# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/91ccb3a5-a99d-445f-ad1d-dcde88641b1f/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 ZnS / R3m (160) / materials id 555410](https://mdr.nims.go.jp/datasets/c46329b4-9bf7-448f-80c5-2c6df8dc55dc) ## 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: "R3m" number: 160 Hall_symbol: "R 3 -2\""primitive_matrix:- [ 0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [ 0.333333333333333, 0.333333333333333, -0.666666666666667 ]- [ 0.333333333333333, 0.333333333333333, 0.333333333333333 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 1.892168670000002, 1.092444089999999, 12.388046863333321 ] # a - [ -1.892168669999998, 1.092444089999999, 12.388046863333321 ] # b - [ 0.000000000000002, -2.184888180000001, 12.388046863333321 ] # c points: - symbol: Zn # 1 coordinates: [ 0.416642520000000, 0.416642530000000, 0.416642520000000 ] mass: 65.380000 - symbol: Zn # 2 coordinates: [ 0.000120910000000, 0.000120910000000, 0.000120910000000 ] mass: 65.380000 - symbol: Zn # 3 coordinates: [ 0.583451540000000, 0.583451550000001, 0.583451540000000 ] mass: 65.380000 - symbol: Zn # 4 coordinates: [ 0.833303690000000, 0.833303680000000, 0.833303690000000 ] mass: 65.380000 - symbol: S # 5 coordinates: [ 0.645929090000000, 0.645929100000001, 0.645929090000000 ] mass: 32.065000 - symbol: S # 6 coordinates: [ 0.895801740000000, 0.895801730000001, 0.895801740000000 ] mass: 32.065000 - symbol: S # 7 coordinates: [ 0.479027610000000, 0.479027620000001, 0.479027610000000 ] mass: 32.065000 - symbol: S # 8 coordinates: [ 0.062488870000000, 0.062488870000000, 0.062488870000000 ] mass: 32.065000 reciprocal_lattice: # without 2pi - [ 0.264247055734202, 0.152563108897103, 0.026907658407392 ] # a* - [ -0.264247055734202, 0.152563108897103, 0.026907658407392 ] # b* - [ 0.000000000000000, -0.305126217794206, 0.026907658407392 ] # c*unit_cell: lattice: - [ 3.784337340000000, 0.000000000000000, 0.000000000000000 ] # a - [ -1.892168670000000, 3.277332270000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 37.164140590000002 ] # c points: - symbol: Zn # 1 coordinates: [ 0.333333330000000, 0.666666670000000, 0.083309190000000 ] mass: 65.380000 reduced_to: 1 - symbol: Zn # 2 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000120910000000 ] mass: 65.380000 reduced_to: 2 - symbol: Zn # 3 coordinates: [ 0.333333330000000, 0.666666670000000, 0.250118210000000 ] mass: 65.380000 reduced_to: 3 - symbol: Zn # 4 coordinates: [ 0.666666670000000, 0.333333330000000, 0.166637020000000 ] mass: 65.380000 reduced_to: 4 - symbol: Zn # 5 coordinates: [ 0.000000000000000, 0.000000000000000, 0.416642530000000 ] mass: 65.380000 reduced_to: 1 - symbol: Zn # 6 coordinates: [ 0.666666670000000, 0.333333330000000, 0.333454250000000 ] mass: 65.380000 reduced_to: 2 - symbol: Zn # 7 coordinates: [ 0.000000000000000, 0.000000000000000, 0.583451540000000 ] mass: 65.380000 reduced_to: 3 - symbol: Zn # 8 coordinates: [ 0.333333330000000, 0.666666670000000, 0.499970350000000 ] mass: 65.380000 reduced_to: 4 - symbol: Zn # 9 coordinates: [ 0.666666670000000, 0.333333330000000, 0.749975860000000 ] mass: 65.380000 reduced_to: 1 - symbol: Zn # 10 coordinates: [ 0.333333330000000, 0.666666670000000, 0.666787580000000 ] mass: 65.380000 reduced_to: 2 - symbol: Zn # 11 coordinates: [ 0.666666670000000, 0.333333330000000, 0.916784870000000 ] mass: 65.380000 reduced_to: 3 - symbol: Zn # 12 coordinates: [ 0.000000000000000, 0.000000000000000, 0.833303690000000 ] mass: 65.380000 reduced_to: 4 - symbol: S # 13 coordinates: [ 0.333333330000000, 0.666666670000000, 0.312595760000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 14 coordinates: [ 0.666666670000000, 0.333333330000000, 0.229135070000000 ] mass: 32.065000 reduced_to: 14 - symbol: S # 15 coordinates: [ 0.333333330000000, 0.666666670000000, 0.145694280000000 ] mass: 32.065000 reduced_to: 15 - symbol: S # 16 coordinates: [ 0.000000000000000, 0.000000000000000, 0.062488870000000 ] mass: 32.065000 reduced_to: 16 - symbol: S # 17 coordinates: [ 0.000000000000000, 0.000000000000000, 0.645929100000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 18 coordinates: [ 0.333333330000000, 0.666666670000000, 0.562468410000000 ] mass: 32.065000 reduced_to: 14 - symbol: S # 19 coordinates: [ 0.000000000000000, 0.000000000000000, 0.479027610000000 ] mass: 32.065000 reduced_to: 15 - symbol: S # 20 coordinates: [ 0.666666670000000, 0.333333330000000, 0.395822210000000 ] mass: 32.065000 reduced_to: 16 - symbol: S # 21 coordinates: [ 0.666666670000000, 0.333333330000000, 0.979262430000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 22 coordinates: [ 0.000000000000000, 0.000000000000000, 0.895801740000000 ] mass: 32.065000 reduced_to: 14 - symbol: S # 23 coordinates: [ 0.666666670000000, 0.333333330000000, 0.812360940000000 ] mass: 32.065000 reduced_to: 15 - symbol: S # 24 coordinates: [ 0.333333330000000, 0.666666670000000, 0.729155540000000 ] mass: 32.065000 reduced_to: 16supercell: lattice: - [ 7.568674680000000, 0.000000000000000, 0.000000000000000 ] # a - [ -3.784337340000000, 6.554664540000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 37.164140590000002 ] # c points: - symbol: Zn # 1 coordinates: [ 0.166666665000000, 0.333333335000000, 0.083309190000000 ] mass: 65.380000 reduced_to: 1 - symbol: Zn # 2 coordinates: [ 0.666666665000000, 0.333333335000000, 0.083309190000000 ] mass: 65.380000 reduced_to: 1 - symbol: Zn # 3 coordinates: [ 0.166666665000000, 0.833333335000000, 0.083309190000000 ] mass: 65.380000 reduced_to: 1 - symbol: Zn # 4 coordinates: [ 0.666666665000000, 0.833333335000000, 0.083309190000000 ] mass: 65.380000 reduced_to: 1 - symbol: Zn # 5 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000120910000000 ] mass: 65.380000 reduced_to: 5 - symbol: Zn # 6 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000120910000000 ] mass: 65.380000 reduced_to: 5 - symbol: Zn # 7 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000120910000000 ] mass: 65.380000 reduced_to: 5 - symbol: Zn # 8 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000120910000000 ] mass: 65.380000 reduced_to: 5 - symbol: Zn # 9 coordinates: [ 0.166666665000000, 0.333333335000000, 0.250118210000000 ] mass: 65.380000 reduced_to: 9 - symbol: Zn # 10 coordinates: [ 0.666666665000000, 0.333333335000000, 0.250118210000000 ] mass: 65.380000 reduced_to: 9 - symbol: Zn # 11 coordinates: [ 0.166666665000000, 0.833333335000000, 0.250118210000000 ] mass: 65.380000 reduced_to: 9 - symbol: Zn # 12 coordinates: [ 0.666666665000000, 0.833333335000000, 0.250118210000000 ] mass: 65.380000 reduced_to: 9 - symbol: Zn # 13 coordinates: [ 0.333333335000000, 0.166666665000000, 0.166637020000000 ] mass: 65.380000 reduced_to: 13 - symbol: Zn # 14 coordinates: [ 0.833333335000000, 0.166666665000000, 0.166637020000000 ] mass: 65.380000 reduced_to: 13 - symbol: Zn # 15 coordinates: [ 0.333333335000000, 0.666666665000000, 0.166637020000000 ] mass: 65.380000 reduced_to: 13 - symbol: Zn # 16 coordinates: [ 0.833333335000000, 0.666666665000000, 0.166637020000000 ] mass: 65.380000 reduced_to: 13 - symbol: Zn # 17 coordinates: [ 0.000000000000000, 0.000000000000000, 0.416642530000000 ] mass: 65.380000 reduced_to: 1 - symbol: Zn # 18 coordinates: [ 0.500000000000000, 0.000000000000000, 0.416642530000000 ] mass: 65.380000 reduced_to: 1 - symbol: Zn # 19 coordinates: [ 0.000000000000000, 0.500000000000000, 0.416642530000000 ] mass: 65.380000 reduced_to: 1 - symbol: Zn # 20 coordinates: [ 0.500000000000000, 0.500000000000000, 0.416642530000000 ] mass: 65.380000 reduced_to: 1 - symbol: Zn # 21 coordinates: [ 0.333333335000000, 0.166666665000000, 0.333454250000000 ] mass: 65.380000 reduced_to: 5 - symbol: Zn # 22 coordinates: [ 0.833333335000000, 0.166666665000000, 0.333454250000000 ] mass: 65.380000 reduced_to: 5 - symbol: Zn # 23 coordinates: [ 0.333333335000000, 0.666666665000000, 0.333454250000000 ] mass: 65.380000 reduced_to: 5 - symbol: Zn # 24 coordinates: [ 0.833333335000000, 0.666666665000000, 0.333454250000000 ] mass: 65.380000 reduced_to: 5 - symbol: Zn # 25 coordinates: [ 0.000000000000000, 0.000000000000000, 0.583451540000000 ] mass: 65.380000 reduced_to: 9 - symbol: Zn # 26 coordinates: [ 0.500000000000000, 0.000000000000000, 0.583451540000000 ] mass: 65.380000 reduced_to: 9 - symbol: Zn # 27 coordinates: [ 0.000000000000000, 0.500000000000000, 0.583451540000000 ] mass: 65.380000 reduced_to: 9 - symbol: Zn # 28 coordinates: [ 0.500000000000000, 0.500000000000000, 0.583451540000000 ] mass: 65.380000 reduced_to: 9 - symbol: Zn # 29 coordinates: [ 0.166666665000000, 0.333333335000000, 0.499970350000000 ] mass: 65.380000 reduced_to: 13 - symbol: Zn # 30 coordinates: [ 0.666666665000000, 0.333333335000000, 0.499970350000000 ] mass: 65.380000 reduced_to: 13 - symbol: Zn # 31 coordinates: [ 0.166666665000000, 0.833333335000000, 0.499970350000000 ] mass: 65.380000 reduced_to: 13 - symbol: Zn # 32 coordinates: [ 0.666666665000000, 0.833333335000000, 0.499970350000000 ] mass: 65.380000 reduced_to: 13 - symbol: Zn # 33 coordinates: [ 0.333333335000000, 0.166666665000000, 0.749975860000000 ] mass: 65.380000 reduced_to: 1 - symbol: Zn # 34 coordinates: [ 0.833333335000000, 0.166666665000000, 0.749975860000000 ] mass: 65.380000 reduced_to: 1 - symbol: Zn # 35 coordinates: [ 0.333333335000000, 0.666666665000000, 0.749975860000000 ] mass: 65.380000 reduced_to: 1 - symbol: Zn # 36 coordinates: [ 0.833333335000000, 0.666666665000000, 0.749975860000000 ] mass: 65.380000 reduced_to: 1 - symbol: Zn # 37 coordinates: [ 0.166666665000000, 0.333333335000000, 0.666787580000000 ] mass: 65.380000 reduced_to: 5 - symbol: Zn # 38 coordinates: [ 0.666666665000000, 0.333333335000000, 0.666787580000000 ] mass: 65.380000 reduced_to: 5 - symbol: Zn # 39 coordinates: [ 0.166666665000000, 0.833333335000000, 0.666787580000000 ] mass: 65.380000 reduced_to: 5 - symbol: Zn # 40 coordinates: [ 0.666666665000000, 0.833333335000000, 0.666787580000000 ] mass: 65.380000 reduced_to: 5 - symbol: Zn # 41 coordinates: [ 0.333333335000000, 0.166666665000000, 0.916784870000000 ] mass: 65.380000 reduced_to: 9 - symbol: Zn # 42 coordinates: [ 0.833333335000000, 0.166666665000000, 0.916784870000000 ] mass: 65.380000 reduced_to: 9 - symbol: Zn # 43 coordinates: [ 0.333333335000000, 0.666666665000000, 0.916784870000000 ] mass: 65.380000 reduced_to: 9 - symbol: Zn # 44 coordinates: [ 0.833333335000000, 0.666666665000000, 0.916784870000000 ] mass: 65.380000 reduced_to: 9 - symbol: Zn # 45 coordinates: [ 0.000000000000000, 0.000000000000000, 0.833303690000000 ] mass: 65.380000 reduced_to: 13 - symbol: Zn # 46 coordinates: [ 0.500000000000000, 0.000000000000000, 0.833303690000000 ] mass: 65.380000 reduced_to: 13 - symbol: Zn # 47 coordinates: [ 0.000000000000000, 0.500000000000000, 0.833303690000000 ] mass: 65.380000 reduced_to: 13 - symbol: Zn # 48 coordinates: [ 0.500000000000000, 0.500000000000000, 0.833303690000000 ] mass: 65.380000 reduced_to: 13 - symbol: S # 49 coordinates: [ 0.166666665000000, 0.333333335000000, 0.312595760000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 50 coordinates: [ 0.666666665000000, 0.333333335000000, 0.312595760000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 51 coordinates: [ 0.166666665000000, 0.833333335000000, 0.312595760000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 52 coordinates: [ 0.666666665000000, 0.833333335000000, 0.312595760000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 53 coordinates: [ 0.333333335000000, 0.166666665000000, 0.229135070000000 ] mass: 32.065000 reduced_to: 53 - symbol: S # 54 coordinates: [ 0.833333335000000, 0.166666665000000, 0.229135070000000 ] mass: 32.065000 reduced_to: 53 - symbol: S # 55 coordinates: [ 0.333333335000000, 0.666666665000000, 0.229135070000000 ] mass: 32.065000 reduced_to: 53 - symbol: S # 56 coordinates: [ 0.833333335000000, 0.666666665000000, 0.229135070000000 ] mass: 32.065000 reduced_to: 53 - symbol: S # 57 coordinates: [ 0.166666665000000, 0.333333335000000, 0.145694280000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 58 coordinates: [ 0.666666665000000, 0.333333335000000, 0.145694280000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 59 coordinates: [ 0.166666665000000, 0.833333335000000, 0.145694280000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 60 coordinates: [ 0.666666665000000, 0.833333335000000, 0.145694280000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 61 coordinates: [ 0.000000000000000, 0.000000000000000, 0.062488870000000 ] mass: 32.065000 reduced_to: 61 - symbol: S # 62 coordinates: [ 0.500000000000000, 0.000000000000000, 0.062488870000000 ] mass: 32.065000 reduced_to: 61 - symbol: S # 63 coordinates: [ 0.000000000000000, 0.500000000000000, 0.062488870000000 ] mass: 32.065000 reduced_to: 61 - symbol: S # 64 coordinates: [ 0.500000000000000, 0.500000000000000, 0.062488870000000 ] mass: 32.065000 reduced_to: 61 - symbol: S # 65 coordinates: [ 0.000000000000000, 0.000000000000000, 0.645929100000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 66 coordinates: [ 0.500000000000000, 0.000000000000000, 0.645929100000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 67 coordinates: [ 0.000000000000000, 0.500000000000000, 0.645929100000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 68 coordinates: [ 0.500000000000000, 0.500000000000000, 0.645929100000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 69 coordinates: [ 0.166666665000000, 0.333333335000000, 0.562468410000000 ] mass: 32.065000 reduced_to: 53 - symbol: S # 70 coordinates: [ 0.666666665000000, 0.333333335000000, 0.562468410000000 ] mass: 32.065000 reduced_to: 53 - symbol: S # 71 coordinates: [ 0.166666665000000, 0.833333335000000, 0.562468410000000 ] mass: 32.065000 reduced_to: 53 - symbol: S # 72 coordinates: [ 0.666666665000000, 0.833333335000000, 0.562468410000000 ] mass: 32.065000 reduced_to: 53 - symbol: S # 73 coordinates: [ 0.000000000000000, 0.000000000000000, 0.479027610000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 74 coordinates: [ 0.500000000000000, 0.000000000000000, 0.479027610000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 75 coordinates: [ 0.000000000000000, 0.500000000000000, 0.479027610000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 76 coordinates: [ 0.500000000000000, 0.500000000000000, 0.479027610000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 77 coordinates: [ 0.333333335000000, 0.166666665000000, 0.395822210000000 ] mass: 32.065000 reduced_to: 61 - symbol: S # 78 coordinates: [ 0.833333335000000, 0.166666665000000, 0.395822210000000 ] mass: 32.065000 reduced_to: 61 - symbol: S # 79 coordinates: [ 0.333333335000000, 0.666666665000000, 0.395822210000000 ] mass: 32.065000 reduced_to: 61 - symbol: S # 80 coordinates: [ 0.833333335000000, 0.666666665000000, 0.395822210000000 ] mass: 32.065000 reduced_to: 61 - symbol: S # 81 coordinates: [ 0.333333335000000, 0.166666665000000, 0.979262430000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 82 coordinates: [ 0.833333335000000, 0.166666665000000, 0.979262430000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 83 coordinates: [ 0.333333335000000, 0.666666665000000, 0.979262430000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 84 coordinates: [ 0.833333335000000, 0.666666665000000, 0.979262430000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 85 coordinates: [ 0.000000000000000, 0.000000000000000, 0.895801740000000 ] mass: 32.065000 reduced_to: 53 - symbol: S # 86 coordinates: [ 0.500000000000000, 0.000000000000000, 0.895801740000000 ] mass: 32.065000 reduced_to: 53 - symbol: S # 87 coordinates: [ 0.000000000000000, 0.500000000000000, 0.895801740000000 ] mass: 32.065000 reduced_to: 53 - symbol: S # 88 coordinates: [ 0.500000000000000, 0.500000000000000, 0.895801740000000 ] mass: 32.065000 reduced_to: 53 - symbol: S # 89 coordinates: [ 0.333333335000000, 0.166666665000000, 0.812360940000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 90 coordinates: [ 0.833333335000000, 0.166666665000000, 0.812360940000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 91 coordinates: [ 0.333333335000000, 0.666666665000000, 0.812360940000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 92 coordinates: [ 0.833333335000000, 0.666666665000000, 0.812360940000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 93 coordinates: [ 0.166666665000000, 0.333333335000000, 0.729155540000000 ] mass: 32.065000 reduced_to: 61 - symbol: S # 94 coordinates: [ 0.666666665000000, 0.333333335000000, 0.729155540000000 ] mass: 32.065000 reduced_to: 61 - symbol: S # 95 coordinates: [ 0.166666665000000, 0.833333335000000, 0.729155540000000 ] mass: 32.065000 reduced_to: 61 - symbol: S # 96 coordinates: [ 0.666666665000000, 0.833333335000000, 0.729155540000000 ] mass: 32.065000 reduced_to: 61born_effective_charge:- # 1 (Zn) - [ 2.001103190000000, -0.000000000000000, -0.000000000000000 ] - [ -0.000000000000000, 2.001103190000000, 0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, 1.963256470000000 ]- # 2 (Zn) - [ 1.958685010000000, -0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 1.958685010000000, -0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, 1.991045280000000 ]- # 3 (Zn) - [ 1.937221340000000, -0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 1.937221340000000, -0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, 1.987537630000000 ]- # 4 (Zn) - [ 1.978990550000000, -0.000000000000000, -0.000000000000000 ] - [ -0.000000000000000, 1.978990550000000, 0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, 1.965605810000000 ]- # 5 (S) - [ -1.962373740000000, 0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, -1.962373740000000, 0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, -1.977039730000000 ]- # 6 (S) - [ -1.948282410000000, 0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, -1.948282410000000, 0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, -2.006546410000000 ]- # 7 (S) - [ -1.974881610000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.974881610000000, -0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, -1.974065200000000 ]- # 8 (S) - [ -1.990462320000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.990462320000000, -0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, -1.949793860000000 ]dielectric_constant: - [ 6.306385700000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 6.306385700000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 6.100931890000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0720917000000000, -0.0010380900000000, 0.0006775000000000 ] - [ 0.0113487900000000, 0.0000468100000000, -0.0000482100000000 ] - [ -0.0006067300000000, -0.0068905500000000, -0.0031947700000000 ] - [ -0.0005900800000000, 0.0068865600000000, 0.0031576500000000 ] - [ -0.0001551700000000, 0.0000058400000000, 0.0000077600000000 ] - [ 0.0005362900000000, 0.0000080800000000, -0.0000000200000000 ] - [ -0.0003129800000000, 0.0000937800000000, 0.0061694200000000 ] - [ -0.0003005200000000, -0.0000812400000000, -0.0061668100000000 ] - [ 0.0004272400000000, -0.0000101000000000, -0.0000253800000000 ] - [ -0.0003956900000000, -0.0000110200000000, -0.0000241500000000 ] - [ 0.0000545900000000, 0.0002485200000000, -0.0000817900000000 ] - [ 0.0000528900000000, -0.0002704900000000, 0.0000321200000000 ] - [ -0.0003072100000000, 0.0000941200000000, 0.0014011900000000 ] - [ -0.0003020000000000, -0.0000865900000000, -0.0015017300000000 ] - [ -0.0001480400000000, 0.0000051800000000, -0.0000568100000000 ] - [ 0.0005366600000000, 0.0000106400000000, -0.0000548900000000 ] - [ -0.0000124600000000, 0.0000079000000000, -0.0000266000000000 ] - [ -0.0000106500000000, 0.0000083100000000, -0.0000264100000000 ] - 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