] - [ 0.0003798600000000, 0.0003155400000000, -0.0002389900000000 ] - [ 0.0000000000000000, 0.0004873400000000, 0.0007252800000000 ] - [ -0.0002057200000000, 0.0002237300000000, 0.0000192900000000 ] - [ 0.0002057200000000, 0.0002237300000000, 0.0000192900000000 ] - [ -0.0004653600000000, 0.0010057000000000, -0.0007536000000000 ] - [ 0.0004653600000000, 0.0010057000000000, -0.0007536000000000 ] - [ 0.0000000000000000, 0.0004179100000000, -0.0004315700000000 ] - [ -0.0001375700000000, 0.0004841900000000, -0.0000658000000000 ] - [ 0.0001375700000000, 0.0004841900000000, -0.0000658000000000 ] - [ 0.0000000000000000, 0.0003590200000000, -0.0002096800000000 ] - [ 0.0000000000000000, 0.0005149400000000, -0.0003916000000000 ] - [ 0.0000569500000000, 0.0001496200000000, -0.0003633700000000 ] - [ -0.0000569500000000, 0.0001496200000000, -0.0003633700000000 ] - [ 0.0000000000000000, 0.0002205000000000, -0.0003906800000000 ] - [ -0.0000072500000000, -0.0000116900000000, -0.0003437600000000 ] - [ 0.0000072500000000, -0.0000116900000000, -0.0003437600000000 ] - [ -0.0007462400000000, 0.0008273200000000, 0.0005979400000000 ] - [ 0.0007462400000000, 0.0008273200000000, 0.0005979400000000 ] - [ 0.0000000000000000, 0.0001625900000000, 0.0001894100000000 ] - [ -0.0000812700000000, 0.0002623800000000, 0.0000915600000000 ] - [ 0.0000812700000000, 0.0002623800000000, 0.0000915600000000 ] - [ 0.0000000000000000, 0.0001075600000000, 0.0001035200000000 ] - [ 0.0000000000000000, 0.0006325700000000, 0.0002095800000000 ] - [ -0.0000028000000000, 0.0003551700000000, 0.0001526200000000 ] - [ 0.0000028000000000, 0.0003551700000000, 0.0001526200000000 ] - [ 0.0000000000000000, 0.0010314700000000, 0.0000596700000000 ] - [ 0.0000518100000000, 0.0004594700000000, 0.0001124300000000 ] - [ -0.0000518100000000, 0.0004594700000000, 0.0001124300000000 ] - [ 0.0002033900000000, 0.0002770400000000, -0.0003045000000000 ] - [ -0.0002033900000000, 0.0002770400000000, -0.0003045000000000 ] - [ 0.0000000000000000, 0.0000832900000000, -0.0002041700000000 ] - [ 0.0001664400000000, 0.0002454900000000, -0.0001156800000000 ] - [ -0.0001664400000000, 0.0002454900000000, -0.0001156800000000 ] - [ 0.0000000000000000, 0.0000437900000000, -0.0001390700000000 ] - [ 0.0000000000000000, 0.0046972100000000, 0.0010719900000000 ] - [ 0.0007062800000000, 0.0003597500000000, 0.0000626900000000 ] - [ -0.0007062800000000, 0.0003597500000000, 0.0000626900000000 ] - [ 0.0000000000000000, 0.0002252200000000, -0.0003202300000000 ] - [ 0.0001342200000000, 0.0001549300000000, -0.0001912900000000 ] - [ -0.0001342200000000, 0.0001549300000000, -0.0001912900000000 ] - [ 0.0000000000000000, 0.0015765700000000, -0.0001484100000000 ] - [ -0.0002794800000000, 0.0003149400000000, 0.0001395100000000 ] - [ 0.0002794800000000, 0.0003149400000000, 0.0001395100000000 ] - [ 0.0000000000000000, 0.0003443100000000, -0.0000943100000000 ] - [ -0.0000649500000000, 0.0001371900000000, -0.0000460600000000 ] - [ 0.0000649500000000, 0.0001371900000000, -0.0000460600000000 ] - [ -0.0009995200000000, 0.0001108800000000, 0.0009845700000000 ] - [ 0.0009995200000000, 0.0001108800000000, 0.0009845700000000 ] - [ 0.0000000000000000, -0.0000367500000000, 0.0000764200000000 ] - [ -0.0003408200000000, 0.0001891900000000, -0.0005078700000000 ] - [ 0.0003408200000000, 0.0001891900000000, -0.0005078700000000 ] - [ 0.0000000000000000, 0.0000182900000000, -0.0001186100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0162123100000000, -0.0570070700000000 ] - [ -0.0002278100000000, 0.0004628500000000, -0.0021424400000000 ] - [ 0.0002278100000000, 0.0004628500000000, -0.0021424400000000 ] - [ 0.0000000000000000, -0.0006909700000000, 0.0039617100000000 ] - [ 0.0001446500000000, -0.0002175800000000, 0.0014504100000000 ] - [ -0.0001446500000000, -0.0002175800000000, 0.0014504100000000 ] - [ -0.0021669000000000, -0.0026053600000000, 0.0024752000000000 ] - [ 0.0021669000000000, -0.0026053600000000, 0.0024752000000000 ] - [ 0.0000000000000000, 0.0000077200000000, 0.0004827500000000 ] - [ 0.0018154200000000, 0.0024082600000000, 0.0024689800000000 ] - [ -0.0018154200000000, 0.0024082600000000, 0.0024689800000000 ] - [ 0.0000000000000000, 0.0001473500000000, 0.0004843200000000 ] - [ 0.0000337700000000, -0.0001979400000000, -0.0001492000000000 ] - [ -0.0000337700000000, -0.0001979400000000, -0.0001492000000000 ] - [ 0.0000000000000000, -0.0001189600000000, 0.0001572200000000 ] - [ 0.0000053800000000, 0.0000552200000000, 0.0008163300000000 ] - [ -0.0000053800000000, 0.0000552200000000, 0.0008163300000000 ] - [ 0.0000000000000000, -0.0000144600000000, 0.0006122600000000 ] - [ 0.0000000000000000, 0.0017313400000000, 0.0005465000000000 ] - [ 0.0006204400000000, 0.0003710200000000, 0.0004484500000000 ] - [ -0.0006204400000000, 0.0003710200000000, 0.0004484500000000 ] - [ 0.0000000000000000, -0.0020630600000000, 0.0005505300000000 ] - [ -0.0003686000000000, -0.0004147000000000, 0.0004495700000000 ] - [ 0.0003686000000000, -0.0004147000000000, 0.0004495700000000 ] - [ 0.0000000000000000, -0.0016006000000000, -0.0037875200000000 ] - [ 0.0001422700000000, 0.0001162000000000, -0.0007055700000000 ] - [ -0.0001422700000000, 0.0001162000000000, -0.0007055700000000 ] - [ 0.0000000000000000, 0.0001287800000000, 0.0011347800000000 ] - [ -0.0000705100000000, 0.0000410000000000, 0.0005362500000000 ] - [ 0.0000705100000000, 0.0000410000000000, 0.0005362500000000 ] - [ -0.0053364200000000, 0.0011880800000000, 0.0046627900000000 ] - [ 0.0053364200000000, 0.0011880800000000, 0.0046627900000000 ] - [ 0.0000000000000000, -0.0000936300000000, -0.0001310500000000 ] - [ 0.0085481100000000, -0.0034781400000000, 0.0070905700000000 ] - [ -0.0085481100000000, -0.0034781400000000, 0.0070905700000000 ] - [ 0.0000000000000000, 0.0000484000000000, 0.0001628600000000 ] - [ -0.0007257600000000, -0.0002221300000000, -0.0022356000000000 ] - [ 0.0007257600000000, -0.0002221300000000, -0.0022356000000000 ] - [ 0.0000000000000000, -0.0000708100000000, -0.0002126700000000 ] - [ 0.0000148400000000, 0.0003485500000000, 0.0011741800000000 ] - [ -0.0000148400000000, 0.0003485500000000, 0.0011741800000000 ] - [ 0.0000000000000000, 0.0001331200000000, 0.0003876900000000 ] - [ 0.0000000000000000, -0.0004423900000000, 0.0003154800000000 ] - [ 0.0001351100000000, -0.0001338400000000, 0.0001237100000000 ] - [ -0.0001351100000000, -0.0001338400000000, 0.0001237100000000 ] - [ 0.0000000000000000, 0.0003208000000000, 0.0000374200000000 ] - [ -0.0000684500000000, 0.0000450800000000, -0.0000360000000000 ] - [ 0.0000684500000000, 0.0000450800000000, -0.0000360000000000 ] - [ 0.0000000000000000, -0.0017445200000000, 0.0024118000000000 ] - [ 0.0004761800000000, -0.0002505000000000, -0.0000204600000000 ] - [ -0.0004761800000000, -0.0002505000000000, -0.0000204600000000 ] - [ 0.0000000000000000, 0.0006119300000000, -0.0011401800000000 ] - [ -0.0002496300000000, 0.0003596500000000, -0.0007098800000000 ] - [ 0.0002496300000000, 0.0003596500000000, -0.0007098800000000 ] - [ -0.0033257400000000, -0.0008623700000000, 0.0051846600000000 ] - [ 0.0033257400000000, -0.0008623700000000, 0.0051846600000000 ] - [ 0.0000000000000000, -0.0003837900000000, 0.0000701700000000 ] - [ -0.0003434900000000, -0.0004406700000000, -0.0013765100000000 ] - [ 0.0003434900000000, -0.0004406700000000, -0.0013765100000000 ] - [ 0.0000000000000000, -0.0002401500000000, -0.0006665500000000 ] - [ 0.0000000000000000, -0.0042542000000000, 0.0066567000000000 ] - [ -0.0005926700000000, 0.0002001200000000, 0.0005683700000000 ] - [ 0.0005926700000000, 0.0002001200000000, 0.0005683700000000 ] - [ 0.0000000000000000, -0.0002863400000000, -0.0009724400000000 ] - [ 0.0002271200000000, -0.0000854800000000, -0.0002156000000000 ] - [ -0.0002271200000000, -0.0000854800000000, -0.0002156000000000 ] - [ 0.0003246600000000, 0.0002362800000000, -0.0008087800000000 ] - [ -0.0003246600000000, 0.0002362800000000, -0.0008087800000000 ] - [ 0.0000000000000000, 0.0000355300000000, 0.0000346300000000 ] - [ 0.0008690900000000, -0.0002766900000000, 0.0047026000000000 ] - [ -0.0008690900000000, -0.0002766900000000, 0.0047026000000000 ] - [ 0.0000000000000000, 0.0001304400000000, 0.0002772200000000 ] - [ 0.0000000000000000, -0.0021130400000000, -0.0047187800000000 ] - [ -0.0006396300000000, -0.0003648500000000, -0.0004904200000000 ] - [ 0.0006396300000000, -0.0003648500000000, -0.0004904200000000 ] - [ 0.0000000000000000, -0.0001946200000000, 0.0037237200000000 ] - [ 0.0006387900000000, 0.0000248800000000, -0.0001049200000000 ] - [ -0.0006387900000000, 0.0000248800000000, -0.0001049200000000 ] - [ 0.0002980500000000, 0.0005291200000000, 0.0006391600000000 ] - [ -0.0002980500000000, 0.0005291200000000, 0.0006391600000000 ] - [ 0.0000000000000000, 0.0001794000000000, 0.0001095300000000 ] - [ -0.0000590300000000, 0.0001073700000000, -0.0006167600000000 ] - [ 0.0000590300000000, 0.0001073700000000, -0.0006167600000000 ] - [ 0.0000000000000000, 0.0001579600000000, -0.0003547300000000 ] - [ -0.0007323800000000, 0.0004530200000000, 0.0040686700000000 ] - [ 0.0007323800000000, 0.0004530200000000, 0.0040686700000000 ] - [ 0.0000000000000000, -0.0000814000000000, 0.0001262300000000 ] - [ 0.0005530900000000, -0.0002341200000000, -0.0011730700000000 ] - [ -0.0005530900000000, -0.0002341200000000, -0.0011730700000000 ] - [ 0.0000000000000000, -0.0001078500000000, -0.0003235200000000 ] - [ 0.0000000000000000, 0.0009313900000000, -0.0003539900000000 ] - [ -0.0001304500000000, 0.0002539100000000, 0.0000054000000000 ] - [ 0.0001304500000000, 0.0002539100000000, 0.0000054000000000 ] - [ 0.0000000000000000, -0.0002401400000000, -0.0003880200000000 ] - [ 0.0001097400000000, -0.0001031300000000, -0.0001829100000000 ] - [ -0.0001097400000000, -0.0001031300000000, -0.0001829100000000 ] - [ 0.0000147900000000, 0.0006095600000000, -0.0001534800000000 ] - [ -0.0000147900000000, 0.0006095600000000, -0.0001534800000000 ] - [ 0.0000000000000000, 0.0003057500000000, -0.0002625900000000 ] - [ 0.0000885100000000, 0.0000701600000000, -0.0006200200000000 ] - [ -0.0000885100000000, 0.0000701600000000, -0.0006200200000000 ] - [ 0.0000000000000000, 0.0002611000000000, -0.0004847200000000 ] - [ 0.0000000000000000, -0.0002537600000000, -0.0001542300000000 ] - [ -0.0000618100000000, -0.0002606700000000, -0.0002634500000000 ] - [ 0.0000618100000000, -0.0002606700000000, -0.0002634500000000 ] - [ 0.0000000000000000, -0.0001856000000000, -0.0005141900000000 ] - [ 0.0000282100000000, -0.0002304700000000, -0.0004379400000000 ] - [ -0.0000282100000000, -0.0002304700000000, -0.0004379400000000 ] - [ 0.0001713300000000, -0.0004541400000000, 0.0005353800000000 ] - [ -0.0001713300000000, -0.0004541400000000, 0.0005353800000000 ] - [ 0.0000000000000000, -0.0000332200000000, 0.0003448300000000 ] - [ -0.0000771400000000, 0.0001909400000000, -0.0001394300000000 ] - [ 0.0000771400000000, 0.0001909400000000, -0.0001394300000000 ] - [ 0.0000000000000000, -0.0000065800000000, -0.0000210200000000 ] - [ 0.0000000000000000, -0.0000162500000000, -0.0000356500000000 ] - [ -0.0000553500000000, 0.0000199100000000, 0.0000523900000000 ] - [ 0.0000553500000000, 0.0000199100000000, 0.0000523900000000 ] - [ 0.0000000000000000, 0.0001603300000000, 0.0002736000000000 ] - [ 0.0000342900000000, 0.0001258200000000, 0.0002006800000000 ] - [ -0.0000342900000000, 0.0001258200000000, 0.0002006800000000 ] - [ 0.0001843800000000, 0.0000488400000000, -0.0003244100000000 ] - [ -0.0001843800000000, 0.0000488400000000, -0.0003244100000000 ] - [ 0.0000000000000000, -0.0001330000000000, -0.0002226200000000 ] - [ -0.0000763400000000, -0.0002853800000000, -0.0000669400000000 ] - [ 0.0000763400000000, -0.0002853800000000, -0.0000669400000000 ] - [ 0.0000000000000000, -0.0001975300000000, -0.0000881300000000 ] - [ 0.0000000000000000, 0.0000150800000000, 0.0018501900000000 ] - [ 0.0002735500000000, 0.0004656000000000, 0.0004245000000000 ] - [ -0.0002735500000000, 0.0004656000000000, 0.0004245000000000 ] - [ 0.0000000000000000, 0.0001949600000000, -0.0007793100000000 ] - [ -0.0000401800000000, 0.0000938000000000, -0.0004623500000000 ] - [ 0.0000401800000000, 0.0000938000000000, -0.0004623500000000 ] - [ 0.0000000000000000, -0.0004761600000000, 0.0004736400000000 ] - [ -0.0000447000000000, -0.0000899800000000, 0.0001536900000000 ] - [ 0.0000447000000000, -0.0000899800000000, 0.0001536900000000 ] - [ 0.0000000000000000, -0.0000173800000000, -0.0003913800000000 ] - [ -0.0000010000000000, -0.0000684000000000, -0.0002185100000000 ] - [ 0.0000010000000000, -0.0000684000000000, -0.0002185100000000 ] - [ 0.0009008500000000, -0.0011654500000000, 0.0000427800000000 ] - [ -0.0009008500000000, -0.0011654500000000, 0.0000427800000000 ] - [ 0.0000000000000000, -0.0000147600000000, 0.0002112900000000 ] - [ -0.0006918500000000, 0.0006998600000000, -0.0006609100000000 ] - [ 0.0006918500000000, 0.0006998600000000, -0.0006609100000000 ] - [ 0.0000000000000000, 0.0001953100000000, -0.0003049500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0161851500000000, 0.0582708000000000 ] - [ 0.0002102500000000, -0.0005095500000000, 0.0028846200000000 ] - [ -0.0002102500000000, -0.0005095500000000, 0.0028846200000000 ] - [ 0.0000000000000000, 0.0006397200000000, -0.0031945200000000 ] - [ -0.0001379200000000, 0.0001688400000000, -0.0006976600000000 ] - [ 0.0001379200000000, 0.0001688400000000, -0.0006976600000000 ] - [ 0.0021543400000000, 0.0026283900000000, -0.0017219200000000 ] - [ -0.0021543400000000, 0.0026283900000000, -0.0017219200000000 ] - [ 0.0000000000000000, 0.0000390500000000, 0.0002642600000000 ] - [ -0.0018363000000000, -0.0023791900000000, -0.0017280500000000 ] - [ 0.0018363000000000, -0.0023791900000000, -0.0017280500000000 ] - [ 0.0000000000000000, -0.0000989000000000, 0.0002657900000000 ] - [ -0.0000331600000000, 0.0001488000000000, 0.0008964200000000 ] - [ 0.0000331600000000, 0.0001488000000000, 0.0008964200000000 ] - [ 0.0000000000000000, 0.0000714400000000, 0.0005903100000000 ] - [ -0.0000057700000000, -0.0001023200000000, -0.0000667800000000 ] - [ 0.0000057700000000, -0.0001023200000000, -0.0000667800000000 ] - [ 0.0000000000000000, -0.0000336000000000, 0.0001370200000000 ] - [ 0.0000000000000000, -0.0016641200000000, 0.0001968100000000 ] - [ -0.0006151600000000, -0.0003204000000000, 0.0002996400000000 ] - [ 0.0006151600000000, -0.0003204000000000, 0.0002996400000000 ] - [ 0.0000000000000000, 0.0021065000000000, 0.0002008700000000 ] - [ 0.0003661000000000, 0.0004599900000000, 0.0003007400000000 ] - [ -0.0003661000000000, 0.0004599900000000, 0.0003007400000000 ] - [ 0.0000000000000000, 0.0017111900000000, 0.0038792700000000 ] - [ -0.0001427200000000, -0.0000261800000000, 0.0007953800000000 ] - [ 0.0001427200000000, -0.0000261800000000, 0.0007953800000000 ] - [ 0.0000000000000000, -0.0000458700000000, -0.0010443700000000 ] - [ 0.0000711500000000, 0.0000483400000000, -0.0004452000000000 ] - [ -0.0000711500000000, 0.0000483400000000, -0.0004452000000000 ] - [ 0.0052515500000000, -0.0012650100000000, -0.0045228800000000 ] - [ -0.0052515500000000, -0.0012650100000000, -0.0045228800000000 ] - [ 0.0000000000000000, 0.0000052900000000, 0.0002204800000000 ] - [ -0.0086580300000000, 0.0034507400000000, -0.0070855600000000 ] - [ 0.0086580300000000, 0.0034507400000000, -0.0070855600000000 ] - [ 0.0000000000000000, -0.0001364700000000, -0.0000708700000000 ] - [ 0.0007421200000000, 0.0003012500000000, 0.0023103700000000 ] - [ -0.0007421200000000, 0.0003012500000000, 0.0023103700000000 ] - [ 0.0000000000000000, 0.0001594000000000, 0.0003020300000000 ] - [ -0.0000157300000000, -0.0002543400000000, -0.0010766100000000 ] - [ 0.0000157300000000, -0.0002543400000000, -0.0010766100000000 ] - [ 0.0000000000000000, -0.0000430700000000, -0.0002955300000000 ] - [ 0.0000000000000000, 0.0003556700000000, -0.0002267300000000 ] - [ -0.0001355500000000, 0.0000456500000000, -0.0000334500000000 ] - [ 0.0001355500000000, 0.0000456500000000, -0.0000334500000000 ] - [ 0.0000000000000000, -0.0004105900000000, 0.0000542300000000 ] - [ 0.0000683600000000, -0.0001344000000000, 0.0001276300000000 ] - [ -0.0000683600000000, -0.0001344000000000, 0.0001276300000000 ] - [ 0.0000000000000000, 0.0022274200000000, -0.0031571400000000 ] - [ -0.0004765400000000, 0.0007630900000000, -0.0006855200000000 ] - [ 0.0004765400000000, 0.0007630900000000, -0.0006855200000000 ] - [ 0.0000000000000000, -0.0000946600000000, 0.0004336800000000 ] - [ 0.0002488200000000, 0.0001551000000000, 0.0000040400000000 ] - [ -0.0002488200000000, 0.0001551000000000, 0.0000040400000000 ] - [ 0.0031854100000000, 0.0003317100000000, -0.0058017000000000 ] - [ -0.0031854100000000, 0.0003317100000000, -0.0058017000000000 ] - [ 0.0000000000000000, -0.0001293600000000, -0.0007752700000000 ] - [ 0.0003469300000000, -0.0000751700000000, 0.0006652900000000 ] - [ -0.0003469300000000, -0.0000751700000000, 0.0006652900000000 ] - [ 0.0000000000000000, -0.0002739400000000, -0.0000421900000000 ] - [ 0.0000000000000000, 0.0039621000000000, -0.0062745000000000 ] - [ 0.0005922400000000, -0.0003076600000000, -0.0002886000000000 ] - [ -0.0005922400000000, -0.0003076600000000, -0.0002886000000000 ] - [ 0.0000000000000000, 0.0001864100000000, 0.0012584100000000 ] - [ -0.0002274800000000, -0.0000212200000000, 0.0004935700000000 ] - [ 0.0002274800000000, -0.0000212200000000, 0.0004935700000000 ] - [ -0.0003181200000000, -0.0001279600000000, 0.0010877700000000 ] - [ 0.0003181200000000, -0.0001279600000000, 0.0010877700000000 ] - [ 0.0000000000000000, 0.0000717600000000, 0.0002445500000000 ] - [ -0.0009735900000000, 0.0003627700000000, -0.0045150100000000 ] - [ 0.0009735900000000, 0.0003627700000000, -0.0045150100000000 ] - [ 0.0000000000000000, -0.0000237300000000, 0.0000019500000000 ] - [ 0.0000000000000000, 0.0017446000000000, 0.0043802300000000 ] - [ 0.0006369300000000, 0.0000267900000000, 0.0001956700000000 ] - [ -0.0006369300000000, 0.0000267900000000, 0.0001956700000000 ] - [ 0.0000000000000000, 0.0000181500000000, -0.0043959600000000 ] - [ -0.0006357100000000, -0.0003652300000000, -0.0001953200000000 ] - [ 0.0006357100000000, -0.0003652300000000, -0.0001953200000000 ] - [ -0.0002982100000000, -0.0001907200000000, -0.0009348500000000 ] - [ 0.0002982100000000, -0.0001907200000000, -0.0009348500000000 ] - [ 0.0000000000000000, 0.0001591800000000, -0.0004059100000000 ] - [ 0.0000603600000000, 0.0002331300000000, 0.0003196100000000 ] - [ -0.0000603600000000, 0.0002331300000000, 0.0003196100000000 ] - [ 0.0000000000000000, 0.0001811500000000, 0.0000574200000000 ] - [ 0.0007274400000000, -0.0005826800000000, -0.0042116800000000 ] - [ -0.0007274400000000, -0.0005826800000000, -0.0042116800000000 ] - [ 0.0000000000000000, -0.0000491800000000, -0.0002407700000000 ] - [ -0.0005456900000000, 0.0000996000000000, 0.0010491700000000 ] - [ 0.0005456900000000, 0.0000996000000000, 0.0010491700000000 ] - [ 0.0000000000000000, -0.0000234100000000, 0.0002079000000000 ] - [ 0.0000000000000000, -0.0008048500000000, 0.0002415500000000 ] - [ 0.0001303900000000, -0.0001226700000000, -0.0001198700000000 ] - [ -0.0001303900000000, -0.0001226700000000, -0.0001198700000000 ] - [ 0.0000000000000000, 0.0003720700000000, 0.0002698900000000 ] - [ -0.0001102500000000, 0.0002349300000000, 0.0000672600000000 ] - [ 0.0001102500000000, 0.0002349300000000, 0.0000672600000000 ] - [ -0.0000162900000000, -0.0000926000000000, -0.0005535800000000 ] - [ 0.0000162900000000, -0.0000926000000000, -0.0005535800000000 ] - [ 0.0000000000000000, 0.0002076600000000, -0.0004433500000000 ] - [ -0.0000878700000000, 0.0004405500000000, -0.0000874900000000 ] - [ 0.0000878700000000, 0.0004405500000000, -0.0000874900000000 ] - [ 0.0000000000000000, 0.0002522300000000, -0.0002220500000000 ] - [ 0.0000000000000000, -0.0002616100000000, -0.0005514000000000 ] - [ 0.0000618200000000, -0.0002530300000000, -0.0004424800000000 ] - [ -0.0000618200000000, -0.0002530300000000, -0.0004424800000000 ] - [ 0.0000000000000000, -0.0003274400000000, -0.0001928600000000 ] - [ -0.0000281900000000, -0.0002826000000000, -0.0002687800000000 ] - [ 0.0000281900000000, -0.0002826000000000, -0.0002687800000000 ] - [ -0.0001734900000000, 0.0003441800000000, -0.0002518900000000 ] - [ 0.0001734900000000, 0.0003441800000000, -0.0002518900000000 ] - [ 0.0000000000000000, -0.0000741400000000, -0.0000645800000000 ] - [ 0.0000768800000000, -0.0002975100000000, 0.0004166300000000 ] - [ -0.0000768800000000, -0.0002975100000000, 0.0004166300000000 ] - [ 0.0000000000000000, -0.0001004100000000, 0.0002990900000000 ] - [ 0.0000000000000000, 0.0001225400000000, 0.0003145500000000 ] - [ 0.0000551400000000, 0.0000867100000000, 0.0002266100000000 ] - [ -0.0000551400000000, 0.0000867100000000, 0.0002266100000000 ] - [ 0.0000000000000000, -0.0000514800000000, 0.0000048600000000 ] - [ -0.0000338100000000, -0.0000180900000000, 0.0000780500000000 ] - [ 0.0000338100000000, -0.0000180900000000, 0.0000780500000000 ] - [ -0.0001848900000000, -0.0003884100000000, 0.0000284400000000 ] - [ 0.0001848900000000, -0.0003884100000000, 0.0000284400000000 ] - [ 0.0000000000000000, -0.0002063500000000, -0.0000734600000000 ] - [ 0.0000764000000000, -0.0000535600000000, -0.0002299700000000 ] - [ -0.0000764000000000, -0.0000535600000000, -0.0002299700000000 ] - [ 0.0000000000000000, -0.0001414400000000, -0.0002087100000000 ] - [ 0.0000000000000000, 0.0003481300000000, -0.0021375100000000 ] - [ -0.0002723600000000, -0.0001255300000000, -0.0007177900000000 ] - [ 0.0002723600000000, -0.0001255300000000, -0.0007177900000000 ] - [ 0.0000000000000000, 0.0001432700000000, 0.0004783200000000 ] - [ 0.0000390800000000, 0.0002443800000000, 0.0001632500000000 ] - [ -0.0000390800000000, 0.0002443800000000, 0.0001632500000000 ] - [ 0.0000000000000000, 0.0003458900000000, -0.0005890000000000 ] - [ 0.0000449100000000, -0.0000412300000000, -0.0002688300000000 ] - [ -0.0000449100000000, -0.0000412300000000, -0.0002688300000000 ] - [ 0.0000000000000000, -0.0001132100000000, 0.0002766400000000 ] - [ 0.0000009000000000, -0.0000625200000000, 0.0001035300000000 ] - [ -0.0000009000000000, -0.0000625200000000, 0.0001035300000000 ] - [ -0.0008882300000000, 0.0012831200000000, -0.0001569100000000 ] - [ 0.0008882300000000, 0.0012831200000000, -0.0001569100000000 ] - [ 0.0000000000000000, 0.0001455500000000, -0.0003249800000000 ] - [ 0.0006887500000000, -0.0005680500000000, 0.0005408900000000 ] - [ -0.0006887500000000, -0.0005680500000000, 0.0005408900000000 ] - [ 0.0000000000000000, -0.0000638600000000, 0.0001883400000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0019616300000000, -0.0000345200000000, 0.0003738800000000 ] - [ 0.0005972600000000, 0.0011647200000000, 0.0002319900000000 ] - [ 0.0005963500000000, -0.0012093600000000, 0.0005168400000000 ] - [ -0.0004815100000000, -0.0000243800000000, 0.0003741700000000 ] - [ 0.0002337200000000, 0.0001603500000000, 0.0004447900000000 ] - [ 0.0002332700000000, -0.0002081600000000, 0.0003027900000000 ] - [ 0.0021446400000000, -0.0033683600000000, -0.0081890300000000 ] - [ 0.0021717200000000, 0.0034398200000000, 0.0090167600000000 ] - [ 0.0018249200000000, 0.0000232500000000, 0.0003743900000000 ] - [ 0.0005728300000000, -0.0013879200000000, 0.0056420700000000 ] - [ 0.0005790100000000, 0.0014448100000000, -0.0049455300000000 ] - [ 0.0014138600000000, 0.0000232800000000, 0.0003727800000000 ] - [ 0.0002091400000000, 0.0053252100000000, 0.0011086200000000 ] - [ 0.0002179900000000, -0.0054152100000000, -0.0003591300000000 ] - [ 0.0015289400000000, -0.0000240900000000, 0.0003741200000000 ] - [ -0.0001549000000000, 0.0001643800000000, 0.0003581800000000 ] - [ -0.0001555500000000, -0.0002117700000000, 0.0003887500000000 ] - [ 0.0003468200000000, -0.0000239600000000, 0.0003737000000000 ] - [ -0.0002713700000000, 0.0000252100000000, 0.0003735600000000 ] - [ 0.0001377000000000, -0.0001124900000000, 0.0004423200000000 ] - [ 0.0001381900000000, 0.0001604500000000, 0.0003055200000000 ] - [ -0.0003312800000000, 0.0000236200000000, 0.0003734500000000 ] - [ 0.0001590600000000, -0.0001008800000000, 0.0002386300000000 ] - [ 0.0001591500000000, 0.0001487700000000, 0.0005090700000000 ] - [ -0.0619772400000000, 0.0001729400000000, -0.0001491500000000 ] - [ 0.0063498600000000, 0.0004780400000000, -0.0002221400000000 ] - [ 0.0063585800000000, -0.0003957200000000, 0.0003270100000000 ] - [ -0.0003671300000000, 0.0000442100000000, 0.0000455800000000 ] - [ 0.0001732200000000, 0.0000086100000000, 0.0001462700000000 ] - [ 0.0001740000000000, 0.0000804200000000, -0.0000554800000000 ] - [ -0.0001121500000000, -0.0003391700000000, -0.0000614100000000 ] - [ -0.0001128200000000, 0.0002514500000000, 0.0001527500000000 ] - [ 0.0002444100000000, -0.0000441900000000, 0.0000460700000000 ] - [ -0.0001123300000000, -0.0004054700000000, 0.0002260300000000 ] - [ -0.0001126700000000, 0.0003190000000000, -0.0001355800000000 ] - [ 0.0002444500000000, -0.0000439000000000, 0.0000456200000000 ] - [ -0.0000768200000000, 0.0000564600000000, -0.0000327900000000 ] - [ -0.0000773000000000, 0.0000338800000000, 0.0001253200000000 ] - [ 0.0001529700000000, 0.0000450700000000, 0.0000459100000000 ] - [ -0.0000654200000000, 0.0000084800000000, 0.0000499800000000 ] - [ -0.0000655200000000, 0.0000815100000000, 0.0000410000000000 ] - [ 0.0001274400000000, 0.0000448700000000, 0.0000456000000000 ] - [ -0.0008682700000000, -0.0000419200000000, 0.0000421800000000 ] - [ 0.0004262200000000, -0.0009473100000000, 0.0007892500000000 ] - [ 0.0004270500000000, 0.0008588000000000, -0.0006970600000000 ] - [ -0.0008683000000000, -0.0000396200000000, 0.0000487300000000 ] - [ 0.0004275900000000, -0.0004216500000000, -0.0008766800000000 ] - [ 0.0004257100000000, 0.0003323900000000, 0.0009678100000000 ] - [ 0.0056278700000000, 0.0002052200000000, -0.0002806500000000 ] - [ -0.0013715400000000, -0.0004940500000000, 0.0006696900000000 ] - [ -0.0013665000000000, 0.0010063800000000, -0.0013755700000000 ] - [ 0.0005183600000000, 0.0002570100000000, -0.0003545300000000 ] - [ -0.0002736200000000, 0.0001628800000000, -0.0006506100000000 ] - [ -0.0002723900000000, 0.0003509800000000, -0.0000565800000000 ] - [ 0.0003707400000000, -0.0000127600000000, -0.0002487400000000 ] - [ 0.0003732900000000, -0.0005027300000000, -0.0004596100000000 ] - [ -0.0004872400000000, -0.0002570700000000, -0.0003537100000000 ] - [ 0.0000664700000000, -0.0001513400000000, -0.0005013400000000 ] - [ 0.0000667300000000, -0.0003624800000000, -0.0002045400000000 ] - [ -0.0001393700000000, -0.0002568200000000, -0.0003532700000000 ] - [ 0.0056306000000000, -0.0001143200000000, 0.0000962000000000 ] - [ -0.0014064100000000, -0.0008454800000000, -0.0007385800000000 ] - [ -0.0014040500000000, 0.0007382100000000, 0.0010167800000000 ] - [ 0.0002676100000000, -0.0000534700000000, 0.0001385000000000 ] - [ -0.0001198700000000, -0.0000638100000000, 0.0001791200000000 ] - [ -0.0001202500000000, -0.0000431500000000, 0.0001002900000000 ] - [ 0.0000704000000000, 0.0004812500000000, 0.0003520800000000 ] - [ 0.0000706900000000, -0.0003768100000000, -0.0000743800000000 ] - [ -0.0001865800000000, 0.0000535200000000, 0.0001393400000000 ] - [ 0.0003318100000000, 0.0005495900000000, -0.0003530200000000 ] - [ 0.0003348600000000, -0.0004470700000000, 0.0006366200000000 ] - [ -0.0005131400000000, 0.0000529000000000, 0.0001396200000000 ] - [ 0.0002686700000000, -0.0001697400000000, -0.0001482700000000 ] - [ -0.0001235400000000, -0.0002417000000000, -0.0001566800000000 ] - [ -0.0001237000000000, -0.0000977300000000, -0.0001398300000000 ] - [ 0.0002948300000000, -0.0001700300000000, -0.0001486300000000 ] - [ -0.0001350500000000, -0.0002572300000000, -0.0000612300000000 ] - [ -0.0001351100000000, -0.0000824700000000, -0.0002352500000000 ] - [ 0.0151421500000000, 0.0009675900000000, -0.0021069800000000 ] - [ 0.0162378500000000, -0.0007255500000000, 0.0019409100000000 ] - [ -0.0014093600000000, 0.0001699900000000, -0.0001491600000000 ] - [ 0.0001753200000000, 0.0000612600000000, -0.0002417000000000 ] - [ 0.0001760100000000, 0.0002786500000000, -0.0000547200000000 ] - [ -0.0003527300000000, 0.0001696600000000, -0.0001483900000000 ] - [ 0.0001022100000000, 0.0000383000000000, -0.0000237100000000 ] - [ 0.0001030000000000, -0.0001708300000000, -0.0000922700000000 ] - [ -0.0001928100000000, -0.0000660300000000, -0.0000578800000000 ] - [ 0.0000534300000000, 0.0000299800000000, -0.0000138800000000 ] - [ 0.0000535800000000, -0.0001619300000000, -0.0001016500000000 ] - [ -0.0001067600000000, -0.0000657500000000, -0.0000576900000000 ] - [ 0.0045139900000000, 0.0000805200000000, -0.0001086600000000 ] - [ -0.0014756300000000, 0.0001912400000000, -0.0014323400000000 ] - [ -0.0014759600000000, -0.0000585600000000, 0.0013175900000000 ] - [ 0.0005953400000000, 0.0000658600000000, -0.0000591500000000 ] - [ -0.0002379200000000, 0.0000753600000000, 0.0002568900000000 ] - [ -0.0002377100000000, 0.0000563400000000, -0.0003713800000000 ] - [ 0.0000928800000000, 0.0000352100000000, -0.0004661000000000 ] - [ 0.0000926500000000, 0.0004793700000000, -0.0002407700000000 ] - [ -0.0001892300000000, 0.0002566900000000, -0.0003534600000000 ] - [ 0.0000427000000000, 0.0002569900000000, -0.0003574500000000 ] - [ 0.0000429400000000, 0.0002561000000000, -0.0003492100000000 ] - [ -0.0000855700000000, 0.0002566200000000, -0.0003533800000000 ] - [ 0.0006802800000000, -0.0002603000000000, -0.0003529800000000 ] - [ -0.0002354200000000, 0.0000922300000000, -0.0004279500000000 ] - [ -0.0002356200000000, -0.0006052500000000, -0.0002791300000000 ] - [ 0.0001857100000000, -0.0002571300000000, -0.0003533100000000 ] - [ -0.0000906400000000, -0.0001723100000000, -0.0002816700000000 ] - [ -0.0000906100000000, -0.0003411400000000, -0.0004249400000000 ] - [ 0.0000723400000000, -0.0002375900000000, 0.0002523900000000 ] - [ 0.0000730700000000, 0.0001302800000000, 0.0000257100000000 ] - [ -0.0001666900000000, -0.0000536600000000, 0.0001393400000000 ] - [ 0.0000554500000000, -0.0000859700000000, 0.0001132200000000 ] - [ 0.0000555000000000, -0.0000214500000000, 0.0001659000000000 ] - [ -0.0001103000000000, -0.0000536500000000, 0.0001394700000000 ] - [ 0.0001762400000000, 0.0000531100000000, 0.0001400300000000 ] - [ -0.0000833300000000, 0.0001127400000000, 0.0000746300000000 ] - [ -0.0000837000000000, -0.0000058300000000, 0.0002042900000000 ] - [ 0.0005363700000000, 0.0000538100000000, 0.0001392400000000 ] - [ -0.0002663000000000, 0.0005691500000000, 0.0003109500000000 ] - [ -0.0002656500000000, -0.0004617100000000, -0.0000319600000000 ] - [ 0.0004817100000000, -0.0002532500000000, 0.0000971000000000 ] - [ 0.0004865100000000, -0.0000869900000000, -0.0003935200000000 ] - [ -0.0006818200000000, -0.0001696300000000, -0.0001484800000000 ] - [ 0.0003721900000000, -0.0005855800000000, -0.0006063300000000 ] - [ 0.0003750300000000, 0.0002498500000000, 0.0003126200000000 ] - [ -0.0006665800000000, -0.0001696200000000, -0.0001483400000000 ] - [ 0.0001845300000000, 0.0001697100000000, -0.0001487500000000 ] - [ -0.0000904900000000, 0.0001459200000000, -0.0001475900000000 ] - [ -0.0000906100000000, 0.0001928700000000, -0.0001497200000000 ] - [ 0.0001251000000000, 0.0001694600000000, -0.0001484500000000 ] - [ -0.0000626900000000, 0.0001584000000000, -0.0001284900000000 ] - [ -0.0000627000000000, 0.0001806100000000, -0.0001684400000000 ] - [ 0.0044057800000000, 0.0000243300000000, -0.0000064400000000 ] - [ -0.0017108000000000, 0.0010985900000000, 0.0009434600000000 ] - [ -0.0017095200000000, -0.0012304800000000, -0.0010604800000000 ] - [ 0.0002933000000000, -0.0000662000000000, -0.0000568700000000 ] - [ -0.0001286900000000, 0.0000333900000000, -0.0002020000000000 ] - [ -0.0001290400000000, -0.0001646300000000, 0.0000871400000000 ] - [ 0.0000586900000000, 0.0000749600000000, -0.0000156300000000 ] - [ 0.0000590400000000, 0.0000562000000000, -0.0000996500000000 ] - [ -0.0001091300000000, 0.0000655000000000, -0.0000577800000000 ] - [ 0.0000536500000000, 0.0000923600000000, -0.0000798200000000 ] - [ 0.0000537600000000, 0.0000386200000000, -0.0000353500000000 ] - [ -0.0001127000000000, 0.0000655600000000, -0.0000576400000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0111021100000000, -0.0012867000000000 ] - [ 0.0008912300000000, -0.0000455700000000, 0.0004453700000000 ] - [ -0.0008912300000000, -0.0000455700000000, 0.0004453700000000 ] - [ 0.0000000000000000, 0.0001907300000000, 0.0004605800000000 ] - [ 0.0001905400000000, 0.0000844100000000, 0.0003697100000000 ] - [ -0.0001905400000000, 0.0000844100000000, 0.0003697100000000 ] - [ -0.0033835700000000, -0.0019564600000000, 0.0038370500000000 ] - [ 0.0033835700000000, -0.0019564600000000, 0.0038370500000000 ] - [ 0.0000000000000000, -0.0002336400000000, 0.0002812800000000 ] - [ -0.0017055300000000, -0.0019025800000000, -0.0008492900000000 ] - [ 0.0017055300000000, -0.0019025800000000, -0.0008492900000000 ] - [ 0.0000000000000000, -0.0003388600000000, 0.0004233400000000 ] - [ 0.0049919400000000, 0.0041394000000000, 0.0000969600000000 ] - [ -0.0049919400000000, 0.0041394000000000, 0.0000969600000000 ] - [ 0.0000000000000000, -0.0000035300000000, 0.0002584200000000 ] - [ 0.0002631600000000, 0.0000050000000000, 0.0006761900000000 ] - [ -0.0002631600000000, 0.0000050000000000, 0.0006761900000000 ] - [ 0.0000000000000000, -0.0000755500000000, 0.0004617700000000 ] - [ 0.0000000000000000, 0.0014746700000000, 0.0000111800000000 ] - [ -0.0001202700000000, 0.0004591900000000, 0.0002843800000000 ] - [ 0.0001202700000000, 0.0004591900000000, 0.0002843800000000 ] - [ 0.0000000000000000, 0.0012558200000000, 0.0007734200000000 ] - [ -0.0001306800000000, 0.0006027900000000, 0.0004633100000000 ] - [ 0.0001306800000000, 0.0006027900000000, 0.0004633100000000 ] - [ 0.0000000000000000, -0.0835105100000000, -0.0091180800000000 ] - [ -0.0004380400000000, -0.0000730300000000, 0.0000452300000000 ] - [ 0.0004380400000000, -0.0000730300000000, 0.0000452300000000 ] - [ 0.0000000000000000, -0.0008268100000000, 0.0001716500000000 ] - [ 0.0000352500000000, -0.0004138600000000, 0.0000909900000000 ] - [ -0.0000352500000000, -0.0004138600000000, 0.0000909900000000 ] - [ -0.0003619900000000, 0.0008061500000000, 0.0007552800000000 ] - [ 0.0003619900000000, 0.0008061500000000, 0.0007552800000000 ] - [ 0.0000000000000000, 0.0000968700000000, 0.0000154700000000 ] - [ -0.0002951300000000, 0.0008082100000000, -0.0004743400000000 ] - [ 0.0002951300000000, 0.0008082100000000, -0.0004743400000000 ] - [ 0.0000000000000000, 0.0000967400000000, 0.0000017300000000 ] - [ -0.0000115200000000, 0.0010996100000000, 0.0000226000000000 ] - [ 0.0000115200000000, 0.0010996100000000, 0.0000226000000000 ] - [ 0.0000000000000000, 0.0003602000000000, 0.0000151400000000 ] - [ 0.0000366700000000, 0.0005124100000000, 0.0000594100000000 ] - [ -0.0000366700000000, 0.0005124100000000, 0.0000594100000000 ] - [ 0.0000000000000000, 0.0003288200000000, 0.0000522400000000 ] - [ 0.0000000000000000, 0.0010721200000000, -0.0031384700000000 ] - [ -0.0003764400000000, -0.0003370200000000, -0.0000306900000000 ] - [ 0.0003764400000000, -0.0003370200000000, -0.0000306900000000 ] - [ 0.0000000000000000, 0.0010655300000000, 0.0051869900000000 ] - [ -0.0009029500000000, -0.0003373200000000, 0.0001995700000000 ] - [ 0.0009029500000000, -0.0003373200000000, 0.0001995700000000 ] - [ 0.0000000000000000, 0.0139742400000000, -0.0121394700000000 ] - [ -0.0000643800000000, 0.0006452800000000, -0.0005974800000000 ] - [ 0.0000643800000000, 0.0006452800000000, -0.0005974800000000 ] - [ 0.0000000000000000, 0.0012244400000000, -0.0006034200000000 ] - [ -0.0002721200000000, 0.0002994200000000, -0.0004901500000000 ] - [ 0.0002721200000000, 0.0002994200000000, -0.0004901500000000 ] - [ 0.0009767800000000, -0.0011946800000000, -0.0007333600000000 ] - [ -0.0009767800000000, -0.0011946800000000, -0.0007333600000000 ] - [ 0.0000000000000000, -0.0002024300000000, -0.0004479500000000 ] - [ 0.0000791600000000, -0.0003477500000000, -0.0001024300000000 ] - [ -0.0000791600000000, -0.0003477500000000, -0.0001024300000000 ] - [ 0.0000000000000000, -0.0002779800000000, -0.0003586800000000 ] - [ 0.0000000000000000, 0.0178260600000000, 0.0085661500000000 ] - [ 0.0000204000000000, 0.0003439400000000, 0.0003718600000000 ] - [ -0.0000204000000000, 0.0003439400000000, 0.0003718600000000 ] - [ 0.0000000000000000, 0.0004840600000000, 0.0004919600000000 ] - [ -0.0002668800000000, 0.0000652500000000, 0.0002409800000000 ] - [ 0.0002668800000000, 0.0000652500000000, 0.0002409800000000 ] - [ 0.0001048900000000, 0.0000143100000000, -0.0001827700000000 ] - [ -0.0001048900000000, 0.0000143100000000, -0.0001827700000000 ] - [ 0.0000000000000000, 0.0000485000000000, 0.0001520200000000 ] - [ 0.0008361500000000, -0.0005877500000000, 0.0008125100000000 ] - [ -0.0008361500000000, -0.0005877500000000, 0.0008125100000000 ] - [ 0.0000000000000000, 0.0001279000000000, 0.0001966300000000 ] - [ 0.0000000000000000, -0.0007148100000000, -0.0003673700000000 ] - [ -0.0001603400000000, -0.0003585100000000, -0.0002411400000000 ] - [ 0.0001603400000000, -0.0003585100000000, -0.0002411400000000 ] - [ 0.0000000000000000, -0.0006920000000000, 0.0003360200000000 ] - [ -0.0002079700000000, -0.0003934800000000, -0.0000526100000000 ] - [ 0.0002079700000000, -0.0003934800000000, -0.0000526100000000 ] - [ 0.0012915700000000, 0.0051973800000000, -0.0000879900000000 ] - [ -0.0012915700000000, 0.0051973800000000, -0.0000879900000000 ] - [ 0.0000000000000000, 0.0003488000000000, -0.0000765300000000 ] - [ 0.0000557300000000, 0.0005590100000000, -0.0000269000000000 ] - [ -0.0000557300000000, 0.0005590100000000, -0.0000269000000000 ] - [ 0.0000000000000000, 0.0003742600000000, -0.0001616300000000 ] - [ 0.0003110700000000, -0.0007762600000000, -0.0000024700000000 ] - [ -0.0003110700000000, -0.0007762600000000, -0.0000024700000000 ] - [ 0.0000000000000000, -0.0002284200000000, -0.0000749200000000 ] - [ 0.0000625500000000, -0.0002861500000000, -0.0001448400000000 ] - [ -0.0000625500000000, -0.0002861500000000, -0.0001448400000000 ] - [ 0.0000000000000000, -0.0001991100000000, -0.0001094900000000 ] - [ 0.0000000000000000, 0.0049215100000000, -0.0026298700000000 ] - [ -0.0000865100000000, 0.0004599500000000, -0.0000362100000000 ] - [ 0.0000865100000000, 0.0004599500000000, -0.0000362100000000 ] - [ 0.0000000000000000, 0.0011688200000000, -0.0006425600000000 ] - [ 0.0000366300000000, 0.0005089100000000, -0.0001991000000000 ] - [ -0.0000366300000000, 0.0005089100000000, -0.0001991000000000 ] - [ -0.0002131100000000, -0.0003826300000000, -0.0003677400000000 ] - [ 0.0002131100000000, -0.0003826300000000, -0.0003677400000000 ] - [ 0.0000000000000000, 0.0000425900000000, -0.0003304400000000 ] - [ -0.0000626300000000, 0.0000362100000000, -0.0003453300000000 ] - [ 0.0000626300000000, 0.0000362100000000, -0.0003453300000000 ] - [ 0.0000000000000000, 0.0001415800000000, -0.0003408400000000 ] - [ 0.0000000000000000, -0.0018420500000000, 0.0008291600000000 ] - [ 0.0003098100000000, -0.0002303000000000, -0.0000817500000000 ] - [ -0.0003098100000000, -0.0002303000000000, -0.0000817500000000 ] - [ 0.0000000000000000, -0.0003972300000000, -0.0008698100000000 ] - [ 0.0002233700000000, -0.0003262400000000, -0.0005364600000000 ] - [ -0.0002233700000000, -0.0003262400000000, -0.0005364600000000 ] - [ -0.0002259700000000, -0.0007286900000000, 0.0002869900000000 ] - [ 0.0002259700000000, -0.0007286900000000, 0.0002869900000000 ] - [ 0.0000000000000000, -0.0002353800000000, 0.0001373800000000 ] - [ -0.0000821500000000, -0.0003073200000000, 0.0000686200000000 ] - [ 0.0000821500000000, -0.0003073200000000, 0.0000686200000000 ] - [ 0.0000000000000000, -0.0002077600000000, 0.0000992200000000 ] - [ 0.0000000000000000, -0.0000637500000000, 0.0005616700000000 ] - [ 0.0000893500000000, 0.0000007600000000, 0.0001971400000000 ] - [ -0.0000893500000000, 0.0000007600000000, 0.0001971400000000 ] - [ 0.0000000000000000, -0.0019905400000000, -0.0005424600000000 ] - [ 0.0003469300000000, -0.0000671700000000, 0.0000251800000000 ] - [ -0.0003469300000000, -0.0000671700000000, 0.0000251800000000 ] - [ -0.0004876700000000, -0.0000886500000000, 0.0002187300000000 ] - [ 0.0004876700000000, -0.0000886500000000, 0.0002187300000000 ] - [ 0.0000000000000000, -0.0000252500000000, -0.0001343700000000 ] - [ -0.0013062000000000, -0.0003754200000000, -0.0012968000000000 ] - [ 0.0013062000000000, -0.0003754200000000, -0.0012968000000000 ] - [ 0.0000000000000000, -0.0000231900000000, -0.0001957900000000 ] - [ 0.0000000000000000, -0.0004019300000000, -0.0001959700000000 ] - [ -0.0000264000000000, -0.0001441100000000, -0.0001754600000000 ] - [ 0.0000264000000000, -0.0001441100000000, -0.0001754600000000 ] - [ 0.0000000000000000, -0.0000739900000000, -0.0002540000000000 ] - [ 0.0000017400000000, -0.0000140300000000, -0.0001848100000000 ] - [ -0.0000017400000000, -0.0000140300000000, -0.0001848100000000 ] - [ 0.0000000000000000, 0.0258152000000000, 0.0096171900000000 ] - [ 0.0002404500000000, 0.0002735200000000, 0.0000525800000000 ] - [ -0.0002404500000000, 0.0002735200000000, 0.0000525800000000 ] - [ 0.0000000000000000, 0.0001392600000000, 0.0002420300000000 ] - [ 0.0000904900000000, 0.0001109000000000, -0.0000020600000000 ] - [ -0.0000904900000000, 0.0001109000000000, -0.0000020600000000 ] - [ 0.0000535800000000, -0.0005025900000000, -0.0000501100000000 ] - [ -0.0000535800000000, -0.0005025900000000, -0.0000501100000000 ] - [ 0.0000000000000000, -0.0001083500000000, -0.0000138400000000 ] - [ 0.0000229800000000, -0.0002836500000000, 0.0000184700000000 ] - [ -0.0000229800000000, -0.0002836500000000, 0.0000184700000000 ] - [ 0.0000000000000000, -0.0001492800000000, -0.0000036600000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0109581600000000, 0.0020252500000000 ] - [ -0.0008865000000000, -0.0000044900000000, 0.0003039900000000 ] - [ 0.0008865000000000, -0.0000044900000000, 0.0003039900000000 ] - [ 0.0000000000000000, -0.0002419600000000, 0.0002869800000000 ] - [ -0.0001899100000000, -0.0001333900000000, 0.0003781700000000 ] - [ 0.0001899100000000, -0.0001333900000000, 0.0003781700000000 ] - [ 0.0033902600000000, 0.0019850700000000, -0.0030896300000000 ] - [ -0.0033902600000000, 0.0019850700000000, -0.0030896300000000 ] - [ 0.0000000000000000, 0.0002800300000000, 0.0004670200000000 ] - [ 0.0017147300000000, 0.0019381100000000, 0.0016044700000000 ] - [ -0.0017147300000000, 0.0019381100000000, 0.0016044700000000 ] - [ 0.0000000000000000, 0.0003853800000000, 0.0003251500000000 ] - [ -0.0050400400000000, -0.0042448300000000, 0.0006211200000000 ] - [ 0.0050400400000000, -0.0042448300000000, 0.0006211200000000 ] - [ 0.0000000000000000, -0.0000422400000000, 0.0004894100000000 ] - [ -0.0002636400000000, -0.0000508300000000, 0.0000741500000000 ] - [ 0.0002636400000000, -0.0000508300000000, 0.0000741500000000 ] - [ 0.0000000000000000, 0.0000286600000000, 0.0002866000000000 ] - [ 0.0000000000000000, -0.0014391600000000, 0.0007435400000000 ] - [ 0.0001223200000000, -0.0004109500000000, 0.0004649200000000 ] - [ -0.0001223200000000, -0.0004109500000000, 0.0004649200000000 ] - [ 0.0000000000000000, -0.0012045500000000, -0.0000237000000000 ] - [ 0.0001301500000000, -0.0005538100000000, 0.0002845700000000 ] - [ -0.0001301500000000, -0.0005538100000000, 0.0002845700000000 ] - [ 0.0000000000000000, 0.0838142500000000, 0.0097881800000000 ] - [ 0.0004360600000000, 0.0001610300000000, 0.0000446200000000 ] - [ -0.0004360600000000, 0.0001610300000000, 0.0000446200000000 ] - [ 0.0000000000000000, 0.0009175100000000, -0.0000828700000000 ] - [ -0.0000364000000000, 0.0005039500000000, -0.0000008400000000 ] - [ 0.0000364000000000, 0.0005039500000000, -0.0000008400000000 ] - [ 0.0003623600000000, -0.0008951100000000, -0.0006620500000000 ] - [ -0.0003623600000000, -0.0008951100000000, -0.0006620500000000 ] - [ 0.0000000000000000, -0.0001860600000000, 0.0000747300000000 ] - [ 0.0002953400000000, -0.0008930300000000, 0.0005596900000000 ] - [ -0.0002953400000000, -0.0008930300000000, 0.0005596900000000 ] - [ 0.0000000000000000, -0.0001861400000000, 0.0000881600000000 ] - [ 0.0000109600000000, -0.0010093500000000, 0.0000660700000000 ] - [ -0.0000109600000000, -0.0010093500000000, 0.0000660700000000 ] - [ 0.0000000000000000, -0.0002701700000000, 0.0000748100000000 ] - [ -0.0000365100000000, -0.0004226100000000, 0.0000311600000000 ] - [ 0.0000365100000000, -0.0004226100000000, 0.0000311600000000 ] - [ 0.0000000000000000, -0.0002389400000000, 0.0000379300000000 ] - [ 0.0000000000000000, -0.0011555500000000, 0.0032770800000000 ] - [ 0.0003777700000000, 0.0002507200000000, 0.0001201300000000 ] - [ -0.0003777700000000, 0.0002507200000000, 0.0001201300000000 ] - [ 0.0000000000000000, -0.0011621500000000, -0.0050861100000000 ] - [ 0.0009034200000000, 0.0002504100000000, -0.0001093600000000 ] - [ -0.0009034200000000, 0.0002504100000000, -0.0001093600000000 ] - [ 0.0000000000000000, -0.0132951900000000, 0.0110318000000000 ] - [ 0.0000661800000000, -0.0001297900000000, -0.0001102400000000 ] - [ -0.0000661800000000, -0.0001297900000000, -0.0001102400000000 ] - [ 0.0000000000000000, -0.0007107100000000, -0.0000982800000000 ] - [ 0.0002719300000000, 0.0002141900000000, -0.0002153800000000 ] - [ -0.0002719300000000, 0.0002141900000000, -0.0002153800000000 ] - [ -0.0009751800000000, 0.0006778500000000, 0.0000196100000000 ] - [ 0.0009751800000000, 0.0006778500000000, 0.0000196100000000 ] - [ 0.0000000000000000, -0.0003100900000000, -0.0002586700000000 ] - [ -0.0000793800000000, -0.0001645600000000, -0.0006014800000000 ] - [ 0.0000793800000000, -0.0001645600000000, -0.0006014800000000 ] - [ 0.0000000000000000, -0.0002345800000000, -0.0003472300000000 ] - [ 0.0000000000000000, -0.0172714600000000, -0.0076989300000000 ] - [ -0.0000200200000000, -0.0004493500000000, -0.0000919300000000 ] - [ 0.0000200200000000, -0.0004493500000000, -0.0000919300000000 ] - [ 0.0000000000000000, -0.0005909100000000, -0.0002135300000000 ] - [ 0.0002675400000000, -0.0001716300000000, 0.0000376300000000 ] - [ -0.0002675400000000, -0.0001716300000000, 0.0000376300000000 ] - [ -0.0001053500000000, 0.0000949900000000, 0.0004603400000000 ] - [ 0.0001053500000000, 0.0000949900000000, 0.0004603400000000 ] - [ 0.0000000000000000, 0.0000595100000000, 0.0001266700000000 ] - [ -0.0008313400000000, 0.0006894200000000, -0.0005221600000000 ] - [ 0.0008313400000000, 0.0006894200000000, -0.0005221600000000 ] - [ 0.0000000000000000, -0.0000195300000000, 0.0000823300000000 ] - [ 0.0000000000000000, 0.0003773400000000, 0.0000695100000000 ] - [ 0.0001597600000000, 0.0000198100000000, -0.0000560800000000 ] - [ -0.0001597600000000, 0.0000198100000000, -0.0000560800000000 ] - [ 0.0000000000000000, 0.0003514000000000, -0.0006314700000000 ] - [ 0.0002068400000000, 0.0000540000000000, -0.0002433000000000 ] - [ -0.0002068400000000, 0.0000540000000000, -0.0002433000000000 ] - [ -0.0011807000000000, -0.0048488000000000, -0.0002290400000000 ] - [ 0.0011807000000000, -0.0048488000000000, -0.0002290400000000 ] - [ 0.0000000000000000, -0.0000095900000000, -0.0002204900000000 ] - [ -0.0000573200000000, -0.0002203500000000, -0.0002703900000000 ] - [ 0.0000573200000000, -0.0002203500000000, -0.0002703900000000 ] - [ 0.0000000000000000, -0.0000353200000000, -0.0001355200000000 ] - [ -0.0003083700000000, 0.0006412400000000, -0.0001117800000000 ] - [ 0.0003083700000000, 0.0006412400000000, -0.0001117800000000 ] - [ 0.0000000000000000, 0.0000980100000000, -0.0000401000000000 ] - [ -0.0000625500000000, 0.0001558700000000, 0.0000292900000000 ] - [ 0.0000625500000000, 0.0001558700000000, 0.0000292900000000 ] - [ 0.0000000000000000, 0.0000685800000000, -0.0000058500000000 ] - [ 0.0000000000000000, -0.0047503100000000, 0.0025084900000000 ] - [ 0.0000886100000000, -0.0003292700000000, -0.0000768300000000 ] - [ -0.0000886100000000, -0.0003292700000000, -0.0000768300000000 ] - [ 0.0000000000000000, -0.0010377300000000, 0.0005248100000000 ] - [ -0.0000362200000000, -0.0003787800000000, 0.0000837000000000 ] - [ 0.0000362200000000, -0.0003787800000000, 0.0000837000000000 ] - [ 0.0002120500000000, 0.0008942900000000, -0.0003366000000000 ] - [ -0.0002120500000000, 0.0008942900000000, -0.0003366000000000 ] - [ 0.0000000000000000, 0.0004704300000000, -0.0003754800000000 ] - [ 0.0000633000000000, 0.0004772500000000, -0.0003617300000000 ] - [ -0.0000633000000000, 0.0004772500000000, -0.0003617300000000 ] - [ 0.0000000000000000, 0.0003714000000000, -0.0003656900000000 ] - [ 0.0000000000000000, 0.0013594300000000, -0.0015533600000000 ] - [ -0.0003108100000000, -0.0002839400000000, -0.0006244400000000 ] - [ 0.0003108100000000, -0.0002839400000000, -0.0006244400000000 ] - [ 0.0000000000000000, -0.0001171700000000, 0.0001617500000000 ] - [ -0.0002231900000000, -0.0001876700000000, -0.0001699400000000 ] - [ 0.0002231900000000, -0.0001876700000000, -0.0001699400000000 ] - [ 0.0002304700000000, 0.0006250100000000, -0.0000074500000000 ] - [ -0.0002304700000000, 0.0006250100000000, -0.0000074500000000 ] - [ 0.0000000000000000, 0.0001275800000000, 0.0001415400000000 ] - [ 0.0000818600000000, 0.0001995000000000, 0.0002098700000000 ] - [ -0.0000818600000000, 0.0001995000000000, 0.0002098700000000 ] - [ 0.0000000000000000, 0.0001000200000000, 0.0001796000000000 ] - [ 0.0000000000000000, 0.0001706600000000, -0.0002895600000000 ] - [ -0.0000895600000000, 0.0001058800000000, 0.0000814800000000 ] - [ 0.0000895600000000, 0.0001058800000000, 0.0000814800000000 ] - [ 0.0000000000000000, 0.0020772800000000, 0.0008177800000000 ] - [ -0.0003485700000000, 0.0001737500000000, 0.0002550300000000 ] - [ 0.0003485700000000, 0.0001737500000000, 0.0002550300000000 ] - [ 0.0004883900000000, -0.0002537100000000, -0.0005183500000000 ] - [ -0.0004883900000000, -0.0002537100000000, -0.0005183500000000 ] - [ 0.0000000000000000, -0.0003148300000000, -0.0001619700000000 ] - [ 0.0013066200000000, 0.0000361100000000, 0.0010039300000000 ] - [ -0.0013066200000000, 0.0000361100000000, 0.0010039300000000 ] - [ 0.0000000000000000, -0.0003166700000000, -0.0001009200000000 ] - [ 0.0000000000000000, 0.0007401800000000, -0.0001004500000000 ] - [ 0.0000253700000000, 0.0004828600000000, -0.0001214000000000 ] - [ -0.0000253700000000, 0.0004828600000000, -0.0001214000000000 ] - [ 0.0000000000000000, 0.0004132400000000, -0.0000436100000000 ] - [ -0.0000018500000000, 0.0003531400000000, -0.0001122500000000 ] - [ 0.0000018500000000, 0.0003531400000000, -0.0001122500000000 ] - [ 0.0000000000000000, -0.0270524400000000, -0.0104251700000000 ] - [ -0.0002395400000000, -0.0004075700000000, -0.0001692900000000 ] - [ 0.0002395400000000, -0.0004075700000000, -0.0001692900000000 ] - [ 0.0000000000000000, -0.0002720100000000, -0.0003565700000000 ] - [ -0.0000907000000000, -0.0002423800000000, -0.0001135400000000 ] - [ 0.0000907000000000, -0.0002423800000000, -0.0001135400000000 ] - [ -0.0000533400000000, 0.0006346700000000, -0.0000659400000000 ] - [ 0.0000533400000000, 0.0006346700000000, -0.0000659400000000 ] - [ 0.0000000000000000, 0.0002393200000000, -0.0001014300000000 ] - [ -0.0000230800000000, 0.0004138200000000, -0.0001329800000000 ] - [ 0.0000230800000000, 0.0004138200000000, -0.0001329800000000 ] - [ 0.0000000000000000, 0.0002799200000000, -0.0001112300000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0028456700000000, -0.0034576900000000 ] - [ -0.0001994500000000, 0.0001447200000000, -0.0003763300000000 ] - [ 0.0001994500000000, 0.0001447200000000, -0.0003763300000000 ] - [ 0.0000000000000000, 0.0001321000000000, 0.0014636800000000 ] - [ 0.0000329700000000, -0.0000006700000000, 0.0008652100000000 ] - [ -0.0000329700000000, -0.0000006700000000, 0.0008652100000000 ] - [ -0.0086847300000000, 0.0035973800000000, 0.0075061700000000 ] - [ 0.0086847300000000, 0.0035973800000000, 0.0075061700000000 ] - [ 0.0000000000000000, 0.0001247400000000, 0.0004899000000000 ] - [ 0.0050544100000000, -0.0010309600000000, 0.0049438500000000 ] - [ -0.0050544100000000, -0.0010309600000000, 0.0049438500000000 ] - [ 0.0000000000000000, -0.0000265500000000, 0.0001996400000000 ] - [ 0.0010477900000000, 0.0000914500000000, -0.0018997100000000 ] - [ -0.0010477900000000, 0.0000914500000000, -0.0018997100000000 ] - [ 0.0000000000000000, -0.0001367500000000, 0.0001163700000000 ] - [ -0.0000540300000000, -0.0001372200000000, 0.0015002300000000 ] - [ 0.0000540300000000, -0.0001372200000000, 0.0015002300000000 ] - [ 0.0000000000000000, -0.0000505900000000, 0.0007161100000000 ] - [ 0.0000000000000000, -0.0004207500000000, 0.0003660400000000 ] - [ 0.0000879000000000, -0.0000703800000000, 0.0002920100000000 ] - [ -0.0000879000000000, -0.0000703800000000, 0.0002920100000000 ] - [ 0.0000000000000000, 0.0002414500000000, 0.0006468600000000 ] - [ -0.0001239800000000, 0.0000545900000000, 0.0004537300000000 ] - [ 0.0001239800000000, 0.0000545900000000, 0.0004537300000000 ] - [ 0.0000000000000000, -0.0097404500000000, -0.0835857700000000 ] - [ 0.0002727500000000, 0.0000451300000000, -0.0001843100000000 ] - [ -0.0002727500000000, 0.0000451300000000, -0.0001843100000000 ] - [ 0.0000000000000000, 0.0001767000000000, 0.0029214300000000 ] - [ -0.0001003800000000, 0.0000906200000000, 0.0007223500000000 ] - [ 0.0001003800000000, 0.0000906200000000, 0.0007223500000000 ] - [ -0.0001802600000000, 0.0004719400000000, 0.0003226500000000 ] - [ 0.0001802600000000, 0.0004719400000000, 0.0003226500000000 ] - [ 0.0000000000000000, -0.0000014500000000, 0.0000285200000000 ] - [ 0.0001076800000000, -0.0007539400000000, 0.0003249300000000 ] - [ -0.0001076800000000, -0.0007539400000000, 0.0003249300000000 ] - [ 0.0000000000000000, -0.0000152400000000, 0.0000297700000000 ] - [ 0.0000793200000000, 0.0000229900000000, -0.0003588100000000 ] - [ -0.0000793200000000, 0.0000229900000000, -0.0003588100000000 ] - [ 0.0000000000000000, 0.0000150500000000, -0.0000996300000000 ] - [ -0.0000043900000000, 0.0000588500000000, 0.0003523300000000 ] - [ 0.0000043900000000, 0.0000588500000000, 0.0003523300000000 ] - [ 0.0000000000000000, 0.0000521700000000, 0.0002303100000000 ] - [ 0.0000000000000000, -0.0051842500000000, 0.0029480900000000 ] - [ 0.0009238900000000, -0.0001990900000000, -0.0000607700000000 ] - [ -0.0009238900000000, -0.0001990900000000, -0.0000607700000000 ] - [ 0.0000000000000000, 0.0031353000000000, 0.0029323000000000 ] - [ -0.0007408700000000, 0.0000304500000000, -0.0000584100000000 ] - [ 0.0007408700000000, 0.0000304500000000, -0.0000584100000000 ] - [ 0.0000000000000000, -0.0103759400000000, 0.0205212600000000 ] - [ 0.0001637500000000, 0.0000667900000000, 0.0001586000000000 ] - [ -0.0001637500000000, 0.0000667900000000, 0.0001586000000000 ] - [ 0.0000000000000000, -0.0004210200000000, -0.0019233000000000 ] - [ -0.0004100700000000, 0.0002567500000000, -0.0009288000000000 ] - [ 0.0004100700000000, 0.0002567500000000, -0.0009288000000000 ] - [ 0.0004643100000000, -0.0010296700000000, -0.0000599600000000 ] - [ -0.0004643100000000, -0.0010296700000000, -0.0000599600000000 ] - [ 0.0000000000000000, -0.0003839300000000, -0.0002211300000000 ] - [ -0.0000586300000000, 0.0000347000000000, -0.0007488800000000 ] - [ 0.0000586300000000, 0.0000347000000000, -0.0007488800000000 ] - [ 0.0000000000000000, -0.0001837400000000, -0.0004398500000000 ] - [ 0.0000000000000000, 0.0103830000000000, 0.0122489600000000 ] - [ -0.0003239800000000, -0.0001567200000000, 0.0005388100000000 ] - [ 0.0003239800000000, -0.0001567200000000, 0.0005388100000000 ] - [ 0.0000000000000000, 0.0001051500000000, -0.0013865200000000 ] - [ 0.0003709500000000, 0.0000580800000000, -0.0002834700000000 ] - [ -0.0003709500000000, 0.0000580800000000, -0.0002834700000000 ] - [ 0.0001232900000000, -0.0003245300000000, -0.0002333200000000 ] - [ -0.0001232900000000, -0.0003245300000000, -0.0002333200000000 ] - [ 0.0000000000000000, -0.0000520200000000, 0.0000908900000000 ] - [ -0.0010668700000000, 0.0011979200000000, 0.0001644200000000 ] - [ 0.0010668700000000, 0.0011979200000000, 0.0001644200000000 ] - [ 0.0000000000000000, 0.0000765200000000, 0.0002103200000000 ] - [ 0.0000000000000000, -0.0004169500000000, -0.0002798800000000 ] - [ -0.0001126100000000, -0.0002795100000000, -0.0002305400000000 ] - [ 0.0001126100000000, -0.0002795100000000, -0.0002305400000000 ] - [ 0.0000000000000000, 0.0001287300000000, -0.0000406900000000 ] - [ 0.0001787700000000, -0.0000339600000000, -0.0001356400000000 ] - [ -0.0001787700000000, -0.0000339600000000, -0.0001356400000000 ] - [ -0.0011270900000000, 0.0002817700000000, 0.0050618000000000 ] - [ 0.0011270900000000, 0.0002817700000000, 0.0050618000000000 ] - [ 0.0000000000000000, 0.0001841500000000, 0.0000344800000000 ] - [ -0.0001180000000000, 0.0000889800000000, -0.0010067500000000 ] - [ 0.0001180000000000, 0.0000889800000000, -0.0010067500000000 ] - [ 0.0000000000000000, 0.0001423300000000, -0.0004202800000000 ] - [ -0.0000459900000000, 0.0001624300000000, 0.0003024500000000 ] - [ 0.0000459900000000, 0.0001624300000000, 0.0003024500000000 ] - [ 0.0000000000000000, -0.0000753200000000, 0.0000248000000000 ] - [ 0.0000217500000000, -0.0001498600000000, -0.0002724500000000 ] - [ -0.0000217500000000, -0.0001498600000000, -0.0002724500000000 ] - [ 0.0000000000000000, -0.0000843300000000, -0.0001606600000000 ] - [ 0.0000000000000000, -0.0030356900000000, 0.0136718200000000 ] - [ -0.0002813500000000, 0.0001658800000000, 0.0002973100000000 ] - [ 0.0002813500000000, 0.0001658800000000, 0.0002973100000000 ] - [ 0.0000000000000000, -0.0003521000000000, -0.0020921300000000 ] - [ 0.0003819900000000, -0.0000602100000000, -0.0002801800000000 ] - [ -0.0003819900000000, -0.0000602100000000, -0.0002801800000000 ] - [ -0.0001224700000000, 0.0001738300000000, -0.0002570100000000 ] - [ 0.0001224700000000, 0.0001738300000000, -0.0002570100000000 ] - [ 0.0000000000000000, 0.0002382100000000, -0.0003023800000000 ] - [ 0.0000377800000000, 0.0003250100000000, -0.0004373700000000 ] - [ -0.0000377800000000, 0.0003250100000000, -0.0004373700000000 ] - [ 0.0000000000000000, 0.0003213200000000, -0.0004049500000000 ] - [ 0.0000000000000000, 0.0012143700000000, 0.0006770600000000 ] - [ -0.0000212600000000, -0.0000977700000000, -0.0000074600000000 ] - [ 0.0000212600000000, -0.0000977700000000, -0.0000074600000000 ] - [ 0.0000000000000000, -0.0005582500000000, -0.0008722200000000 ] - [ 0.0001255000000000, -0.0003408100000000, -0.0006263700000000 ] - [ -0.0001255000000000, -0.0003408100000000, -0.0006263700000000 ] - [ 0.0001393400000000, 0.0000238800000000, 0.0004209700000000 ] - [ -0.0001393400000000, 0.0000238800000000, 0.0004209700000000 ] - [ 0.0000000000000000, -0.0000334500000000, 0.0002204100000000 ] - [ -0.0000664400000000, -0.0000375000000000, -0.0000535500000000 ] - [ 0.0000664400000000, -0.0000375000000000, -0.0000535500000000 ] - [ 0.0000000000000000, -0.0000421900000000, 0.0000465700000000 ] - [ 0.0000000000000000, 0.0003914900000000, -0.0002306400000000 ] - [ -0.0002282500000000, 0.0001639200000000, -0.0000162700000000 ] - [ 0.0002282500000000, 0.0001639200000000, -0.0000162700000000 ] - [ 0.0000000000000000, -0.0011707700000000, 0.0000589300000000 ] - [ 0.0001886700000000, 0.0000959900000000, 0.0002123600000000 ] - [ -0.0001886700000000, 0.0000959900000000, 0.0002123600000000 ] - [ 0.0014864500000000, 0.0009064600000000, -0.0008798000000000 ] - [ -0.0014864500000000, 0.0009064600000000, -0.0008798000000000 ] - [ 0.0000000000000000, -0.0001240900000000, -0.0001871500000000 ] - [ -0.0008016400000000, -0.0008153700000000, -0.0005758800000000 ] - [ 0.0008016400000000, -0.0008153700000000, -0.0005758800000000 ] - [ 0.0000000000000000, -0.0001893000000000, -0.0000482000000000 ] - [ 0.0000000000000000, 0.0003023100000000, 0.0000480900000000 ] - [ 0.0000539800000000, 0.0001818700000000, -0.0000019200000000 ] - [ -0.0000539800000000, 0.0001818700000000, -0.0000019200000000 ] - [ 0.0000000000000000, 0.0001469600000000, -0.0003306000000000 ] - [ -0.0000021400000000, 0.0001593700000000, -0.0002608300000000 ] - [ 0.0000021400000000, 0.0001593700000000, -0.0002608300000000 ] - [ 0.0000000000000000, 0.0108126500000000, 0.0093774600000000 ] - [ -0.0000874600000000, 0.0001884800000000, 0.0002948500000000 ] - [ 0.0000874600000000, 0.0001884800000000, 0.0002948500000000 ] - [ 0.0000000000000000, 0.0002415500000000, -0.0016499300000000 ] - [ -0.0001029200000000, -0.0000780600000000, -0.0003728100000000 ] - [ 0.0001029200000000, -0.0000780600000000, -0.0003728100000000 ] - [ 0.0000507600000000, -0.0000662800000000, 0.0000025500000000 ] - [ -0.0000507600000000, -0.0000662800000000, 0.0000025500000000 ] - [ 0.0000000000000000, 0.0000513100000000, 0.0000184300000000 ] - [ -0.0000533300000000, 0.0001228100000000, -0.0001620400000000 ] - [ 0.0000533300000000, 0.0001228100000000, -0.0001620400000000 ] - [ 0.0000000000000000, 0.0001021300000000, -0.0001407700000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0027747500000000, 0.0042101300000000 ] - [ 0.0001978500000000, -0.0001936200000000, 0.0011255000000000 ] - [ -0.0001978500000000, -0.0001936200000000, 0.0011255000000000 ] - [ 0.0000000000000000, -0.0001790800000000, -0.0007143500000000 ] - [ -0.0000328800000000, -0.0000459400000000, -0.0001156900000000 ] - [ 0.0000328800000000, -0.0000459400000000, -0.0001156900000000 ] - [ 0.0085833600000000, -0.0034978500000000, -0.0066695500000000 ] - [ -0.0085833600000000, -0.0034978500000000, -0.0066695500000000 ] - [ 0.0000000000000000, -0.0000767500000000, 0.0002569200000000 ] - [ -0.0050951600000000, 0.0011172500000000, -0.0042411700000000 ] - [ 0.0050951600000000, 0.0011172500000000, -0.0042411700000000 ] - [ 0.0000000000000000, 0.0000743000000000, 0.0005520900000000 ] - [ -0.0010412600000000, -0.0001271000000000, 0.0026468800000000 ] - [ 0.0010412600000000, -0.0001271000000000, 0.0026468800000000 ] - [ 0.0000000000000000, 0.0000897300000000, 0.0006320300000000 ] - [ 0.0000508700000000, 0.0000867400000000, -0.0007506200000000 ] - [ -0.0000508700000000, 0.0000867400000000, -0.0007506200000000 ] - [ 0.0000000000000000, 0.0000017000000000, 0.0000339400000000 ] - [ 0.0000000000000000, 0.0004634400000000, 0.0003832200000000 ] - [ -0.0000875500000000, 0.0001174700000000, 0.0004562400000000 ] - [ 0.0000875500000000, 0.0001174700000000, 0.0004562400000000 ] - [ 0.0000000000000000, -0.0001960000000000, 0.0001053000000000 ] - [ 0.0001236800000000, -0.0000076300000000, 0.0002966800000000 ] - [ -0.0001236800000000, -0.0000076300000000, 0.0002966800000000 ] - [ 0.0000000000000000, 0.0091361300000000, 0.0832365600000000 ] - [ -0.0002764300000000, 0.0000440100000000, 0.0002754700000000 ] - [ 0.0002764300000000, 0.0000440100000000, 0.0002754700000000 ] - [ 0.0000000000000000, -0.0000784000000000, -0.0028486000000000 ] - [ 0.0001015700000000, -0.0000016600000000, -0.0006299700000000 ] - [ -0.0001015700000000, -0.0000016600000000, -0.0006299700000000 ] - [ 0.0001812600000000, -0.0005613200000000, -0.0002338000000000 ] - [ -0.0001812600000000, -0.0005613200000000, -0.0002338000000000 ] - [ 0.0000000000000000, -0.0000871800000000, 0.0000615900000000 ] - [ -0.0001065700000000, 0.0006642700000000, -0.0002315500000000 ] - [ 0.0001065700000000, 0.0006642700000000, -0.0002315500000000 ] - [ 0.0000000000000000, -0.0000735800000000, 0.0000628200000000 ] - [ -0.0000789200000000, 0.0000657600000000, 0.0004486600000000 ] - [ 0.0000789200000000, 0.0000657600000000, 0.0004486600000000 ] - [ 0.0000000000000000, 0.0000741600000000, 0.0001905200000000 ] - [ 0.0000044900000000, 0.0000300000000000, -0.0002607900000000 ] - [ -0.0000044900000000, 0.0000300000000000, -0.0002607900000000 ] - [ 0.0000000000000000, 0.0000372000000000, -0.0001389500000000 ] - [ 0.0000000000000000, 0.0050896200000000, -0.0028326900000000 ] - [ -0.0009205800000000, 0.0001106900000000, 0.0001495500000000 ] - [ 0.0009205800000000, 0.0001106900000000, 0.0001495500000000 ] - [ 0.0000000000000000, -0.0032793700000000, -0.0028486300000000 ] - [ 0.0007456400000000, -0.0001193000000000, 0.0001518300000000 ] - [ -0.0007456400000000, -0.0001193000000000, 0.0001518300000000 ] - [ 0.0000000000000000, 0.0115753400000000, -0.0220078300000000 ] - [ -0.0001627000000000, 0.0004468700000000, -0.0008660600000000 ] - [ 0.0001627000000000, 0.0004468700000000, -0.0008660600000000 ] - [ 0.0000000000000000, 0.0009326500000000, 0.0012216900000000 ] - [ 0.0004060500000000, 0.0002565200000000, 0.0002220000000000 ] - [ -0.0004060500000000, 0.0002565200000000, 0.0002220000000000 ] - [ -0.0004657900000000, 0.0005161500000000, -0.0006442000000000 ] - [ 0.0004657900000000, 0.0005161500000000, -0.0006442000000000 ] - [ 0.0000000000000000, -0.0001292200000000, -0.0004832600000000 ] - [ 0.0000588400000000, -0.0005494900000000, 0.0000431700000000 ] - [ -0.0000588400000000, -0.0005494900000000, 0.0000431700000000 ] - [ 0.0000000000000000, -0.0003301600000000, -0.0002657700000000 ] - [ 0.0000000000000000, -0.0101408000000000, -0.0117937300000000 ] - [ 0.0003251900000000, 0.0000499500000000, -0.0002560800000000 ] - [ -0.0003251900000000, 0.0000499500000000, -0.0002560800000000 ] - [ 0.0000000000000000, -0.0002203700000000, 0.0016645600000000 ] - [ -0.0003724900000000, -0.0001662800000000, 0.0005631500000000 ] - [ 0.0003724900000000, -0.0001662800000000, 0.0005631500000000 ] - [ -0.0001236200000000, 0.0004294500000000, 0.0005126000000000 ] - [ 0.0001236200000000, 0.0004294500000000, 0.0005126000000000 ] - [ 0.0000000000000000, 0.0001586200000000, 0.0001896300000000 ] - [ 0.0010654500000000, -0.0010931700000000, 0.0001145100000000 ] - [ -0.0010654500000000, -0.0010931700000000, 0.0001145100000000 ] - [ 0.0000000000000000, 0.0000307000000000, 0.0000689900000000 ] - [ 0.0000000000000000, 0.0000788700000000, -0.0000146500000000 ] - [ 0.0001127300000000, -0.0000598300000000, -0.0000643700000000 ] - [ -0.0001127300000000, -0.0000598300000000, -0.0000643700000000 ] - [ 0.0000000000000000, -0.0004666800000000, -0.0002560500000000 ] - [ -0.0001783200000000, -0.0003049800000000, -0.0001605500000000 ] - [ 0.0001783200000000, -0.0003049800000000, -0.0001605500000000 ] - [ 0.0012339900000000, 0.0000652500000000, -0.0053787400000000 ] - [ -0.0012339900000000, 0.0000652500000000, -0.0053787400000000 ] - [ 0.0000000000000000, 0.0001545500000000, -0.0003296300000000 ] - [ 0.0001200600000000, 0.0002483100000000, 0.0007127100000000 ] - [ -0.0001200600000000, 0.0002483100000000, 0.0007127100000000 ] - [ 0.0000000000000000, 0.0001968400000000, 0.0001234900000000 ] - [ 0.0000451700000000, -0.0002925800000000, -0.0004169000000000 ] - [ -0.0000451700000000, -0.0002925800000000, -0.0004169000000000 ] - [ 0.0000000000000000, -0.0000551700000000, -0.0001391300000000 ] - [ -0.0000219200000000, 0.0000186600000000, 0.0001583000000000 ] - [ 0.0000219200000000, 0.0000186600000000, 0.0001583000000000 ] - [ 0.0000000000000000, -0.0000466500000000, 0.0000465800000000 ] - [ 0.0000000000000000, 0.0028903900000000, -0.0129221300000000 ] - [ 0.0002804700000000, -0.0000349000000000, -0.0004074100000000 ] - [ -0.0002804700000000, -0.0000349000000000, -0.0004074100000000 ] - [ 0.0000000000000000, 0.0004901800000000, 0.0020069400000000 ] - [ -0.0003825300000000, 0.0001901200000000, 0.0001653300000000 ] - [ 0.0003825300000000, 0.0001901200000000, 0.0001653300000000 ] - [ 0.0001219600000000, 0.0003386700000000, -0.0004482700000000 ] - [ -0.0001219600000000, 0.0003386700000000, -0.0004482700000000 ] - [ 0.0000000000000000, 0.0002750300000000, -0.0004028200000000 ] - [ -0.0000375000000000, 0.0001888700000000, -0.0002674400000000 ] - [ 0.0000375000000000, 0.0001888700000000, -0.0002674400000000 ] - [ 0.0000000000000000, 0.0001921400000000, -0.0002999700000000 ] - [ 0.0000000000000000, -0.0017169200000000, -0.0013781000000000 ] - [ 0.0000212500000000, -0.0004154200000000, -0.0006962800000000 ] - [ -0.0000212500000000, -0.0004154200000000, -0.0006962800000000 ] - [ 0.0000000000000000, 0.0000494200000000, 0.0001662700000000 ] - [ -0.0001263300000000, -0.0001721500000000, -0.0000792900000000 ] - [ 0.0001263300000000, -0.0001721500000000, -0.0000792900000000 ] - [ -0.0001383300000000, -0.0001303400000000, -0.0001399600000000 ] - [ 0.0001383300000000, -0.0001303400000000, -0.0001399600000000 ] - [ 0.0000000000000000, -0.0000740000000000, 0.0000597700000000 ] - [ 0.0000668500000000, -0.0000686800000000, 0.0003331000000000 ] - [ -0.0000668500000000, -0.0000686800000000, 0.0003331000000000 ] - [ 0.0000000000000000, -0.0000648600000000, 0.0002330500000000 ] - [ 0.0000000000000000, -0.0002823100000000, 0.0005096000000000 ] - [ 0.0002274600000000, -0.0000560800000000, 0.0002963900000000 ] - [ -0.0002274600000000, -0.0000560800000000, 0.0002963900000000 ] - [ 0.0000000000000000, 0.0012706900000000, 0.0002189900000000 ] - [ -0.0001891800000000, 0.0000110600000000, 0.0000660600000000 ] - [ 0.0001891800000000, 0.0000110600000000, 0.0000660600000000 ] - [ -0.0014819400000000, -0.0012419600000000, 0.0005811400000000 ] - [ 0.0014819400000000, -0.0012419600000000, 0.0005811400000000 ] - [ 0.0000000000000000, -0.0002153600000000, -0.0001076900000000 ] - [ 0.0008043200000000, 0.0004836100000000, 0.0002806700000000 ] - [ -0.0008043200000000, 0.0004836100000000, 0.0002806700000000 ] - [ 0.0000000000000000, -0.0001503400000000, -0.0002484600000000 ] - [ 0.0000000000000000, 0.0000377800000000, -0.0003434400000000 ] - [ -0.0000536900000000, 0.0001573600000000, -0.0002935800000000 ] - [ 0.0000536900000000, 0.0001573600000000, -0.0002935800000000 ] - [ 0.0000000000000000, 0.0001924300000000, 0.0000342600000000 ] - [ 0.0000020500000000, 0.0001798200000000, -0.0000353500000000 ] - [ -0.0000020500000000, 0.0001798200000000, -0.0000353500000000 ] - [ 0.0000000000000000, -0.0111567600000000, -0.0095035500000000 ] - [ 0.0000900700000000, -0.0003216500000000, -0.0004119800000000 ] - [ -0.0000900700000000, -0.0003216500000000, -0.0004119800000000 ] - [ 0.0000000000000000, -0.0003714500000000, 0.0015364700000000 ] - [ 0.0001018500000000, -0.0000525500000000, 0.0002590300000000 ] - [ -0.0001018500000000, -0.0000525500000000, 0.0002590300000000 ] - [ -0.0000509500000000, 0.0001977400000000, -0.0001163400000000 ] - [ 0.0000509500000000, 0.0001977400000000, -0.0001163400000000 ] - [ 0.0000000000000000, 0.0000794800000000, -0.0001322600000000 ] - [ 0.0000531300000000, 0.0000081300000000, 0.0000470700000000 ] - [ -0.0000531300000000, 0.0000081300000000, 0.0000470700000000 ] - [ 0.0000000000000000, 0.0000287500000000, 0.0000261100000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0032491700000000, -0.0000153400000000, 0.0003738300000000 ] - [ -0.0007234500000000, -0.0002842900000000, -0.0001029600000000 ] - [ -0.0007269500000000, 0.0002359700000000, 0.0008499800000000 ] - [ 0.0004658800000000, -0.0000233300000000, 0.0003737700000000 ] - [ -0.0002214100000000, -0.0002700500000000, 0.0006241600000000 ] - [ -0.0002228200000000, 0.0002203700000000, 0.0001255000000000 ] - [ 0.0004132200000000, 0.0003264300000000, 0.0007192400000000 ] - [ 0.0004190000000000, -0.0002824800000000, 0.0000286900000000 ] - [ -0.0005285200000000, 0.0000234400000000, 0.0003741300000000 ] - [ 0.0065109400000000, 0.0002000400000000, 0.0035095600000000 ] - [ 0.0067758800000000, -0.0001868600000000, -0.0030035000000000 ] - [ -0.0012085900000000, 0.0000237600000000, 0.0003734100000000 ] - [ 0.0002921000000000, -0.0004897800000000, 0.0003592900000000 ] - [ 0.0002969200000000, 0.0004429100000000, 0.0003903900000000 ] - [ -0.0003768500000000, -0.0000233500000000, 0.0003739300000000 ] - [ 0.0001022800000000, -0.0001614100000000, 0.0002857400000000 ] - [ 0.0001036200000000, 0.0001142500000000, 0.0004619900000000 ] - [ -0.0002236100000000, -0.0000236200000000, 0.0003743500000000 ] - [ 0.0001389200000000, 0.0000240800000000, 0.0003744700000000 ] - [ -0.0000671900000000, 0.0000313200000000, 0.0003460300000000 ] - [ -0.0000679600000000, 0.0000166400000000, 0.0004022700000000 ] - [ 0.0002140000000000, 0.0000240600000000, 0.0003736500000000 ] - [ -0.0001124500000000, -0.0000333500000000, 0.0004356900000000 ] - [ -0.0001133000000000, 0.0000810500000000, 0.0003120900000000 ] - [ 0.0056270800000000, 0.0000851500000000, -0.0000169300000000 ] - [ -0.0013710400000000, 0.0001100000000000, -0.0001177500000000 ] - [ -0.0013686100000000, -0.0000206500000000, 0.0002086500000000 ] - [ 0.0005175800000000, 0.0000444900000000, 0.0000443400000000 ] - [ -0.0002736700000000, 0.0003179900000000, 0.0004559200000000 ] - [ -0.0002739400000000, -0.0002260200000000, -0.0003601600000000 ] - [ 0.0000652400000000, 0.0000352100000000, 0.0001057800000000 ] - [ 0.0000665200000000, -0.0001232200000000, -0.0000118100000000 ] - [ -0.0001401500000000, -0.0000448000000000, 0.0000460500000000 ] - [ 0.0003689300000000, 0.0009326000000000, -0.0004204500000000 ] - [ 0.0003734900000000, -0.0010192900000000, 0.0005095400000000 ] - [ -0.0004880700000000, -0.0000448600000000, 0.0000456700000000 ] - [ 0.0000914900000000, 0.0002579800000000, 0.0001680700000000 ] - [ 0.0000925300000000, -0.0001670800000000, -0.0000763400000000 ] - [ -0.0001901800000000, 0.0000447300000000, 0.0000456500000000 ] - [ 0.0000418100000000, 0.0001078700000000, 0.0000080300000000 ] - [ 0.0000422200000000, -0.0000180600000000, 0.0000833700000000 ] - [ -0.0000862300000000, 0.0000447400000000, 0.0000459400000000 ] - [ 0.0001848500000000, -0.0000444900000000, 0.0000462700000000 ] - [ -0.0000911400000000, 0.0001794400000000, -0.0000801700000000 ] - [ -0.0000915900000000, -0.0002671900000000, 0.0001717100000000 ] - [ 0.0006795400000000, -0.0000454300000000, 0.0000445500000000 ] - [ -0.0002359600000000, 0.0002668600000000, 0.0000670200000000 ] - [ -0.0002365500000000, -0.0003538300000000, 0.0000244900000000 ] - [ -0.0264819300000000, 0.0002352100000000, -0.0000596000000000 ] - [ 0.0007020700000000, 0.0002235800000000, -0.0001917600000000 ] - [ 0.0007017200000000, 0.0002910900000000, -0.0005124700000000 ] - [ -0.0001978200000000, 0.0002570900000000, -0.0003537300000000 ] - [ 0.0000787900000000, 0.0002575100000000, -0.0004379200000000 ] - [ 0.0000797000000000, 0.0002557600000000, -0.0002695600000000 ] - [ -0.0001553700000000, -0.0002808600000000, -0.0004474800000000 ] - [ -0.0001580600000000, -0.0002336900000000, -0.0002602400000000 ] - [ 0.0002492500000000, -0.0002566700000000, -0.0003532800000000 ] - [ -0.0001559700000000, -0.0005294200000000, 0.0000614500000000 ] - [ -0.0001574600000000, 0.0000168700000000, -0.0007678200000000 ] - [ 0.0002492500000000, -0.0002561200000000, -0.0003532500000000 ] - [ -0.0011912400000000, -0.0000562200000000, 0.0001270800000000 ] - [ 0.0002177500000000, 0.0000243900000000, 0.0003660900000000 ] - [ 0.0002184200000000, -0.0001309800000000, -0.0000866100000000 ] - [ -0.0007938900000000, -0.0000516000000000, 0.0001432800000000 ] - [ 0.0009299200000000, 0.0001690900000000, -0.0003425200000000 ] - [ 0.0009248100000000, -0.0002736600000000, 0.0006193400000000 ] - [ -0.0000540700000000, -0.0000404900000000, 0.0001222100000000 ] - [ -0.0000547300000000, 0.0001478600000000, 0.0001558400000000 ] - [ 0.0001277300000000, 0.0000536600000000, 0.0001393000000000 ] - [ 0.0015772600000000, -0.0019834100000000, 0.0007736300000000 ] - [ 0.0015752500000000, 0.0020957500000000, -0.0004992700000000 ] - [ 0.0003235200000000, 0.0000539200000000, 0.0001397300000000 ] - [ -0.0001394700000000, -0.0001699700000000, -0.0001486000000000 ] - [ 0.0000688800000000, -0.0001438200000000, -0.0001718200000000 ] - [ 0.0000695400000000, -0.0001956000000000, -0.0001252100000000 ] - [ -0.0004536700000000, -0.0001708300000000, -0.0001475000000000 ] - [ 0.0003236800000000, 0.0000897900000000, -0.0002220500000000 ] - [ 0.0003238200000000, -0.0004282300000000, -0.0000740400000000 ] - [ 0.0013830300000000, 0.0015275900000000, -0.0021722100000000 ] - [ 0.0013876600000000, -0.0011984300000000, 0.0018900400000000 ] - [ 0.0004237300000000, 0.0001695300000000, -0.0001482900000000 ] - [ -0.0002081600000000, 0.0003217800000000, 0.0001711700000000 ] - [ -0.0002140600000000, 0.0000160800000000, -0.0004676700000000 ] - [ 0.0004375600000000, 0.0001690900000000, -0.0001490100000000 ] - [ -0.0000681500000000, -0.0005065300000000, -0.0003354500000000 ] - [ -0.0000697600000000, 0.0003742900000000, 0.0002203500000000 ] - [ 0.0001886800000000, -0.0000655500000000, -0.0000574300000000 ] - [ -0.0000467200000000, -0.0001136400000000, -0.0000218100000000 ] - [ -0.0000472400000000, -0.0000176000000000, -0.0000938500000000 ] - [ 0.0000949000000000, -0.0000655000000000, -0.0000578300000000 ] - [ -0.0006564800000000, 0.0000665200000000, -0.0000575600000000 ] - [ 0.0003893800000000, -0.0000106800000000, 0.0002559600000000 ] - [ 0.0003884700000000, 0.0001417300000000, -0.0003696700000000 ] - [ -0.0005971700000000, 0.0000690100000000, -0.0000487900000000 ] - [ 0.0005169800000000, -0.0002855400000000, -0.0002535000000000 ] - [ 0.0005164300000000, 0.0004149800000000, 0.0001381500000000 ] - [ -0.0000574400000000, 0.0002097100000000, -0.0003243000000000 ] - [ -0.0000581000000000, 0.0003034100000000, -0.0003821700000000 ] - [ 0.0000888600000000, 0.0002566200000000, -0.0003532400000000 ] - [ -0.0000213200000000, 0.0002448300000000, -0.0003455700000000 ] - [ -0.0000215300000000, 0.0002682300000000, -0.0003610800000000 ] - [ 0.0000446900000000, 0.0002566100000000, -0.0003533500000000 ] - [ -0.0001250200000000, -0.0002565700000000, -0.0003535600000000 ] - [ 0.0000582400000000, -0.0003329800000000, -0.0003358800000000 ] - [ 0.0000585500000000, -0.0001810400000000, -0.0003707800000000 ] - [ -0.0001250200000000, -0.0002562800000000, -0.0003532100000000 ] - [ 0.0000582900000000, -0.0003558500000000, -0.0003965800000000 ] - [ 0.0000585100000000, -0.0001584400000000, -0.0003100700000000 ] - [ -0.0000431100000000, -0.0000315000000000, 0.0001018100000000 ] - [ -0.0000435200000000, -0.0000760500000000, 0.0001769500000000 ] - [ 0.0000814200000000, -0.0000537600000000, 0.0001394600000000 ] - [ -0.0000397400000000, -0.0000607200000000, 0.0001590200000000 ] - [ -0.0000402000000000, -0.0000466000000000, 0.0001200100000000 ] - [ 0.0000785900000000, -0.0000537200000000, 0.0001394200000000 ] - [ -0.0000679500000000, 0.0000533800000000, 0.0001393400000000 ] - [ 0.0000335500000000, 0.0000322200000000, 0.0001417800000000 ] - [ 0.0000338200000000, 0.0000745400000000, 0.0001369900000000 ] - [ -0.0001946200000000, 0.0000548300000000, 0.0001401100000000 ] - [ 0.0000890100000000, -0.0000485900000000, 0.0001397200000000 ] - [ 0.0000894200000000, 0.0001551800000000, 0.0001393000000000 ] - [ -0.0001099600000000, -0.0001429600000000, -0.0001638700000000 ] - [ -0.0001107400000000, -0.0001964700000000, -0.0001326300000000 ] - [ 0.0002101900000000, -0.0001699800000000, -0.0001482000000000 ] - [ -0.0001202500000000, 0.0001248500000000, -0.0000781300000000 ] - [ -0.0001221900000000, -0.0004654100000000, -0.0002182600000000 ] - [ 0.0002835500000000, -0.0001700300000000, -0.0001481000000000 ] - [ -0.0002555000000000, 0.0001690400000000, -0.0001483900000000 ] - [ 0.0001175200000000, 0.0002361200000000, -0.0000954600000000 ] - [ 0.0001180600000000, 0.0001029000000000, -0.0002014200000000 ] - [ -0.0000913400000000, 0.0001695100000000, -0.0001483500000000 ] - [ 0.0000465400000000, 0.0001883700000000, -0.0001646500000000 ] - [ 0.0000469300000000, 0.0001507900000000, -0.0001322900000000 ] - [ -0.0007841100000000, -0.0000572200000000, -0.0000584000000000 ] - [ 0.0002821600000000, -0.0002857300000000, -0.0001426000000000 ] - [ 0.0002821800000000, 0.0001536400000000, 0.0000271600000000 ] - [ -0.0001965300000000, -0.0000658000000000, -0.0000578200000000 ] - [ 0.0000852700000000, -0.0001230000000000, -0.0000797800000000 ] - [ 0.0000857500000000, -0.0000086300000000, -0.0000359000000000 ] - [ -0.0000265900000000, 0.0000284700000000, -0.0001165200000000 ] - [ -0.0000270600000000, 0.0001020000000000, 0.0000008000000000 ] - [ 0.0000769400000000, 0.0000655600000000, -0.0000576200000000 ] - [ -0.0000758300000000, -0.0000190800000000, -0.0000351600000000 ] - [ -0.0000766000000000, 0.0001500600000000, -0.0000798000000000 ] - [ 0.0001665200000000, 0.0000658300000000, -0.0000576800000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0016807200000000, -0.0015792300000000 ] - [ -0.0007535100000000, 0.0002300100000000, -0.0001330300000000 ] - [ 0.0007535100000000, 0.0002300100000000, -0.0001330300000000 ] - [ 0.0000000000000000, -0.0000760600000000, 0.0007280800000000 ] - [ -0.0001367100000000, 0.0001275100000000, 0.0004765600000000 ] - [ 0.0001367100000000, 0.0001275100000000, 0.0004765600000000 ] - [ 0.0000971700000000, 0.0007503000000000, 0.0005577200000000 ] - [ -0.0000971700000000, 0.0007503000000000, 0.0005577200000000 ] - [ 0.0000000000000000, 0.0002845600000000, 0.0003574600000000 ] - [ -0.0000003200000000, 0.0034182500000000, 0.0009795100000000 ] - [ 0.0000003200000000, 0.0034182500000000, 0.0009795100000000 ] - [ 0.0000000000000000, 0.0002452000000000, 0.0005021500000000 ] - [ -0.0009912300000000, -0.0007719500000000, 0.0007250600000000 ] - [ 0.0009912300000000, -0.0007719500000000, 0.0007250600000000 ] - [ 0.0000000000000000, -0.0001854800000000, 0.0004234600000000 ] - [ -0.0002158700000000, -0.0002522700000000, 0.0001893600000000 ] - [ 0.0002158700000000, -0.0002522700000000, 0.0001893600000000 ] - [ 0.0000000000000000, -0.0001269000000000, 0.0003787900000000 ] - [ 0.0000000000000000, -0.0004530200000000, 0.0003023200000000 ] - [ -0.0000037200000000, -0.0002210600000000, 0.0003477900000000 ] - [ 0.0000037200000000, -0.0002210600000000, 0.0003477900000000 ] - [ 0.0000000000000000, -0.0007500100000000, 0.0003716700000000 ] - [ 0.0000144500000000, -0.0003828300000000, 0.0003785100000000 ] - [ -0.0000144500000000, -0.0003828300000000, 0.0003785100000000 ] - [ 0.0000000000000000, 0.0136007500000000, -0.0107011000000000 ] - [ 0.0007524800000000, 0.0004327100000000, -0.0001449300000000 ] - [ -0.0007524800000000, 0.0004327100000000, -0.0001449300000000 ] - [ 0.0000000000000000, 0.0010111900000000, -0.0006320400000000 ] - [ 0.0000941200000000, 0.0000871300000000, 0.0000446200000000 ] - [ -0.0000941200000000, 0.0000871300000000, 0.0000446200000000 ] - [ 0.0001060800000000, -0.0001350500000000, -0.0002483100000000 ] - [ -0.0001060800000000, -0.0001350500000000, -0.0002483100000000 ] - [ 0.0000000000000000, -0.0000657700000000, -0.0000285300000000 ] - [ 0.0002461500000000, -0.0009804700000000, 0.0008196700000000 ] - [ -0.0002461500000000, -0.0009804700000000, 0.0008196700000000 ] - [ 0.0000000000000000, 0.0000099300000000, 0.0001730000000000 ] - [ 0.0002236900000000, -0.0005941800000000, -0.0000374000000000 ] - [ -0.0002236900000000, -0.0005941800000000, -0.0000374000000000 ] - [ 0.0000000000000000, -0.0001692100000000, 0.0000266700000000 ] - [ -0.0000002700000000, -0.0001753400000000, 0.0001134300000000 ] - [ 0.0000002700000000, -0.0001753400000000, 0.0001134300000000 ] - [ 0.0000000000000000, -0.0000698700000000, 0.0001099200000000 ] - [ 0.0000000000000000, -0.0001869100000000, 0.0003478200000000 ] - [ 0.0000843800000000, -0.0001147800000000, 0.0001293300000000 ] - [ -0.0000843800000000, -0.0001147800000000, 0.0001293300000000 ] - [ 0.0000000000000000, -0.0016421700000000, -0.0014138500000000 ] - [ 0.0003485100000000, -0.0000187500000000, -0.0001135200000000 ] - [ -0.0003485100000000, -0.0000187500000000, -0.0001135200000000 ] - [ 0.0000000000000000, -0.0234313500000000, 0.0131524100000000 ] - [ 0.0000328800000000, -0.0001525700000000, -0.0002676700000000 ] - [ -0.0000328800000000, -0.0001525700000000, -0.0002676700000000 ] - [ 0.0000000000000000, 0.0000062500000000, -0.0004793900000000 ] - [ -0.0000011300000000, 0.0001638900000000, -0.0003653300000000 ] - [ 0.0000011300000000, 0.0001638900000000, -0.0003653300000000 ] - [ -0.0002735900000000, -0.0003065600000000, 0.0000437800000000 ] - [ 0.0002735900000000, -0.0003065600000000, 0.0000437800000000 ] - [ 0.0000000000000000, -0.0003708300000000, -0.0001712500000000 ] - [ -0.0000234100000000, -0.0003064600000000, -0.0006931700000000 ] - [ 0.0000234100000000, -0.0003064600000000, -0.0006931700000000 ] - [ 0.0000000000000000, -0.0003709700000000, -0.0004238900000000 ] - [ 0.0000000000000000, -0.0009046500000000, 0.0011580600000000 ] - [ -0.0000724200000000, -0.0003295700000000, 0.0001164300000000 ] - [ 0.0000724200000000, -0.0003295700000000, 0.0001164300000000 ] - [ 0.0000000000000000, -0.0008219800000000, -0.0007821100000000 ] - [ -0.0002396300000000, -0.0002370500000000, 0.0002332000000000 ] - [ 0.0002396300000000, -0.0002370500000000, 0.0002332000000000 ] - [ -0.0000383300000000, -0.0000756200000000, 0.0001931900000000 ] - [ 0.0000383300000000, -0.0000756200000000, 0.0001931900000000 ] - [ 0.0000000000000000, -0.0000293600000000, 0.0001660900000000 ] - [ -0.0026508800000000, 0.0015066300000000, -0.0002229600000000 ] - [ 0.0026508800000000, 0.0015066300000000, -0.0002229600000000 ] - [ 0.0000000000000000, -0.0000652000000000, 0.0000875300000000 ] - [ 0.0000000000000000, -0.0001077900000000, -0.0000215200000000 ] - [ 0.0000534100000000, -0.0001466400000000, -0.0000916400000000 ] - [ -0.0000534100000000, -0.0001466400000000, -0.0000916400000000 ] - [ 0.0000000000000000, 0.0002754400000000, -0.0005215000000000 ] - [ 0.0003032500000000, 0.0000638100000000, -0.0002813700000000 ] - [ -0.0003032500000000, 0.0000638100000000, -0.0002813700000000 ] - [ 0.0012597700000000, 0.0002614100000000, -0.0011952200000000 ] - [ -0.0012597700000000, 0.0002614100000000, -0.0011952200000000 ] - [ 0.0000000000000000, 0.0000446000000000, -0.0001164800000000 ] - [ 0.0001701600000000, -0.0000476700000000, -0.0000447500000000 ] - [ -0.0001701600000000, -0.0000476700000000, -0.0000447500000000 ] - [ 0.0000000000000000, 0.0001497400000000, -0.0001732100000000 ] - [ -0.0002672400000000, 0.0004637400000000, 0.0001542900000000 ] - [ 0.0002672400000000, 0.0004637400000000, 0.0001542900000000 ] - [ 0.0000000000000000, 0.0000082000000000, -0.0000437100000000 ] - [ -0.0000335000000000, -0.0000286600000000, -0.0000705200000000 ] - [ 0.0000335000000000, -0.0000286600000000, -0.0000705200000000 ] - [ 0.0000000000000000, -0.0000480400000000, -0.0000565600000000 ] - [ 0.0000000000000000, -0.0002803300000000, -0.0006216400000000 ] - [ -0.0001782400000000, -0.0000277800000000, -0.0001776900000000 ] - [ 0.0001782400000000, -0.0000277800000000, -0.0001776900000000 ] - [ 0.0000000000000000, 0.0006035800000000, 0.0025688200000000 ] - [ 0.0000223800000000, -0.0001529500000000, -0.0000513900000000 ] - [ -0.0000223800000000, -0.0001529500000000, -0.0000513900000000 ] - [ 0.0000464700000000, 0.0005971600000000, -0.0003833400000000 ] - [ -0.0000464700000000, 0.0005971600000000, -0.0003833400000000 ] - [ 0.0000000000000000, 0.0004002900000000, -0.0003646100000000 ] - [ 0.0000115700000000, 0.0003769700000000, -0.0003306300000000 ] - [ -0.0000115700000000, 0.0003769700000000, -0.0003306300000000 ] - [ 0.0000000000000000, 0.0003317100000000, -0.0003488800000000 ] - [ 0.0000000000000000, 0.0000969300000000, -0.0006880900000000 ] - [ -0.0000983300000000, -0.0001861600000000, -0.0004530400000000 ] - [ 0.0000983300000000, -0.0001861600000000, -0.0004530400000000 ] - [ 0.0000000000000000, 0.0000976900000000, -0.0002331100000000 ] - [ -0.0000758600000000, -0.0001862700000000, -0.0003023700000000 ] - [ 0.0000758600000000, -0.0001862700000000, -0.0003023700000000 ] - [ -0.0000233200000000, 0.0002454100000000, 0.0001339300000000 ] - [ 0.0000233200000000, 0.0002454100000000, 0.0001339300000000 ] - [ 0.0000000000000000, 0.0000722900000000, 0.0001601700000000 ] - [ 0.0000513200000000, 0.0001473200000000, 0.0001521900000000 ] - [ -0.0000513200000000, 0.0001473200000000, 0.0001521900000000 ] - [ 0.0000000000000000, 0.0000633500000000, 0.0001325500000000 ] - [ 0.0000000000000000, 0.0001873800000000, 0.0000907700000000 ] - [ -0.0000262900000000, 0.0001352700000000, 0.0001226100000000 ] - [ 0.0000262900000000, 0.0001352700000000, 0.0001226100000000 ] - [ 0.0000000000000000, 0.0009953700000000, 0.0004360000000000 ] - [ -0.0001166500000000, 0.0002020100000000, 0.0001700200000000 ] - [ 0.0001166500000000, 0.0002020100000000, 0.0001700200000000 ] - [ 0.0001001400000000, -0.0001503000000000, -0.0002100900000000 ] - [ -0.0001001400000000, -0.0001503000000000, -0.0002100900000000 ] - [ 0.0000000000000000, -0.0001467700000000, -0.0001930000000000 ] - [ 0.0003902100000000, -0.0000230600000000, 0.0000513000000000 ] - [ -0.0003902100000000, -0.0000230600000000, 0.0000513000000000 ] - [ 0.0000000000000000, -0.0001861000000000, -0.0000978700000000 ] - [ 0.0000000000000000, 0.0009136600000000, -0.0000247200000000 ] - [ 0.0001008500000000, 0.0003550600000000, -0.0000668600000000 ] - [ -0.0001008500000000, 0.0003550600000000, -0.0000668600000000 ] - [ 0.0000000000000000, 0.0002847300000000, -0.0001482700000000 ] - [ 0.0000064100000000, 0.0002495800000000, -0.0001679000000000 ] - [ -0.0000064100000000, 0.0002495800000000, -0.0001679000000000 ] - [ 0.0000000000000000, 0.0037473600000000, -0.0014899600000000 ] - [ -0.0002119800000000, -0.0000531500000000, 0.0000251600000000 ] - [ 0.0002119800000000, -0.0000531500000000, 0.0000251600000000 ] - [ 0.0000000000000000, -0.0000473900000000, 0.0001193500000000 ] - [ -0.0000471800000000, -0.0000673800000000, -0.0000710200000000 ] - [ 0.0000471800000000, -0.0000673800000000, -0.0000710200000000 ] - [ -0.0000383900000000, 0.0002455400000000, 0.0000334200000000 ] - [ 0.0000383900000000, 0.0002455400000000, 0.0000334200000000 ] - [ 0.0000000000000000, 0.0001367300000000, -0.0000321200000000 ] - [ -0.0000458100000000, 0.0002883100000000, -0.0001878500000000 ] - [ 0.0000458100000000, 0.0002883100000000, -0.0001878500000000 ] - [ 0.0000000000000000, 0.0002029800000000, -0.0001646100000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0017858700000000, 0.0023918000000000 ] - [ 0.0007521900000000, -0.0002738600000000, 0.0008802700000000 ] - [ -0.0007521900000000, -0.0002738600000000, 0.0008802700000000 ] - [ 0.0000000000000000, 0.0000315400000000, 0.0000211400000000 ] - [ 0.0001370400000000, -0.0001730200000000, 0.0002717000000000 ] - [ -0.0001370400000000, -0.0001730200000000, 0.0002717000000000 ] - [ -0.0001025500000000, -0.0007015600000000, 0.0001920400000000 ] - [ 0.0001025500000000, -0.0007015600000000, 0.0001920400000000 ] - [ 0.0000000000000000, -0.0002356200000000, 0.0003909400000000 ] - [ 0.0000225300000000, -0.0033557900000000, -0.0002148600000000 ] - [ -0.0000225300000000, -0.0033557900000000, -0.0002148600000000 ] - [ 0.0000000000000000, -0.0001971200000000, 0.0002473900000000 ] - [ 0.0009983500000000, 0.0007198200000000, 0.0000226100000000 ] - [ -0.0009983500000000, 0.0007198200000000, 0.0000226100000000 ] - [ 0.0000000000000000, 0.0001360700000000, 0.0003252100000000 ] - [ 0.0002164100000000, 0.0002031600000000, 0.0005594600000000 ] - [ -0.0002164100000000, 0.0002031600000000, 0.0005594600000000 ] - [ 0.0000000000000000, 0.0000772100000000, 0.0003697300000000 ] - [ 0.0000000000000000, 0.0005006800000000, 0.0004439100000000 ] - [ 0.0000029700000000, 0.0002680400000000, 0.0003996200000000 ] - [ -0.0000029700000000, 0.0002680400000000, 0.0003996200000000 ] - [ 0.0000000000000000, 0.0007965700000000, 0.0003792300000000 ] - [ -0.0000153000000000, 0.0004296200000000, 0.0003707000000000 ] - [ 0.0000153000000000, 0.0004296200000000, 0.0003707000000000 ] - [ 0.0000000000000000, -0.0136686700000000, 0.0112430300000000 ] - [ -0.0007480000000000, -0.0003422900000000, 0.0002350400000000 ] - [ 0.0007480000000000, -0.0003422900000000, 0.0002350400000000 ] - [ 0.0000000000000000, -0.0009239500000000, 0.0007216400000000 ] - [ -0.0000939300000000, 0.0000018400000000, 0.0000443900000000 ] - [ 0.0000939300000000, 0.0000018400000000, 0.0000443900000000 ] - [ -0.0001051000000000, 0.0000478100000000, 0.0003364500000000 ] - [ 0.0001051000000000, 0.0000478100000000, 0.0003364500000000 ] - [ 0.0000000000000000, -0.0000225600000000, 0.0001183400000000 ] - [ -0.0002438700000000, 0.0008919300000000, -0.0007257400000000 ] - [ 0.0002438700000000, 0.0008919300000000, -0.0007257400000000 ] - [ 0.0000000000000000, -0.0000976100000000, -0.0000814600000000 ] - [ -0.0002204600000000, 0.0006828400000000, 0.0001274100000000 ] - [ 0.0002204600000000, 0.0006828400000000, 0.0001274100000000 ] - [ 0.0000000000000000, 0.0002587300000000, 0.0000635200000000 ] - [ 0.0000005300000000, 0.0002656700000000, -0.0000226400000000 ] - [ -0.0000005300000000, 0.0002656700000000, -0.0000226400000000 ] - [ 0.0000000000000000, 0.0001599100000000, -0.0000192800000000 ] - [ 0.0000000000000000, 0.0000934000000000, -0.0002595100000000 ] - [ -0.0000844500000000, 0.0000238100000000, -0.0000390300000000 ] - [ 0.0000844500000000, 0.0000238100000000, -0.0000390300000000 ] - [ 0.0000000000000000, 0.0015588500000000, 0.0015177800000000 ] - [ -0.0003491000000000, -0.0000725400000000, 0.0002044500000000 ] - [ 0.0003491000000000, -0.0000725400000000, 0.0002044500000000 ] - [ 0.0000000000000000, 0.0239466600000000, -0.0144035100000000 ] - [ -0.0000346300000000, 0.0006642600000000, -0.0004389900000000 ] - [ 0.0000346300000000, 0.0006642600000000, -0.0004389900000000 ] - [ 0.0000000000000000, 0.0005073900000000, -0.0002274500000000 ] - [ 0.0000006200000000, 0.0003489100000000, -0.0003404200000000 ] - [ -0.0000006200000000, 0.0003489100000000, -0.0003404200000000 ] - [ 0.0002726900000000, -0.0002096700000000, -0.0007470900000000 ] - [ -0.0002726900000000, -0.0002096700000000, -0.0007470900000000 ] - [ 0.0000000000000000, -0.0001434300000000, -0.0005337200000000 ] - [ 0.0000237600000000, -0.0002095700000000, -0.0000120300000000 ] - [ -0.0000237600000000, -0.0002095700000000, -0.0000120300000000 ] - [ 0.0000000000000000, -0.0001435700000000, -0.0002825400000000 ] - [ 0.0000000000000000, 0.0007892000000000, -0.0009118400000000 ] - [ 0.0000718800000000, 0.0002208600000000, 0.0001623500000000 ] - [ -0.0000718800000000, 0.0002208600000000, 0.0001623500000000 ] - [ 0.0000000000000000, 0.0007115500000000, 0.0010628300000000 ] - [ 0.0002363300000000, 0.0001281400000000, 0.0000480200000000 ] - [ -0.0002363300000000, 0.0001281400000000, 0.0000480200000000 ] - [ 0.0000384800000000, 0.0001815200000000, 0.0000861500000000 ] - [ -0.0000384800000000, 0.0001815200000000, 0.0000861500000000 ] - [ 0.0000000000000000, 0.0001359400000000, 0.0001131100000000 ] - [ 0.0026365000000000, -0.0013983300000000, 0.0005050700000000 ] - [ -0.0026365000000000, -0.0013983300000000, 0.0005050700000000 ] - [ 0.0000000000000000, 0.0001712900000000, 0.0001909900000000 ] - [ 0.0000000000000000, -0.0002325100000000, -0.0002731200000000 ] - [ -0.0000531800000000, -0.0001931900000000, -0.0002043100000000 ] - [ 0.0000531800000000, -0.0001931900000000, -0.0002043100000000 ] - [ 0.0000000000000000, -0.0006143500000000, 0.0002230300000000 ] - [ -0.0003017300000000, -0.0004025000000000, -0.0000159600000000 ] - [ 0.0003017300000000, -0.0004025000000000, -0.0000159600000000 ] - [ -0.0012537400000000, 0.0000843000000000, 0.0008944800000000 ] - [ 0.0012537400000000, 0.0000843000000000, 0.0008944800000000 ] - [ 0.0000000000000000, 0.0002944200000000, -0.0001803600000000 ] - [ -0.0001704900000000, 0.0003883000000000, -0.0002511200000000 ] - [ 0.0001704900000000, 0.0003883000000000, -0.0002511200000000 ] - [ 0.0000000000000000, 0.0001899500000000, -0.0001230500000000 ] - [ 0.0002649600000000, -0.0005946000000000, -0.0002695900000000 ] - [ -0.0002649600000000, -0.0005946000000000, -0.0002695900000000 ] - [ 0.0000000000000000, -0.0001392000000000, -0.0000716100000000 ] - [ 0.0000333700000000, -0.0001028100000000, -0.0000445000000000 ] - [ -0.0000333700000000, -0.0001028100000000, -0.0000445000000000 ] - [ 0.0000000000000000, -0.0000831300000000, -0.0000586200000000 ] - [ 0.0000000000000000, 0.0004164200000000, 0.0005041500000000 ] - [ 0.0001766400000000, 0.0001590500000000, 0.0000618900000000 ] - [ -0.0001766400000000, 0.0001590500000000, 0.0000618900000000 ] - [ 0.0000000000000000, -0.0004708300000000, -0.0026960000000000 ] - [ -0.0000239900000000, 0.0002851700000000, -0.0000634100000000 ] - [ 0.0000239900000000, 0.0002851700000000, -0.0000634100000000 ] - [ -0.0000472300000000, -0.0000836200000000, -0.0003230000000000 ] - [ 0.0000472300000000, -0.0000836200000000, -0.0003230000000000 ] - [ 0.0000000000000000, 0.0001131600000000, -0.0003413800000000 ] - [ -0.0000118300000000, 0.0001363800000000, -0.0003749300000000 ] - [ 0.0000118300000000, 0.0001363800000000, -0.0003749300000000 ] - [ 0.0000000000000000, 0.0001816500000000, -0.0003567700000000 ] - [ 0.0000000000000000, -0.0006113900000000, -0.0000149300000000 ] - [ 0.0000990800000000, -0.0003260600000000, -0.0002521000000000 ] - [ -0.0000990800000000, -0.0003260600000000, -0.0002521000000000 ] - [ 0.0000000000000000, -0.0006106300000000, -0.0004732500000000 ] - [ 0.0000760800000000, -0.0003261700000000, -0.0004036900000000 ] - [ -0.0000760800000000, -0.0003261700000000, -0.0004036900000000 ] - [ 0.0000222800000000, -0.0003523900000000, 0.0001456700000000 ] - [ -0.0000222800000000, -0.0003523900000000, 0.0001456700000000 ] - [ 0.0000000000000000, -0.0001794000000000, 0.0001188100000000 ] - [ -0.0000516300000000, -0.0002543700000000, 0.0001263400000000 ] - [ 0.0000516300000000, -0.0002543700000000, 0.0001263400000000 ] - [ 0.0000000000000000, -0.0001703200000000, 0.0001461300000000 ] - [ 0.0000000000000000, -0.0000791900000000, 0.0001888900000000 ] - [ 0.0000263600000000, -0.0000272500000000, 0.0001563400000000 ] - [ -0.0000263600000000, -0.0000272500000000, 0.0001563400000000 ] - [ 0.0000000000000000, -0.0008916700000000, -0.0001596900000000 ] - [ 0.0001172700000000, -0.0000935900000000, 0.0001082900000000 ] - [ -0.0001172700000000, -0.0000935900000000, 0.0001082900000000 ] - [ -0.0001000300000000, -0.0001876400000000, -0.0000864500000000 ] - [ 0.0001000300000000, -0.0001876400000000, -0.0000864500000000 ] - [ 0.0000000000000000, -0.0001916200000000, -0.0001034900000000 ] - [ -0.0003902200000000, -0.0003132100000000, -0.0003490000000000 ] - [ 0.0003902200000000, -0.0003132100000000, -0.0003490000000000 ] - [ 0.0000000000000000, -0.0001522500000000, -0.0001989500000000 ] - [ 0.0000000000000000, -0.0005683900000000, -0.0002721900000000 ] - [ -0.0000998600000000, -0.0000158600000000, -0.0002295800000000 ] - [ 0.0000998600000000, -0.0000158600000000, -0.0002295800000000 ] - [ 0.0000000000000000, 0.0000541400000000, -0.0001492000000000 ] - [ -0.0000062500000000, 0.0000893500000000, -0.0001293300000000 ] - [ 0.0000062500000000, 0.0000893500000000, -0.0001293300000000 ] - [ 0.0000000000000000, -0.0039218400000000, 0.0013960500000000 ] - [ 0.0002113200000000, -0.0000757700000000, -0.0001396900000000 ] - [ -0.0002113200000000, -0.0000757700000000, -0.0001396900000000 ] - [ 0.0000000000000000, -0.0000820600000000, -0.0002352900000000 ] - [ 0.0000471900000000, -0.0000624800000000, -0.0000438900000000 ] - [ -0.0000471900000000, -0.0000624800000000, -0.0000438900000000 ] - [ 0.0000377600000000, -0.0001150200000000, -0.0001474500000000 ] - [ -0.0000377600000000, -0.0001150200000000, -0.0001474500000000 ] - [ 0.0000000000000000, -0.0000063100000000, -0.0000826300000000 ] - [ 0.0000453300000000, -0.0001579600000000, 0.0000717800000000 ] - [ -0.0000453300000000, -0.0001579600000000, 0.0000717800000000 ] - [ 0.0000000000000000, -0.0000722800000000, 0.0000488000000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0033621700000000, 0.0031724300000000 ] - [ -0.0001599900000000, -0.0000734100000000, 0.0007075400000000 ] - [ 0.0001599900000000, -0.0000734100000000, 0.0007075400000000 ] - [ 0.0000000000000000, 0.0004677500000000, -0.0004121600000000 ] - [ 0.0000056500000000, 0.0001887100000000, 0.0000168200000000 ] - [ -0.0000056500000000, 0.0001887100000000, 0.0000168200000000 ] - [ 0.0011716700000000, 0.0000589300000000, -0.0006437100000000 ] - [ -0.0011716700000000, 0.0000589300000000, -0.0006437100000000 ] - [ 0.0000000000000000, -0.0000854500000000, 0.0000626100000000 ] - [ 0.0026275000000000, 0.0007213200000000, 0.0058227700000000 ] - [ -0.0026275000000000, 0.0007213200000000, 0.0058227700000000 ] - [ 0.0000000000000000, 0.0000993000000000, 0.0007955600000000 ] - [ 0.0001273200000000, 0.0003758200000000, 0.0005748700000000 ] - [ -0.0001273200000000, 0.0003758200000000, 0.0005748700000000 ] - [ 0.0000000000000000, 0.0000549900000000, 0.0004643600000000 ] - [ -0.0000939900000000, -0.0003117100000000, 0.0001075100000000 ] - [ 0.0000939900000000, -0.0003117100000000, 0.0001075100000000 ] - [ 0.0000000000000000, -0.0001676500000000, 0.0002426900000000 ] - [ 0.0000000000000000, -0.0000154800000000, 0.0002139600000000 ] - [ -0.0000541500000000, 0.0000325900000000, 0.0002897400000000 ] - [ 0.0000541500000000, 0.0000325900000000, 0.0002897400000000 ] - [ 0.0000000000000000, -0.0000154000000000, 0.0005717100000000 ] - [ -0.0000098300000000, 0.0000135600000000, 0.0004631100000000 ] - [ 0.0000098300000000, 0.0000135600000000, 0.0004631100000000 ] - [ 0.0000000000000000, -0.0118914900000000, 0.0216876100000000 ] - [ -0.0010201800000000, -0.0001982600000000, 0.0005580800000000 ] - [ 0.0010201800000000, -0.0001982600000000, 0.0005580800000000 ] - [ 0.0000000000000000, -0.0002053400000000, -0.0015274700000000 ] - [ 0.0002957600000000, -0.0000922600000000, -0.0005288300000000 ] - [ -0.0002957600000000, -0.0000922600000000, -0.0005288300000000 ] - [ 0.0001491200000000, -0.0002950400000000, -0.0003500200000000 ] - [ -0.0001491200000000, -0.0002950400000000, -0.0003500200000000 ] - [ 0.0000000000000000, -0.0000390000000000, -0.0000408800000000 ] - [ -0.0001037400000000, 0.0003322700000000, 0.0003360300000000 ] - [ 0.0001037400000000, 0.0003322700000000, 0.0003360300000000 ] - [ 0.0000000000000000, 0.0000498600000000, 0.0001764100000000 ] - [ 0.0001125500000000, 0.0000289100000000, 0.0001417000000000 ] - [ -0.0001125500000000, 0.0000289100000000, 0.0001417000000000 ] - [ 0.0000000000000000, 0.0000674000000000, 0.0000958500000000 ] - [ 0.0000041400000000, 0.0000526900000000, -0.0000394400000000 ] - [ -0.0000041400000000, 0.0000526900000000, -0.0000394400000000 ] - [ 0.0000000000000000, 0.0000573100000000, -0.0000070100000000 ] - [ 0.0000000000000000, 0.0004709500000000, -0.0004711200000000 ] - [ -0.0000714300000000, 0.0001387600000000, -0.0002270300000000 ] - [ 0.0000714300000000, 0.0001387600000000, -0.0002270300000000 ] - [ 0.0000000000000000, -0.0012383700000000, 0.0010659600000000 ] - [ 0.0000754800000000, -0.0003148000000000, 0.0003890900000000 ] - [ -0.0000754800000000, -0.0003148000000000, 0.0003890900000000 ] - [ 0.0000000000000000, 0.0143947200000000, -0.0441391800000000 ] - [ -0.0001608100000000, 0.0003423600000000, -0.0008834700000000 ] - [ 0.0001608100000000, 0.0003423600000000, -0.0008834700000000 ] - [ 0.0000000000000000, 0.0001295700000000, 0.0005590300000000 ] - [ 0.0000844700000000, 0.0002441000000000, 0.0000100300000000 ] - [ -0.0000844700000000, 0.0002441000000000, 0.0000100300000000 ] - [ -0.0004150200000000, 0.0000838300000000, -0.0002806400000000 ] - [ 0.0004150200000000, 0.0000838300000000, -0.0002806400000000 ] - [ 0.0000000000000000, -0.0001859000000000, -0.0003564700000000 ] - [ 0.0000931800000000, -0.0006512400000000, -0.0002794500000000 ] - [ -0.0000931800000000, -0.0006512400000000, -0.0002794500000000 ] - [ 0.0000000000000000, -0.0004375300000000, -0.0003559200000000 ] - [ 0.0000000000000000, 0.0013886500000000, 0.0058866900000000 ] - [ 0.0002349500000000, 0.0000069200000000, 0.0000741900000000 ] - [ -0.0002349500000000, 0.0000069200000000, 0.0000741900000000 ] - [ 0.0000000000000000, 0.0003222900000000, 0.0016861400000000 ] - [ -0.0006617200000000, -0.0002928000000000, 0.0005937700000000 ] - [ 0.0006617200000000, -0.0002928000000000, 0.0005937700000000 ] - [ -0.0000353300000000, 0.0001463300000000, 0.0004336500000000 ] - [ 0.0000353300000000, 0.0001463300000000, 0.0004336500000000 ] - [ 0.0000000000000000, 0.0000741100000000, 0.0002476200000000 ] - [ 0.0002709400000000, 0.0000816700000000, -0.0008060400000000 ] - [ -0.0002709400000000, 0.0000816700000000, -0.0008060400000000 ] - [ 0.0000000000000000, -0.0000260100000000, 0.0000429800000000 ] - [ 0.0000000000000000, -0.0000421200000000, 0.0000671400000000 ] - [ 0.0000730300000000, -0.0001314800000000, -0.0000261000000000 ] - [ -0.0000730300000000, -0.0001314800000000, -0.0000261000000000 ] - [ 0.0000000000000000, -0.0003287000000000, -0.0005281300000000 ] - [ 0.0000170500000000, -0.0002381800000000, -0.0002465200000000 ] - [ -0.0000170500000000, -0.0002381800000000, -0.0002465200000000 ] - [ -0.0018426100000000, -0.0008116300000000, 0.0006266800000000 ] - [ 0.0018426100000000, -0.0008116300000000, 0.0006266800000000 ] - [ 0.0000000000000000, 0.0002213000000000, -0.0002766600000000 ] - [ 0.0004859100000000, 0.0003206500000000, 0.0004857600000000 ] - [ -0.0004859100000000, 0.0003206500000000, 0.0004857600000000 ] - [ 0.0000000000000000, 0.0002446500000000, 0.0000677600000000 ] - [ -0.0000761900000000, -0.0001338700000000, -0.0002954500000000 ] - [ 0.0000761900000000, -0.0001338700000000, -0.0002954500000000 ] - [ 0.0000000000000000, -0.0000790000000000, -0.0001148100000000 ] - [ -0.0000083400000000, -0.0000838200000000, 0.0000812600000000 ] - [ 0.0000083400000000, -0.0000838200000000, 0.0000812600000000 ] - [ 0.0000000000000000, -0.0000929900000000, 0.0000174900000000 ] - [ 0.0000000000000000, -0.0005963800000000, 0.0007725200000000 ] - [ 0.0003769900000000, -0.0000550900000000, 0.0001655600000000 ] - [ -0.0003769900000000, -0.0000550900000000, 0.0001655600000000 ] - [ 0.0000000000000000, 0.0009261100000000, 0.0015904500000000 ] - [ -0.0004965900000000, 0.0004830300000000, -0.0000127700000000 ] - [ 0.0004965900000000, 0.0004830300000000, -0.0000127700000000 ] - [ -0.0000287300000000, 0.0002267500000000, -0.0004202000000000 ] - [ 0.0000287300000000, 0.0002267500000000, -0.0004202000000000 ] - [ 0.0000000000000000, 0.0002450000000000, -0.0003893100000000 ] - [ -0.0000077000000000, 0.0002788000000000, -0.0002892200000000 ] - [ 0.0000077000000000, 0.0002788000000000, -0.0002892200000000 ] - [ 0.0000000000000000, 0.0002604900000000, -0.0003112200000000 ] - [ 0.0000000000000000, -0.0003755800000000, -0.0003575300000000 ] - [ 0.0000429300000000, -0.0003073200000000, -0.0003471000000000 ] - [ -0.0000429300000000, -0.0003073200000000, -0.0003471000000000 ] - [ 0.0000000000000000, 0.0000794300000000, -0.0003555300000000 ] - [ -0.0000176200000000, -0.0001564100000000, -0.0003464400000000 ] - [ 0.0000176200000000, -0.0001564100000000, -0.0003464400000000 ] - [ -0.0000367500000000, -0.0000621300000000, 0.0001493300000000 ] - [ 0.0000367500000000, -0.0000621300000000, 0.0001493300000000 ] - [ 0.0000000000000000, -0.0000727100000000, 0.0001266500000000 ] - [ 0.0000200700000000, -0.0000032800000000, 0.0001576000000000 ] - [ -0.0000200700000000, -0.0000032800000000, 0.0001576000000000 ] - [ 0.0000000000000000, -0.0000334200000000, 0.0001523400000000 ] - [ 0.0000000000000000, 0.0000980900000000, 0.0002834000000000 ] - [ 0.0000091100000000, 0.0000860800000000, 0.0002361600000000 ] - [ -0.0000091100000000, 0.0000860800000000, 0.0002361600000000 ] - [ 0.0000000000000000, -0.0001647200000000, -0.0000961900000000 ] - [ 0.0000074000000000, 0.0000322600000000, 0.0000202500000000 ] - [ -0.0000074000000000, 0.0000322600000000, 0.0000202500000000 ] - [ -0.0001133300000000, -0.0002919500000000, 0.0000664600000000 ] - [ 0.0001133300000000, -0.0002919500000000, 0.0000664600000000 ] - [ 0.0000000000000000, -0.0002452700000000, -0.0000064600000000 ] - [ 0.0000843800000000, 0.0000999700000000, -0.0004581100000000 ] - [ -0.0000843800000000, 0.0000999700000000, -0.0004581100000000 ] - [ 0.0000000000000000, -0.0000561500000000, -0.0003217100000000 ] - [ 0.0000000000000000, 0.0003482700000000, -0.0001569600000000 ] - [ 0.0000225700000000, 0.0001600700000000, -0.0001778500000000 ] - [ -0.0000225700000000, 0.0001600700000000, -0.0001778500000000 ] - [ 0.0000000000000000, 0.0001538500000000, -0.0001220400000000 ] - [ 0.0000032400000000, 0.0001624900000000, -0.0001255500000000 ] - [ -0.0000032400000000, 0.0001624900000000, -0.0001255500000000 ] - [ 0.0000000000000000, -0.0009248900000000, -0.0008489400000000 ] - [ 0.0001976000000000, -0.0001705000000000, -0.0003496800000000 ] - [ -0.0001976000000000, -0.0001705000000000, -0.0003496800000000 ] - [ 0.0000000000000000, -0.0000110900000000, 0.0004387600000000 ] - [ -0.0000513600000000, 0.0000321400000000, 0.0001563900000000 ] - [ 0.0000513600000000, 0.0000321400000000, 0.0001563900000000 ] - [ -0.0000475200000000, 0.0001553700000000, -0.0000147500000000 ] - [ 0.0000475200000000, 0.0001553700000000, -0.0000147500000000 ] - [ 0.0000000000000000, 0.0000716300000000, -0.0000537900000000 ] - [ -0.0000060000000000, 0.0000100800000000, -0.0001020800000000 ] - [ 0.0000060000000000, 0.0000100800000000, -0.0001020800000000 ] - [ 0.0000000000000000, 0.0000245500000000, -0.0000664300000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0033353300000000, -0.0023965700000000 ] - [ 0.0001610800000000, 0.0000253800000000, 0.0000425400000000 ] - [ -0.0001610800000000, 0.0000253800000000, 0.0000425400000000 ] - [ 0.0000000000000000, -0.0005201700000000, 0.0011619000000000 ] - [ -0.0000061000000000, -0.0002372600000000, 0.0007310400000000 ] - [ 0.0000061000000000, -0.0002372600000000, 0.0007310400000000 ] - [ -0.0011677100000000, -0.0000059500000000, 0.0013982500000000 ] - [ 0.0011677100000000, -0.0000059500000000, 0.0013982500000000 ] - [ 0.0000000000000000, 0.0001333500000000, 0.0006870400000000 ] - [ -0.0027761600000000, -0.0006926800000000, -0.0051632200000000 ] - [ 0.0027761600000000, -0.0006926800000000, -0.0051632200000000 ] - [ 0.0000000000000000, -0.0000528600000000, -0.0000497200000000 ] - [ -0.0001344800000000, -0.0004268200000000, 0.0001748200000000 ] - [ 0.0001344800000000, -0.0004268200000000, 0.0001748200000000 ] - [ 0.0000000000000000, -0.0001027400000000, 0.0002837700000000 ] - [ 0.0000939200000000, 0.0002658400000000, 0.0006402500000000 ] - [ -0.0000939200000000, 0.0002658400000000, 0.0006402500000000 ] - [ 0.0000000000000000, 0.0001203700000000, 0.0005056200000000 ] - [ 0.0000000000000000, 0.0000608400000000, 0.0005355700000000 ] - [ 0.0000543200000000, 0.0000145000000000, 0.0004591400000000 ] - [ -0.0000543200000000, 0.0000145000000000, 0.0004591400000000 ] - [ 0.0000000000000000, 0.0000609700000000, 0.0001745100000000 ] - [ 0.0000099000000000, 0.0000341200000000, 0.0002842300000000 ] - [ -0.0000099000000000, 0.0000341200000000, 0.0002842300000000 ] - [ 0.0000000000000000, 0.0112855900000000, -0.0208414700000000 ] - [ 0.0010249700000000, 0.0002882000000000, -0.0004672500000000 ] - [ -0.0010249700000000, 0.0002882000000000, -0.0004672500000000 ] - [ 0.0000000000000000, 0.0002993000000000, 0.0016166500000000 ] - [ -0.0002982700000000, 0.0001820900000000, 0.0006213200000000 ] - [ 0.0002982700000000, 0.0001820900000000, 0.0006213200000000 ] - [ -0.0001476700000000, 0.0002047100000000, 0.0004410600000000 ] - [ 0.0001476700000000, 0.0002047100000000, 0.0004410600000000 ] - [ 0.0000000000000000, -0.0000497200000000, 0.0001325100000000 ] - [ 0.0001071300000000, -0.0004203200000000, -0.0002489500000000 ] - [ -0.0001071300000000, -0.0004203200000000, -0.0002489500000000 ] - [ 0.0000000000000000, -0.0001390700000000, -0.0000863100000000 ] - [ -0.0001127900000000, 0.0000594600000000, -0.0000502800000000 ] - [ 0.0001127900000000, 0.0000594600000000, -0.0000502800000000 ] - [ 0.0000000000000000, 0.0000218900000000, -0.0000050800000000 ] - [ -0.0000040900000000, 0.0000358400000000, 0.0001297700000000 ] - [ 0.0000040900000000, 0.0000358400000000, 0.0001297700000000 ] - [ 0.0000000000000000, 0.0000317700000000, 0.0000972900000000 ] - [ 0.0000000000000000, -0.0005599700000000, 0.0005667400000000 ] - [ 0.0000718400000000, -0.0002270500000000, 0.0003192000000000 ] - [ -0.0000718400000000, -0.0002270500000000, 0.0003192000000000 ] - [ 0.0000000000000000, 0.0011443500000000, -0.0009899500000000 ] - [ -0.0000733800000000, 0.0002282800000000, -0.0003005300000000 ] - [ 0.0000733800000000, 0.0002282800000000, -0.0003005300000000 ] - [ 0.0000000000000000, -0.0131684900000000, 0.0428248700000000 ] - [ 0.0001598900000000, 0.0001712700000000, 0.0001783100000000 ] - [ -0.0001598900000000, 0.0001712700000000, 0.0001783100000000 ] - [ 0.0000000000000000, 0.0003817500000000, -0.0012665800000000 ] - [ -0.0000838900000000, 0.0002692500000000, -0.0007170700000000 ] - [ 0.0000838900000000, 0.0002692500000000, -0.0007170700000000 ] - [ 0.0004142500000000, -0.0005975600000000, -0.0004271300000000 ] - [ -0.0004142500000000, -0.0005975600000000, -0.0004271300000000 ] - [ 0.0000000000000000, -0.0003275000000000, -0.0003505100000000 ] - [ -0.0000940700000000, 0.0001393800000000, -0.0004259500000000 ] - [ 0.0000940700000000, 0.0001393800000000, -0.0004259500000000 ] - [ 0.0000000000000000, -0.0000753100000000, -0.0003499600000000 ] - [ 0.0000000000000000, -0.0014803500000000, -0.0055506800000000 ] - [ -0.0002351500000000, -0.0001145400000000, 0.0002039400000000 ] - [ 0.0002351500000000, -0.0001145400000000, 0.0002039400000000 ] - [ 0.0000000000000000, -0.0004364800000000, -0.0014160300000000 ] - [ 0.0006629000000000, 0.0001868500000000, -0.0003161500000000 ] - [ -0.0006629000000000, 0.0001868500000000, -0.0003161500000000 ] - [ 0.0000344000000000, -0.0000388400000000, -0.0001547600000000 ] - [ -0.0000344000000000, -0.0000388400000000, -0.0001547600000000 ] - [ 0.0000000000000000, 0.0000332100000000, 0.0000308900000000 ] - [ -0.0002608100000000, 0.0000143000000000, 0.0010901800000000 ] - [ 0.0002608100000000, 0.0000143000000000, 0.0010901800000000 ] - [ 0.0000000000000000, 0.0001333200000000, 0.0002362900000000 ] - [ 0.0000000000000000, -0.0002958200000000, -0.0003638700000000 ] - [ -0.0000726900000000, -0.0002074700000000, -0.0002706300000000 ] - [ 0.0000726900000000, -0.0002074700000000, -0.0002706300000000 ] - [ 0.0000000000000000, -0.0000078200000000, 0.0002320800000000 ] - [ -0.0000178800000000, -0.0001019800000000, -0.0000493700000000 ] - [ 0.0000178800000000, -0.0001019800000000, -0.0000493700000000 ] - [ 0.0018421600000000, 0.0011496100000000, -0.0009310100000000 ] - [ -0.0018421600000000, 0.0011496100000000, -0.0009310100000000 ] - [ 0.0000000000000000, 0.0001175300000000, -0.0000204500000000 ] - [ -0.0004910500000000, 0.0000170700000000, -0.0007846000000000 ] - [ 0.0004910500000000, 0.0000170700000000, -0.0007846000000000 ] - [ 0.0000000000000000, 0.0000941900000000, -0.0003653600000000 ] - [ 0.0000756600000000, 0.0000017200000000, 0.0001794600000000 ] - [ -0.0000756600000000, 0.0000017200000000, 0.0001794600000000 ] - [ 0.0000000000000000, -0.0000520100000000, -0.0000003400000000 ] - [ 0.0000079400000000, -0.0000465300000000, -0.0001964000000000 ] - [ -0.0000079400000000, -0.0000465300000000, -0.0001964000000000 ] - [ 0.0000000000000000, -0.0000377800000000, -0.0001326700000000 ] - [ 0.0000000000000000, 0.0007275300000000, -0.0008960100000000 ] - [ -0.0003768800000000, 0.0001851700000000, -0.0002821600000000 ] - [ 0.0003768800000000, 0.0001851700000000, -0.0002821600000000 ] - [ 0.0000000000000000, -0.0007985100000000, -0.0017086100000000 ] - [ 0.0004997500000000, -0.0003557800000000, -0.0001020000000000 ] - [ -0.0004997500000000, -0.0003557800000000, -0.0001020000000000 ] - [ 0.0000291300000000, 0.0002873100000000, -0.0002859200000000 ] - [ -0.0000291300000000, 0.0002873100000000, -0.0002859200000000 ] - [ 0.0000000000000000, 0.0002684600000000, -0.0003169600000000 ] - [ 0.0000077900000000, 0.0002347300000000, -0.0004172800000000 ] - [ -0.0000077900000000, 0.0002347300000000, -0.0004172800000000 ] - [ 0.0000000000000000, 0.0002528200000000, -0.0003952700000000 ] - [ 0.0000000000000000, -0.0001357100000000, -0.0003514600000000 ] - [ -0.0000435800000000, -0.0002062500000000, -0.0003600300000000 ] - [ 0.0000435800000000, -0.0002062500000000, -0.0003600300000000 ] - [ 0.0000000000000000, -0.0005939800000000, -0.0003494700000000 ] - [ 0.0000172800000000, -0.0003575900000000, -0.0003593700000000 ] - [ -0.0000172800000000, -0.0003575900000000, -0.0003593700000000 ] - [ 0.0000370800000000, -0.0000442400000000, 0.0001290100000000 ] - [ -0.0000370800000000, -0.0000442400000000, 0.0001290100000000 ] - [ 0.0000000000000000, -0.0000344400000000, 0.0001521500000000 ] - [ -0.0000199800000000, -0.0001040300000000, 0.0001217100000000 ] - [ 0.0000199800000000, -0.0001040300000000, 0.0001217100000000 ] - [ 0.0000000000000000, -0.0000740500000000, 0.0001268300000000 ] - [ 0.0000000000000000, 0.0000088200000000, -0.0000054300000000 ] - [ -0.0000091400000000, 0.0000207700000000, 0.0000423500000000 ] - [ 0.0000091400000000, 0.0000207700000000, 0.0000423500000000 ] - [ 0.0000000000000000, 0.0002772200000000, 0.0003776000000000 ] - [ -0.0000082300000000, 0.0000749600000000, 0.0002593900000000 ] - [ 0.0000082300000000, 0.0000749600000000, 0.0002593900000000 ] - [ 0.0001138300000000, -0.0000477300000000, -0.0003641700000000 ] - [ -0.0001138300000000, -0.0000477300000000, -0.0003641700000000 ] - [ 0.0000000000000000, -0.0000942700000000, -0.0002904300000000 ] - [ -0.0000824200000000, -0.0004391300000000, 0.0001643300000000 ] - [ 0.0000824200000000, -0.0004391300000000, 0.0001643300000000 ] - [ 0.0000000000000000, -0.0002841500000000, 0.0000262700000000 ] - [ 0.0000000000000000, -0.0000090900000000, -0.0001405800000000 ] - [ -0.0000228700000000, 0.0001791900000000, -0.0001193700000000 ] - [ 0.0000228700000000, 0.0001791900000000, -0.0001193700000000 ] - [ 0.0000000000000000, 0.0001858400000000, -0.0001744300000000 ] - [ -0.0000031300000000, 0.0001768600000000, -0.0001710600000000 ] - [ 0.0000031300000000, 0.0001768600000000, -0.0001710600000000 ] - [ 0.0000000000000000, 0.0008152500000000, 0.0007202400000000 ] - [ -0.0001986800000000, 0.0000391600000000, 0.0002350200000000 ] - [ 0.0001986800000000, 0.0000391600000000, 0.0002350200000000 ] - [ 0.0000000000000000, -0.0001214000000000, -0.0005545900000000 ] - [ 0.0000516200000000, -0.0001641500000000, -0.0002722800000000 ] - [ -0.0000516200000000, -0.0001641500000000, -0.0002722800000000 ] - [ 0.0000472700000000, -0.0000235100000000, -0.0001008400000000 ] - [ -0.0000472700000000, -0.0000235100000000, -0.0001008400000000 ] - [ 0.0000000000000000, 0.0000595300000000, -0.0000617700000000 ] - [ 0.0000057600000000, 0.0001214100000000, -0.0000125800000000 ] - [ -0.0000057600000000, 0.0001214100000000, -0.0000125800000000 ] - [ 0.0000000000000000, 0.0001063800000000, -0.0000482600000000 ]- atom: 61 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0039961900000000, -0.0000410000000000, 0.0003883700000000 ] - [ -0.0008491900000000, -0.0003666800000000, 0.0009677700000000 ] - [ -0.0008510900000000, 0.0003176400000000, -0.0002171500000000 ] - [ 0.0006018600000000, -0.0000234000000000, 0.0003745500000000 ] - [ -0.0002806500000000, -0.0002931500000000, 0.0001457600000000 ] - [ -0.0002824200000000, 0.0002430400000000, 0.0006003800000000 ] - [ 0.0044816200000000, 0.0024045700000000, -0.0004581300000000 ] - [ 0.0047122800000000, -0.0024615600000000, 0.0013853100000000 ] - [ -0.0012578900000000, 0.0000241200000000, 0.0003750000000000 ] - [ 0.0002758000000000, 0.0000760400000000, 0.0000516900000000 ] - [ 0.0002836900000000, -0.0000302000000000, 0.0006944500000000 ] - [ -0.0004066200000000, 0.0000234800000000, 0.0003742500000000 ] - [ 0.0002477200000000, -0.0007701700000000, 0.0002010400000000 ] - [ 0.0002517000000000, 0.0007250000000000, 0.0005458300000000 ] - [ -0.0004823200000000, -0.0000231300000000, 0.0003739800000000 ] - [ 0.0001042700000000, -0.0001051200000000, 0.0004514400000000 ] - [ 0.0001062800000000, 0.0000573500000000, 0.0002974100000000 ] - [ -0.0001982300000000, -0.0000237100000000, 0.0003742300000000 ] - [ 0.0003953600000000, 0.0000236100000000, 0.0003743300000000 ] - [ -0.0001809700000000, -0.0000281900000000, 0.0003399900000000 ] - [ -0.0001817300000000, 0.0000755700000000, 0.0004080800000000 ] - [ 0.0001760100000000, 0.0000243500000000, 0.0003741500000000 ] - [ -0.0000862800000000, 0.0000270100000000, 0.0004295000000000 ] - [ -0.0000867700000000, 0.0000211900000000, 0.0003189200000000 ] - [ 0.0056297400000000, 0.0000869500000000, 0.0000826100000000 ] - [ -0.0014073600000000, 0.0000239900000000, 0.0003712600000000 ] - [ -0.0014046800000000, 0.0000644900000000, -0.0002779900000000 ] - [ 0.0002668000000000, 0.0000454800000000, 0.0000464700000000 ] - [ -0.0001202000000000, 0.0003132400000000, -0.0003279400000000 ] - [ -0.0001214800000000, -0.0002212300000000, 0.0004153600000000 ] - [ 0.0003294400000000, 0.0007902900000000, 0.0011124300000000 ] - [ 0.0003356700000000, -0.0008769200000000, -0.0010199700000000 ] - [ -0.0005140100000000, -0.0000451100000000, 0.0000457800000000 ] - [ 0.0000686400000000, 0.0000610800000000, -0.0000783300000000 ] - [ 0.0000709800000000, -0.0001489400000000, 0.0001684100000000 ] - [ -0.0001873300000000, -0.0000447000000000, 0.0000455600000000 ] - [ 0.0000714800000000, 0.0002732400000000, -0.0000930400000000 ] - [ 0.0000724600000000, -0.0001830200000000, 0.0001847100000000 ] - [ -0.0001675400000000, 0.0000449900000000, 0.0000455900000000 ] - [ 0.0000544000000000, 0.0001270200000000, 0.0001120300000000 ] - [ 0.0000550100000000, -0.0000371100000000, -0.0000212900000000 ] - [ -0.0001109100000000, 0.0000447400000000, 0.0000453400000000 ] - [ 0.0005356100000000, -0.0000510300000000, 0.0000484000000000 ] - [ -0.0002658600000000, 0.0003049300000000, -0.0001440800000000 ] - [ -0.0002676700000000, -0.0003909800000000, 0.0002339100000000 ] - [ 0.0001754600000000, -0.0000453600000000, 0.0000456000000000 ] - [ -0.0000837400000000, 0.0000451900000000, 0.0002742400000000 ] - [ -0.0000846400000000, -0.0001337400000000, -0.0001816000000000 ] - [ -0.0011912500000000, 0.0002589000000000, -0.0003388600000000 ] - [ 0.0002177300000000, 0.0003291700000000, -0.0005887700000000 ] - [ 0.0002184600000000, 0.0001848600000000, -0.0001186700000000 ] - [ -0.0007938900000000, 0.0002588500000000, -0.0003550100000000 ] - [ 0.0009304900000000, 0.0004965000000000, 0.0003114600000000 ] - [ 0.0009242500000000, 0.0000205100000000, -0.0010131500000000 ] - [ 0.0015747800000000, -0.0028934100000000, -0.0006174700000000 ] - [ 0.0015777500000000, 0.0023940000000000, -0.0000856600000000 ] - [ 0.0003235200000000, -0.0002563200000000, -0.0003535300000000 ] - [ -0.0000540100000000, -0.0002951200000000, -0.0003178800000000 ] - [ -0.0000547800000000, -0.0002182900000000, -0.0003876000000000 ] - [ 0.0001277300000000, -0.0002566200000000, -0.0003530100000000 ] - [ -0.0223135100000000, -0.0000170200000000, -0.0000937300000000 ] - [ 0.0007265600000000, -0.0000445200000000, -0.0000586700000000 ] - [ 0.0007262300000000, -0.0000613700000000, 0.0003353400000000 ] - [ -0.0001155500000000, -0.0000534900000000, 0.0001400000000000 ] - [ 0.0000573000000000, -0.0000376200000000, 0.0002726400000000 ] - [ 0.0000584500000000, -0.0000694400000000, 0.0000078400000000 ] - [ -0.0002217800000000, -0.0003178000000000, -0.0004045300000000 ] - [ -0.0002246000000000, 0.0004273400000000, 0.0006836300000000 ] - [ 0.0002957800000000, 0.0000543400000000, 0.0001393300000000 ] - [ -0.0002210400000000, -0.0000445400000000, 0.0003455700000000 ] - [ -0.0002253400000000, 0.0001517400000000, -0.0000656900000000 ] - [ 0.0002957900000000, 0.0000536900000000, 0.0001393400000000 ] - [ -0.0004494700000000, -0.0001717900000000, -0.0001493300000000 ] - [ 0.0003212200000000, 0.0000219300000000, 0.0000423500000000 ] - [ 0.0003210400000000, -0.0003602000000000, -0.0003382400000000 ] - [ -0.0001874100000000, -0.0001704900000000, -0.0001457400000000 ] - [ 0.0001037300000000, -0.0001342700000000, -0.0002242300000000 ] - [ 0.0001047200000000, -0.0002051600000000, -0.0000722100000000 ] - [ 0.0016827000000000, 0.0024580700000000, 0.0006509000000000 ] - [ 0.0016923200000000, -0.0021353100000000, -0.0009521800000000 ] - [ 0.0004803500000000, 0.0001694600000000, -0.0001487900000000 ] - [ -0.0001160200000000, 0.0002194300000000, -0.0002346600000000 ] - [ -0.0001179400000000, 0.0001194800000000, -0.0000607200000000 ] - [ 0.0002980400000000, 0.0001690900000000, -0.0001477000000000 ] - [ -0.0002272200000000, -0.0001436700000000, 0.0001730400000000 ] - [ -0.0002294500000000, 0.0000121700000000, -0.0002893300000000 ] - [ 0.0001800100000000, -0.0000654500000000, -0.0000577200000000 ] - [ -0.0000915200000000, -0.0001810900000000, -0.0001712400000000 ] - [ -0.0000924600000000, 0.0000503900000000, 0.0000561400000000 ] - [ 0.0001924800000000, -0.0000651000000000, -0.0000572300000000 ] - [ -0.0010921000000000, 0.0000953100000000, -0.0000722900000000 ] - [ 0.0004332100000000, -0.0001640500000000, -0.0000325300000000 ] - [ 0.0004338800000000, 0.0002947900000000, -0.0000821400000000 ] - [ -0.0001428900000000, 0.0000660100000000, -0.0000570300000000 ] - [ 0.0000657400000000, 0.0000565700000000, -0.0000932700000000 ] - [ 0.0000667300000000, 0.0000747200000000, -0.0000218400000000 ] - [ -0.0000431100000000, 0.0002791800000000, -0.0003162400000000 ] - [ -0.0000435300000000, 0.0002335600000000, -0.0003900900000000 ] - [ 0.0000814400000000, 0.0002565200000000, -0.0003532300000000 ] - [ -0.0000397600000000, 0.0002052800000000, -0.0003731500000000 ] - [ -0.0000401700000000, 0.0003082200000000, -0.0003331100000000 ] - [ 0.0000786100000000, 0.0002567400000000, -0.0003531700000000 ] - [ -0.0001946100000000, -0.0002548100000000, -0.0003524900000000 ] - [ 0.0000890000000000, -0.0003739900000000, -0.0003608300000000 ] - [ 0.0000894300000000, -0.0001400700000000, -0.0003452000000000 ] - [ -0.0000679500000000, -0.0002564200000000, -0.0003533300000000 ] - [ 0.0000335000000000, -0.0002831300000000, -0.0003624300000000 ] - [ 0.0000338800000000, -0.0002304800000000, -0.0003441700000000 ] - [ -0.0000588100000000, -0.0001060500000000, 0.0001563000000000 ] - [ -0.0000596900000000, -0.0000010500000000, 0.0001227100000000 ] - [ 0.0001080500000000, -0.0000537500000000, 0.0001394300000000 ] - [ -0.0000286700000000, -0.0000478400000000, 0.0001303800000000 ] - [ -0.0000290000000000, -0.0000594300000000, 0.0001485200000000 ] - [ 0.0000564700000000, -0.0000536800000000, 0.0001394700000000 ] - [ -0.0001263500000000, 0.0000542100000000, 0.0001390700000000 ] - [ 0.0000668800000000, 0.0000187700000000, 0.0001784200000000 ] - [ 0.0000677600000000, 0.0000882900000000, 0.0001003800000000 ] - [ -0.0001263500000000, 0.0000536900000000, 0.0001395100000000 ] - [ 0.0000671700000000, -0.0000693500000000, 0.0000832400000000 ] - [ 0.0000674700000000, 0.0001757300000000, 0.0001952500000000 ] - [ -0.0000884500000000, 0.0000319400000000, -0.0003026000000000 ] - [ -0.0000944300000000, -0.0003691400000000, 0.0000041900000000 ] - [ 0.0002705700000000, -0.0001700500000000, -0.0001480600000000 ] - [ -0.0000880200000000, -0.0001338700000000, -0.0000758400000000 ] - [ -0.0000890300000000, -0.0002053200000000, -0.0002211200000000 ] - [ 0.0002006600000000, -0.0001698300000000, -0.0001485600000000 ] - [ -0.0002050400000000, 0.0001688700000000, -0.0001485100000000 ] - [ 0.0000903200000000, 0.0002200500000000, -0.0001809800000000 ] - [ 0.0000909300000000, 0.0001189800000000, -0.0001161900000000 ] - [ -0.0001284500000000, 0.0001695700000000, -0.0001483700000000 ] - [ 0.0000624700000000, 0.0001953300000000, -0.0001432000000000 ] - [ 0.0000629400000000, 0.0001440300000000, -0.0001535600000000 ] - [ -0.0007040100000000, -0.0000647200000000, -0.0000573300000000 ] - [ 0.0004331500000000, -0.0003557700000000, -0.0003494300000000 ] - [ 0.0004316300000000, 0.0002229600000000, 0.0002322000000000 ] - [ -0.0001300400000000, -0.0000645800000000, -0.0000594700000000 ] - [ 0.0000766700000000, -0.0001377000000000, 0.0000220100000000 ] - [ 0.0000773500000000, 0.0000059700000000, -0.0001369900000000 ] - [ -0.0000369800000000, -0.0003620300000000, -0.0001968100000000 ] - [ -0.0000379900000000, 0.0004942000000000, 0.0000820200000000 ] - [ 0.0001499600000000, 0.0000656500000000, -0.0000577200000000 ] - [ -0.0000448300000000, 0.0000422500000000, -0.0000538600000000 ] - [ -0.0000456000000000, 0.0000882900000000, -0.0000610800000000 ] - [ 0.0000769700000000, 0.0000654700000000, -0.0000575000000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0108446900000000, -0.0038778200000000 ] - [ -0.0007316500000000, 0.0002337800000000, 0.0006277300000000 ] - [ 0.0007316500000000, 0.0002337800000000, 0.0006277300000000 ] - [ 0.0000000000000000, 0.0002044700000000, 0.0001382700000000 ] - [ -0.0001405200000000, 0.0002393200000000, 0.0003422100000000 ] - [ 0.0001405200000000, 0.0002393200000000, 0.0003422100000000 ] - [ 0.0000380400000000, 0.0043482100000000, 0.0006929300000000 ] - [ -0.0000380400000000, 0.0043482100000000, 0.0006929300000000 ] - [ 0.0000000000000000, 0.0003215500000000, 0.0002969600000000 ] - [ -0.0002100200000000, 0.0005157800000000, 0.0001902100000000 ] - [ 0.0002100200000000, 0.0005157800000000, 0.0001902100000000 ] - [ 0.0000000000000000, 0.0002800800000000, 0.0003924900000000 ] - [ -0.0004360400000000, -0.0009074500000000, -0.0000232000000000 ] - [ 0.0004360400000000, -0.0009074500000000, -0.0000232000000000 ] - [ 0.0000000000000000, -0.0002406200000000, 0.0003949200000000 ] - [ -0.0000939700000000, -0.0003397700000000, 0.0006177200000000 ] - [ 0.0000939700000000, -0.0003397700000000, 0.0006177200000000 ] - [ 0.0000000000000000, -0.0001858100000000, 0.0004209500000000 ] - [ 0.0000000000000000, -0.0009547300000000, 0.0002676700000000 ] - [ -0.0000768600000000, -0.0003809800000000, 0.0003020500000000 ] - [ 0.0000768600000000, -0.0003809800000000, 0.0003020500000000 ] - [ 0.0000000000000000, -0.0005578100000000, 0.0004438500000000 ] - [ -0.0000521000000000, -0.0002780700000000, 0.0004076000000000 ] - [ 0.0000521000000000, -0.0002780700000000, 0.0004076000000000 ] - [ 0.0000000000000000, 0.0172738900000000, 0.0100015900000000 ] - [ 0.0007938400000000, 0.0004412400000000, -0.0000579300000000 ] - [ -0.0007938400000000, 0.0004412400000000, -0.0000579300000000 ] - [ 0.0000000000000000, 0.0005798300000000, 0.0002082300000000 ] - [ 0.0000104400000000, 0.0001625700000000, 0.0001581600000000 ] - [ -0.0000104400000000, 0.0001625700000000, 0.0001581600000000 ] - [ 0.0005003500000000, -0.0006828600000000, -0.0011016000000000 ] - [ -0.0005003500000000, -0.0006828600000000, -0.0011016000000000 ] - [ 0.0000000000000000, 0.0000296100000000, 0.0000225300000000 ] - [ 0.0004317400000000, -0.0000838900000000, 0.0004238900000000 ] - [ -0.0004317400000000, -0.0000838900000000, 0.0004238900000000 ] - [ 0.0000000000000000, -0.0000497400000000, 0.0001513800000000 ] - [ 0.0001848600000000, -0.0006332400000000, 0.0001228700000000 ] - [ -0.0001848600000000, -0.0006332400000000, 0.0001228700000000 ] - [ 0.0000000000000000, -0.0001367600000000, 0.0000661100000000 ] - [ 0.0000325200000000, -0.0002083800000000, 0.0000614600000000 ] - [ -0.0000325200000000, -0.0002083800000000, 0.0000614600000000 ] - [ 0.0000000000000000, -0.0001087500000000, 0.0000570800000000 ] - [ 0.0000000000000000, -0.0020814000000000, 0.0012675700000000 ] - [ 0.0005144800000000, -0.0001660200000000, 0.0000035600000000 ] - [ -0.0005144800000000, -0.0001660200000000, 0.0000035600000000 ] - [ 0.0000000000000000, -0.0001635700000000, -0.0002923700000000 ] - [ 0.0000594500000000, -0.0000975800000000, -0.0000646200000000 ] - [ -0.0000594500000000, -0.0000975800000000, -0.0000646200000000 ] - [ 0.0000000000000000, -0.0005850200000000, 0.0010977200000000 ] - [ -0.0000781300000000, -0.0000191600000000, -0.0002921500000000 ] - [ 0.0000781300000000, -0.0000191600000000, -0.0002921500000000 ] - [ 0.0000000000000000, -0.0005098300000000, 0.0000216800000000 ] - [ -0.0002230300000000, 0.0000735200000000, -0.0005943300000000 ] - [ 0.0002230300000000, 0.0000735200000000, -0.0005943300000000 ] - [ -0.0020439600000000, 0.0011949500000000, -0.0003895000000000 ] - [ 0.0020439600000000, 0.0011949500000000, -0.0003895000000000 ] - [ 0.0000000000000000, -0.0003754700000000, -0.0002731100000000 ] - [ -0.0000945900000000, -0.0003861800000000, -0.0004460000000000 ] - [ 0.0000945900000000, -0.0003861800000000, -0.0004460000000000 ] - [ 0.0000000000000000, -0.0003397500000000, -0.0003736000000000 ] - [ 0.0000000000000000, -0.0455608900000000, -0.0011006300000000 ] - [ -0.0000091900000000, -0.0004723700000000, 0.0000970100000000 ] - [ 0.0000091900000000, -0.0004723700000000, 0.0000970100000000 ] - [ 0.0000000000000000, -0.0002367500000000, 0.0002445200000000 ] - [ -0.0000162500000000, -0.0002019200000000, 0.0000926400000000 ] - [ 0.0000162500000000, -0.0002019200000000, 0.0000926400000000 ] - [ -0.0000982800000000, -0.0002406700000000, 0.0003605700000000 ] - [ 0.0000982800000000, -0.0002406700000000, 0.0003605700000000 ] - [ 0.0000000000000000, -0.0001031400000000, 0.0001888800000000 ] - [ -0.0003733200000000, -0.0002405600000000, -0.0002534700000000 ] - [ 0.0003733200000000, -0.0002405600000000, -0.0002534700000000 ] - [ 0.0000000000000000, -0.0001030100000000, 0.0000374600000000 ] - [ 0.0000000000000000, 0.0003014400000000, 0.0002090900000000 ] - [ 0.0002337800000000, -0.0000526000000000, 0.0000519800000000 ] - [ -0.0002337800000000, -0.0000526000000000, 0.0000519800000000 ] - [ 0.0000000000000000, -0.0000105200000000, -0.0013010000000000 ] - [ 0.0001378500000000, -0.0001458500000000, -0.0002542200000000 ] - [ -0.0001378500000000, -0.0001458500000000, -0.0002542200000000 ] - [ 0.0015314900000000, 0.0008889600000000, 0.0001609100000000 ] - [ -0.0015314900000000, 0.0008889600000000, 0.0001609100000000 ] - [ 0.0000000000000000, 0.0000506700000000, -0.0001386200000000 ] - [ 0.0000259300000000, 0.0000470300000000, -0.0002156200000000 ] - [ -0.0000259300000000, 0.0000470300000000, -0.0002156200000000 ] - [ 0.0000000000000000, 0.0001070800000000, -0.0002195300000000 ] - [ -0.0003617400000000, 0.0001883400000000, -0.0002636400000000 ] - [ 0.0003617400000000, 0.0001883400000000, -0.0002636400000000 ] - [ 0.0000000000000000, -0.0000040600000000, -0.0000902300000000 ] - [ -0.0000800000000000, -0.0000313800000000, 0.0000422000000000 ] - [ 0.0000800000000000, -0.0000313800000000, 0.0000422000000000 ] - [ 0.0000000000000000, -0.0000492300000000, 0.0000018900000000 ] - [ 0.0000000000000000, 0.0070891100000000, -0.0042165600000000 ] - [ -0.0001608000000000, -0.0000867200000000, -0.0000812800000000 ] - [ 0.0001608000000000, -0.0000867200000000, -0.0000812800000000 ] - [ 0.0000000000000000, -0.0000363300000000, 0.0000105700000000 ] - [ -0.0000284100000000, -0.0000002100000000, -0.0000421900000000 ] - [ 0.0000284100000000, -0.0000002100000000, -0.0000421900000000 ] - [ -0.0000223800000000, 0.0005559400000000, -0.0003622000000000 ] - [ 0.0000223800000000, 0.0005559400000000, -0.0003622000000000 ] - [ 0.0000000000000000, 0.0003826200000000, -0.0003722000000000 ] - [ 0.0000069500000000, 0.0004574900000000, -0.0003024200000000 ] - [ -0.0000069500000000, 0.0004574900000000, -0.0003024200000000 ] - [ 0.0000000000000000, 0.0003733900000000, -0.0003325500000000 ] - [ 0.0000000000000000, 0.0006848800000000, -0.0001330500000000 ] - [ -0.0001016700000000, -0.0001085800000000, -0.0003318500000000 ] - [ 0.0001016700000000, -0.0001085800000000, -0.0003318500000000 ] - [ 0.0000000000000000, -0.0001229700000000, -0.0003973100000000 ] - [ -0.0000211200000000, -0.0001751600000000, -0.0003854400000000 ] - [ 0.0000211200000000, -0.0001751600000000, -0.0003854400000000 ] - [ 0.0000521700000000, 0.0003147900000000, 0.0001583900000000 ] - [ -0.0000521700000000, 0.0003147900000000, 0.0001583900000000 ] - [ 0.0000000000000000, 0.0000994300000000, 0.0001533300000000 ] - [ -0.0000058700000000, 0.0001342200000000, 0.0001155300000000 ] - [ 0.0000058700000000, 0.0001342200000000, 0.0001155300000000 ] - [ 0.0000000000000000, 0.0000583800000000, 0.0001314400000000 ] - [ 0.0000000000000000, 0.0003614800000000, -0.0000535700000000 ] - [ -0.0001221200000000, 0.0002165600000000, 0.0000765600000000 ] - [ 0.0001221200000000, 0.0002165600000000, 0.0000765600000000 ] - [ 0.0000000000000000, 0.0003625300000000, 0.0002809300000000 ] - [ -0.0000347200000000, 0.0002168900000000, 0.0001717400000000 ] - [ 0.0000347200000000, 0.0002168900000000, 0.0001717400000000 ] - [ 0.0008440700000000, 0.0003388100000000, -0.0006695500000000 ] - [ -0.0008440700000000, 0.0003388100000000, -0.0006695500000000 ] - [ 0.0000000000000000, -0.0001429500000000, -0.0001610500000000 ] - [ 0.0000776800000000, -0.0001288400000000, -0.0000509100000000 ] - [ -0.0000776800000000, -0.0001288400000000, -0.0000509100000000 ] - [ 0.0000000000000000, -0.0001402900000000, -0.0001067800000000 ] - [ 0.0000000000000000, 0.0006353100000000, -0.0000851700000000 ] - [ 0.0000991900000000, 0.0003446700000000, -0.0001282000000000 ] - [ -0.0000991900000000, 0.0003446700000000, -0.0001282000000000 ] - [ 0.0000000000000000, 0.0003042600000000, -0.0001377500000000 ] - [ 0.0000311200000000, 0.0002564200000000, -0.0001444600000000 ] - [ -0.0000311200000000, 0.0002564200000000, -0.0001444600000000 ] - [ 0.0000000000000000, 0.0002711700000000, 0.0005429000000000 ] - [ -0.0002230100000000, 0.0000492500000000, 0.0001128200000000 ] - [ 0.0002230100000000, 0.0000492500000000, 0.0001128200000000 ] - [ 0.0000000000000000, 0.0000101800000000, -0.0005645500000000 ] - [ -0.0000988500000000, -0.0000595300000000, -0.0001674700000000 ] - [ 0.0000988500000000, -0.0000595300000000, -0.0001674700000000 ] - [ -0.0001772600000000, 0.0006082000000000, 0.0000734300000000 ] - [ 0.0001772600000000, 0.0006082000000000, 0.0000734300000000 ] - [ 0.0000000000000000, 0.0001645900000000, -0.0000801200000000 ] - [ -0.0000966400000000, 0.0002326300000000, -0.0001627800000000 ] - [ 0.0000966400000000, 0.0002326300000000, -0.0001627800000000 ] - [ 0.0000000000000000, 0.0001455700000000, -0.0001006400000000 ]- atom: 61 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0105198000000000, 0.0043403100000000 ] - [ 0.0007310900000000, -0.0002784100000000, 0.0001197500000000 ] - [ -0.0007310900000000, -0.0002784100000000, 0.0001197500000000 ] - [ 0.0000000000000000, -0.0002464100000000, 0.0006107400000000 ] - [ 0.0001407600000000, -0.0002844400000000, 0.0004061100000000 ] - [ -0.0001407600000000, -0.0002844400000000, 0.0004061100000000 ] - [ -0.0000365900000000, -0.0042829300000000, 0.0000529400000000 ] - [ 0.0000365900000000, -0.0042829300000000, 0.0000529400000000 ] - [ 0.0000000000000000, -0.0002736700000000, 0.0004507700000000 ] - [ 0.0002031100000000, -0.0004662500000000, 0.0005540900000000 ] - [ -0.0002031100000000, -0.0004662500000000, 0.0005540900000000 ] - [ 0.0000000000000000, -0.0002319000000000, 0.0003559600000000 ] - [ 0.0004365000000000, 0.0008560200000000, 0.0007747400000000 ] - [ -0.0004365000000000, 0.0008560200000000, 0.0007747400000000 ] - [ 0.0000000000000000, 0.0001911900000000, 0.0003537000000000 ] - [ 0.0000938900000000, 0.0002906900000000, 0.0001290000000000 ] - [ -0.0000938900000000, 0.0002906900000000, 0.0001290000000000 ] - [ 0.0000000000000000, 0.0001363100000000, 0.0003268900000000 ] - [ 0.0000000000000000, 0.0010007100000000, 0.0004792200000000 ] - [ 0.0000760200000000, 0.0004282400000000, 0.0004457100000000 ] - [ -0.0000760200000000, 0.0004282400000000, 0.0004457100000000 ] - [ 0.0000000000000000, 0.0006019600000000, 0.0003046100000000 ] - [ 0.0000511800000000, 0.0003246700000000, 0.0003405500000000 ] - [ -0.0000511800000000, 0.0003246700000000, 0.0003405500000000 ] - [ 0.0000000000000000, -0.0178242100000000, -0.0105274900000000 ] - [ -0.0007898600000000, -0.0003527600000000, 0.0001485200000000 ] - [ 0.0007898600000000, -0.0003527600000000, 0.0001485200000000 ] - [ 0.0000000000000000, -0.0004959000000000, -0.0001176900000000 ] - [ -0.0000102500000000, -0.0000752800000000, -0.0000664800000000 ] - [ 0.0000102500000000, -0.0000752800000000, -0.0000664800000000 ] - [ -0.0004962800000000, 0.0005951200000000, 0.0011895300000000 ] - [ 0.0004962800000000, 0.0005951200000000, 0.0011895300000000 ] - [ 0.0000000000000000, -0.0001165200000000, 0.0000683100000000 ] - [ -0.0004263300000000, -0.0000024000000000, -0.0003300700000000 ] - [ 0.0004263300000000, -0.0000024000000000, -0.0003300700000000 ] - [ 0.0000000000000000, -0.0000377800000000, -0.0000592800000000 ] - [ -0.0001830600000000, 0.0007195300000000, -0.0000316500000000 ] - [ 0.0001830600000000, 0.0007195300000000, -0.0000316500000000 ] - [ 0.0000000000000000, 0.0002255900000000, 0.0000253300000000 ] - [ -0.0000320700000000, 0.0002976000000000, 0.0000297900000000 ] - [ 0.0000320700000000, 0.0002976000000000, 0.0000297900000000 ] - [ 0.0000000000000000, 0.0001979200000000, 0.0000340100000000 ] - [ 0.0000000000000000, 0.0019872300000000, -0.0011739600000000 ] - [ -0.0005165200000000, 0.0000757800000000, 0.0000885300000000 ] - [ 0.0005165200000000, 0.0000757800000000, 0.0000885300000000 ] - [ 0.0000000000000000, 0.0000715500000000, 0.0003814400000000 ] - [ -0.0000591000000000, 0.0000082000000000, 0.0001553800000000 ] - [ 0.0000591000000000, 0.0000082000000000, 0.0001553800000000 ] - [ 0.0000000000000000, 0.0011090300000000, -0.0017716900000000 ] - [ 0.0000772400000000, 0.0005315100000000, -0.0004140400000000 ] - [ -0.0000772400000000, 0.0005315100000000, -0.0004140400000000 ] - [ 0.0000000000000000, 0.0010239300000000, -0.0007375200000000 ] - [ 0.0002197000000000, 0.0004389500000000, -0.0001151300000000 ] - [ -0.0002197000000000, 0.0004389500000000, -0.0001151300000000 ] - [ 0.0020351800000000, -0.0017101500000000, -0.0003225700000000 ] - [ -0.0020351800000000, -0.0017101500000000, -0.0003225700000000 ] - [ 0.0000000000000000, -0.0001391400000000, -0.0004329100000000 ] - [ 0.0000937900000000, -0.0001292000000000, -0.0002613000000000 ] - [ -0.0000937900000000, -0.0001292000000000, -0.0002613000000000 ] - [ 0.0000000000000000, -0.0001746000000000, -0.0003331700000000 ] - [ 0.0000000000000000, 0.0457498100000000, 0.0022328400000000 ] - [ 0.0000076600000000, 0.0003637200000000, 0.0001824900000000 ] - [ -0.0000076600000000, 0.0003637200000000, 0.0001824900000000 ] - [ 0.0000000000000000, 0.0001284400000000, 0.0000346100000000 ] - [ 0.0000155600000000, 0.0000939000000000, 0.0001863200000000 ] - [ -0.0000155600000000, 0.0000939000000000, 0.0001863200000000 ] - [ 0.0000980000000000, 0.0003439600000000, -0.0000825300000000 ] - [ -0.0000980000000000, 0.0003439600000000, -0.0000825300000000 ] - [ 0.0000000000000000, 0.0002088200000000, 0.0000905300000000 ] - [ 0.0003718100000000, 0.0003440700000000, 0.0005314000000000 ] - [ -0.0003718100000000, 0.0003440700000000, 0.0005314000000000 ] - [ 0.0000000000000000, 0.0002089500000000, 0.0002412700000000 ] - [ 0.0000000000000000, -0.0006378600000000, -0.0005036300000000 ] - [ -0.0002330100000000, -0.0002868600000000, -0.0003473500000000 ] - [ 0.0002330100000000, -0.0002868600000000, -0.0003473500000000 ] - [ 0.0000000000000000, -0.0003282800000000, 0.0009906200000000 ] - [ -0.0001371100000000, -0.0001941000000000, -0.0000425700000000 ] - [ 0.0001371100000000, -0.0001941000000000, -0.0000425700000000 ] - [ -0.0015298100000000, -0.0005476200000000, -0.0004549700000000 ] - [ 0.0015298100000000, -0.0005476200000000, -0.0004549700000000 ] - [ 0.0000000000000000, 0.0002885900000000, -0.0001579500000000 ] - [ -0.0000251600000000, 0.0002932200000000, -0.0000809900000000 ] - [ 0.0000251600000000, 0.0002932200000000, -0.0000809900000000 ] - [ 0.0000000000000000, 0.0002327300000000, -0.0000775400000000 ] - [ 0.0003595900000000, -0.0003201200000000, 0.0001484700000000 ] - [ -0.0003595900000000, -0.0003201200000000, 0.0001484700000000 ] - [ 0.0000000000000000, -0.0001275600000000, -0.0000251200000000 ] - [ 0.0000795500000000, -0.0001010100000000, -0.0001575100000000 ] - [ -0.0000795500000000, -0.0001010100000000, -0.0001575100000000 ] - [ 0.0000000000000000, -0.0000827000000000, -0.0001168900000000 ] - [ 0.0000000000000000, -0.0070135200000000, 0.0041442300000000 ] - [ 0.0001593000000000, 0.0002191700000000, -0.0000339400000000 ] - [ -0.0001593000000000, 0.0002191700000000, -0.0000339400000000 ] - [ 0.0000000000000000, 0.0001689800000000, -0.0001228200000000 ] - [ 0.0000278800000000, 0.0001318800000000, -0.0000727600000000 ] - [ -0.0000278800000000, 0.0001318800000000, -0.0000727600000000 ] - [ 0.0000221700000000, -0.0000416100000000, -0.0003447400000000 ] - [ -0.0000221700000000, -0.0000416100000000, -0.0003447400000000 ] - [ 0.0000000000000000, 0.0001311700000000, -0.0003343800000000 ] - [ -0.0000071800000000, 0.0000560400000000, -0.0004036100000000 ] - [ 0.0000071800000000, 0.0000560400000000, -0.0004036100000000 ] - [ 0.0000000000000000, 0.0001399500000000, -0.0003736300000000 ] - [ 0.0000000000000000, -0.0012023000000000, -0.0005754800000000 ] - [ 0.0001021000000000, -0.0004043200000000, -0.0003750200000000 ] - [ -0.0001021000000000, -0.0004043200000000, -0.0003750200000000 ] - [ 0.0000000000000000, -0.0003896900000000, -0.0003085200000000 ] - [ 0.0000211900000000, -0.0003378200000000, -0.0003206100000000 ] - [ -0.0000211900000000, -0.0003378200000000, -0.0003206100000000 ] - [ -0.0000528400000000, -0.0004214400000000, 0.0001203600000000 ] - [ 0.0000528400000000, -0.0004214400000000, 0.0001203600000000 ] - [ 0.0000000000000000, -0.0002062700000000, 0.0001256700000000 ] - [ 0.0000057100000000, -0.0002409100000000, 0.0001635900000000 ] - [ -0.0000057100000000, -0.0002409100000000, 0.0001635900000000 ] - [ 0.0000000000000000, -0.0001653400000000, 0.0001476900000000 ] - [ 0.0000000000000000, -0.0002542600000000, 0.0003335300000000 ] - [ 0.0001229500000000, -0.0001092300000000, 0.0002028800000000 ] - [ -0.0001229500000000, -0.0001092300000000, 0.0002028800000000 ] - [ 0.0000000000000000, -0.0002531900000000, -0.0000017100000000 ] - [ 0.0000347800000000, -0.0001089000000000, 0.0001073700000000 ] - [ -0.0000347800000000, -0.0001089000000000, 0.0001073700000000 ] - [ -0.0008491700000000, -0.0006794200000000, 0.0003758100000000 ] - [ 0.0008491700000000, -0.0006794200000000, 0.0003758100000000 ] - [ 0.0000000000000000, -0.0001955300000000, -0.0001355300000000 ] - [ -0.0000771600000000, -0.0002093200000000, -0.0002451800000000 ] - [ 0.0000771600000000, -0.0002093200000000, -0.0002451800000000 ] - [ 0.0000000000000000, -0.0001985100000000, -0.0001894400000000 ] - [ 0.0000000000000000, -0.0002943300000000, -0.0002111100000000 ] - [ -0.0000984100000000, -0.0000051700000000, -0.0001685300000000 ] - [ 0.0000984100000000, -0.0000051700000000, -0.0001685300000000 ] - [ 0.0000000000000000, 0.0000348400000000, -0.0001592400000000 ] - [ -0.0000308900000000, 0.0000825600000000, -0.0001523500000000 ] - [ 0.0000308900000000, 0.0000825600000000, -0.0001523500000000 ] - [ 0.0000000000000000, -0.0003956700000000, -0.0006576300000000 ] - [ 0.0002219300000000, -0.0001795400000000, -0.0002275800000000 ] - [ -0.0002219300000000, -0.0001795400000000, -0.0002275800000000 ] - [ 0.0000000000000000, -0.0001410600000000, 0.0004533300000000 ] - [ 0.0000992500000000, -0.0000709500000000, 0.0000530600000000 ] - [ -0.0000992500000000, -0.0000709500000000, 0.0000530600000000 ] - [ 0.0001758000000000, -0.0004755100000000, -0.0001876400000000 ] - [ -0.0001758000000000, -0.0004755100000000, -0.0001876400000000 ] - [ 0.0000000000000000, -0.0000336200000000, -0.0000349800000000 ] - [ 0.0000955600000000, -0.0001009700000000, 0.0000469400000000 ] - [ -0.0000955600000000, -0.0001009700000000, 0.0000469400000000 ] - [ 0.0000000000000000, -0.0000144800000000, -0.0000146400000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0040507500000000, 0.0068038300000000 ] - [ 0.0002173500000000, -0.0000081100000000, 0.0008015300000000 ] - [ -0.0002173500000000, -0.0000081100000000, 0.0008015300000000 ] - [ 0.0000000000000000, -0.0005588600000000, -0.0007442300000000 ] - [ -0.0001132500000000, -0.0001383000000000, 0.0000198200000000 ] - [ 0.0001132500000000, -0.0001383000000000, 0.0000198200000000 ] - [ -0.0014200100000000, -0.0013575100000000, 0.0050246400000000 ] - [ 0.0014200100000000, -0.0013575100000000, 0.0050246400000000 ] - [ 0.0000000000000000, 0.0000697400000000, 0.0005126200000000 ] - [ -0.0011429900000000, -0.0001482400000000, -0.0005757900000000 ] - [ 0.0011429900000000, -0.0001482400000000, -0.0005757900000000 ] - [ 0.0000000000000000, 0.0000415700000000, 0.0002686500000000 ] - [ -0.0000649900000000, -0.0004860800000000, 0.0007667800000000 ] - [ 0.0000649900000000, -0.0004860800000000, 0.0007667800000000 ] - [ 0.0000000000000000, -0.0000735700000000, 0.0005792100000000 ] - [ 0.0000705900000000, 0.0000237200000000, 0.0000969500000000 ] - [ -0.0000705900000000, 0.0000237200000000, 0.0000969500000000 ] - [ 0.0000000000000000, 0.0000121300000000, 0.0002142200000000 ] - [ 0.0000000000000000, -0.0000594400000000, 0.0005091700000000 ] - [ -0.0000580200000000, -0.0000036700000000, 0.0004358100000000 ] - [ 0.0000580200000000, -0.0000036700000000, 0.0004358100000000 ] - [ 0.0000000000000000, 0.0000939400000000, 0.0001988200000000 ] - [ 0.0000498500000000, 0.0000369400000000, 0.0002868900000000 ] - [ -0.0000498500000000, 0.0000369400000000, 0.0002868900000000 ] - [ 0.0000000000000000, 0.0079677200000000, 0.0119793500000000 ] - [ 0.0008813200000000, 0.0002777600000000, 0.0004432400000000 ] - [ -0.0008813200000000, 0.0002777600000000, 0.0004432400000000 ] - [ 0.0000000000000000, 0.0004006100000000, -0.0014811000000000 ] - [ -0.0000405000000000, 0.0001475700000000, -0.0003774400000000 ] - [ 0.0000405000000000, 0.0001475700000000, -0.0003774400000000 ] - [ 0.0004979400000000, -0.0007137800000000, 0.0000734700000000 ] - [ -0.0004979400000000, -0.0007137800000000, 0.0000734700000000 ] - [ 0.0000000000000000, -0.0001023100000000, 0.0001167300000000 ] - [ -0.0002128600000000, 0.0002758000000000, -0.0003271200000000 ] - [ 0.0002128600000000, 0.0002758000000000, -0.0003271200000000 ] - [ 0.0000000000000000, -0.0000578100000000, -0.0000036000000000 ] - [ -0.0001129400000000, 0.0001924300000000, 0.0003260100000000 ] - [ 0.0001129400000000, 0.0001924300000000, 0.0003260100000000 ] - [ 0.0000000000000000, 0.0000432400000000, 0.0001260200000000 ] - [ 0.0000265500000000, -0.0000254600000000, -0.0001476300000000 ] - [ -0.0000265500000000, -0.0000254600000000, -0.0001476300000000 ] - [ 0.0000000000000000, 0.0000050800000000, -0.0000472900000000 ] - [ 0.0000000000000000, 0.0006294400000000, -0.0000289600000000 ] - [ -0.0001703900000000, 0.0000703900000000, 0.0001191600000000 ] - [ 0.0001703900000000, 0.0000703900000000, 0.0001191600000000 ] - [ 0.0000000000000000, -0.0004683900000000, -0.0003257000000000 ] - [ 0.0000647300000000, -0.0001025900000000, -0.0001112000000000 ] - [ -0.0000647300000000, -0.0001025900000000, -0.0001112000000000 ] - [ 0.0000000000000000, 0.0012870100000000, 0.0053373900000000 ] - [ -0.0002264100000000, 0.0002332200000000, -0.0004169000000000 ] - [ 0.0002264100000000, 0.0002332200000000, -0.0004169000000000 ] - [ 0.0000000000000000, -0.0006719200000000, 0.0012034200000000 ] - [ 0.0004806600000000, 0.0003493800000000, 0.0001021100000000 ] - [ -0.0004806600000000, 0.0003493800000000, 0.0001021100000000 ] - [ -0.0006320000000000, 0.0001006000000000, -0.0013034600000000 ] - [ 0.0006320000000000, 0.0001006000000000, -0.0013034600000000 ] - [ 0.0000000000000000, -0.0002050300000000, -0.0004494900000000 ] - [ 0.0000164400000000, -0.0003096600000000, -0.0000584500000000 ] - [ -0.0000164400000000, -0.0003096600000000, -0.0000584500000000 ] - [ 0.0000000000000000, -0.0002829400000000, -0.0002442900000000 ] - [ 0.0000000000000000, -0.0015533100000000, -0.0314355700000000 ] - [ 0.0001962300000000, -0.0000964300000000, -0.0002713400000000 ] - [ -0.0001962300000000, -0.0000964300000000, -0.0002713400000000 ] - [ 0.0000000000000000, 0.0000513400000000, 0.0010492100000000 ] - [ -0.0001317800000000, -0.0001003800000000, 0.0004038000000000 ] - [ 0.0001317800000000, -0.0001003800000000, 0.0004038000000000 ] - [ -0.0002066200000000, 0.0004464300000000, 0.0003301000000000 ] - [ 0.0002066200000000, 0.0004464300000000, 0.0003301000000000 ] - [ 0.0000000000000000, 0.0001555500000000, 0.0001322900000000 ] - [ 0.0005439700000000, -0.0001682200000000, 0.0003322000000000 ] - [ -0.0005439700000000, -0.0001682200000000, 0.0003322000000000 ] - [ 0.0000000000000000, 0.0000044600000000, 0.0001328100000000 ] - [ 0.0000000000000000, 0.0004337500000000, -0.0001886300000000 ] - [ 0.0000742700000000, -0.0000750600000000, -0.0001526500000000 ] - [ -0.0000742700000000, -0.0000750600000000, -0.0001526500000000 ] - [ 0.0000000000000000, -0.0003032100000000, 0.0001720700000000 ] - [ -0.0001097800000000, -0.0002321000000000, -0.0001056700000000 ] - [ 0.0001097800000000, -0.0002321000000000, -0.0001056700000000 ] - [ 0.0017977900000000, 0.0015524200000000, -0.0003349400000000 ] - [ -0.0017977900000000, 0.0015524200000000, -0.0003349400000000 ] - [ 0.0000000000000000, 0.0001215400000000, -0.0003307200000000 ] - [ -0.0000341300000000, 0.0001030100000000, 0.0002791600000000 ] - [ 0.0000341300000000, 0.0001030100000000, 0.0002791600000000 ] - [ 0.0000000000000000, 0.0001438000000000, 0.0000243500000000 ] - [ 0.0003344300000000, -0.0002875900000000, -0.0002097500000000 ] - [ -0.0003344300000000, -0.0002875900000000, -0.0002097500000000 ] - [ 0.0000000000000000, -0.0000679300000000, -0.0001031600000000 ] - [ -0.0000527000000000, 0.0000629100000000, 0.0000794500000000 ] - [ 0.0000527000000000, 0.0000629100000000, 0.0000794500000000 ] - [ 0.0000000000000000, -0.0000185700000000, 0.0000017500000000 ] - [ 0.0000000000000000, -0.0023959900000000, -0.0003042600000000 ] - [ 0.0001537000000000, -0.0002101800000000, -0.0005865400000000 ] - [ -0.0001537000000000, -0.0002101800000000, -0.0005865400000000 ] - [ 0.0000000000000000, 0.0002398200000000, 0.0005739900000000 ] - [ -0.0000903400000000, 0.0001107100000000, 0.0000914300000000 ] - [ 0.0000903400000000, 0.0001107100000000, 0.0000914300000000 ] - [ 0.0000375300000000, 0.0002510500000000, -0.0003425100000000 ] - [ -0.0000375300000000, 0.0002510500000000, -0.0003425100000000 ] - [ 0.0000000000000000, 0.0002773200000000, -0.0003655000000000 ] - [ -0.0000195200000000, 0.0002696200000000, -0.0003350200000000 ] - [ 0.0000195200000000, 0.0002696200000000, -0.0003350200000000 ] - [ 0.0000000000000000, 0.0002498100000000, -0.0003401500000000 ] - [ 0.0000000000000000, -0.0005524900000000, -0.0005894600000000 ] - [ -0.0000004800000000, -0.0002874200000000, -0.0004724700000000 ] - [ 0.0000004800000000, -0.0002874200000000, -0.0004724700000000 ] - [ 0.0000000000000000, -0.0002080300000000, -0.0002082900000000 ] - [ -0.0000023500000000, -0.0002398100000000, -0.0002558400000000 ] - [ 0.0000023500000000, -0.0002398100000000, -0.0002558400000000 ] - [ -0.0000166700000000, -0.0000343100000000, 0.0000116700000000 ] - [ 0.0000166700000000, -0.0000343100000000, 0.0000116700000000 ] - [ 0.0000000000000000, -0.0000397400000000, 0.0000814500000000 ] - [ 0.0000090100000000, -0.0000776200000000, 0.0002265600000000 ] - [ -0.0000090100000000, -0.0000776200000000, 0.0002265600000000 ] - [ 0.0000000000000000, -0.0000617500000000, 0.0001911100000000 ] - [ 0.0000000000000000, -0.0000876700000000, 0.0001888100000000 ] - [ 0.0000557800000000, 0.0000214300000000, 0.0001622100000000 ] - [ -0.0000557800000000, 0.0000214300000000, 0.0001622100000000 ] - [ 0.0000000000000000, 0.0002476200000000, 0.0001901600000000 ] - [ -0.0000390900000000, 0.0001170000000000, 0.0001627500000000 ] - [ 0.0000390900000000, 0.0001170000000000, 0.0001627500000000 ] - [ -0.0002395100000000, -0.0004404700000000, -0.0000828000000000 ] - [ 0.0002395100000000, -0.0004404700000000, -0.0000828000000000 ] - [ 0.0000000000000000, -0.0002185900000000, -0.0001433300000000 ] - [ 0.0000793700000000, -0.0000647600000000, -0.0000694100000000 ] - [ -0.0000793700000000, -0.0000647600000000, -0.0000694100000000 ] - [ 0.0000000000000000, -0.0001307700000000, -0.0001012100000000 ] - [ 0.0000000000000000, -0.0000816300000000, -0.0003101600000000 ] - [ -0.0000478400000000, 0.0001387100000000, -0.0002434100000000 ] - [ 0.0000478400000000, 0.0001387100000000, -0.0002434100000000 ] - [ 0.0000000000000000, 0.0002212200000000, -0.0000288100000000 ] - [ 0.0000131000000000, 0.0001977100000000, -0.0000739200000000 ] - [ -0.0000131000000000, 0.0001977100000000, -0.0000739200000000 ] - [ 0.0000000000000000, 0.0006668300000000, -0.0002459000000000 ] - [ -0.0002516900000000, 0.0000834100000000, -0.0000019000000000 ] - [ 0.0002516900000000, 0.0000834100000000, -0.0000019000000000 ] - [ 0.0000000000000000, -0.0004195300000000, 0.0003726100000000 ] - [ 0.0000337600000000, -0.0001073700000000, 0.0000021900000000 ] - [ -0.0000337600000000, -0.0001073700000000, 0.0000021900000000 ] - [ -0.0000967400000000, 0.0002178000000000, -0.0001977400000000 ] - [ 0.0000967400000000, 0.0002178000000000, -0.0001977400000000 ] - [ 0.0000000000000000, 0.0000956700000000, -0.0001238600000000 ] - [ 0.0000445300000000, 0.0000158200000000, 0.0000638100000000 ] - [ -0.0000445300000000, 0.0000158200000000, 0.0000638100000000 ] - [ 0.0000000000000000, 0.0000495800000000, 0.0000079700000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0041685600000000, -0.0061275900000000 ] - [ -0.0002162400000000, -0.0000390900000000, -0.0000556300000000 ] - [ 0.0002162400000000, -0.0000390900000000, -0.0000556300000000 ] - [ 0.0000000000000000, 0.0005039400000000, 0.0014866500000000 ] - [ 0.0001121600000000, 0.0000899200000000, 0.0007290200000000 ] - [ -0.0001121600000000, 0.0000899200000000, 0.0007290200000000 ] - [ 0.0012911300000000, 0.0013689300000000, -0.0041928600000000 ] - [ -0.0012911300000000, 0.0013689300000000, -0.0041928600000000 ] - [ 0.0000000000000000, -0.0000222400000000, 0.0002372800000000 ] - [ 0.0011504900000000, 0.0001967300000000, 0.0013206600000000 ] - [ -0.0011504900000000, 0.0001967300000000, 0.0013206600000000 ] - [ 0.0000000000000000, 0.0000058800000000, 0.0004784700000000 ] - [ 0.0000633500000000, 0.0004337500000000, -0.0000205800000000 ] - [ -0.0000633500000000, 0.0004337500000000, -0.0000205800000000 ] - [ 0.0000000000000000, 0.0000254300000000, 0.0001697000000000 ] - [ -0.0000701600000000, -0.0000709500000000, 0.0006530000000000 ] - [ 0.0000701600000000, -0.0000709500000000, 0.0006530000000000 ] - [ 0.0000000000000000, -0.0000597600000000, 0.0005343000000000 ] - [ 0.0000000000000000, 0.0001033200000000, 0.0002403600000000 ] - [ 0.0000581000000000, 0.0000508600000000, 0.0003130300000000 ] - [ -0.0000581000000000, 0.0000508600000000, 0.0003130300000000 ] - [ 0.0000000000000000, -0.0000468900000000, 0.0005490100000000 ] - [ -0.0000500400000000, 0.0000102500000000, 0.0004610200000000 ] - [ 0.0000500400000000, 0.0000102500000000, 0.0004610200000000 ] - [ 0.0000000000000000, -0.0082941900000000, -0.0120643600000000 ] - [ -0.0008741400000000, -0.0001864900000000, -0.0003527100000000 ] - [ 0.0008741400000000, -0.0001864900000000, -0.0003527100000000 ] - [ 0.0000000000000000, -0.0003056100000000, 0.0015689700000000 ] - [ 0.0000383500000000, -0.0000564900000000, 0.0004683100000000 ] - [ -0.0000383500000000, -0.0000564900000000, 0.0004683100000000 ] - [ -0.0004917000000000, 0.0006216900000000, 0.0000226700000000 ] - [ 0.0004917000000000, 0.0006216900000000, 0.0000226700000000 ] - [ 0.0000000000000000, 0.0000127400000000, -0.0000254700000000 ] - [ 0.0002135300000000, -0.0003665900000000, 0.0004176200000000 ] - [ -0.0002135300000000, -0.0003665900000000, 0.0004176200000000 ] - [ 0.0000000000000000, -0.0000318400000000, 0.0000939800000000 ] - [ 0.0001136300000000, -0.0001026600000000, -0.0002357600000000 ] - [ -0.0001136300000000, -0.0001026600000000, -0.0002357600000000 ] - [ 0.0000000000000000, 0.0000469200000000, -0.0000354300000000 ] - [ -0.0000262200000000, 0.0001149100000000, 0.0002381000000000 ] - [ 0.0000262200000000, 0.0001149100000000, 0.0002381000000000 ] - [ 0.0000000000000000, 0.0000850000000000, 0.0001381700000000 ] - [ 0.0000000000000000, -0.0007303200000000, 0.0001303500000000 ] - [ 0.0001726000000000, -0.0001587600000000, -0.0000280400000000 ] - [ -0.0001726000000000, -0.0001587600000000, -0.0000280400000000 ] - [ 0.0000000000000000, 0.0003833300000000, 0.0004134700000000 ] - [ -0.0000650200000000, 0.0000138000000000, 0.0002003100000000 ] - [ 0.0000650200000000, 0.0000138000000000, 0.0002003100000000 ] - [ 0.0000000000000000, -0.0007830600000000, -0.0061002000000000 ] - [ 0.0002262600000000, 0.0002791700000000, -0.0002873400000000 ] - [ -0.0002262600000000, 0.0002791700000000, -0.0002873400000000 ] - [ 0.0000000000000000, 0.0011731100000000, -0.0018989600000000 ] - [ -0.0004812100000000, 0.0001642300000000, -0.0008080000000000 ] - [ 0.0004812100000000, 0.0001642300000000, -0.0008080000000000 ] - [ 0.0006408500000000, -0.0006274500000000, 0.0005925700000000 ] - [ -0.0006408500000000, -0.0006274500000000, 0.0005925700000000 ] - [ 0.0000000000000000, -0.0003085100000000, -0.0002563500000000 ] - [ -0.0000172000000000, -0.0002026500000000, -0.0006470600000000 ] - [ 0.0000172000000000, -0.0002026500000000, -0.0006470600000000 ] - [ 0.0000000000000000, -0.0002299800000000, -0.0004612100000000 ] - [ 0.0000000000000000, 0.0017772500000000, 0.0318665100000000 ] - [ -0.0001978000000000, -0.0000111700000000, 0.0005498900000000 ] - [ 0.0001978000000000, -0.0000111700000000, 0.0005498900000000 ] - [ 0.0000000000000000, -0.0001587700000000, -0.0007687600000000 ] - [ 0.0001330000000000, -0.0000069000000000, -0.0001252100000000 ] - [ -0.0001330000000000, -0.0000069000000000, -0.0001252100000000 ] - [ 0.0002046500000000, -0.0003382400000000, -0.0000527800000000 ] - [ -0.0002046500000000, -0.0003382400000000, -0.0000527800000000 ] - [ 0.0000000000000000, -0.0000480600000000, 0.0001461300000000 ] - [ -0.0005441800000000, 0.0002750700000000, -0.0000506900000000 ] - [ 0.0005441800000000, 0.0002750700000000, -0.0000506900000000 ] - [ 0.0000000000000000, 0.0001030200000000, 0.0001466600000000 ] - [ 0.0000000000000000, -0.0007659800000000, -0.0001082900000000 ] - [ -0.0000748000000000, -0.0002645400000000, -0.0001451700000000 ] - [ 0.0000748000000000, -0.0002645400000000, -0.0001451700000000 ] - [ 0.0000000000000000, -0.0000361700000000, -0.0004645400000000 ] - [ 0.0001100300000000, -0.0001069700000000, -0.0001904000000000 ] - [ -0.0001100300000000, -0.0001069700000000, -0.0001904000000000 ] - [ -0.0017858300000000, -0.0012034200000000, 0.0000425200000000 ] - [ 0.0017858300000000, -0.0012034200000000, 0.0000425200000000 ] - [ 0.0000000000000000, 0.0002175200000000, 0.0000332200000000 ] - [ 0.0000320000000000, 0.0002342100000000, -0.0005762600000000 ] - [ -0.0000320000000000, 0.0002342100000000, -0.0005762600000000 ] - [ 0.0000000000000000, 0.0001949200000000, -0.0003215100000000 ] - [ -0.0003358400000000, 0.0001568000000000, 0.0000954700000000 ] - [ 0.0003358400000000, 0.0001568000000000, 0.0000954700000000 ] - [ 0.0000000000000000, -0.0000627900000000, -0.0000117600000000 ] - [ 0.0000518900000000, -0.0001926200000000, -0.0001946100000000 ] - [ -0.0000518900000000, -0.0001926200000000, -0.0001946100000000 ] - [ 0.0000000000000000, -0.0001119000000000, -0.0001174300000000 ] - [ 0.0000000000000000, 0.0025637400000000, 0.0001589200000000 ] - [ -0.0001522500000000, 0.0003380400000000, 0.0004681400000000 ] - [ 0.0001522500000000, 0.0003380400000000, 0.0004681400000000 ] - [ 0.0000000000000000, -0.0001114000000000, -0.0006902500000000 ] - [ 0.0000913400000000, 0.0000187300000000, -0.0002059700000000 ] - [ -0.0000913400000000, 0.0000187300000000, -0.0002059700000000 ] - [ -0.0000376000000000, 0.0002628100000000, -0.0003630100000000 ] - [ 0.0000376000000000, 0.0002628100000000, -0.0003630100000000 ] - [ 0.0000000000000000, 0.0002359700000000, -0.0003401800000000 ] - [ 0.0000195000000000, 0.0002437800000000, -0.0003710900000000 ] - [ -0.0000195000000000, 0.0002437800000000, -0.0003710900000000 ] - [ 0.0000000000000000, 0.0002634100000000, -0.0003658500000000 ] - [ 0.0000000000000000, 0.0000431700000000, -0.0001158500000000 ] - [ -0.0000000600000000, -0.0002257100000000, -0.0002335000000000 ] - [ 0.0000000600000000, -0.0002257100000000, -0.0002335000000000 ] - [ 0.0000000000000000, -0.0003061600000000, -0.0004973100000000 ] - [ 0.0000024600000000, -0.0002735500000000, -0.0004498300000000 ] - [ -0.0000024600000000, -0.0002735500000000, -0.0004498300000000 ] - [ 0.0000169400000000, -0.0000725500000000, 0.0002673500000000 ] - [ -0.0000169400000000, -0.0000725500000000, 0.0002673500000000 ] - [ 0.0000000000000000, -0.0000676000000000, 0.0001973600000000 ] - [ -0.0000091300000000, -0.0000297700000000, 0.0000523500000000 ] - [ 0.0000091300000000, -0.0000297700000000, 0.0000523500000000 ] - [ 0.0000000000000000, -0.0000457100000000, 0.0000877800000000 ] - [ 0.0000000000000000, 0.0001951600000000, 0.0000885700000000 ] - [ -0.0000562200000000, 0.0000860100000000, 0.0001160700000000 ] - [ 0.0000562200000000, 0.0000860100000000, 0.0001160700000000 ] - [ 0.0000000000000000, -0.0001392600000000, 0.0000899200000000 ] - [ 0.0000389700000000, -0.0000091000000000, 0.0001166100000000 ] - [ -0.0000389700000000, -0.0000091000000000, 0.0001166100000000 ] - [ 0.0002434600000000, 0.0001029700000000, -0.0002170900000000 ] - [ -0.0002434600000000, 0.0001029700000000, -0.0002170900000000 ] - [ 0.0000000000000000, -0.0001211500000000, -0.0001532700000000 ] - [ -0.0000796200000000, -0.0002752800000000, -0.0002259800000000 ] - [ 0.0000796200000000, -0.0002752800000000, -0.0002259800000000 ] - [ 0.0000000000000000, -0.0002088000000000, -0.0001945800000000 ] - [ 0.0000000000000000, 0.0004222900000000, 0.0000137000000000 ] - [ 0.0000479400000000, 0.0002005300000000, -0.0000533500000000 ] - [ -0.0000479400000000, 0.0002005300000000, -0.0000533500000000 ] - [ 0.0000000000000000, 0.0001184500000000, -0.0002677400000000 ] - [ -0.0000128700000000, 0.0001416000000000, -0.0002229400000000 ] - [ 0.0000128700000000, 0.0001416000000000, -0.0002229400000000 ] - [ 0.0000000000000000, -0.0007966100000000, 0.0001373100000000 ] - [ 0.0002498300000000, -0.0002129800000000, -0.0001117600000000 ] - [ -0.0002498300000000, -0.0002129800000000, -0.0001117600000000 ] - [ 0.0000000000000000, 0.0002853900000000, -0.0004892500000000 ] - [ -0.0000335600000000, -0.0000239500000000, -0.0001181600000000 ] - [ 0.0000335600000000, -0.0000239500000000, -0.0001181600000000 ] - [ 0.0000958700000000, -0.0000877700000000, 0.0000815800000000 ] - [ -0.0000958700000000, -0.0000877700000000, 0.0000815800000000 ] - [ 0.0000000000000000, 0.0000348900000000, 0.0000086800000000 ] - [ -0.0000445800000000, 0.0001149900000000, -0.0001786800000000 ] - [ 0.0000445800000000, 0.0001149900000000, -0.0001786800000000 ] - [ 0.0000000000000000, 0.0000811100000000, -0.0001230100000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0024004000000000, -0.0000257800000000, 0.0003675400000000 ] - [ -0.0009523200000000, 0.0000708300000000, 0.0010120300000000 ] - [ -0.0009530000000000, -0.0001187100000000, -0.0002644600000000 ] - [ 0.0061247100000000, -0.0000175300000000, 0.0003517000000000 ] - [ -0.0012148200000000, 0.0003305100000000, -0.0002622300000000 ] - [ -0.0012168500000000, -0.0003790500000000, 0.0010122400000000 ] - [ 0.0002792700000000, -0.0012277600000000, 0.0000761800000000 ] - [ 0.0002821900000000, 0.0012750500000000, 0.0006723300000000 ] - [ -0.0006335100000000, 0.0000240600000000, 0.0003741000000000 ] - [ 0.0001382700000000, -0.0002509300000000, 0.0004337400000000 ] - [ 0.0001395800000000, 0.0002992400000000, 0.0003143700000000 ] - [ -0.0002992900000000, 0.0000239800000000, 0.0003738900000000 ] - [ 0.0001295000000000, 0.0001800100000000, 0.0001891100000000 ] - [ 0.0001304000000000, -0.0002279300000000, 0.0005583900000000 ] - [ -0.0002866200000000, -0.0000242200000000, 0.0003739300000000 ] - [ 0.0001297400000000, 0.0001423400000000, 0.0004503600000000 ] - [ 0.0001308700000000, -0.0001899500000000, 0.0002975600000000 ] - [ -0.0002670300000000, -0.0000244500000000, 0.0003739400000000 ] - [ 0.0035621700000000, 0.0000296200000000, 0.0003724400000000 ] - [ -0.0011385000000000, -0.0006820200000000, 0.0001003400000000 ] - [ -0.0011397500000000, 0.0007303200000000, 0.0006462700000000 ] - [ 0.0004544500000000, 0.0000243700000000, 0.0003743800000000 ] - [ -0.0002080900000000, -0.0001101900000000, 0.0004134200000000 ] - [ -0.0002086600000000, 0.0001578400000000, 0.0003342800000000 ] - [ 0.0002679900000000, 0.0000438800000000, 0.0000451900000000 ] - [ -0.0001242100000000, 0.0002046400000000, 0.0001582400000000 ] - [ -0.0001244400000000, -0.0001154700000000, -0.0000670600000000 ] - [ 0.0002940900000000, 0.0000437400000000, 0.0000454100000000 ] - [ -0.0001356300000000, 0.0002522000000000, -0.0001331200000000 ] - [ -0.0001360400000000, -0.0001626600000000, 0.0002237900000000 ] - [ 0.0151573200000000, 0.0011390000000000, 0.0011676600000000 ] - [ 0.0162210000000000, -0.0013359800000000, -0.0011960300000000 ] - [ -0.0014101200000000, -0.0000439400000000, 0.0000455200000000 ] - [ 0.0001746600000000, 0.0000124400000000, 0.0001644900000000 ] - [ 0.0001755300000000, -0.0001006500000000, -0.0000734600000000 ] - [ -0.0003534100000000, -0.0000439700000000, 0.0000456800000000 ] - [ 0.0004815500000000, 0.0005327500000000, -0.0014380600000000 ] - [ 0.0004852100000000, -0.0004433400000000, 0.0015303500000000 ] - [ -0.0006824300000000, 0.0000444000000000, 0.0000453500000000 ] - [ 0.0003700900000000, 0.0013499000000000, 0.0008493300000000 ] - [ 0.0003756700000000, -0.0012629200000000, -0.0007565800000000 ] - [ -0.0006672000000000, 0.0000444000000000, 0.0000454500000000 ] - [ 0.0001838700000000, -0.0000437700000000, 0.0000457400000000 ] - [ -0.0000910300000000, -0.0000699900000000, -0.0000082500000000 ] - [ -0.0000913300000000, -0.0000182400000000, 0.0000994800000000 ] - [ 0.0001243200000000, -0.0000440200000000, 0.0000457200000000 ] - [ -0.0000632900000000, -0.0000422400000000, 0.0000478200000000 ] - [ -0.0000635600000000, -0.0000459100000000, 0.0000435100000000 ] - [ -0.0001393600000000, 0.0002568100000000, -0.0003531600000000 ] - [ 0.0000692300000000, 0.0002033500000000, -0.0004262300000000 ] - [ 0.0000694400000000, 0.0003099300000000, -0.0002805200000000 ] - [ -0.0004535500000000, 0.0002577600000000, -0.0003537900000000 ] - [ 0.0003240200000000, -0.0000461500000000, -0.0003709100000000 ] - [ 0.0003237200000000, 0.0005588100000000, -0.0003360000000000 ] - [ 0.0013851300000000, 0.0009969400000000, 0.0014846000000000 ] - [ 0.0013857400000000, -0.0015166100000000, -0.0022002200000000 ] - [ 0.0004238400000000, -0.0002568400000000, -0.0003532600000000 ] - [ -0.0002101200000000, -0.0000869600000000, -0.0008410100000000 ] - [ -0.0002118300000000, -0.0004275800000000, 0.0001359000000000 ] - [ 0.0004376600000000, -0.0002569100000000, -0.0003530900000000 ] - [ -0.0004493400000000, -0.0000525300000000, 0.0001406900000000 ] - [ 0.0003212000000000, -0.0002870600000000, 0.0000650900000000 ] - [ 0.0003212900000000, 0.0001797400000000, 0.0002141300000000 ] - [ -0.0001872900000000, -0.0000513100000000, 0.0001389100000000 ] - [ 0.0001042200000000, -0.0001911900000000, 0.0002496400000000 ] - [ 0.0001044600000000, 0.0000837500000000, 0.0000298300000000 ] - [ 0.0016845600000000, 0.0015775800000000, -0.0016468700000000 ] - [ 0.0016906900000000, -0.0014837600000000, 0.0019368400000000 ] - [ 0.0004804500000000, 0.0000534900000000, 0.0001393400000000 ] - [ -0.0001165400000000, 0.0000790800000000, 0.0001727000000000 ] - [ -0.0001171800000000, 0.0000280000000000, 0.0001065900000000 ] - [ 0.0002981500000000, 0.0000533200000000, 0.0001395700000000 ] - [ -0.0567723100000000, -0.0000713400000000, -0.0000121200000000 ] - [ 0.0012009500000000, -0.0001798800000000, -0.0000735500000000 ] - [ 0.0012043400000000, -0.0001591800000000, -0.0002233000000000 ] - [ -0.0004660300000000, -0.0001699200000000, -0.0001481400000000 ] - [ 0.0002326400000000, -0.0001656500000000, -0.0001720700000000 ] - [ 0.0002328400000000, -0.0001737000000000, -0.0001241300000000 ] - [ -0.0000793100000000, 0.0002535300000000, -0.0000333800000000 ] - [ -0.0000797700000000, 0.0000856000000000, -0.0002634600000000 ] - [ 0.0001854000000000, 0.0001695200000000, -0.0001483600000000 ] - [ -0.0000791200000000, 0.0002585600000000, -0.0001733500000000 ] - [ -0.0000799600000000, 0.0000806800000000, -0.0001232900000000 ] - [ 0.0001854000000000, 0.0001695100000000, -0.0001482600000000 ] - [ -0.0001456700000000, -0.0000534800000000, 0.0003968800000000 ] - [ -0.0001469800000000, -0.0000783900000000, -0.0005119000000000 ] - [ 0.0003185500000000, -0.0000658300000000, -0.0000575900000000 ] - [ 0.0020289500000000, -0.0001725000000000, -0.0030562000000000 ] - [ 0.0020380800000000, 0.0000444000000000, 0.0029629500000000 ] - [ 0.0005438500000000, -0.0000657700000000, -0.0000577800000000 ] - [ -0.0002082900000000, 0.0000658600000000, -0.0000575700000000 ] - [ 0.0001057300000000, -0.0000449600000000, -0.0000554500000000 ] - [ 0.0001059200000000, 0.0001762200000000, -0.0000597900000000 ] - [ -0.0000988400000000, 0.0000659800000000, -0.0000577100000000 ] - [ 0.0000514200000000, 0.0000283900000000, -0.0000365800000000 ] - [ 0.0000516300000000, 0.0001028900000000, -0.0000784900000000 ] - [ -0.0001099800000000, 0.0001566700000000, -0.0002397400000000 ] - [ -0.0001104700000000, 0.0003568300000000, -0.0004669100000000 ] - [ 0.0002103200000000, 0.0002568600000000, -0.0003535000000000 ] - [ -0.0001201900000000, -0.0001338800000000, -0.0004369900000000 ] - [ -0.0001220200000000, 0.0006465300000000, -0.0002702100000000 ] - [ 0.0002836700000000, 0.0002568100000000, -0.0003533100000000 ] - [ -0.0002553800000000, -0.0002575000000000, -0.0003528500000000 ] - [ 0.0001178000000000, -0.0001564700000000, -0.0003760500000000 ] - [ 0.0001180000000000, -0.0003571700000000, -0.0003306100000000 ] - [ -0.0000912300000000, -0.0002568300000000, -0.0003533400000000 ] - [ 0.0000467600000000, -0.0002504800000000, -0.0003565100000000 ] - [ 0.0000469700000000, -0.0002631400000000, -0.0003501300000000 ] - [ -0.0000906200000000, -0.0008996500000000, 0.0003811400000000 ] - [ -0.0000920200000000, 0.0007935500000000, -0.0001018300000000 ] - [ 0.0002706800000000, -0.0000535700000000, 0.0001396100000000 ] - [ -0.0000880600000000, -0.0001310100000000, 0.0000599400000000 ] - [ -0.0000887500000000, 0.0000238100000000, 0.0002189200000000 ] - [ 0.0002007700000000, -0.0000534300000000, 0.0001397900000000 ] - [ -0.0002049300000000, 0.0000529400000000, 0.0001391800000000 ] - [ 0.0000905600000000, 0.0001523300000000, 0.0001875600000000 ] - [ 0.0000909200000000, -0.0000452700000000, 0.0000917800000000 ] - [ -0.0001283400000000, 0.0000533400000000, 0.0001396300000000 ] - [ 0.0000627300000000, 0.0000845200000000, 0.0001265900000000 ] - [ 0.0000629200000000, 0.0000225200000000, 0.0001525600000000 ] - [ -0.0000896200000000, -0.0001398600000000, -0.0001454500000000 ] - [ -0.0000900200000000, -0.0001996600000000, -0.0001507300000000 ] - [ 0.0001817500000000, -0.0001696600000000, -0.0001480900000000 ] - [ -0.0000469100000000, -0.0001621800000000, -0.0001190200000000 ] - [ -0.0000472500000000, -0.0001772700000000, -0.0001772500000000 ] - [ 0.0000975500000000, -0.0001697200000000, -0.0001481100000000 ] - [ -0.0006155600000000, 0.0001685300000000, -0.0001468900000000 ] - [ 0.0004716600000000, 0.0003154500000000, -0.0004531500000000 ] - [ 0.0004710100000000, 0.0000239900000000, 0.0001559100000000 ] - [ -0.0006155600000000, 0.0001683600000000, -0.0001506600000000 ] - [ 0.0004717600000000, 0.0004484200000000, 0.0000359500000000 ] - [ 0.0004708900000000, -0.0001082500000000, -0.0003322900000000 ] - [ -0.0001200400000000, -0.0000657900000000, -0.0000575300000000 ] - [ 0.0000579900000000, -0.0000696700000000, -0.0000756000000000 ] - [ 0.0000581600000000, -0.0000619000000000, -0.0000395600000000 ] - [ -0.0001148400000000, -0.0000658200000000, -0.0000576500000000 ] - [ 0.0000610000000000, -0.0001088400000000, -0.0000193600000000 ] - [ 0.0000612000000000, -0.0000228500000000, -0.0000956800000000 ] - [ 0.0025127600000000, -0.0025548300000000, 0.0022173400000000 ] - [ 0.0025186700000000, 0.0027043800000000, -0.0023455000000000 ] - [ 0.0005439700000000, 0.0000655500000000, -0.0000574300000000 ] - [ -0.0000842700000000, -0.0000474000000000, -0.0002932000000000 ] - [ -0.0000851000000000, 0.0001789000000000, 0.0001786300000000 ] - [ 0.0002109400000000, 0.0000657000000000, -0.0000574900000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0008673800000000, -0.0015608600000000 ] - [ 0.0003469600000000, 0.0004332900000000, 0.0001774300000000 ] - [ -0.0003469600000000, 0.0004332900000000, 0.0001774300000000 ] - [ 0.0000000000000000, 0.0031485300000000, 0.0003027100000000 ] - [ 0.0002209700000000, 0.0005653200000000, 0.0005697500000000 ] - [ -0.0002209700000000, 0.0005653200000000, 0.0005697500000000 ] - [ -0.0005719700000000, -0.0012839900000000, 0.0000150600000000 ] - [ 0.0005719700000000, -0.0012839900000000, 0.0000150600000000 ] - [ 0.0000000000000000, 0.0000056500000000, 0.0003642200000000 ] - [ -0.0000864800000000, -0.0000927100000000, 0.0004369500000000 ] - [ 0.0000864800000000, -0.0000927100000000, 0.0004369500000000 ] - [ 0.0000000000000000, -0.0000356000000000, 0.0003856700000000 ] - [ 0.0001434200000000, -0.0004714300000000, 0.0005934400000000 ] - [ -0.0001434200000000, -0.0004714300000000, 0.0005934400000000 ] - [ 0.0000000000000000, -0.0002766100000000, 0.0004108400000000 ] - [ 0.0000851600000000, -0.0004390700000000, 0.0002577400000000 ] - [ -0.0000851600000000, -0.0004390700000000, 0.0002577400000000 ] - [ 0.0000000000000000, -0.0002370500000000, 0.0003460000000000 ] - [ 0.0000000000000000, -0.0044586100000000, 0.0005366200000000 ] - [ -0.0006682100000000, -0.0001633900000000, 0.0000781500000000 ] - [ 0.0006682100000000, -0.0001633900000000, 0.0000781500000000 ] - [ 0.0000000000000000, -0.0000310100000000, 0.0003477400000000 ] - [ -0.0000560600000000, 0.0000394100000000, 0.0004497000000000 ] - [ 0.0000560600000000, 0.0000394100000000, 0.0004497000000000 ] - [ 0.0000000000000000, -0.0005012200000000, -0.0002022300000000 ] - [ 0.0000718600000000, -0.0001448400000000, -0.0000647500000000 ] - [ -0.0000718600000000, -0.0001448400000000, -0.0000647500000000 ] - [ 0.0000000000000000, -0.0004771500000000, 0.0003421300000000 ] - [ 0.0000872400000000, -0.0001791700000000, 0.0001807400000000 ] - [ -0.0000872400000000, -0.0001791700000000, 0.0001807400000000 ] - [ 0.0008725900000000, 0.0049946100000000, -0.0000593600000000 ] - [ -0.0008725900000000, 0.0049946100000000, -0.0000593600000000 ] - [ 0.0000000000000000, 0.0001349300000000, 0.0000302200000000 ] - [ -0.0001083900000000, 0.0003456800000000, 0.0001247500000000 ] - [ 0.0001083900000000, 0.0003456800000000, 0.0001247500000000 ] - [ 0.0000000000000000, 0.0001604900000000, 0.0000724900000000 ] - [ 0.0000829900000000, 0.0001285000000000, 0.0011189800000000 ] - [ -0.0000829900000000, 0.0001285000000000, 0.0011189800000000 ] - [ 0.0000000000000000, 0.0001901300000000, 0.0000906800000000 ] - [ 0.0004209900000000, -0.0001581300000000, -0.0006062300000000 ] - [ -0.0004209900000000, -0.0001581300000000, -0.0006062300000000 ] - [ 0.0000000000000000, 0.0001920100000000, 0.0000255800000000 ] - [ 0.0000000000000000, -0.0006165900000000, -0.0000879400000000 ] - [ -0.0000237100000000, -0.0003581400000000, 0.0000329700000000 ] - [ 0.0000237100000000, -0.0003581400000000, 0.0000329700000000 ] - [ 0.0000000000000000, -0.0002883700000000, 0.0000680000000000 ] - [ -0.0000111500000000, -0.0002280600000000, 0.0000553100000000 ] - [ 0.0000111500000000, -0.0002280600000000, 0.0000553100000000 ] - [ 0.0000000000000000, 0.0003192800000000, -0.0002262500000000 ] - [ -0.0000259000000000, 0.0002799900000000, -0.0003147800000000 ] - [ 0.0000259000000000, 0.0002799900000000, -0.0003147800000000 ] - [ 0.0000000000000000, 0.0007021600000000, -0.0005119500000000 ] - [ -0.0002588800000000, 0.0004898600000000, -0.0004209900000000 ] - [ 0.0002588800000000, 0.0004898600000000, -0.0004209900000000 ] - [ 0.0013650200000000, -0.0001640000000000, 0.0006294100000000 ] - [ -0.0013650200000000, -0.0001640000000000, 0.0006294100000000 ] - [ 0.0000000000000000, -0.0003814500000000, -0.0004046300000000 ] - [ 0.0001529600000000, -0.0004743900000000, -0.0005053700000000 ] - [ -0.0001529600000000, -0.0004743900000000, -0.0005053700000000 ] - [ 0.0000000000000000, -0.0002767000000000, -0.0004281900000000 ] - [ 0.0000000000000000, 0.0004150200000000, 0.0007366600000000 ] - [ -0.0001913600000000, 0.0000638500000000, 0.0002341800000000 ] - [ 0.0001913600000000, 0.0000638500000000, 0.0002341800000000 ] - [ 0.0000000000000000, 0.0001077500000000, 0.0000053000000000 ] - [ -0.0000354400000000, -0.0000294100000000, 0.0000768500000000 ] - [ 0.0000354400000000, -0.0000294100000000, 0.0000768500000000 ] - [ 0.0022927300000000, 0.0007727500000000, -0.0012349500000000 ] - [ -0.0022927300000000, 0.0007727500000000, -0.0012349500000000 ] - [ 0.0000000000000000, -0.0000650500000000, 0.0001873400000000 ] - [ 0.0000500000000000, -0.0000693000000000, 0.0002053500000000 ] - [ -0.0000500000000000, -0.0000693000000000, 0.0002053500000000 ] - [ 0.0000000000000000, -0.0000090100000000, 0.0001651100000000 ] - [ 0.0000000000000000, -0.0115604800000000, 0.0029804200000000 ] - [ 0.0000091900000000, -0.0008116100000000, -0.0000929400000000 ] - [ -0.0000091900000000, -0.0008116100000000, -0.0000929400000000 ] - [ 0.0000000000000000, -0.0004324600000000, -0.0001809600000000 ] - [ -0.0000041000000000, -0.0003127800000000, -0.0001290300000000 ] - [ 0.0000041000000000, -0.0003127800000000, -0.0001290300000000 ] - [ 0.0000885900000000, 0.0003828200000000, -0.0000159400000000 ] - [ -0.0000885900000000, 0.0003828200000000, -0.0000159400000000 ] - [ 0.0000000000000000, 0.0002638300000000, -0.0001052400000000 ] - [ 0.0000837200000000, 0.0003828300000000, -0.0002191800000000 ] - [ -0.0000837200000000, 0.0003828300000000, -0.0002191800000000 ] - [ 0.0000000000000000, 0.0002637200000000, -0.0001906200000000 ] - [ 0.0000257800000000, -0.0004005300000000, -0.0001891500000000 ] - [ -0.0000257800000000, -0.0004005300000000, -0.0001891500000000 ] - [ 0.0000000000000000, -0.0002489500000000, -0.0000972000000000 ] - [ -0.0011527500000000, -0.0006752900000000, 0.0010747000000000 ] - [ 0.0011527500000000, -0.0006752900000000, 0.0010747000000000 ] - [ 0.0000000000000000, -0.0002292600000000, -0.0000661400000000 ] - [ 0.0000000000000000, 0.0004606400000000, -0.0000243200000000 ] - [ -0.0000605900000000, 0.0002869600000000, -0.0000502200000000 ] - [ 0.0000605900000000, 0.0002869600000000, -0.0000502200000000 ] - [ 0.0000000000000000, 0.0002064000000000, -0.0001078000000000 ] - [ -0.0000197200000000, 0.0001544300000000, -0.0000937000000000 ] - [ 0.0000197200000000, 0.0001544300000000, -0.0000937000000000 ] - [ -0.0000268300000000, 0.0002749800000000, -0.0004750700000000 ] - [ 0.0000268300000000, 0.0002749800000000, -0.0004750700000000 ] - [ 0.0000000000000000, 0.0002788500000000, -0.0004284900000000 ] - [ -0.0002969200000000, 0.0004009300000000, -0.0000825700000000 ] - [ 0.0002969200000000, 0.0004009300000000, -0.0000825700000000 ] - [ 0.0000000000000000, 0.0002393600000000, -0.0002386200000000 ] - [ 0.0000000000000000, 0.0004876200000000, -0.0005332200000000 ] - [ 0.0000667200000000, -0.0000710200000000, -0.0003432900000000 ] - [ -0.0000667200000000, -0.0000710200000000, -0.0003432900000000 ] - [ 0.0000000000000000, -0.0001411500000000, -0.0003366900000000 ] - [ 0.0000189200000000, -0.0001764500000000, -0.0003455800000000 ] - [ -0.0000189200000000, -0.0001764500000000, -0.0003455800000000 ] - [ -0.0002012800000000, 0.0004544400000000, -0.0001327600000000 ] - [ 0.0002012800000000, 0.0004544400000000, -0.0001327600000000 ] - [ 0.0000000000000000, -0.0000276100000000, 0.0000907500000000 ] - [ -0.0000360000000000, -0.0000137100000000, 0.0002450300000000 ] - [ 0.0000360000000000, -0.0000137100000000, 0.0002450300000000 ] - [ 0.0000000000000000, -0.0000248400000000, 0.0001783500000000 ] - [ 0.0000000000000000, 0.0005200600000000, 0.0003929500000000 ] - [ 0.0000507600000000, 0.0002288300000000, 0.0001703400000000 ] - [ -0.0000507600000000, 0.0002288300000000, 0.0001703400000000 ] - [ 0.0000000000000000, 0.0001885300000000, 0.0000878800000000 ] - [ 0.0000257500000000, 0.0001406500000000, 0.0001113000000000 ] - [ -0.0000257500000000, 0.0001406500000000, 0.0001113000000000 ] - [ -0.0000302700000000, 0.0000338100000000, -0.0001492900000000 ] - [ 0.0000302700000000, 0.0000338100000000, -0.0001492900000000 ] - [ 0.0000000000000000, -0.0000167400000000, -0.0001582800000000 ] - [ -0.0000076400000000, -0.0000588700000000, -0.0001967200000000 ] - [ 0.0000076400000000, -0.0000588700000000, -0.0001967200000000 ] - [ 0.0000000000000000, -0.0000825100000000, -0.0001660300000000 ] - [ 0.0000000000000000, 0.0000424700000000, -0.0006360700000000 ] - [ 0.0002787400000000, 0.0001422600000000, -0.0003892000000000 ] - [ -0.0002787400000000, 0.0001422600000000, -0.0003892000000000 ] - [ 0.0000000000000000, 0.0000439700000000, 0.0003637900000000 ] - [ 0.0001452700000000, 0.0001416900000000, -0.0000678900000000 ] - [ -0.0001452700000000, 0.0001416900000000, -0.0000678900000000 ] - [ 0.0000000000000000, 0.0001263600000000, -0.0000497700000000 ] - [ -0.0000017200000000, 0.0000672800000000, -0.0000337600000000 ] - [ 0.0000017200000000, 0.0000672800000000, -0.0000337600000000 ] - [ 0.0000000000000000, 0.0002249900000000, -0.0000211900000000 ] - [ -0.0000090900000000, 0.0001111100000000, -0.0000298500000000 ] - [ 0.0000090900000000, 0.0001111100000000, -0.0000298500000000 ] - [ -0.0026268700000000, 0.0009657200000000, -0.0015717100000000 ] - [ 0.0026268700000000, 0.0009657200000000, -0.0015717100000000 ] - [ 0.0000000000000000, -0.0000927900000000, 0.0000057500000000 ] - [ -0.0000756000000000, -0.0000350200000000, 0.0001173400000000 ] - [ 0.0000756000000000, -0.0000350200000000, 0.0001173400000000 ] - [ 0.0000000000000000, -0.0000202900000000, -0.0000368700000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0009218500000000, 0.0022968900000000 ] - [ -0.0003447900000000, -0.0004798300000000, 0.0005693200000000 ] - [ 0.0003447900000000, -0.0004798300000000, 0.0005693200000000 ] - [ 0.0000000000000000, -0.0032199400000000, 0.0005130300000000 ] - [ -0.0002183000000000, -0.0006145800000000, 0.0001798500000000 ] - [ 0.0002183000000000, -0.0006145800000000, 0.0001798500000000 ] - [ 0.0005793000000000, 0.0013365700000000, 0.0007351200000000 ] - [ -0.0005793000000000, 0.0013365700000000, 0.0007351200000000 ] - [ 0.0000000000000000, 0.0000409400000000, 0.0003846400000000 ] - [ 0.0000862000000000, 0.0001393100000000, 0.0003114100000000 ] - [ -0.0000862000000000, 0.0001393100000000, 0.0003114100000000 ] - [ 0.0000000000000000, 0.0000822000000000, 0.0003628200000000 ] - [ -0.0001416300000000, 0.0004236500000000, 0.0001562100000000 ] - [ 0.0001416300000000, 0.0004236500000000, 0.0001562100000000 ] - [ 0.0000000000000000, 0.0002290200000000, 0.0003376000000000 ] - [ -0.0000842000000000, 0.0003908500000000, 0.0004897500000000 ] - [ 0.0000842000000000, 0.0003908500000000, 0.0004897500000000 ] - [ 0.0000000000000000, 0.0001894300000000, 0.0004022600000000 ] - [ 0.0000000000000000, 0.0045585100000000, 0.0002039300000000 ] - [ 0.0006691600000000, 0.0002132200000000, 0.0006694600000000 ] - [ -0.0006691600000000, 0.0002132200000000, 0.0006694600000000 ] - [ 0.0000000000000000, 0.0000782500000000, 0.0003994800000000 ] - [ 0.0000556000000000, 0.0000088200000000, 0.0002992600000000 ] - [ -0.0000556000000000, 0.0000088200000000, 0.0002992600000000 ] - [ 0.0000000000000000, 0.0005906100000000, 0.0002934100000000 ] - [ -0.0000721500000000, 0.0002332200000000, 0.0001547000000000 ] - [ 0.0000721500000000, 0.0002332200000000, 0.0001547000000000 ] - [ 0.0000000000000000, 0.0005659300000000, -0.0002534500000000 ] - [ -0.0000875300000000, 0.0002680300000000, -0.0000904500000000 ] - [ 0.0000875300000000, 0.0002680300000000, -0.0000904500000000 ] - [ -0.0008179900000000, -0.0050511500000000, 0.0001573400000000 ] - [ 0.0008179900000000, -0.0050511500000000, 0.0001573400000000 ] - [ 0.0000000000000000, -0.0002229100000000, 0.0000598400000000 ] - [ 0.0001089800000000, -0.0004334100000000, -0.0000344900000000 ] - [ -0.0001089800000000, -0.0004334100000000, -0.0000344900000000 ] - [ 0.0000000000000000, -0.0002486400000000, 0.0000180200000000 ] - [ -0.0000833400000000, -0.0000367500000000, -0.0010296000000000 ] - [ 0.0000833400000000, -0.0000367500000000, -0.0010296000000000 ] - [ 0.0000000000000000, -0.0000998800000000, -0.0000007100000000 ] - [ -0.0004144900000000, 0.0002531800000000, 0.0006926300000000 ] - [ 0.0004144900000000, 0.0002531800000000, 0.0006926300000000 ] - [ 0.0000000000000000, -0.0001018700000000, 0.0000644300000000 ] - [ 0.0000000000000000, 0.0005254400000000, 0.0001768800000000 ] - [ 0.0000232600000000, 0.0002691700000000, 0.0000575800000000 ] - [ -0.0000232600000000, 0.0002691700000000, 0.0000575800000000 ] - [ 0.0000000000000000, 0.0001995400000000, 0.0000226500000000 ] - [ 0.0000110000000000, 0.0001395100000000, 0.0000350400000000 ] - [ -0.0000110000000000, 0.0001395100000000, 0.0000350400000000 ] - [ 0.0000000000000000, 0.0001947200000000, -0.0004801500000000 ] - [ 0.0000258800000000, 0.0002335900000000, -0.0003909900000000 ] - [ -0.0000258800000000, 0.0002335900000000, -0.0003909900000000 ] - [ 0.0000000000000000, -0.0001874700000000, -0.0001912600000000 ] - [ 0.0002591400000000, 0.0000237100000000, -0.0002850000000000 ] - [ -0.0002591400000000, 0.0000237100000000, -0.0002850000000000 ] - [ -0.0013609700000000, -0.0003413000000000, -0.0013320700000000 ] - [ 0.0013609700000000, -0.0003413000000000, -0.0013320700000000 ] - [ 0.0000000000000000, -0.0001318100000000, -0.0003010900000000 ] - [ -0.0001527300000000, -0.0000386000000000, -0.0002020200000000 ] - [ 0.0001527300000000, -0.0000386000000000, -0.0002020200000000 ] - [ 0.0000000000000000, -0.0002366700000000, -0.0002779600000000 ] - [ 0.0000000000000000, -0.0005241300000000, -0.0004629500000000 ] - [ 0.0001907700000000, -0.0001702700000000, 0.0000448200000000 ] - [ -0.0001907700000000, -0.0001702700000000, 0.0000448200000000 ] - [ 0.0000000000000000, -0.0002098600000000, 0.0002724800000000 ] - [ 0.0000354600000000, -0.0000775300000000, 0.0002021000000000 ] - [ -0.0000354600000000, -0.0000775300000000, 0.0002021000000000 ] - [ -0.0023006500000000, -0.0006640100000000, 0.0015211300000000 ] - [ 0.0023006500000000, -0.0006640100000000, 0.0015211300000000 ] - [ 0.0000000000000000, 0.0001726500000000, 0.0000915000000000 ] - [ -0.0000499600000000, 0.0001766600000000, 0.0000742800000000 ] - [ 0.0000499600000000, 0.0001766600000000, 0.0000742800000000 ] - [ 0.0000000000000000, 0.0001164100000000, 0.0001141200000000 ] - [ 0.0000000000000000, 0.0111095300000000, -0.0033168700000000 ] - [ -0.0000114800000000, 0.0004725100000000, -0.0002030900000000 ] - [ 0.0000114800000000, 0.0004725100000000, -0.0002030900000000 ] - [ 0.0000000000000000, 0.0000932700000000, -0.0001148100000000 ] - [ 0.0000039600000000, -0.0000267200000000, -0.0001673100000000 ] - [ -0.0000039600000000, -0.0000267200000000, -0.0001673100000000 ] - [ -0.0000892900000000, -0.0000437700000000, -0.0002810100000000 ] - [ 0.0000892900000000, -0.0000437700000000, -0.0002810100000000 ] - [ 0.0000000000000000, 0.0000756900000000, -0.0001915300000000 ] - [ -0.0000842000000000, -0.0000437500000000, -0.0000771800000000 ] - [ 0.0000842000000000, -0.0000437500000000, -0.0000771800000000 ] - [ 0.0000000000000000, 0.0000755800000000, -0.0001061100000000 ] - [ -0.0000257200000000, 0.0002688000000000, 0.0000746100000000 ] - [ 0.0000257200000000, 0.0002688000000000, 0.0000746100000000 ] - [ 0.0000000000000000, 0.0001175700000000, -0.0000179000000000 ] - [ 0.0011617600000000, 0.0005356100000000, -0.0012016100000000 ] - [ -0.0011617600000000, 0.0005356100000000, -0.0012016100000000 ] - [ 0.0000000000000000, 0.0000983100000000, -0.0000492700000000 ] - [ 0.0000000000000000, -0.0003290700000000, -0.0000904600000000 ] - [ 0.0000608400000000, -0.0001558300000000, -0.0000650500000000 ] - [ -0.0000608400000000, -0.0001558300000000, -0.0000650500000000 ] - [ 0.0000000000000000, -0.0000748600000000, -0.0000073500000000 ] - [ 0.0000198400000000, -0.0000234200000000, -0.0000212700000000 ] - [ -0.0000198400000000, -0.0000234200000000, -0.0000212700000000 ] - [ 0.0000266800000000, 0.0002378100000000, -0.0002310600000000 ] - [ -0.0000266800000000, 0.0002378100000000, -0.0002310600000000 ] - [ 0.0000000000000000, 0.0002341600000000, -0.0002777000000000 ] - [ 0.0002933600000000, 0.0001109400000000, -0.0006218900000000 ] - [ -0.0002933600000000, 0.0001109400000000, -0.0006218900000000 ] - [ 0.0000000000000000, 0.0002733800000000, -0.0004668300000000 ] - [ 0.0000000000000000, -0.0009946200000000, -0.0001760700000000 ] - [ -0.0000664900000000, -0.0004421000000000, -0.0003626600000000 ] - [ 0.0000664900000000, -0.0004421000000000, -0.0003626600000000 ] - [ 0.0000000000000000, -0.0003719000000000, -0.0003689200000000 ] - [ -0.0000186500000000, -0.0003368400000000, -0.0003601700000000 ] - [ 0.0000186500000000, -0.0003368400000000, -0.0003601700000000 ] - [ 0.0001998200000000, -0.0005636300000000, 0.0004108000000000 ] - [ -0.0001998200000000, -0.0005636300000000, 0.0004108000000000 ] - [ 0.0000000000000000, -0.0000800400000000, 0.0001882800000000 ] - [ 0.0000354500000000, -0.0000940600000000, 0.0000346200000000 ] - [ -0.0000354500000000, -0.0000940600000000, 0.0000346200000000 ] - [ 0.0000000000000000, -0.0000829300000000, 0.0001004300000000 ] - [ 0.0000000000000000, -0.0004098300000000, -0.0001108600000000 ] - [ -0.0000503200000000, -0.0001212300000000, 0.0001086400000000 ] - [ 0.0000503200000000, -0.0001212300000000, 0.0001086400000000 ] - [ 0.0000000000000000, -0.0000811300000000, 0.0001907800000000 ] - [ -0.0000255400000000, -0.0000334300000000, 0.0001675200000000 ] - [ 0.0000255400000000, -0.0000334300000000, 0.0001675200000000 ] - [ 0.0000295400000000, -0.0003722200000000, -0.0001471300000000 ] - [ -0.0000295400000000, -0.0003722200000000, -0.0001471300000000 ] - [ 0.0000000000000000, -0.0003222100000000, -0.0001382000000000 ] - [ 0.0000074600000000, -0.0002800700000000, -0.0000999100000000 ] - [ -0.0000074600000000, -0.0002800700000000, -0.0000999100000000 ] - [ 0.0000000000000000, -0.0002565500000000, -0.0001304400000000 ] - [ 0.0000000000000000, 0.0002926400000000, 0.0003381300000000 ] - [ -0.0002779200000000, 0.0001962700000000, 0.0000917600000000 ] - [ 0.0002779200000000, 0.0001962700000000, 0.0000917600000000 ] - [ 0.0000000000000000, 0.0002941100000000, -0.0006548800000000 ] - [ -0.0001462000000000, 0.0001957000000000, -0.0002294700000000 ] - [ 0.0001462000000000, 0.0001957000000000, -0.0002294700000000 ] - [ 0.0000000000000000, -0.0002567300000000, -0.0000659000000000 ] - [ 0.0000019100000000, -0.0001977200000000, -0.0000813400000000 ] - [ -0.0000019100000000, -0.0001977200000000, -0.0000813400000000 ] - [ 0.0000000000000000, -0.0003547300000000, -0.0000934100000000 ] - [ 0.0000093100000000, -0.0002415300000000, -0.0000852200000000 ] - [ -0.0000093100000000, -0.0002415300000000, -0.0000852200000000 ] - [ 0.0026213100000000, -0.0008392900000000, 0.0014506600000000 ] - [ -0.0026213100000000, -0.0008392900000000, 0.0014506600000000 ] - [ 0.0000000000000000, 0.0002226700000000, -0.0001203600000000 ] - [ 0.0000749600000000, 0.0001651200000000, -0.0002325000000000 ] - [ -0.0000749600000000, 0.0001651200000000, -0.0002325000000000 ] - [ 0.0000000000000000, 0.0001506300000000, -0.0000783200000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0011975700000000, -0.0041652700000000 ] - [ 0.0006058300000000, -0.0000753200000000, 0.0000304000000000 ] - [ -0.0006058300000000, -0.0000753200000000, 0.0000304000000000 ] - [ 0.0000000000000000, 0.0006493100000000, 0.0046030800000000 ] - [ -0.0006001900000000, 0.0001665000000000, 0.0004212200000000 ] - [ 0.0006001900000000, 0.0001665000000000, 0.0004212200000000 ] - [ 0.0000204500000000, -0.0002372800000000, 0.0011590900000000 ] - [ -0.0000204500000000, -0.0002372800000000, 0.0011590900000000 ] - [ 0.0000000000000000, 0.0000493600000000, 0.0006313800000000 ] - [ 0.0002273100000000, 0.0001854200000000, -0.0000943600000000 ] - [ -0.0002273100000000, 0.0001854200000000, -0.0000943600000000 ] - [ 0.0000000000000000, 0.0000303900000000, 0.0001684600000000 ] - [ -0.0000199700000000, 0.0001323800000000, 0.0001971200000000 ] - [ 0.0000199700000000, 0.0001323800000000, 0.0001971200000000 ] - [ 0.0000000000000000, 0.0000317000000000, 0.0002992400000000 ] - [ 0.0000362400000000, -0.0000556100000000, 0.0004561400000000 ] - [ -0.0000362400000000, -0.0000556100000000, 0.0004561400000000 ] - [ 0.0000000000000000, -0.0000331500000000, 0.0004346400000000 ] - [ 0.0000000000000000, 0.0012619300000000, 0.0023649100000000 ] - [ 0.0004278300000000, 0.0002349600000000, 0.0009456300000000 ] - [ -0.0004278300000000, 0.0002349600000000, 0.0009456300000000 ] - [ 0.0000000000000000, -0.0001480300000000, -0.0002545800000000 ] - [ -0.0000331200000000, -0.0000185200000000, 0.0000613100000000 ] - [ 0.0000331200000000, -0.0000185200000000, 0.0000613100000000 ] - [ 0.0000000000000000, -0.0001730100000000, -0.0000875600000000 ] - [ 0.0000083100000000, -0.0000472700000000, -0.0000377300000000 ] - [ -0.0000083100000000, -0.0000472700000000, -0.0000377300000000 ] - [ 0.0000000000000000, 0.0005296500000000, 0.0001547400000000 ] - [ -0.0000871200000000, 0.0001401500000000, 0.0000585600000000 ] - [ 0.0000871200000000, 0.0001401500000000, 0.0000585600000000 ] - [ 0.0020534600000000, -0.0001136800000000, 0.0052730500000000 ] - [ -0.0020534600000000, -0.0001136800000000, 0.0052730500000000 ] - [ 0.0000000000000000, -0.0001167100000000, 0.0002272200000000 ] - [ 0.0000944300000000, -0.0001668100000000, -0.0008141700000000 ] - [ -0.0000944300000000, -0.0001668100000000, -0.0008141700000000 ] - [ 0.0000000000000000, -0.0000314200000000, -0.0002257200000000 ] - [ -0.0002437700000000, 0.0004127100000000, -0.0006876900000000 ] - [ 0.0002437700000000, 0.0004127100000000, -0.0006876900000000 ] - [ 0.0000000000000000, 0.0000584900000000, 0.0000056900000000 ] - [ 0.0004598500000000, -0.0011049000000000, -0.0003808100000000 ] - [ -0.0004598500000000, -0.0011049000000000, -0.0003808100000000 ] - [ 0.0000000000000000, -0.0000022900000000, 0.0001460900000000 ] - [ 0.0000000000000000, 0.0000038400000000, 0.0002419800000000 ] - [ -0.0000010300000000, -0.0000172800000000, 0.0001915600000000 ] - [ 0.0000010300000000, -0.0000172800000000, 0.0001915600000000 ] - [ 0.0000000000000000, 0.0000611700000000, -0.0001368200000000 ] - [ -0.0000200100000000, -0.0000080100000000, -0.0000670500000000 ] - [ 0.0000200100000000, -0.0000080100000000, -0.0000670500000000 ] - [ 0.0000000000000000, 0.0003814800000000, -0.0001371000000000 ] - [ 0.0000235100000000, 0.0003126600000000, -0.0002303600000000 ] - [ -0.0000235100000000, 0.0003126600000000, -0.0002303600000000 ] - [ 0.0000000000000000, -0.0001157000000000, -0.0007339300000000 ] - [ 0.0000734500000000, 0.0001244700000000, -0.0004513600000000 ] - [ -0.0000734500000000, 0.0001244700000000, -0.0004513600000000 ] - [ 0.0020251800000000, 0.0007849100000000, 0.0004255700000000 ] - [ -0.0020251800000000, 0.0007849100000000, 0.0004255700000000 ] - [ 0.0000000000000000, -0.0002883700000000, -0.0004804300000000 ] - [ -0.0003205400000000, -0.0003595200000000, 0.0002813700000000 ] - [ 0.0003205400000000, -0.0003595200000000, 0.0002813700000000 ] - [ 0.0000000000000000, -0.0002314200000000, -0.0001367500000000 ] - [ 0.0000000000000000, 0.0003026900000000, 0.0001011000000000 ] - [ -0.0001900200000000, 0.0001457400000000, 0.0001360000000000 ] - [ 0.0001900200000000, 0.0001457400000000, 0.0001360000000000 ] - [ 0.0000000000000000, -0.0012041200000000, 0.0004582100000000 ] - [ 0.0000762600000000, -0.0001595200000000, 0.0001815400000000 ] - [ -0.0000762600000000, -0.0001595200000000, 0.0001815400000000 ] - [ -0.0007948400000000, -0.0002500600000000, -0.0000551400000000 ] - [ 0.0007948400000000, -0.0002500600000000, -0.0000551400000000 ] - [ 0.0000000000000000, 0.0000439700000000, -0.0000425000000000 ] - [ 0.0000862400000000, 0.0001207600000000, 0.0005669800000000 ] - [ -0.0000862400000000, 0.0001207600000000, 0.0005669800000000 ] - [ 0.0000000000000000, 0.0001245900000000, 0.0003122700000000 ] - [ 0.0000000000000000, 0.0030365800000000, -0.0176884900000000 ] - [ -0.0000757100000000, -0.0001145700000000, -0.0007878900000000 ] - [ 0.0000757100000000, -0.0001145700000000, -0.0007878900000000 ] - [ 0.0000000000000000, -0.0002014200000000, 0.0004766700000000 ] - [ 0.0000242500000000, -0.0001502900000000, 0.0001120900000000 ] - [ -0.0000242500000000, -0.0001502900000000, 0.0001120900000000 ] - [ 0.0000249300000000, 0.0002402200000000, -0.0001490100000000 ] - [ -0.0000249300000000, 0.0002402200000000, -0.0001490100000000 ] - [ 0.0000000000000000, 0.0002115500000000, -0.0001399100000000 ] - [ -0.0001154400000000, 0.0000367000000000, -0.0001496600000000 ] - [ 0.0001154400000000, 0.0000367000000000, -0.0001496600000000 ] - [ 0.0000000000000000, 0.0001263400000000, -0.0001402600000000 ] - [ 0.0002025500000000, -0.0001297400000000, 0.0004483000000000 ] - [ -0.0002025500000000, -0.0001297400000000, 0.0004483000000000 ] - [ 0.0000000000000000, -0.0000856800000000, 0.0000762900000000 ] - [ -0.0022399200000000, -0.0000836700000000, 0.0013679500000000 ] - [ 0.0022399200000000, -0.0000836700000000, 0.0013679500000000 ] - [ 0.0000000000000000, -0.0000268100000000, -0.0002288000000000 ] - [ 0.0000000000000000, 0.0001103800000000, -0.0001999600000000 ] - [ -0.0000090800000000, 0.0001071900000000, -0.0001368100000000 ] - [ 0.0000090800000000, 0.0001071900000000, -0.0001368100000000 ] - [ 0.0000000000000000, -0.0001302000000000, 0.0001024100000000 ] - [ 0.0000279900000000, 0.0000232400000000, 0.0000047300000000 ] - [ -0.0000279900000000, 0.0000232400000000, 0.0000047300000000 ] - [ 0.0000154600000000, 0.0001948300000000, -0.0001370200000000 ] - [ -0.0000154600000000, 0.0001948300000000, -0.0001370200000000 ] - [ 0.0000000000000000, 0.0002118000000000, -0.0002106400000000 ] - [ -0.0000697000000000, 0.0004561000000000, -0.0006643500000000 ] - [ 0.0000697000000000, 0.0004561000000000, -0.0006643500000000 ] - [ 0.0000000000000000, 0.0003070200000000, -0.0005269100000000 ] - [ 0.0000000000000000, -0.0003816800000000, -0.0003607200000000 ] - [ -0.0000530300000000, -0.0003381300000000, -0.0003819200000000 ] - [ 0.0000530300000000, -0.0003381300000000, -0.0003819200000000 ] - [ 0.0000000000000000, -0.0002571900000000, -0.0003266900000000 ] - [ 0.0000162200000000, -0.0002373300000000, -0.0003300600000000 ] - [ -0.0000162200000000, -0.0002373300000000, -0.0003300600000000 ] - [ 0.0001530300000000, -0.0005768300000000, 0.0002076200000000 ] - [ -0.0001530300000000, -0.0005768300000000, 0.0002076200000000 ] - [ 0.0000000000000000, -0.0000665500000000, 0.0001445900000000 ] - [ -0.0000727200000000, 0.0000435000000000, 0.0002174900000000 ] - [ 0.0000727200000000, 0.0000435000000000, 0.0002174900000000 ] - [ 0.0000000000000000, -0.0000123400000000, 0.0001860800000000 ] - [ 0.0000000000000000, -0.0000097700000000, -0.0000226300000000 ] - [ 0.0000323100000000, 0.0000332600000000, 0.0000444200000000 ] - [ -0.0000323100000000, 0.0000332600000000, 0.0000444200000000 ] - [ 0.0000000000000000, 0.0000429200000000, 0.0002590300000000 ] - [ -0.0000051800000000, 0.0000496400000000, 0.0002140600000000 ] - [ 0.0000051800000000, 0.0000496400000000, 0.0002140600000000 ] - [ -0.0000025800000000, -0.0001708300000000, -0.0002256600000000 ] - [ 0.0000025800000000, -0.0001708300000000, -0.0002256600000000 ] - [ 0.0000000000000000, -0.0001796900000000, -0.0002217700000000 ] - [ -0.0000292700000000, -0.0002181700000000, -0.0000513000000000 ] - [ 0.0000292700000000, -0.0002181700000000, -0.0000513000000000 ] - [ 0.0000000000000000, -0.0001874500000000, -0.0000909800000000 ] - [ 0.0000000000000000, -0.0003365700000000, 0.0002512300000000 ] - [ -0.0001845900000000, 0.0000886800000000, -0.0000192000000000 ] - [ 0.0001845900000000, 0.0000886800000000, -0.0000192000000000 ] - [ 0.0000000000000000, 0.0006568300000000, 0.0002516700000000 ] - [ 0.0003045000000000, 0.0004099400000000, -0.0000201100000000 ] - [ -0.0003045000000000, 0.0004099400000000, -0.0000201100000000 ] - [ 0.0000000000000000, -0.0000726900000000, 0.0000091200000000 ] - [ -0.0000060100000000, -0.0000690800000000, -0.0000037100000000 ] - [ 0.0000060100000000, -0.0000690800000000, -0.0000037100000000 ] - [ 0.0000000000000000, -0.0001654600000000, -0.0001167700000000 ] - [ 0.0000287600000000, -0.0001128100000000, -0.0001146400000000 ] - [ -0.0000287600000000, -0.0001128100000000, -0.0001146400000000 ] - [ 0.0019218300000000, -0.0011935000000000, 0.0000761000000000 ] - [ -0.0019218300000000, -0.0011935000000000, 0.0000761000000000 ] - [ 0.0000000000000000, 0.0001151000000000, -0.0001192000000000 ] - [ -0.0001109900000000, 0.0001813300000000, 0.0003315400000000 ] - [ 0.0001109900000000, 0.0001813300000000, 0.0003315400000000 ] - [ 0.0000000000000000, 0.0000750300000000, 0.0000486600000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0011580300000000, 0.0049337400000000 ] - [ -0.0006065300000000, 0.0000259600000000, 0.0007164800000000 ] - [ 0.0006065300000000, 0.0000259600000000, 0.0007164800000000 ] - [ 0.0000000000000000, -0.0008399500000000, -0.0035160200000000 ] - [ 0.0006038900000000, -0.0002149500000000, 0.0003307100000000 ] - [ -0.0006038900000000, -0.0002149500000000, 0.0003307100000000 ] - [ -0.0000201500000000, 0.0002832500000000, -0.0004151600000000 ] - [ 0.0000201500000000, 0.0002832500000000, -0.0004151600000000 ] - [ 0.0000000000000000, -0.0000015200000000, 0.0001157800000000 ] - [ -0.0002251600000000, -0.0001360900000000, 0.0008420700000000 ] - [ 0.0002251600000000, -0.0001360900000000, 0.0008420700000000 ] - [ 0.0000000000000000, 0.0000173000000000, 0.0005804200000000 ] - [ 0.0000193500000000, -0.0001797000000000, 0.0005499700000000 ] - [ -0.0000193500000000, -0.0001797000000000, 0.0005499700000000 ] - [ 0.0000000000000000, -0.0000793300000000, 0.0004484000000000 ] - [ -0.0000363500000000, 0.0000084700000000, 0.0002929700000000 ] - [ 0.0000363500000000, 0.0000084700000000, 0.0002929700000000 ] - [ 0.0000000000000000, -0.0000152100000000, 0.0003139700000000 ] - [ 0.0000000000000000, -0.0011949300000000, -0.0016229800000000 ] - [ -0.0004261300000000, -0.0001856000000000, -0.0001967100000000 ] - [ 0.0004261300000000, -0.0001856000000000, -0.0001967100000000 ] - [ 0.0000000000000000, 0.0001944000000000, 0.0010031900000000 ] - [ 0.0000326600000000, 0.0000662000000000, 0.0006869900000000 ] - [ -0.0000326600000000, 0.0000662000000000, 0.0006869900000000 ] - [ 0.0000000000000000, 0.0002640100000000, 0.0001767300000000 ] - [ -0.0000084100000000, 0.0001378700000000, 0.0001278300000000 ] - [ 0.0000084100000000, 0.0001378700000000, 0.0001278300000000 ] - [ 0.0000000000000000, -0.0004376600000000, -0.0000613600000000 ] - [ 0.0000867400000000, -0.0000504200000000, 0.0000332300000000 ] - [ -0.0000867400000000, -0.0000504200000000, 0.0000332300000000 ] - [ -0.0019916600000000, 0.0000271300000000, -0.0051683200000000 ] - [ 0.0019916600000000, 0.0000271300000000, -0.0051683200000000 ] - [ 0.0000000000000000, 0.0000271500000000, -0.0001372200000000 ] - [ -0.0000925300000000, 0.0000767000000000, 0.0009043700000000 ] - [ 0.0000925300000000, 0.0000767000000000, 0.0009043700000000 ] - [ 0.0000000000000000, -0.0000576100000000, 0.0003173300000000 ] - [ 0.0002468700000000, -0.0003242800000000, 0.0007726000000000 ] - [ -0.0002468700000000, -0.0003242800000000, 0.0007726000000000 ] - [ 0.0000000000000000, 0.0000310400000000, 0.0000840600000000 ] - [ -0.0004590900000000, 0.0011959700000000, 0.0004751500000000 ] - [ 0.0004590900000000, 0.0011959700000000, 0.0004751500000000 ] - [ 0.0000000000000000, 0.0000926000000000, -0.0000549200000000 ] - [ 0.0000000000000000, -0.0000917500000000, -0.0001504100000000 ] - [ 0.0000011300000000, -0.0000713700000000, -0.0001009000000000 ] - [ -0.0000011300000000, -0.0000713700000000, -0.0001009000000000 ] - [ 0.0000000000000000, -0.0001492700000000, 0.0002272000000000 ] - [ 0.0000198500000000, -0.0000805800000000, 0.0001578100000000 ] - [ -0.0000198500000000, -0.0000805800000000, 0.0001578100000000 ] - [ 0.0000000000000000, 0.0001299600000000, -0.0005684200000000 ] - [ -0.0000231000000000, 0.0002000500000000, -0.0004751900000000 ] - [ 0.0000231000000000, 0.0002000500000000, -0.0004751900000000 ] - [ 0.0000000000000000, 0.0006289100000000, 0.0000260000000000 ] - [ -0.0000745700000000, 0.0003899300000000, -0.0002544800000000 ] - [ 0.0000745700000000, 0.0003899300000000, -0.0002544800000000 ] - [ -0.0020370600000000, -0.0013048400000000, -0.0011324200000000 ] - [ 0.0020370600000000, -0.0013048400000000, -0.0011324200000000 ] - [ 0.0000000000000000, -0.0002244800000000, -0.0002245200000000 ] - [ 0.0003183100000000, -0.0001531700000000, -0.0009892600000000 ] - [ -0.0003183100000000, -0.0001531700000000, -0.0009892600000000 ] - [ 0.0000000000000000, -0.0002815800000000, -0.0005701400000000 ] - [ 0.0000000000000000, -0.0004101600000000, 0.0001813600000000 ] - [ 0.0001905800000000, -0.0002537300000000, 0.0001433800000000 ] - [ -0.0001905800000000, -0.0002537300000000, 0.0001433800000000 ] - [ 0.0000000000000000, 0.0010873600000000, -0.0001785100000000 ] - [ -0.0000757800000000, 0.0000519900000000, 0.0000967200000000 ] - [ 0.0000757800000000, 0.0000519900000000, 0.0000967200000000 ] - [ 0.0008082000000000, 0.0003659800000000, 0.0003222000000000 ] - [ -0.0008082000000000, 0.0003659800000000, 0.0003222000000000 ] - [ 0.0000000000000000, 0.0000634900000000, 0.0003213300000000 ] - [ -0.0000877100000000, -0.0000136900000000, -0.0002885400000000 ] - [ 0.0000877100000000, -0.0000136900000000, -0.0002885400000000 ] - [ 0.0000000000000000, -0.0000172200000000, -0.0000337000000000 ] - [ 0.0000000000000000, -0.0032622400000000, 0.0170088000000000 ] - [ 0.0000740500000000, -0.0002248000000000, 0.0004924000000000 ] - [ -0.0000740500000000, -0.0002248000000000, 0.0004924000000000 ] - [ 0.0000000000000000, -0.0001353400000000, -0.0007738700000000 ] - [ -0.0000237000000000, -0.0001886600000000, -0.0004088000000000 ] - [ 0.0000237000000000, -0.0001886600000000, -0.0004088000000000 ] - [ -0.0000251300000000, 0.0000983800000000, -0.0001472100000000 ] - [ 0.0000251300000000, 0.0000983800000000, -0.0001472100000000 ] - [ 0.0000000000000000, 0.0001271800000000, -0.0001566900000000 ] - [ 0.0001146300000000, 0.0003019200000000, -0.0001478400000000 ] - [ -0.0001146300000000, 0.0003019200000000, -0.0001478400000000 ] - [ 0.0000000000000000, 0.0002127700000000, -0.0001570400000000 ] - [ -0.0002045200000000, 0.0000004500000000, -0.0005625800000000 ] - [ 0.0002045200000000, 0.0000004500000000, -0.0005625800000000 ] - [ 0.0000000000000000, -0.0000442700000000, -0.0001912200000000 ] - [ 0.0022365000000000, -0.0000473200000000, -0.0014848500000000 ] - [ -0.0022365000000000, -0.0000473200000000, -0.0014848500000000 ] - [ 0.0000000000000000, -0.0001039400000000, 0.0001135600000000 ] - [ 0.0000000000000000, 0.0000197500000000, 0.0000849900000000 ] - [ 0.0000091800000000, 0.0000231100000000, 0.0000221500000000 ] - [ -0.0000091800000000, 0.0000231100000000, 0.0000221500000000 ] - [ 0.0000000000000000, 0.0002592100000000, -0.0002171800000000 ] - [ -0.0000277500000000, 0.0001070700000000, -0.0001199900000000 ] - [ 0.0000277500000000, 0.0001070700000000, -0.0001199900000000 ] - [ -0.0000157700000000, 0.0003185300000000, -0.0005679500000000 ] - [ 0.0000157700000000, 0.0003185300000000, -0.0005679500000000 ] - [ 0.0000000000000000, 0.0003013500000000, -0.0004948900000000 ] - [ 0.0000704400000000, 0.0000558500000000, -0.0000421800000000 ] - [ -0.0000704400000000, 0.0000558500000000, -0.0000421800000000 ] - [ 0.0000000000000000, 0.0002059800000000, -0.0001792100000000 ] - [ 0.0000000000000000, -0.0001342400000000, -0.0003446100000000 ] - [ 0.0000529200000000, -0.0001754200000000, -0.0003237200000000 ] - [ -0.0000529200000000, -0.0001754200000000, -0.0003237200000000 ] - [ 0.0000000000000000, -0.0002562800000000, -0.0003793500000000 ] - [ -0.0000161600000000, -0.0002759100000000, -0.0003758600000000 ] - [ 0.0000161600000000, -0.0002759100000000, -0.0003758600000000 ] - [ -0.0001537500000000, 0.0004683900000000, 0.0000732000000000 ] - [ 0.0001537500000000, 0.0004683900000000, 0.0000732000000000 ] - [ 0.0000000000000000, -0.0000411700000000, 0.0001345400000000 ] - [ 0.0000725800000000, -0.0001508900000000, 0.0000607900000000 ] - [ -0.0000725800000000, -0.0001508900000000, 0.0000607900000000 ] - [ 0.0000000000000000, -0.0000951400000000, 0.0000925900000000 ] - [ 0.0000000000000000, 0.0001163500000000, 0.0003011200000000 ] - [ -0.0000324800000000, 0.0000737600000000, 0.0002343800000000 ] - [ 0.0000324800000000, 0.0000737600000000, 0.0002343800000000 ] - [ 0.0000000000000000, 0.0000645800000000, 0.0000199700000000 ] - [ 0.0000051800000000, 0.0000577000000000, 0.0000649300000000 ] - [ -0.0000051800000000, 0.0000577000000000, 0.0000649300000000 ] - [ 0.0000027200000000, -0.0001687800000000, -0.0000709000000000 ] - [ -0.0000027200000000, -0.0001687800000000, -0.0000709000000000 ] - [ 0.0000000000000000, -0.0001597200000000, -0.0000745900000000 ] - [ 0.0000289700000000, -0.0001214700000000, -0.0002448700000000 ] - [ -0.0000289700000000, -0.0001214700000000, -0.0002448700000000 ] - [ 0.0000000000000000, -0.0001519600000000, -0.0002054000000000 ] - [ 0.0000000000000000, 0.0006822600000000, -0.0005499500000000 ] - [ 0.0001836400000000, 0.0002503900000000, -0.0002763500000000 ] - [ -0.0001836400000000, 0.0002503900000000, -0.0002763500000000 ] - [ 0.0000000000000000, -0.0003172400000000, -0.0005494900000000 ] - [ -0.0003045800000000, -0.0000708900000000, -0.0002772600000000 ] - [ 0.0003045800000000, -0.0000708900000000, -0.0002772600000000 ] - [ 0.0000000000000000, -0.0000583700000000, -0.0001236800000000 ] - [ 0.0000060200000000, -0.0000618100000000, -0.0001113200000000 ] - [ -0.0000060200000000, -0.0000618100000000, -0.0001113200000000 ] - [ 0.0000000000000000, 0.0000344800000000, 0.0000012000000000 ] - [ -0.0000286900000000, -0.0000178500000000, -0.0000007800000000 ] - [ 0.0000286900000000, -0.0000178500000000, -0.0000007800000000 ] - [ -0.0019195700000000, 0.0013226200000000, -0.0001759900000000 ] - [ 0.0019195700000000, 0.0013226200000000, -0.0001759900000000 ] - [ 0.0000000000000000, 0.0000152900000000, 0.0000044400000000 ] - [ 0.0001102800000000, -0.0000496800000000, -0.0004465200000000 ] - [ -0.0001102800000000, -0.0000496800000000, -0.0004465200000000 ] - [ 0.0000000000000000, 0.0000556700000000, -0.0001640500000000 ]- atom: 85 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0041306000000000, -0.0014224900000000, -0.0003257300000000 ] - [ -0.0012064900000000, -0.0000245800000000, 0.0003741900000000 ] - [ 0.0039177300000000, 0.0011967500000000, 0.0011336500000000 ] - [ 0.0002612800000000, 0.0001427200000000, 0.0009242200000000 ] - [ -0.0005440900000000, -0.0000243300000000, 0.0003741800000000 ] - [ 0.0002582800000000, -0.0001916400000000, -0.0001747700000000 ] - [ 0.0003849000000000, 0.0000229100000000, 0.0003738900000000 ] - [ -0.0001959100000000, 0.0002302700000000, 0.0002632200000000 ] - [ -0.0001959000000000, -0.0001802400000000, 0.0004835900000000 ] - [ 0.0004348800000000, 0.0000225900000000, 0.0003719900000000 ] - [ -0.0002505300000000, 0.0004040400000000, 0.0005046200000000 ] - [ -0.0002512200000000, -0.0003533900000000, 0.0002439000000000 ] - [ 0.0003962000000000, -0.0000212000000000, 0.0003757800000000 ] - [ -0.0001900600000000, -0.0003023800000000, 0.0004191800000000 ] - [ -0.0001910000000000, 0.0002535200000000, 0.0003295600000000 ] - [ 0.0001825000000000, -0.0000230100000000, 0.0003730800000000 ] - [ -0.0000859600000000, -0.0000889500000000, 0.0003745600000000 ] - [ -0.0000870000000000, 0.0000407500000000, 0.0003727300000000 ] - [ 0.0005159100000000, -0.0003140500000000, -0.0003166400000000 ] - [ -0.0005525800000000, 0.0000236700000000, 0.0003737600000000 ] - [ 0.0005105600000000, 0.0003633800000000, 0.0010639000000000 ] - [ -0.0000494100000000, -0.0009836500000000, 0.0012683200000000 ] - [ -0.0005753800000000, 0.0000236900000000, 0.0003740300000000 ] - [ -0.0000580100000000, 0.0010290500000000, -0.0005207300000000 ] - [ 0.0001022400000000, 0.0003555400000000, 0.0000007000000000 ] - [ -0.0001936200000000, 0.0000451900000000, 0.0000455500000000 ] - [ 0.0001015100000000, -0.0002637500000000, 0.0000918000000000 ] - [ 0.0000531300000000, 0.0001074000000000, 0.0000671700000000 ] - [ -0.0001073800000000, 0.0000450400000000, 0.0000455500000000 ] - [ 0.0000524400000000, -0.0000176200000000, 0.0000234400000000 ] - [ 0.0005946300000000, -0.0000461000000000, 0.0000463700000000 ] - [ -0.0002379700000000, -0.0000083000000000, -0.0003378400000000 ] - [ -0.0002393200000000, -0.0000812500000000, 0.0004266400000000 ] - [ 0.0045132000000000, -0.0000408500000000, 0.0000772200000000 ] - [ -0.0014768000000000, -0.0001330700000000, 0.0003265600000000 ] - [ -0.0014763200000000, 0.0000419000000000, -0.0002351300000000 ] - [ 0.0044048200000000, -0.0000252400000000, 0.0000184600000000 ] - [ -0.0017100000000000, -0.0001956000000000, 0.0001349200000000 ] - [ -0.0017119400000000, 0.0002845100000000, -0.0000424400000000 ] - [ 0.0002924800000000, 0.0000444000000000, 0.0000423100000000 ] - [ -0.0001289600000000, -0.0000464600000000, 0.0001478800000000 ] - [ -0.0001302700000000, 0.0001348300000000, -0.0000569700000000 ] - [ 0.0000530500000000, -0.0000666300000000, -0.0000076600000000 ] - [ -0.0001134200000000, -0.0000439100000000, 0.0000455300000000 ] - [ 0.0000527600000000, -0.0000207100000000, 0.0000988600000000 ] - [ 0.0000584900000000, -0.0000966800000000, 0.0000964700000000 ] - [ -0.0001099600000000, -0.0000439100000000, 0.0000456900000000 ] - [ 0.0000577200000000, 0.0000100500000000, -0.0000053000000000 ] - [ -0.0000702500000000, -0.0000095200000000, -0.0004298200000000 ] - [ 0.0001886900000000, 0.0002562300000000, -0.0003532400000000 ] - [ -0.0000676600000000, 0.0005226700000000, -0.0002779800000000 ] - [ -0.0000471200000000, 0.0002231200000000, -0.0003610600000000 ] - [ 0.0000948900000000, 0.0002565000000000, -0.0003530600000000 ] - [ -0.0000468300000000, 0.0002899900000000, -0.0003447800000000 ] - [ -0.0005971700000000, -0.0002499300000000, -0.0003572500000000 ] - [ 0.0005177900000000, -0.0002328800000000, 0.0001468200000000 ] - [ 0.0005156200000000, -0.0002792700000000, -0.0008494800000000 ] - [ -0.0006564800000000, -0.0002564700000000, -0.0003521600000000 ] - [ 0.0003895700000000, -0.0004346300000000, -0.0007312900000000 ] - [ 0.0003882800000000, -0.0000797600000000, 0.0000225800000000 ] - [ -0.0002302600000000, -0.0004155100000000, 0.0004761200000000 ] - [ 0.0001800100000000, -0.0000541600000000, 0.0001395500000000 ] - [ -0.0002264500000000, 0.0003058200000000, -0.0001941600000000 ] - [ -0.0000924900000000, -0.0001336300000000, 0.0000873200000000 ] - [ 0.0001924900000000, -0.0000539800000000, 0.0001395200000000 ] - [ -0.0000914900000000, 0.0000259200000000, 0.0001919100000000 ] - [ -0.0001428700000000, 0.0000538300000000, 0.0001393500000000 ] - [ 0.0000659700000000, 0.0000254100000000, 0.0002307700000000 ] - [ 0.0000664900000000, 0.0000816900000000, 0.0000490800000000 ] - [ -0.0010921100000000, 0.0000775400000000, 0.0001466000000000 ] - [ 0.0004335100000000, -0.0001063200000000, -0.0000137400000000 ] - [ 0.0004335800000000, 0.0002137700000000, 0.0002921800000000 ] - [ -0.0001478800000000, -0.0001432600000000, 0.0000553000000000 ] - [ 0.0003184300000000, -0.0001693400000000, -0.0001478700000000 ] - [ -0.0001450200000000, -0.0001947600000000, -0.0003517800000000 ] - [ 0.0020383300000000, -0.0013299300000000, -0.0023931700000000 ] - [ 0.0005437300000000, -0.0001693500000000, -0.0001484300000000 ] - [ 0.0020284800000000, 0.0009846600000000, 0.0020832200000000 ] - [ -0.0002084100000000, 0.0001689800000000, -0.0001486100000000 ] - [ 0.0001054700000000, 0.0001085200000000, -0.0001394300000000 ] - [ 0.0001059500000000, 0.0002299500000000, -0.0001577000000000 ] - [ -0.0000989400000000, 0.0001694200000000, -0.0001479200000000 ] - [ 0.0000512300000000, 0.0001495500000000, -0.0001762600000000 ] - [ 0.0000515600000000, 0.0001891200000000, -0.0001205300000000 ] - [ -0.0218038000000000, 0.0001556200000000, -0.0001332000000000 ] - [ 0.0008686100000000, -0.0000153600000000, -0.0001631000000000 ] - [ 0.0008684500000000, -0.0001133400000000, 0.0000473900000000 ] - [ -0.0001808200000000, -0.0000649700000000, -0.0000573000000000 ] - [ 0.0001142400000000, -0.0000651000000000, -0.0000535700000000 ] - [ 0.0001149900000000, -0.0000655300000000, -0.0000614300000000 ] - [ -0.0000502900000000, -0.0000259700000000, 0.0000041900000000 ] - [ 0.0000920800000000, 0.0000652000000000, -0.0000575200000000 ] - [ -0.0000499400000000, 0.0001558000000000, -0.0001190900000000 ] - [ -0.0000504500000000, 0.0000335700000000, -0.0000881100000000 ] - [ 0.0000920900000000, 0.0000651700000000, -0.0000575300000000 ] - [ -0.0000497700000000, 0.0000969000000000, -0.0000269800000000 ] - [ -0.0007841000000000, 0.0002459500000000, -0.0003497100000000 ] - [ 0.0002817200000000, 0.0004685800000000, -0.0005517200000000 ] - [ 0.0002826100000000, 0.0000453000000000, -0.0001554500000000 ] - [ -0.0001965200000000, 0.0002562500000000, -0.0003529200000000 ] - [ 0.0000852000000000, 0.0003039500000000, -0.0003014500000000 ] - [ 0.0000858200000000, 0.0002096100000000, -0.0004044200000000 ] - [ -0.0000765200000000, -0.0002113600000000, -0.0003591900000000 ] - [ 0.0001665100000000, -0.0002566700000000, -0.0003532600000000 ] - [ -0.0000759100000000, -0.0003024900000000, -0.0003474400000000 ] - [ -0.0000271900000000, -0.0002192300000000, -0.0004002700000000 ] - [ 0.0000769500000000, -0.0002568200000000, -0.0003531500000000 ] - [ -0.0000264900000000, -0.0002953700000000, -0.0003054600000000 ] - [ -0.0007040100000000, -0.0000542000000000, 0.0001388200000000 ] - [ 0.0004326400000000, 0.0001691500000000, 0.0003907000000000 ] - [ 0.0004321200000000, -0.0002757800000000, -0.0001108200000000 ] - [ -0.0001300500000000, -0.0000552500000000, 0.0001414800000000 ] - [ 0.0000766900000000, 0.0000455100000000, 0.0001058800000000 ] - [ 0.0000773200000000, -0.0001525800000000, 0.0001732100000000 ] - [ -0.0000454700000000, 0.0001495800000000, 0.0001841700000000 ] - [ 0.0000769800000000, 0.0000536300000000, 0.0001396200000000 ] - [ -0.0000449700000000, -0.0000426000000000, 0.0000950400000000 ] - [ -0.0000387200000000, 0.0002292400000000, 0.0000430600000000 ] - [ 0.0001499600000000, 0.0000536100000000, 0.0001395000000000 ] - [ -0.0000362700000000, -0.0001238000000000, 0.0002356600000000 ] - [ -0.0001201600000000, -0.0001698300000000, -0.0001479600000000 ] - [ 0.0000578300000000, -0.0001680400000000, -0.0001420800000000 ] - [ 0.0000580700000000, -0.0001716700000000, -0.0001541000000000 ] - [ -0.0001149700000000, -0.0001700000000000, -0.0001481000000000 ] - [ 0.0000606600000000, -0.0001607300000000, -0.0001769100000000 ] - [ 0.0000612900000000, -0.0001791200000000, -0.0001194700000000 ] - [ 0.0025183100000000, 0.0028014300000000, 0.0017780700000000 ] - [ 0.0005438500000000, 0.0001698600000000, -0.0001483900000000 ] - [ 0.0025129300000000, -0.0024468400000000, -0.0020633900000000 ] - [ -0.0000858300000000, 0.0002450900000000, -0.0002585900000000 ] - [ 0.0002108100000000, 0.0001697300000000, -0.0001483700000000 ] - [ -0.0000837900000000, 0.0000945200000000, -0.0000373300000000 ] - [ -0.0000453100000000, -0.0000621500000000, -0.0000314200000000 ] - [ 0.0000952700000000, -0.0000657700000000, -0.0000576500000000 ] - [ -0.0000448000000000, -0.0000699500000000, -0.0000843800000000 ] - [ -0.0000303100000000, -0.0000575800000000, -0.0000457600000000 ] - [ 0.0000588700000000, -0.0000657200000000, -0.0000575300000000 ] - [ -0.0000299700000000, -0.0000739600000000, -0.0000691600000000 ] - [ -0.0004934700000000, 0.0000650300000000, -0.0000639800000000 ] - [ 0.0003379400000000, 0.0001446700000000, 0.0002794400000000 ] - [ 0.0003380800000000, -0.0000125900000000, -0.0003936100000000 ] - [ -0.0004934700000000, 0.0000629100000000, -0.0000505500000000 ] - [ 0.0003378200000000, 0.0002592900000000, -0.0002335800000000 ] - [ 0.0003382100000000, -0.0001269500000000, 0.0001183600000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002504500000000, 0.0043876400000000, 0.0009101300000000 ] - [ 0.0000000000000000, 0.0002231400000000, 0.0003583900000000 ] - [ 0.0002504500000000, 0.0043876400000000, 0.0009101300000000 ] - [ 0.0001205100000000, 0.0003013700000000, 0.0002054100000000 ] - [ 0.0000000000000000, 0.0001331100000000, 0.0003309800000000 ] - [ -0.0001205100000000, 0.0003013700000000, 0.0002054100000000 ] - [ 0.0000000000000000, -0.0004000400000000, 0.0006797900000000 ] - [ 0.0001508800000000, -0.0001347300000000, 0.0005422200000000 ] - [ -0.0001508800000000, -0.0001347300000000, 0.0005422200000000 ] - [ 0.0000000000000000, -0.0008627100000000, -0.0004972100000000 ] - [ 0.0002996200000000, -0.0002271200000000, 0.0001859000000000 ] - [ -0.0002996200000000, -0.0002271200000000, 0.0001859000000000 ] - [ 0.0000000000000000, -0.0016671800000000, -0.0000401000000000 ] - [ -0.0002004400000000, -0.0004032200000000, 0.0003490900000000 ] - [ 0.0002004400000000, -0.0004032200000000, 0.0003490900000000 ] - [ 0.0000000000000000, -0.0004339900000000, 0.0004221800000000 ] - [ -0.0000485500000000, -0.0002264800000000, 0.0003709100000000 ] - [ 0.0000485500000000, -0.0002264800000000, 0.0003709100000000 ] - [ -0.0002057600000000, -0.0000970000000000, -0.0002601700000000 ] - [ 0.0000000000000000, 0.0000718000000000, 0.0002440400000000 ] - [ 0.0002057600000000, -0.0000970000000000, -0.0002601700000000 ] - [ -0.0012634400000000, -0.0000218200000000, 0.0016039400000000 ] - [ 0.0000000000000000, 0.0001275800000000, 0.0004543400000000 ] - [ 0.0012634400000000, -0.0000218200000000, 0.0016039400000000 ] - [ 0.0001043500000000, -0.0006639100000000, 0.0002728300000000 ] - [ 0.0000000000000000, -0.0001188900000000, 0.0000355700000000 ] - [ -0.0001043500000000, -0.0006639100000000, 0.0002728300000000 ] - [ 0.0000957000000000, -0.0001767000000000, -0.0000385200000000 ] - [ 0.0000000000000000, -0.0000892500000000, 0.0000266700000000 ] - [ -0.0000957000000000, -0.0001767000000000, -0.0000385200000000 ] - [ 0.0000000000000000, 0.0010586300000000, 0.0004690300000000 ] - [ 0.0000096300000000, 0.0003997900000000, 0.0001701700000000 ] - [ -0.0000096300000000, 0.0003997900000000, 0.0001701700000000 ] - [ 0.0000000000000000, 0.0048195200000000, 0.0029890700000000 ] - [ 0.0001296800000000, 0.0003495500000000, -0.0000545900000000 ] - [ -0.0001296800000000, 0.0003495500000000, -0.0000545900000000 ] - [ 0.0000000000000000, 0.0270159100000000, 0.0113788600000000 ] - [ -0.0011647300000000, 0.0003864200000000, 0.0003015600000000 ] - [ 0.0011647300000000, 0.0003864200000000, 0.0003015600000000 ] - [ 0.0000000000000000, 0.0002519400000000, 0.0003516900000000 ] - [ -0.0000989600000000, 0.0002220600000000, 0.0000323000000000 ] - [ 0.0000989600000000, 0.0002220600000000, 0.0000323000000000 ] - [ -0.0000269900000000, -0.0003929300000000, -0.0000120600000000 ] - [ 0.0000000000000000, -0.0002588100000000, 0.0000087000000000 ] - [ 0.0000269900000000, -0.0003929300000000, -0.0000120600000000 ] - [ -0.0000096500000000, -0.0006135700000000, 0.0001782200000000 ] - [ 0.0000000000000000, -0.0002180100000000, 0.0000599600000000 ] - [ 0.0000096500000000, -0.0006135700000000, 0.0001782200000000 ] - [ -0.0004403700000000, 0.0007865700000000, -0.0004207800000000 ] - [ 0.0000000000000000, 0.0003305700000000, -0.0003667100000000 ] - [ 0.0004403700000000, 0.0007865700000000, -0.0004207800000000 ] - [ -0.0000479800000000, 0.0002939200000000, -0.0003717200000000 ] - [ 0.0000000000000000, 0.0002742700000000, -0.0003806600000000 ] - [ 0.0000479800000000, 0.0002939200000000, -0.0003717200000000 ] - [ 0.0000000000000000, 0.0002811800000000, -0.0012181900000000 ] - [ -0.0003500900000000, -0.0004750300000000, -0.0007722200000000 ] - [ 0.0003500900000000, -0.0004750300000000, -0.0007722200000000 ] - [ 0.0000000000000000, -0.0006042300000000, 0.0003105500000000 ] - [ -0.0000770200000000, -0.0003492600000000, -0.0002325000000000 ] - [ 0.0000770200000000, -0.0003492600000000, -0.0002325000000000 ] - [ -0.0000778500000000, 0.0002010800000000, -0.0000829000000000 ] - [ 0.0000000000000000, 0.0000080300000000, 0.0001368200000000 ] - [ 0.0000778500000000, 0.0002010800000000, -0.0000829000000000 ] - [ -0.0001157100000000, -0.0000184600000000, 0.0002671700000000 ] - [ 0.0000000000000000, -0.0000367900000000, 0.0001860700000000 ] - [ 0.0001157100000000, -0.0000184600000000, 0.0002671700000000 ] - [ 0.0000000000000000, -0.0000484300000000, -0.0000364700000000 ] - [ -0.0000092000000000, -0.0000120100000000, 0.0000936400000000 ] - [ 0.0000092000000000, -0.0000120100000000, 0.0000936400000000 ] - [ 0.0000000000000000, 0.0070789600000000, 0.0026095900000000 ] - [ -0.0002300000000000, -0.0000983300000000, 0.0004123600000000 ] - [ 0.0002300000000000, -0.0000983300000000, 0.0004123600000000 ] - [ 0.0000121000000000, -0.0005044200000000, -0.0002131700000000 ] - [ 0.0000000000000000, -0.0003531100000000, -0.0001687700000000 ] - [ -0.0000121000000000, -0.0005044200000000, -0.0002131700000000 ] - [ -0.0001212200000000, -0.0007744300000000, -0.0001587100000000 ] - [ 0.0000000000000000, -0.0003334300000000, -0.0001098600000000 ] - [ 0.0001212200000000, -0.0007744300000000, -0.0001587100000000 ] - [ 0.0000000000000000, 0.0005649200000000, -0.0001936100000000 ] - [ -0.0001102000000000, 0.0003908700000000, -0.0001903300000000 ] - [ 0.0001102000000000, 0.0003908700000000, -0.0001903300000000 ] - [ 0.0000000000000000, 0.0003105500000000, 0.0000459200000000 ] - [ -0.0000372000000000, 0.0002587700000000, -0.0001066200000000 ] - [ 0.0000372000000000, 0.0002587700000000, -0.0001066200000000 ] - [ 0.0000000000000000, -0.0517368400000000, -0.0200974800000000 ] - [ -0.0000503700000000, -0.0005544600000000, -0.0001795700000000 ] - [ 0.0000503700000000, -0.0005544600000000, -0.0001795700000000 ] - [ 0.0000000000000000, -0.0003084500000000, -0.0000623600000000 ] - [ -0.0000002900000000, -0.0002175100000000, -0.0000739800000000 ] - [ 0.0000002900000000, -0.0002175100000000, -0.0000739800000000 ] - [ -0.0000316200000000, 0.0002957100000000, -0.0001267200000000 ] - [ 0.0000000000000000, 0.0001822900000000, -0.0001015200000000 ] - [ 0.0000316200000000, 0.0002957100000000, -0.0001267200000000 ] - [ -0.0000906400000000, 0.0002958600000000, -0.0000132900000000 ] - [ 0.0000000000000000, 0.0001824600000000, -0.0000669300000000 ] - [ 0.0000906400000000, 0.0002958600000000, -0.0000132900000000 ] - [ 0.0000000000000000, 0.0041170900000000, -0.0012298300000000 ] - [ 0.0002199600000000, 0.0002675000000000, -0.0004581100000000 ] - [ -0.0002199600000000, 0.0002675000000000, -0.0004581100000000 ] - [ 0.0000000000000000, 0.0002734100000000, -0.0002982100000000 ] - [ 0.0000571600000000, 0.0002539300000000, -0.0002548400000000 ] - [ -0.0000571600000000, 0.0002539300000000, -0.0002548400000000 ] - [ 0.0000846900000000, -0.0000336300000000, -0.0002970600000000 ] - [ 0.0000000000000000, -0.0001190700000000, -0.0003120300000000 ] - [ -0.0000846900000000, -0.0000336300000000, -0.0002970600000000 ] - [ 0.0000368700000000, -0.0000762400000000, -0.0004430200000000 ] - [ 0.0000000000000000, -0.0001853000000000, -0.0003592500000000 ] - [ -0.0000368700000000, -0.0000762400000000, -0.0004430200000000 ] - [ 0.0000000000000000, 0.0002770500000000, 0.0008713800000000 ] - [ 0.0002895000000000, 0.0000603400000000, 0.0002877900000000 ] - [ -0.0002895000000000, 0.0000603400000000, 0.0002877900000000 ] - [ 0.0000000000000000, 0.0000210200000000, -0.0002146100000000 ] - [ 0.0000719300000000, -0.0000488100000000, 0.0000976900000000 ] - [ -0.0000719300000000, -0.0000488100000000, 0.0000976900000000 ] - [ 0.0000231000000000, 0.0002205100000000, 0.0001890200000000 ] - [ 0.0000000000000000, 0.0001338100000000, 0.0001552100000000 ] - [ -0.0000231000000000, 0.0002205100000000, 0.0001890200000000 ] - [ 0.0004298200000000, 0.0005967900000000, -0.0000138400000000 ] - [ 0.0000000000000000, 0.0001527900000000, 0.0001088700000000 ] - [ -0.0004298200000000, 0.0005967900000000, -0.0000138400000000 ] - [ 0.0000000000000000, 0.0000217800000000, -0.0001554000000000 ] - [ 0.0000039600000000, -0.0000372800000000, -0.0001518000000000 ] - [ -0.0000039600000000, -0.0000372800000000, -0.0001518000000000 ] - [ 0.0000000000000000, 0.0001203200000000, -0.0002484800000000 ] - [ 0.0000433400000000, 0.0000067200000000, -0.0001959400000000 ] - [ -0.0000433400000000, 0.0000067200000000, -0.0001959400000000 ] - [ 0.0026342400000000, 0.0010690700000000, 0.0011121200000000 ] - [ 0.0000000000000000, 0.0000115200000000, -0.0001986800000000 ] - [ -0.0026342400000000, 0.0010690700000000, 0.0011121200000000 ] - [ 0.0001129800000000, 0.0000689100000000, -0.0002638200000000 ] - [ 0.0000000000000000, 0.0000839800000000, -0.0001579800000000 ] - [ -0.0001129800000000, 0.0000689100000000, -0.0002638200000000 ] - [ -0.0000036300000000, 0.0003370800000000, -0.0000186600000000 ] - [ 0.0000000000000000, 0.0000961700000000, -0.0000201700000000 ] - [ 0.0000036300000000, 0.0003370800000000, -0.0000186600000000 ] - [ -0.0000081000000000, 0.0000886400000000, -0.0000284000000000 ] - [ 0.0000000000000000, 0.0000330400000000, -0.0000372500000000 ] - [ 0.0000081000000000, 0.0000886400000000, -0.0000284000000000 ] - [ 0.0000000000000000, -0.0003910800000000, 0.0008009500000000 ] - [ 0.0001933700000000, -0.0001156000000000, 0.0001178800000000 ] - [ -0.0001933700000000, -0.0001156000000000, 0.0001178800000000 ] - [ 0.0000000000000000, -0.0003900200000000, -0.0009028000000000 ] - [ 0.0000778200000000, -0.0001167300000000, -0.0000470000000000 ] - [ -0.0000778200000000, -0.0001167300000000, -0.0000470000000000 ]- atom: 85 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003625600000000, -0.0045007800000000, -0.0001249700000000 ] - [ 0.0000000000000000, -0.0002730500000000, 0.0003908100000000 ] - [ -0.0003625600000000, -0.0045007800000000, -0.0001249700000000 ] - [ -0.0001197800000000, -0.0003511600000000, 0.0005393700000000 ] - [ 0.0000000000000000, -0.0001816400000000, 0.0004157100000000 ] - [ 0.0001197800000000, -0.0003511600000000, 0.0005393700000000 ] - [ 0.0000000000000000, 0.0004452900000000, 0.0000678700000000 ] - [ -0.0001512700000000, 0.0001823700000000, 0.0002045200000000 ] - [ 0.0001512700000000, 0.0001823700000000, 0.0002045200000000 ] - [ 0.0000000000000000, 0.0008960700000000, 0.0012393100000000 ] - [ -0.0003003700000000, 0.0002736700000000, 0.0005629000000000 ] - [ 0.0003003700000000, 0.0002736700000000, 0.0005629000000000 ] - [ 0.0000000000000000, 0.0016134700000000, 0.0007823000000000 ] - [ 0.0001987800000000, 0.0003553500000000, 0.0003980600000000 ] - [ -0.0001987800000000, 0.0003553500000000, 0.0003980600000000 ] - [ 0.0000000000000000, 0.0003861300000000, 0.0003265600000000 ] - [ 0.0000481400000000, 0.0001786900000000, 0.0003770400000000 ] - [ -0.0000481400000000, 0.0001786900000000, 0.0003770400000000 ] - [ 0.0002079400000000, 0.0001461800000000, 0.0010080400000000 ] - [ 0.0000000000000000, -0.0000231500000000, 0.0005036200000000 ] - [ -0.0002079400000000, 0.0001461800000000, 0.0010080400000000 ] - [ 0.0012517200000000, 0.0000726400000000, -0.0008443100000000 ] - [ 0.0000000000000000, -0.0000775200000000, 0.0002943700000000 ] - [ -0.0012517200000000, 0.0000726400000000, -0.0008443100000000 ] - [ -0.0001048100000000, 0.0007535700000000, -0.0001824100000000 ] - [ 0.0000000000000000, 0.0002076900000000, 0.0000556400000000 ] - [ 0.0001048100000000, 0.0007535700000000, -0.0001824100000000 ] - [ -0.0000962500000000, 0.0002653500000000, 0.0001296500000000 ] - [ 0.0000000000000000, 0.0001782700000000, 0.0000642200000000 ] - [ 0.0000962500000000, 0.0002653500000000, 0.0001296500000000 ] - [ 0.0000000000000000, -0.0011480200000000, -0.0003730600000000 ] - [ -0.0000093100000000, -0.0004880500000000, -0.0000800800000000 ] - [ 0.0000093100000000, -0.0004880500000000, -0.0000800800000000 ] - [ 0.0000000000000000, -0.0048521200000000, -0.0029313500000000 ] - [ -0.0001201600000000, -0.0004397800000000, 0.0001463200000000 ] - [ 0.0001201600000000, -0.0004397800000000, 0.0001463200000000 ] - [ 0.0000000000000000, -0.0258519400000000, -0.0106013700000000 ] - [ 0.0011643600000000, -0.0002945400000000, -0.0002086500000000 ] - [ -0.0011643600000000, -0.0002945400000000, -0.0002086500000000 ] - [ 0.0000000000000000, -0.0001592700000000, -0.0002615000000000 ] - [ 0.0000990700000000, -0.0001312700000000, 0.0000575400000000 ] - [ -0.0000990700000000, -0.0001312700000000, 0.0000575400000000 ] - [ 0.0000267900000000, 0.0003042900000000, 0.0001027300000000 ] - [ 0.0000000000000000, 0.0001703000000000, 0.0000821400000000 ] - [ -0.0000267900000000, 0.0003042900000000, 0.0001027300000000 ] - [ 0.0000090100000000, 0.0005235600000000, -0.0000856000000000 ] - [ 0.0000000000000000, 0.0001295100000000, 0.0000318100000000 ] - [ -0.0000090100000000, 0.0005235600000000, -0.0000856000000000 ] - [ 0.0004404300000000, -0.0002716000000000, -0.0002850300000000 ] - [ 0.0000000000000000, 0.0001833000000000, -0.0003395800000000 ] - [ -0.0004404300000000, -0.0002716000000000, -0.0002850300000000 ] - [ 0.0000480600000000, 0.0002199100000000, -0.0003342700000000 ] - [ 0.0000000000000000, 0.0002393200000000, -0.0003253000000000 ] - [ -0.0000480600000000, 0.0002199100000000, -0.0003342700000000 ] - [ 0.0000000000000000, -0.0007933900000000, 0.0005065400000000 ] - [ 0.0003504300000000, -0.0000370200000000, 0.0000667200000000 ] - [ -0.0003504300000000, -0.0000370200000000, 0.0000667200000000 ] - [ 0.0000000000000000, 0.0000924000000000, -0.0010132100000000 ] - [ 0.0000753700000000, -0.0001625200000000, -0.0004726100000000 ] - [ -0.0000753700000000, -0.0001625200000000, -0.0004726100000000 ] - [ 0.0000780000000000, -0.0003069300000000, 0.0003616100000000 ] - [ 0.0000000000000000, -0.0001150000000000, 0.0001420900000000 ] - [ -0.0000780000000000, -0.0003069300000000, 0.0003616100000000 ] - [ 0.0001157800000000, -0.0000876400000000, 0.0000117900000000 ] - [ 0.0000000000000000, -0.0000698000000000, 0.0000928600000000 ] - [ -0.0001157800000000, -0.0000876400000000, 0.0000117900000000 ] - [ 0.0000000000000000, 0.0001564300000000, 0.0003148800000000 ] - [ 0.0000089800000000, 0.0001196200000000, 0.0001857500000000 ] - [ -0.0000089800000000, 0.0001196200000000, 0.0001857500000000 ] - [ 0.0000000000000000, -0.0070240000000000, -0.0023502100000000 ] - [ 0.0002288300000000, 0.0002071000000000, -0.0001357300000000 ] - [ -0.0002288300000000, 0.0002071000000000, -0.0001357300000000 ] - [ -0.0000128100000000, 0.0001651500000000, -0.0000828700000000 ] - [ 0.0000000000000000, 0.0000136700000000, -0.0001272600000000 ] - [ 0.0000128100000000, 0.0001651500000000, -0.0000828700000000 ] - [ 0.0000955300000000, 0.0004366800000000, -0.0001222200000000 ] - [ 0.0000000000000000, -0.0000055900000000, -0.0001868900000000 ] - [ -0.0000955300000000, 0.0004366800000000, -0.0001222200000000 ] - [ 0.0000000000000000, -0.0002249700000000, -0.0001028500000000 ] - [ 0.0001109700000000, -0.0000521100000000, -0.0001060900000000 ] - [ -0.0001109700000000, -0.0000521100000000, -0.0001060900000000 ] - [ 0.0000000000000000, 0.0000291000000000, -0.0003433200000000 ] - [ 0.0000373000000000, 0.0000807200000000, -0.0001902700000000 ] - [ -0.0000373000000000, 0.0000807200000000, -0.0001902700000000 ] - [ 0.0000000000000000, 0.0506275600000000, 0.0192438300000000 ] - [ 0.0000475900000000, 0.0004227500000000, 0.0000620400000000 ] - [ -0.0000475900000000, 0.0004227500000000, 0.0000620400000000 ] - [ 0.0000000000000000, 0.0001772800000000, -0.0000524400000000 ] - [ 0.0000001500000000, 0.0000865000000000, -0.0000404900000000 ] - [ -0.0000001500000000, 0.0000865000000000, -0.0000404900000000 ] - [ 0.0000317300000000, -0.0001646000000000, 0.0000117800000000 ] - [ 0.0000000000000000, -0.0000513400000000, -0.0000134600000000 ] - [ -0.0000317300000000, -0.0001646000000000, 0.0000117800000000 ] - [ 0.0000911100000000, -0.0001644500000000, -0.0001022100000000 ] - [ 0.0000000000000000, -0.0000511700000000, -0.0000485700000000 ] - [ -0.0000911100000000, -0.0001644500000000, -0.0001022100000000 ] - [ 0.0000000000000000, -0.0035518700000000, 0.0005105300000000 ] - [ -0.0002194100000000, 0.0002450300000000, -0.0002483200000000 ] - [ 0.0002194100000000, 0.0002450300000000, -0.0002483200000000 ] - [ 0.0000000000000000, 0.0002389100000000, -0.0004083600000000 ] - [ -0.0000572100000000, 0.0002590000000000, -0.0004509700000000 ] - [ 0.0000572100000000, 0.0002590000000000, -0.0004509700000000 ] - [ -0.0000844400000000, -0.0004799700000000, -0.0004082800000000 ] - [ 0.0000000000000000, -0.0003944000000000, -0.0003937600000000 ] - [ 0.0000844400000000, -0.0004799700000000, -0.0004082800000000 ] - [ -0.0000366700000000, -0.0004368700000000, -0.0002640200000000 ] - [ 0.0000000000000000, -0.0003284200000000, -0.0003470500000000 ] - [ 0.0000366700000000, -0.0004368700000000, -0.0002640200000000 ] - [ 0.0000000000000000, -0.0003893000000000, -0.0005919000000000 ] - [ -0.0002892000000000, -0.0001679800000000, -0.0000084800000000 ] - [ 0.0002892000000000, -0.0001679800000000, -0.0000084800000000 ] - [ 0.0000000000000000, -0.0001297700000000, 0.0004904500000000 ] - [ -0.0000717400000000, -0.0000597800000000, 0.0001812300000000 ] - [ 0.0000717400000000, -0.0000597800000000, 0.0001812300000000 ] - [ -0.0000229500000000, -0.0001135500000000, 0.0000900000000000 ] - [ 0.0000000000000000, -0.0000267200000000, 0.0001238200000000 ] - [ 0.0000229500000000, -0.0001135500000000, 0.0000900000000000 ] - [ -0.0004264100000000, -0.0004873900000000, 0.0002918600000000 ] - [ 0.0000000000000000, -0.0000459100000000, 0.0001697900000000 ] - [ 0.0004264100000000, -0.0004873900000000, 0.0002918600000000 ] - [ 0.0000000000000000, -0.0003610300000000, -0.0001409600000000 ] - [ -0.0000038200000000, -0.0003020300000000, -0.0001444100000000 ] - [ 0.0000038200000000, -0.0003020300000000, -0.0001444100000000 ] - [ 0.0000000000000000, -0.0004591300000000, -0.0000484500000000 ] - [ -0.0000426600000000, -0.0003456600000000, -0.0001008700000000 ] - [ 0.0000426600000000, -0.0003456600000000, -0.0001008700000000 ] - [ -0.0026248500000000, -0.0007361100000000, -0.0014038300000000 ] - [ 0.0000000000000000, 0.0003267900000000, -0.0000987000000000 ] - [ 0.0026248500000000, -0.0007361100000000, -0.0014038300000000 ] - [ -0.0001133300000000, 0.0002688600000000, -0.0000326500000000 ] - [ 0.0000000000000000, 0.0002547000000000, -0.0001384600000000 ] - [ 0.0001133300000000, 0.0002688600000000, -0.0000326500000000 ] - [ 0.0000041900000000, -0.0004674400000000, -0.0000961500000000 ] - [ 0.0000000000000000, -0.0002270200000000, -0.0000952100000000 ] - [ -0.0000041900000000, -0.0004674400000000, -0.0000961500000000 ] - [ 0.0000082800000000, -0.0002194600000000, -0.0000868800000000 ] - [ 0.0000000000000000, -0.0001638800000000, -0.0000778700000000 ] - [ -0.0000082800000000, -0.0002194600000000, -0.0000868800000000 ] - [ 0.0000000000000000, 0.0005162700000000, -0.0009187400000000 ] - [ -0.0001928800000000, 0.0002463100000000, -0.0002321600000000 ] - [ 0.0001928800000000, 0.0002463100000000, -0.0002321600000000 ] - [ 0.0000000000000000, 0.0005173400000000, 0.0007864300000000 ] - [ -0.0000794600000000, 0.0002451800000000, -0.0000669700000000 ] - [ 0.0000794600000000, 0.0002451800000000, -0.0000669700000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001280600000000, -0.0004887500000000, 0.0045134100000000 ] - [ 0.0000000000000000, 0.0000687200000000, 0.0005572400000000 ] - [ -0.0001280600000000, -0.0004887500000000, 0.0045134100000000 ] - [ 0.0002251700000000, -0.0000800300000000, -0.0007359400000000 ] - [ 0.0000000000000000, 0.0000125700000000, 0.0001085600000000 ] - [ -0.0002251700000000, -0.0000800300000000, -0.0007359400000000 ] - [ 0.0000000000000000, 0.0008074000000000, 0.0000453300000000 ] - [ -0.0000976600000000, 0.0001001500000000, 0.0002491300000000 ] - [ 0.0000976600000000, 0.0001001500000000, 0.0002491300000000 ] - [ 0.0000000000000000, -0.0007881400000000, 0.0000747100000000 ] - [ 0.0002065500000000, -0.0001555300000000, 0.0004363800000000 ] - [ -0.0002065500000000, -0.0001555300000000, 0.0004363800000000 ] - [ 0.0000000000000000, 0.0000697300000000, 0.0009063700000000 ] - [ 0.0000371600000000, -0.0002199600000000, 0.0005853700000000 ] - [ -0.0000371600000000, -0.0002199600000000, 0.0005853700000000 ] - [ 0.0000000000000000, 0.0000124400000000, 0.0000399800000000 ] - [ 0.0000205400000000, -0.0000357900000000, 0.0002131600000000 ] - [ -0.0000205400000000, -0.0000357900000000, 0.0002131600000000 ] - [ -0.0004085600000000, -0.0004248400000000, -0.0002230100000000 ] - [ 0.0000000000000000, -0.0000368000000000, 0.0001278400000000 ] - [ 0.0004085600000000, -0.0004248400000000, -0.0002230100000000 ] - [ 0.0011047600000000, 0.0010694600000000, 0.0004705600000000 ] - [ 0.0000000000000000, 0.0001575100000000, 0.0006413100000000 ] - [ -0.0011047600000000, 0.0010694600000000, 0.0004705600000000 ] - [ 0.0000344500000000, 0.0000994900000000, 0.0004060700000000 ] - [ 0.0000000000000000, 0.0000273900000000, 0.0001278100000000 ] - [ -0.0000344500000000, 0.0000994900000000, 0.0004060700000000 ] - [ 0.0000439200000000, -0.0000420000000000, -0.0001694000000000 ] - [ 0.0000000000000000, -0.0000068500000000, -0.0000575300000000 ] - [ -0.0000439200000000, -0.0000420000000000, -0.0001694000000000 ] - [ 0.0000000000000000, 0.0005436300000000, -0.0020071900000000 ] - [ -0.0003144700000000, 0.0000971900000000, -0.0001759800000000 ] - [ 0.0003144700000000, 0.0000971900000000, -0.0001759800000000 ] - [ 0.0000000000000000, 0.0023759300000000, 0.0129041700000000 ] - [ 0.0013728500000000, -0.0000649300000000, 0.0003971600000000 ] - [ -0.0013728500000000, -0.0000649300000000, 0.0003971600000000 ] - [ 0.0000000000000000, 0.0101855300000000, 0.0094785900000000 ] - [ -0.0009990400000000, 0.0001556000000000, 0.0003983400000000 ] - [ 0.0009990400000000, 0.0001556000000000, 0.0003983400000000 ] - [ 0.0000000000000000, 0.0003423700000000, -0.0015435000000000 ] - [ 0.0001438300000000, 0.0001003500000000, -0.0002695700000000 ] - [ -0.0001438300000000, 0.0001003500000000, -0.0002695700000000 ] - [ -0.0000223100000000, -0.0001197700000000, -0.0000582000000000 ] - [ 0.0000000000000000, -0.0000979700000000, -0.0000373000000000 ] - [ 0.0000223100000000, -0.0001197700000000, -0.0000582000000000 ] - [ 0.0000420900000000, -0.0000520300000000, 0.0001050000000000 ] - [ 0.0000000000000000, -0.0000882500000000, 0.0001213300000000 ] - [ -0.0000420900000000, -0.0000520300000000, 0.0001050000000000 ] - [ -0.0002784800000000, 0.0004693700000000, -0.0005909200000000 ] - [ 0.0000000000000000, 0.0002705300000000, -0.0004105400000000 ] - [ 0.0002784800000000, 0.0004693700000000, -0.0005909200000000 ] - [ 0.0000361100000000, 0.0002435400000000, -0.0002146200000000 ] - [ 0.0000000000000000, 0.0002576600000000, -0.0002784000000000 ] - [ -0.0000361100000000, 0.0002435400000000, -0.0002146200000000 ] - [ 0.0000000000000000, -0.0029019500000000, 0.0013009200000000 ] - [ 0.0001950000000000, -0.0002628900000000, -0.0003096900000000 ] - [ -0.0001950000000000, -0.0002628900000000, -0.0003096900000000 ] - [ 0.0000000000000000, 0.0003048400000000, 0.0004838100000000 ] - [ -0.0003121600000000, -0.0001375800000000, -0.0001298600000000 ] - [ 0.0003121600000000, -0.0001375800000000, -0.0001298600000000 ] - [ 0.0002319400000000, -0.0002589400000000, -0.0000142200000000 ] - [ 0.0000000000000000, -0.0000860000000000, 0.0000938400000000 ] - [ -0.0002319400000000, -0.0002589400000000, -0.0000142200000000 ] - [ -0.0001138300000000, 0.0000460000000000, 0.0002766400000000 ] - [ 0.0000000000000000, 0.0000056200000000, 0.0001991000000000 ] - [ 0.0001138300000000, 0.0000460000000000, 0.0002766400000000 ] - [ 0.0000000000000000, -0.0000136500000000, 0.0007721700000000 ] - [ 0.0000358500000000, 0.0000380300000000, 0.0002879100000000 ] - [ -0.0000358500000000, 0.0000380300000000, 0.0002879100000000 ] - [ 0.0000000000000000, 0.0042385200000000, -0.0000806200000000 ] - [ -0.0000242900000000, 0.0000766300000000, -0.0003868600000000 ] - [ 0.0000242900000000, 0.0000766300000000, -0.0003868600000000 ] - [ 0.0004553600000000, -0.0003018100000000, 0.0003565900000000 ] - [ 0.0000000000000000, -0.0002093000000000, -0.0000148200000000 ] - [ -0.0004553600000000, -0.0003018100000000, 0.0003565900000000 ] - [ -0.0029973100000000, 0.0009664200000000, 0.0012751600000000 ] - [ 0.0000000000000000, -0.0001781000000000, -0.0003189500000000 ] - [ 0.0029973100000000, 0.0009664200000000, 0.0012751600000000 ] - [ 0.0000000000000000, 0.0001363800000000, -0.0002911700000000 ] - [ -0.0000022000000000, 0.0001620400000000, -0.0002280200000000 ] - [ 0.0000022000000000, 0.0001620400000000, -0.0002280200000000 ] - [ 0.0000000000000000, 0.0002197600000000, 0.0000116000000000 ] - [ -0.0000209500000000, 0.0002057000000000, -0.0000860700000000 ] - [ 0.0000209500000000, 0.0002057000000000, -0.0000860700000000 ] - [ 0.0000000000000000, -0.0196938800000000, -0.0365112400000000 ] - [ 0.0001048700000000, -0.0001863900000000, -0.0005643300000000 ] - [ -0.0001048700000000, -0.0001863900000000, -0.0005643300000000 ] - [ 0.0000000000000000, -0.0000715300000000, 0.0004510700000000 ] - [ -0.0000036400000000, -0.0000826000000000, 0.0002362000000000 ] - [ 0.0000036400000000, -0.0000826000000000, 0.0002362000000000 ] - [ 0.0000306400000000, 0.0000212800000000, -0.0000523300000000 ] - [ 0.0000000000000000, 0.0000748400000000, -0.0000596800000000 ] - [ -0.0000306400000000, 0.0000212800000000, -0.0000523300000000 ] - [ -0.0000617500000000, 0.0001349000000000, -0.0000518700000000 ] - [ 0.0000000000000000, 0.0001095900000000, -0.0000595000000000 ] - [ 0.0000617500000000, 0.0001349000000000, -0.0000518700000000 ] - [ 0.0000000000000000, -0.0011928300000000, -0.0011341300000000 ] - [ 0.0000846300000000, 0.0003390600000000, -0.0006452300000000 ] - [ -0.0000846300000000, 0.0003390600000000, -0.0006452300000000 ] - [ 0.0000000000000000, 0.0004353800000000, 0.0001433400000000 ] - [ 0.0000222000000000, 0.0002432000000000, -0.0001395100000000 ] - [ -0.0000222000000000, 0.0002432000000000, -0.0001395100000000 ] - [ 0.0000222500000000, -0.0001271600000000, -0.0003983800000000 ] - [ 0.0000000000000000, -0.0001502500000000, -0.0003625800000000 ] - [ -0.0000222500000000, -0.0001271600000000, -0.0003983800000000 ] - [ -0.0000585200000000, -0.0003470700000000, -0.0003099300000000 ] - [ 0.0000000000000000, -0.0002819600000000, -0.0003492700000000 ] - [ 0.0000585200000000, -0.0003470700000000, -0.0003099300000000 ] - [ 0.0000000000000000, 0.0005466300000000, -0.0000543400000000 ] - [ 0.0002905900000000, 0.0001166100000000, 0.0001938300000000 ] - [ -0.0002905900000000, 0.0001166100000000, 0.0001938300000000 ] - [ 0.0000000000000000, -0.0005603300000000, 0.0005706100000000 ] - [ -0.0000792900000000, -0.0001634000000000, 0.0001998400000000 ] - [ 0.0000792900000000, -0.0001634000000000, 0.0001998400000000 ] - [ 0.0000037600000000, 0.0001582800000000, 0.0002605300000000 ] - [ 0.0000000000000000, 0.0000964200000000, 0.0002048300000000 ] - [ -0.0000037600000000, 0.0001582800000000, 0.0002605300000000 ] - [ -0.0001403600000000, -0.0000777300000000, 0.0000005400000000 ] - [ 0.0000000000000000, 0.0000759800000000, 0.0000733800000000 ] - [ 0.0001403600000000, -0.0000777300000000, 0.0000005400000000 ] - [ 0.0000000000000000, -0.0001617400000000, -0.0000820900000000 ] - [ 0.0000180300000000, -0.0001459600000000, -0.0000945600000000 ] - [ -0.0000180300000000, -0.0001459600000000, -0.0000945600000000 ] - [ 0.0000000000000000, -0.0001337400000000, -0.0002069700000000 ] - [ -0.0000383200000000, -0.0001421800000000, -0.0002049900000000 ] - [ 0.0000383200000000, -0.0001421800000000, -0.0002049900000000 ] - [ 0.0022775000000000, 0.0016786900000000, -0.0000292600000000 ] - [ 0.0000000000000000, 0.0001065600000000, -0.0002102000000000 ] - [ -0.0022775000000000, 0.0016786900000000, -0.0000292600000000 ] - [ -0.0002345100000000, -0.0000044700000000, 0.0002396600000000 ] - [ 0.0000000000000000, 0.0001489800000000, -0.0000421900000000 ] - [ 0.0002345100000000, -0.0000044700000000, 0.0002396600000000 ] - [ -0.0000265800000000, -0.0000272000000000, -0.0001700700000000 ] - [ 0.0000000000000000, -0.0000283700000000, -0.0001070600000000 ] - [ 0.0000265800000000, -0.0000272000000000, -0.0001700700000000 ] - [ -0.0000116600000000, -0.0000365200000000, 0.0000370300000000 ] - [ 0.0000000000000000, -0.0000454900000000, -0.0000010800000000 ] - [ 0.0000116600000000, -0.0000365200000000, 0.0000370300000000 ] - [ 0.0000000000000000, 0.0009177600000000, 0.0023580100000000 ] - [ 0.0001753600000000, 0.0000555300000000, 0.0000802400000000 ] - [ -0.0001753600000000, 0.0000555300000000, 0.0000802400000000 ] - [ 0.0000000000000000, -0.0007881100000000, 0.0023302500000000 ] - [ -0.0003358400000000, -0.0001087300000000, 0.0000811300000000 ] - [ 0.0003358400000000, -0.0001087300000000, 0.0000811300000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001243000000000, 0.0004370000000000, -0.0037670900000000 ] - [ 0.0000000000000000, -0.0001172300000000, 0.0001901100000000 ] - [ 0.0001243000000000, 0.0004370000000000, -0.0037670900000000 ] - [ -0.0002251300000000, 0.0000343200000000, 0.0014862500000000 ] - [ 0.0000000000000000, -0.0000603500000000, 0.0006400100000000 ] - [ 0.0002251300000000, 0.0000343200000000, 0.0014862500000000 ] - [ 0.0000000000000000, -0.0007567500000000, 0.0007031800000000 ] - [ 0.0000975000000000, -0.0000523700000000, 0.0004991600000000 ] - [ -0.0000975000000000, -0.0000523700000000, 0.0004991600000000 ] - [ 0.0000000000000000, 0.0008324800000000, 0.0006701600000000 ] - [ -0.0002062100000000, 0.0002045500000000, 0.0003109100000000 ] - [ 0.0002062100000000, 0.0002045500000000, 0.0003109100000000 ] - [ 0.0000000000000000, -0.0001130900000000, -0.0001563400000000 ] - [ -0.0000362200000000, 0.0001725500000000, 0.0001627600000000 ] - [ 0.0000362200000000, 0.0001725500000000, 0.0001627600000000 ] - [ 0.0000000000000000, -0.0000616900000000, 0.0007079000000000 ] - [ -0.0000206900000000, -0.0000126900000000, 0.0005349600000000 ] - [ 0.0000206900000000, -0.0000126900000000, 0.0005349600000000 ] - [ 0.0004047400000000, 0.0004732200000000, 0.0009787300000000 ] - [ 0.0000000000000000, 0.0000848200000000, 0.0006212200000000 ] - [ -0.0004047400000000, 0.0004732200000000, 0.0009787300000000 ] - [ -0.0011071300000000, -0.0010299900000000, 0.0002707800000000 ] - [ 0.0000000000000000, -0.0001103800000000, 0.0001050300000000 ] - [ 0.0011071300000000, -0.0010299900000000, 0.0002707800000000 ] - [ -0.0000341800000000, -0.0000101000000000, -0.0003139300000000 ] - [ 0.0000000000000000, 0.0000621600000000, -0.0000365800000000 ] - [ 0.0000341800000000, -0.0000101000000000, -0.0003139300000000 ] - [ -0.0000439200000000, 0.0001317400000000, 0.0002605600000000 ] - [ 0.0000000000000000, 0.0000965700000000, 0.0001490800000000 ] - [ 0.0000439200000000, 0.0001317400000000, 0.0002605600000000 ] - [ 0.0000000000000000, -0.0006237100000000, 0.0020910700000000 ] - [ 0.0003138200000000, -0.0001855400000000, 0.0002692200000000 ] - [ -0.0003138200000000, -0.0001855400000000, 0.0002692200000000 ] - [ 0.0000000000000000, -0.0027677900000000, -0.0136902500000000 ] - [ -0.0013770800000000, -0.0000238300000000, -0.0003080600000000 ] - [ 0.0013770800000000, -0.0000238300000000, -0.0003080600000000 ] - [ 0.0000000000000000, -0.0098470400000000, -0.0094026500000000 ] - [ 0.0010051500000000, -0.0000663100000000, -0.0003089500000000 ] - [ -0.0010051500000000, -0.0000663100000000, -0.0003089500000000 ] - [ 0.0000000000000000, -0.0002567400000000, 0.0016424400000000 ] - [ -0.0001453400000000, -0.0000114900000000, 0.0003616200000000 ] - [ 0.0001453400000000, -0.0000114900000000, 0.0003616200000000 ] - [ 0.0000221700000000, 0.0000317600000000, 0.0001503100000000 ] - [ 0.0000000000000000, 0.0000098000000000, 0.0001292400000000 ] - [ -0.0000221700000000, 0.0000317600000000, 0.0001503100000000 ] - [ -0.0000419700000000, -0.0000357500000000, -0.0000145200000000 ] - [ 0.0000000000000000, -0.0000002800000000, -0.0000301600000000 ] - [ 0.0000419700000000, -0.0000357500000000, -0.0000145200000000 ] - [ 0.0002773200000000, 0.0000455000000000, -0.0001161100000000 ] - [ 0.0000000000000000, 0.0002426500000000, -0.0002961800000000 ] - [ -0.0002773200000000, 0.0000455000000000, -0.0001161100000000 ] - [ -0.0000359300000000, 0.0002695800000000, -0.0004923800000000 ] - [ 0.0000000000000000, 0.0002556200000000, -0.0004286500000000 ] - [ 0.0000359300000000, 0.0002695800000000, -0.0004923800000000 ] - [ 0.0000000000000000, 0.0023629100000000, -0.0019982300000000 ] - [ -0.0001966600000000, -0.0002508800000000, -0.0003990100000000 ] - [ 0.0001966600000000, -0.0002508800000000, -0.0003990100000000 ] - [ 0.0000000000000000, -0.0008209200000000, -0.0011848100000000 ] - [ 0.0003134500000000, -0.0003771900000000, -0.0005776800000000 ] - [ -0.0003134500000000, -0.0003771900000000, -0.0005776800000000 ] - [ -0.0002304200000000, 0.0001530300000000, 0.0002909100000000 ] - [ 0.0000000000000000, -0.0000210200000000, 0.0001851500000000 ] - [ 0.0002304200000000, 0.0001530300000000, 0.0002909100000000 ] - [ 0.0001135600000000, -0.0001538500000000, 0.0000025000000000 ] - [ 0.0000000000000000, -0.0001132900000000, 0.0000798200000000 ] - [ -0.0001135600000000, -0.0001538500000000, 0.0000025000000000 ] - [ 0.0000000000000000, 0.0001198600000000, -0.0004921300000000 ] - [ -0.0000355700000000, 0.0000687500000000, -0.0000095800000000 ] - [ 0.0000355700000000, 0.0000687500000000, -0.0000095800000000 ] - [ 0.0000000000000000, -0.0041218000000000, 0.0003824400000000 ] - [ 0.0000253100000000, 0.0000294200000000, 0.0006677200000000 ] - [ -0.0000253100000000, 0.0000294200000000, 0.0006677200000000 ] - [ -0.0004534200000000, -0.0000380900000000, -0.0006542400000000 ] - [ 0.0000000000000000, -0.0001300400000000, -0.0002823000000000 ] - [ 0.0004534200000000, -0.0000380900000000, -0.0006542400000000 ] - [ 0.0030218400000000, -0.0013099500000000, -0.0015775700000000 ] - [ 0.0000000000000000, -0.0001612800000000, 0.0000234500000000 ] - [ -0.0030218400000000, -0.0013099500000000, -0.0015775700000000 ] - [ 0.0000000000000000, 0.0002025800000000, -0.0000061800000000 ] - [ 0.0000021300000000, 0.0001769200000000, -0.0000690000000000 ] - [ -0.0000021300000000, 0.0001769200000000, -0.0000690000000000 ] - [ 0.0000000000000000, 0.0001193900000000, -0.0003079400000000 ] - [ 0.0000209600000000, 0.0001333400000000, -0.0002107400000000 ] - [ -0.0000209600000000, 0.0001333400000000, -0.0002107400000000 ] - [ 0.0000000000000000, 0.0196429500000000, 0.0373151400000000 ] - [ -0.0001056200000000, 0.0000552800000000, 0.0004511600000000 ] - [ 0.0001056200000000, 0.0000552800000000, 0.0004511600000000 ] - [ 0.0000000000000000, -0.0000615900000000, -0.0005672400000000 ] - [ 0.0000042300000000, -0.0000490800000000, -0.0003522700000000 ] - [ -0.0000042300000000, -0.0000490800000000, -0.0003522700000000 ] - [ -0.0000304700000000, 0.0001101700000000, -0.0000634700000000 ] - [ 0.0000000000000000, 0.0000564300000000, -0.0000557800000000 ] - [ 0.0000304700000000, 0.0001101700000000, -0.0000634700000000 ] - [ 0.0000615300000000, -0.0000036400000000, -0.0000630100000000 ] - [ 0.0000000000000000, 0.0000215100000000, -0.0000556100000000 ] - [ -0.0000615300000000, -0.0000036400000000, -0.0000630100000000 ] - [ 0.0000000000000000, 0.0016929500000000, 0.0004349900000000 ] - [ -0.0000851300000000, 0.0001742300000000, -0.0000606400000000 ] - [ 0.0000851300000000, 0.0001742300000000, -0.0000606400000000 ] - [ 0.0000000000000000, 0.0000807600000000, -0.0008501200000000 ] - [ -0.0000216800000000, 0.0002703700000000, -0.0005682900000000 ] - [ 0.0000216800000000, 0.0002703700000000, -0.0005682900000000 ] - [ -0.0000224000000000, -0.0003868200000000, -0.0003089700000000 ] - [ 0.0000000000000000, -0.0003636800000000, -0.0003445100000000 ] - [ 0.0000224000000000, -0.0003868200000000, -0.0003089700000000 ] - [ 0.0000588000000000, -0.0001662300000000, -0.0003961400000000 ] - [ 0.0000000000000000, -0.0002314700000000, -0.0003573600000000 ] - [ -0.0000588000000000, -0.0001662300000000, -0.0003961400000000 ] - [ 0.0000000000000000, -0.0006540700000000, 0.0003287600000000 ] - [ -0.0002910400000000, -0.0002239200000000, 0.0000838700000000 ] - [ 0.0002910400000000, -0.0002239200000000, 0.0000838700000000 ] - [ 0.0000000000000000, 0.0004574200000000, -0.0002913400000000 ] - [ 0.0000797100000000, 0.0000570000000000, 0.0000794100000000 ] - [ -0.0000797100000000, 0.0000570000000000, 0.0000794100000000 ] - [ -0.0000034600000000, -0.0000513000000000, 0.0000179700000000 ] - [ 0.0000000000000000, 0.0000105700000000, 0.0000737600000000 ] - [ 0.0000034600000000, -0.0000513000000000, 0.0000179700000000 ] - [ 0.0001384700000000, 0.0001834700000000, 0.0002797700000000 ] - [ 0.0000000000000000, 0.0000309700000000, 0.0002058200000000 ] - [ -0.0001384700000000, 0.0001834700000000, 0.0002797700000000 ] - [ 0.0000000000000000, -0.0001779200000000, -0.0002148400000000 ] - [ -0.0000180200000000, -0.0001935800000000, -0.0002021100000000 ] - [ 0.0000180200000000, -0.0001935800000000, -0.0002021100000000 ] - [ 0.0000000000000000, -0.0002060000000000, -0.0000889700000000 ] - [ 0.0000379900000000, -0.0001976000000000, -0.0000910900000000 ] - [ -0.0000379900000000, -0.0001976000000000, -0.0000910900000000 ] - [ -0.0022852900000000, -0.0013436100000000, -0.0002813200000000 ] - [ 0.0000000000000000, 0.0002327200000000, -0.0000864900000000 ] - [ 0.0022852900000000, -0.0013436100000000, -0.0002813200000000 ] - [ 0.0002373300000000, 0.0003454400000000, -0.0005383500000000 ] - [ 0.0000000000000000, 0.0001904900000000, -0.0002548300000000 ] - [ -0.0002373300000000, 0.0003454400000000, -0.0005383500000000 ] - [ 0.0000263600000000, -0.0001046500000000, 0.0000545300000000 ] - [ 0.0000000000000000, -0.0001033700000000, -0.0000082600000000 ] - [ -0.0000263600000000, -0.0001046500000000, 0.0000545300000000 ] - [ 0.0000117500000000, -0.0000949600000000, -0.0001524300000000 ] - [ 0.0000000000000000, -0.0000860600000000, -0.0001144000000000 ] - [ -0.0000117500000000, -0.0000949600000000, -0.0001524300000000 ] - [ 0.0000000000000000, -0.0007716700000000, -0.0024462900000000 ] - [ -0.0001765800000000, 0.0000754700000000, -0.0001976000000000 ] - [ 0.0001765800000000, 0.0000754700000000, -0.0001976000000000 ] - [ 0.0000000000000000, 0.0009316900000000, -0.0024740200000000 ] - [ 0.0003372100000000, 0.0002412700000000, -0.0001967200000000 ] - [ -0.0003372100000000, 0.0002412700000000, -0.0001967200000000 ]