# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/4efa5a7f-4f43-4d8d-b74c-c2e71b9df6e1/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 Rh2O3 / R-3c (167) / materials id 542734](https://mdr.nims.go.jp/datasets/f7f2e57c-dde0-4d50-a720-2cdbe7fed575) ## 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: "R-3c" number: 167 Hall_symbol: "-R 3 2\"c"primitive_matrix:- [ 0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [ 0.333333333333333, 0.333333333333333, -0.666666666666667 ]- [ 0.333333333333333, 0.333333333333333, 0.333333333333333 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 2.554459966666669, 1.474818149999998, 4.607007326666662 ] # a - [ -2.554459963333330, 1.474818149999998, 4.607007326666662 ] # b - [ -0.000000003333331, -2.949636300000001, 4.607007326666662 ] # c points: - symbol: Rh # 1 coordinates: [ 0.650560230000000, 0.650560220000003, 0.650560230000000 ] mass: 102.905500 - symbol: Rh # 2 coordinates: [ 0.849439770000000, 0.849439770000002, 0.849439770000000 ] mass: 102.905500 - symbol: Rh # 3 coordinates: [ 0.349439780000000, 0.349439770000002, 0.349439780000000 ] mass: 102.905500 - symbol: Rh # 4 coordinates: [ 0.150560220000000, 0.150560230000003, 0.150560220000000 ] mass: 102.905500 - symbol: O # 5 coordinates: [ 0.049641830000000, 0.450358170000002, 0.750000000000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.450358170000000, 0.750000000000002, 0.049641830000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.750000000000000, 0.049641830000002, 0.450358170000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.950358170000000, 0.549641840000003, 0.250000000000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.549641830000000, 0.250000010000003, 0.950358170000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.250000000000000, 0.950358180000003, 0.549641830000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.195736087803592, 0.113008282641789, 0.072353549646840 ] # a* - [ -0.195736087803592, 0.113008283084185, 0.072353549646840 ] # b* - [ -0.000000000000000, -0.226016565725973, 0.072353549646840 ] # c*unit_cell: lattice: - [ 5.108919930000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.554459960000000, 4.424454450000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 13.821021979999999 ] # c points: - symbol: Rh # 1 coordinates: [ 0.666666670000000, 0.333333330000000, 0.983893560000000 ] mass: 102.905500 reduced_to: 1 - symbol: Rh # 2 coordinates: [ 0.000000000000000, 0.000000000000000, 0.849439770000000 ] mass: 102.905500 reduced_to: 2 - symbol: Rh # 3 coordinates: [ 0.666666670000000, 0.333333330000000, 0.682773110000000 ] mass: 102.905500 reduced_to: 3 - symbol: Rh # 4 coordinates: [ 0.333333330000000, 0.666666670000000, 0.817226890000000 ] mass: 102.905500 reduced_to: 4 - symbol: Rh # 5 coordinates: [ 0.333333330000000, 0.666666670000000, 0.317226890000000 ] mass: 102.905500 reduced_to: 1 - symbol: Rh # 6 coordinates: [ 0.666666670000000, 0.333333330000000, 0.182773110000000 ] mass: 102.905500 reduced_to: 2 - symbol: Rh # 7 coordinates: [ 0.333333330000000, 0.666666670000000, 0.016106440000000 ] mass: 102.905500 reduced_to: 3 - symbol: Rh # 8 coordinates: [ 0.000000000000000, 0.000000000000000, 0.150560230000000 ] mass: 102.905500 reduced_to: 4 - symbol: Rh # 9 coordinates: [ 0.000000000000000, 0.000000000000000, 0.650560230000000 ] mass: 102.905500 reduced_to: 1 - symbol: Rh # 10 coordinates: [ 0.333333330000000, 0.666666670000000, 0.516106440000000 ] mass: 102.905500 reduced_to: 2 - symbol: Rh # 11 coordinates: [ 0.000000000000000, 0.000000000000000, 0.349439770000000 ] mass: 102.905500 reduced_to: 3 - symbol: Rh # 12 coordinates: [ 0.666666670000000, 0.333333330000000, 0.483893560000000 ] mass: 102.905500 reduced_to: 4 - symbol: O # 13 coordinates: [ 0.299641830000000, 0.000000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.700358170000000, 0.700358170000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.000000000000000, 0.299641830000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.033691500000000, 0.666666670000000, 0.916666670000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.632975160000000, 0.966308500000000, 0.916666670000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.333333330000000, 0.367024840000000, 0.916666670000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.966308500000000, 0.333333330000000, 0.083333330000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 20 coordinates: [ 0.367024840000000, 0.033691500000000, 0.083333330000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 21 coordinates: [ 0.666666670000000, 0.632975160000000, 0.083333330000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 22 coordinates: [ 0.700358170000000, 0.000000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 23 coordinates: [ 0.299641830000000, 0.299641830000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 24 coordinates: [ 0.000000000000000, 0.700358170000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 25 coordinates: [ 0.632975160000000, 0.666666670000000, 0.416666670000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 26 coordinates: [ 0.033691500000000, 0.367024840000000, 0.416666670000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 27 coordinates: [ 0.333333330000000, 0.966308500000000, 0.416666670000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 28 coordinates: [ 0.367024840000000, 0.333333330000000, 0.583333330000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 29 coordinates: [ 0.966308500000000, 0.632975160000000, 0.583333330000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 30 coordinates: [ 0.666666670000000, 0.033691500000000, 0.583333330000000 ] mass: 15.999400 reduced_to: 18supercell: lattice: - [ 10.217839860000000, 0.000000000000000, 0.000000000000000 ] # a - [ -5.108919920000000, 8.848908900000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 13.821021979999999 ] # c points: - symbol: Rh # 1 coordinates: [ 0.333333335000000, 0.166666665000000, 0.983893560000000 ] mass: 102.905500 reduced_to: 1 - symbol: Rh # 2 coordinates: [ 0.833333335000000, 0.166666665000000, 0.983893560000000 ] mass: 102.905500 reduced_to: 1 - symbol: Rh # 3 coordinates: [ 0.333333335000000, 0.666666665000000, 0.983893560000000 ] mass: 102.905500 reduced_to: 1 - symbol: Rh # 4 coordinates: [ 0.833333335000000, 0.666666665000000, 0.983893560000000 ] mass: 102.905500 reduced_to: 1 - symbol: Rh # 5 coordinates: [ 0.000000000000000, 0.000000000000000, 0.849439770000000 ] mass: 102.905500 reduced_to: 5 - symbol: Rh # 6 coordinates: [ 0.500000000000000, 0.000000000000000, 0.849439770000000 ] mass: 102.905500 reduced_to: 5 - symbol: Rh # 7 coordinates: [ 0.000000000000000, 0.500000000000000, 0.849439770000000 ] mass: 102.905500 reduced_to: 5 - symbol: Rh # 8 coordinates: [ 0.500000000000000, 0.500000000000000, 0.849439770000000 ] mass: 102.905500 reduced_to: 5 - symbol: Rh # 9 coordinates: [ 0.333333335000000, 0.166666665000000, 0.682773110000000 ] mass: 102.905500 reduced_to: 9 - symbol: Rh # 10 coordinates: [ 0.833333335000000, 0.166666665000000, 0.682773110000000 ] mass: 102.905500 reduced_to: 9 - symbol: Rh # 11 coordinates: [ 0.333333335000000, 0.666666665000000, 0.682773110000000 ] mass: 102.905500 reduced_to: 9 - symbol: Rh # 12 coordinates: [ 0.833333335000000, 0.666666665000000, 0.682773110000000 ] mass: 102.905500 reduced_to: 9 - symbol: Rh # 13 coordinates: [ 0.166666665000000, 0.333333335000000, 0.817226890000000 ] mass: 102.905500 reduced_to: 13 - symbol: Rh # 14 coordinates: [ 0.666666665000000, 0.333333335000000, 0.817226890000000 ] mass: 102.905500 reduced_to: 13 - symbol: Rh # 15 coordinates: [ 0.166666665000000, 0.833333335000000, 0.817226890000000 ] mass: 102.905500 reduced_to: 13 - symbol: Rh # 16 coordinates: [ 0.666666665000000, 0.833333335000000, 0.817226890000000 ] mass: 102.905500 reduced_to: 13 - symbol: Rh # 17 coordinates: [ 0.166666665000000, 0.333333335000000, 0.317226890000000 ] mass: 102.905500 reduced_to: 1 - symbol: Rh # 18 coordinates: [ 0.666666665000000, 0.333333335000000, 0.317226890000000 ] mass: 102.905500 reduced_to: 1 - symbol: Rh # 19 coordinates: [ 0.166666665000000, 0.833333335000000, 0.317226890000000 ] mass: 102.905500 reduced_to: 1 - symbol: Rh # 20 coordinates: [ 0.666666665000000, 0.833333335000000, 0.317226890000000 ] mass: 102.905500 reduced_to: 1 - symbol: Rh # 21 coordinates: [ 0.333333335000000, 0.166666665000000, 0.182773110000000 ] mass: 102.905500 reduced_to: 5 - symbol: Rh # 22 coordinates: [ 0.833333335000000, 0.166666665000000, 0.182773110000000 ] mass: 102.905500 reduced_to: 5 - symbol: Rh # 23 coordinates: [ 0.333333335000000, 0.666666665000000, 0.182773110000000 ] mass: 102.905500 reduced_to: 5 - symbol: Rh # 24 coordinates: [ 0.833333335000000, 0.666666665000000, 0.182773110000000 ] mass: 102.905500 reduced_to: 5 - symbol: Rh # 25 coordinates: [ 0.166666665000000, 0.333333335000000, 0.016106440000000 ] mass: 102.905500 reduced_to: 9 - symbol: Rh # 26 coordinates: [ 0.666666665000000, 0.333333335000000, 0.016106440000000 ] mass: 102.905500 reduced_to: 9 - symbol: Rh # 27 coordinates: [ 0.166666665000000, 0.833333335000000, 0.016106440000000 ] mass: 102.905500 reduced_to: 9 - symbol: Rh # 28 coordinates: [ 0.666666665000000, 0.833333335000000, 0.016106440000000 ] mass: 102.905500 reduced_to: 9 - symbol: Rh # 29 coordinates: [ 0.000000000000000, 0.000000000000000, 0.150560230000000 ] mass: 102.905500 reduced_to: 13 - symbol: Rh # 30 coordinates: [ 0.500000000000000, 0.000000000000000, 0.150560230000000 ] mass: 102.905500 reduced_to: 13 - symbol: Rh # 31 coordinates: [ 0.000000000000000, 0.500000000000000, 0.150560230000000 ] mass: 102.905500 reduced_to: 13 - symbol: Rh # 32 coordinates: [ 0.500000000000000, 0.500000000000000, 0.150560230000000 ] mass: 102.905500 reduced_to: 13 - symbol: Rh # 33 coordinates: [ 0.000000000000000, 0.000000000000000, 0.650560230000000 ] mass: 102.905500 reduced_to: 1 - symbol: Rh # 34 coordinates: [ 0.500000000000000, 0.000000000000000, 0.650560230000000 ] mass: 102.905500 reduced_to: 1 - symbol: Rh # 35 coordinates: [ 0.000000000000000, 0.500000000000000, 0.650560230000000 ] mass: 102.905500 reduced_to: 1 - symbol: Rh # 36 coordinates: [ 0.500000000000000, 0.500000000000000, 0.650560230000000 ] mass: 102.905500 reduced_to: 1 - symbol: Rh # 37 coordinates: [ 0.166666665000000, 0.333333335000000, 0.516106440000000 ] mass: 102.905500 reduced_to: 5 - symbol: Rh # 38 coordinates: [ 0.666666665000000, 0.333333335000000, 0.516106440000000 ] mass: 102.905500 reduced_to: 5 - symbol: Rh # 39 coordinates: [ 0.166666665000000, 0.833333335000000, 0.516106440000000 ] mass: 102.905500 reduced_to: 5 - symbol: Rh # 40 coordinates: [ 0.666666665000000, 0.833333335000000, 0.516106440000000 ] mass: 102.905500 reduced_to: 5 - symbol: Rh # 41 coordinates: [ 0.000000000000000, 0.000000000000000, 0.349439770000000 ] mass: 102.905500 reduced_to: 9 - symbol: Rh # 42 coordinates: [ 0.500000000000000, 0.000000000000000, 0.349439770000000 ] mass: 102.905500 reduced_to: 9 - symbol: Rh # 43 coordinates: [ 0.000000000000000, 0.500000000000000, 0.349439770000000 ] mass: 102.905500 reduced_to: 9 - symbol: Rh # 44 coordinates: [ 0.500000000000000, 0.500000000000000, 0.349439770000000 ] mass: 102.905500 reduced_to: 9 - symbol: Rh # 45 coordinates: [ 0.333333335000000, 0.166666665000000, 0.483893560000000 ] mass: 102.905500 reduced_to: 13 - symbol: Rh # 46 coordinates: [ 0.833333335000000, 0.166666665000000, 0.483893560000000 ] mass: 102.905500 reduced_to: 13 - symbol: Rh # 47 coordinates: [ 0.333333335000000, 0.666666665000000, 0.483893560000000 ] mass: 102.905500 reduced_to: 13 - symbol: Rh # 48 coordinates: [ 0.833333335000000, 0.666666665000000, 0.483893560000000 ] mass: 102.905500 reduced_to: 13 - symbol: O # 49 coordinates: [ 0.149820915000000, 0.000000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.649820915000000, 0.000000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.149820915000000, 0.500000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.649820915000000, 0.500000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.350179085000000, 0.350179085000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.850179085000000, 0.350179085000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.350179085000000, 0.850179085000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 56 coordinates: [ 0.850179085000000, 0.850179085000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 57 coordinates: [ 0.000000000000000, 0.149820915000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.500000000000000, 0.149820915000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.000000000000000, 0.649820915000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 60 coordinates: [ 0.500000000000000, 0.649820915000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 61 coordinates: [ 0.016845750000000, 0.333333335000000, 0.916666670000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.516845750000000, 0.333333335000000, 0.916666670000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.016845750000000, 0.833333335000000, 0.916666670000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.516845750000000, 0.833333335000000, 0.916666670000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 65 coordinates: [ 0.316487580000000, 0.483154250000000, 0.916666670000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.816487580000000, 0.483154250000000, 0.916666670000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.316487580000000, 0.983154250000000, 0.916666670000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 68 coordinates: [ 0.816487580000000, 0.983154250000000, 0.916666670000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 69 coordinates: [ 0.166666665000000, 0.183512420000000, 0.916666670000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.666666665000000, 0.183512420000000, 0.916666670000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.166666665000000, 0.683512420000000, 0.916666670000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 72 coordinates: [ 0.666666665000000, 0.683512420000000, 0.916666670000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 73 coordinates: [ 0.483154250000000, 0.166666665000000, 0.083333330000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 74 coordinates: [ 0.983154250000000, 0.166666665000000, 0.083333330000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 75 coordinates: [ 0.483154250000000, 0.666666665000000, 0.083333330000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 76 coordinates: [ 0.983154250000000, 0.666666665000000, 0.083333330000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 77 coordinates: [ 0.183512420000000, 0.016845750000000, 0.083333330000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 78 coordinates: [ 0.683512420000000, 0.016845750000000, 0.083333330000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 79 coordinates: [ 0.183512420000000, 0.516845750000000, 0.083333330000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 80 coordinates: [ 0.683512420000000, 0.516845750000000, 0.083333330000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 81 coordinates: [ 0.333333335000000, 0.316487580000000, 0.083333330000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 82 coordinates: [ 0.833333335000000, 0.316487580000000, 0.083333330000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 83 coordinates: [ 0.333333335000000, 0.816487580000000, 0.083333330000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 84 coordinates: [ 0.833333335000000, 0.816487580000000, 0.083333330000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 85 coordinates: [ 0.350179085000000, 0.000000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 86 coordinates: [ 0.850179085000000, 0.000000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 87 coordinates: [ 0.350179085000000, 0.500000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 88 coordinates: [ 0.850179085000000, 0.500000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 89 coordinates: [ 0.149820915000000, 0.149820915000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 90 coordinates: [ 0.649820915000000, 0.149820915000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 91 coordinates: [ 0.149820915000000, 0.649820915000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 92 coordinates: [ 0.649820915000000, 0.649820915000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 93 coordinates: [ 0.000000000000000, 0.350179085000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 94 coordinates: [ 0.500000000000000, 0.350179085000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 95 coordinates: [ 0.000000000000000, 0.850179085000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 96 coordinates: [ 0.500000000000000, 0.850179085000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 97 coordinates: [ 0.316487580000000, 0.333333335000000, 0.416666670000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 98 coordinates: [ 0.816487580000000, 0.333333335000000, 0.416666670000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 99 coordinates: [ 0.316487580000000, 0.833333335000000, 0.416666670000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 100 coordinates: [ 0.816487580000000, 0.833333335000000, 0.416666670000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 101 coordinates: [ 0.016845750000000, 0.183512420000000, 0.416666670000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 102 coordinates: [ 0.516845750000000, 0.183512420000000, 0.416666670000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 103 coordinates: [ 0.016845750000000, 0.683512420000000, 0.416666670000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 104 coordinates: [ 0.516845750000000, 0.683512420000000, 0.416666670000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 105 coordinates: [ 0.166666665000000, 0.483154250000000, 0.416666670000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 106 coordinates: [ 0.666666665000000, 0.483154250000000, 0.416666670000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 107 coordinates: [ 0.166666665000000, 0.983154250000000, 0.416666670000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 108 coordinates: [ 0.666666665000000, 0.983154250000000, 0.416666670000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 109 coordinates: [ 0.183512420000000, 0.166666665000000, 0.583333330000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 110 coordinates: [ 0.683512420000000, 0.166666665000000, 0.583333330000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 111 coordinates: [ 0.183512420000000, 0.666666665000000, 0.583333330000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 112 coordinates: [ 0.683512420000000, 0.666666665000000, 0.583333330000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 113 coordinates: [ 0.483154250000000, 0.316487580000000, 0.583333330000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 114 coordinates: [ 0.983154250000000, 0.316487580000000, 0.583333330000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 115 coordinates: [ 0.483154250000000, 0.816487580000000, 0.583333330000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 116 coordinates: [ 0.983154250000000, 0.816487580000000, 0.583333330000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 117 coordinates: [ 0.333333335000000, 0.016845750000000, 0.583333330000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 118 coordinates: [ 0.833333335000000, 0.016845750000000, 0.583333330000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 119 coordinates: [ 0.333333335000000, 0.516845750000000, 0.583333330000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 120 coordinates: [ 0.833333335000000, 0.516845750000000, 0.583333330000000 ] mass: 15.999400 reduced_to: 69born_effective_charge:- # 1 (Rh) - [ 1.178963970000000, 0.885152950000000, -0.000000000000000 ] - [ -0.885152950000000, 1.178963970000000, 0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, 1.590469950000000 ]- # 2 (Rh) - [ 1.178963970317515, -0.885152950549952, -0.000000000000000 ] - [ 0.885152949450048, 1.178963969682485, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.590469950000000 ]- # 3 (Rh) - [ 1.178963970000000, 0.885152950000000, -0.000000000000000 ] - [ -0.885152950000000, 1.178963970000000, 0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, 1.590469950000000 ]- # 4 (Rh) - [ 1.178963970317515, -0.885152950549952, -0.000000000000000 ] - [ 0.885152949450048, 1.178963969682485, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.590469950000000 ]- # 5 (O) - [ -1.543043320000000, -0.000000000000000, -0.000000000000000 ] - [ -0.000000000000000, -0.028908630000000, 0.671606540000000 ] - [ -0.000000000000000, 0.907939060000000, -1.060313300000000 ]- # 6 (O) - [ -0.407442302499999, -0.655639552561658, 0.581628325608169 ] - [ -0.655639553729618, -1.164509647500000, -0.335803270657288 ] - [ 0.786298290209451, -0.453969529111417, -1.060313300000001 ]- # 7 (O) - [ -0.407442302500000, 0.655639555128306, -0.581628325608169 ] - [ 0.655639551162971, -1.164509647500000, -0.335803269342712 ] - [ -0.786298290209451, -0.453969530888583, -1.060313300000000 ]- # 8 (O) - [ -1.543043320000000, -0.000000000000000, -0.000000000000000 ] - [ -0.000000000000000, -0.028908630000000, 0.671606540000000 ] - [ -0.000000000000000, 0.907939060000000, -1.060313300000000 ]- # 9 (O) - [ -0.407442302499999, -0.655639552561658, 0.581628325608169 ] - [ -0.655639553729618, -1.164509647500000, -0.335803270657288 ] - [ 0.786298290209451, -0.453969529111417, -1.060313300000001 ]- # 10 (O) - [ -0.407442302500000, 0.655639555128306, -0.581628325608169 ] - [ 0.655639551162971, -1.164509647500000, -0.335803269342712 ] - [ -0.786298290209451, -0.453969530888583, -1.060313300000000 ]dielectric_constant: - [ 19.097972540000001, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 19.097972540000001, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 22.851398350000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.2935126200000000, -0.0007509400000000, -0.0026315700000000 ] - [ 0.0014776900000000, -0.0004064900000000, -0.0025069300000000 ] - [ -0.0000042700000000, -0.0004514800000000, -0.0026069500000000 ] - [ 0.0007051800000000, 0.0008488400000000, -0.0027581000000000 ] - [ -0.0000596300000000, 0.0004751100000000, 0.0044358700000000 ] - [ -0.0000450100000000, -0.0110023300000000, 0.0013102200000000 ] - [ 0.0011291600000000, -0.0016771900000000, 0.0026217200000000 ] - [ -0.0098637500000000, -0.0052387500000000, 0.0021187600000000 ] - [ 0.0005309000000000, -0.0000037300000000, 0.0026142000000000 ] - [ 0.0005476200000000, -0.0009609400000000, 0.0023439500000000 ] - [ -0.0018261600000000, -0.0004077700000000, 0.0031121300000000 ] - [ -0.0001704100000000, 0.0013655000000000, 0.0024250800000000 ] - [ -0.0009320300000000, -0.0083410500000000, 0.0067105600000000 ] - [ 0.0014789900000000, 0.0016172900000000, -0.0039088200000000 ] - [ -0.0082893700000000, -0.0013608400000000, -0.0107521400000000 ] - [ -0.0000334800000000, 0.0009853000000000, -0.0026260900000000 ] - [ 0.0003159600000000, 0.0001233100000000, -0.0025875300000000 ] - [ -0.0002011300000000, 0.0001576800000000, -0.0021941500000000 ] - [ 0.0000219800000000, -0.0003134300000000, -0.0030825500000000 ] - [ 0.0011461500000000, -0.0001831200000000, -0.0026266600000000 ] - [ -0.0089943300000000, -0.0091206900000000, 0.0023794800000000 ] - [ 0.0009584600000000, 0.0001307000000000, 0.0021329800000000 ] - [ 0.0002917500000000, -0.0002396700000000, 0.0022702500000000 ] - [ 0.0002970300000000, 0.0005254100000000, 0.0034760800000000 ] - [ 0.0262447300000000, -0.0142483800000000, -0.0017123200000000 ] - [ 0.0215361000000000, 0.0173751800000000, 0.0050234900000000 ] - [ -0.0034190100000000, -0.0028695000000000, 0.0046932400000000 ] - [ 0.0002788400000000, -0.0000053800000000, 0.0026225400000000 ] - [ -0.0008669800000000, 0.0028547200000000, -0.0069022400000000 ] - [ 0.0015128100000000, -0.0068767200000000, -0.0021011000000000 ] - [ -0.0000352800000000, 0.0009786100000000, -0.0026231600000000 ] - [ -0.0083211000000000, -0.0040818600000000, 0.0012131700000000 ] - [ -0.0002088300000000, 0.0001745900000000, -0.0023233800000000 ] - [ 0.0003188500000000, 0.0001406700000000, -0.0027625400000000 ] - [ 0.0011705100000000, 0.0001900800000000, -0.0026222500000000 ] - [ 0.0000298200000000, -0.0002915000000000, -0.0027908700000000 ] - [ 0.0000412200000000, 0.0000118500000000, 0.0025683600000000 ] - [ 0.0000417800000000, -0.0000764700000000, 0.0025862000000000 ] - [ 0.0001214900000000, -0.0000329300000000, 0.0027299000000000 ] - [ -0.0000557700000000, 0.0005323200000000, 0.0026278800000000 ] - [ 0.0005068700000000, -0.0006740600000000, 0.0031568100000000 ] - [ -0.0008122700000000, -0.0001133200000000, 0.0028272500000000 ] - [ 0.0000924600000000, -0.0000005700000000, 0.0026248900000000 ] - [ 0.0003270100000000, 0.0007771900000000, 0.0018790500000000 ] - [ -0.0002175400000000, 0.0000070700000000, -0.0026242600000000 ] - [ -0.0000888300000000, 0.0000880200000000, -0.0025070300000000 ] - [ 0.0001487000000000, 0.0002222500000000, -0.0026955200000000 ] - [ 0.0001495200000000, -0.0000500300000000, -0.0026739500000000 ] - [ -0.0002021100000000, -0.0000857700000000, -0.0001921400000000 ] - [ 0.0025710900000000, 0.0021598400000000, -0.0012713100000000 ] - [ 0.0007806400000000, 0.0016529800000000, -0.0012042100000000 ] - [ 0.0010692200000000, 0.0000665500000000, -0.0003059500000000 ] - [ -0.0013774800000000, -0.0007655000000000, 0.0002936800000000 ] - [ 0.0008912000000000, -0.0007204700000000, -0.0012830400000000 ] - [ 0.0002672600000000, -0.0004046600000000, 0.0001314800000000 ] - [ -0.0001814100000000, -0.0004086200000000, 0.0003081100000000 ] - [ -0.0002254800000000, 0.0013608200000000, 0.0001551000000000 ] - [ -0.0015174700000000, 0.0007988200000000, -0.0001170500000000 ] - [ 0.0015600700000000, 0.0027488300000000, 0.0024508100000000 ] - [ 0.0020806300000000, 0.0007474900000000, 0.0009283800000000 ] - [ -0.0013175300000000, 0.0007120300000000, -0.0006686500000000 ] - [ 0.0436683400000000, 0.0233024000000000, -0.0162410900000000 ] - [ -0.0006456300000000, 0.0011323800000000, 0.0005053300000000 ] - [ -0.0006352600000000, 0.0000772700000000, -0.0002223200000000 ] - [ -0.0006698600000000, 0.0003573900000000, 0.0001412600000000 ] - [ -0.0005614800000000, 0.0004378800000000, 0.0013052100000000 ] - [ 0.0440063200000000, -0.0100680700000000, 0.0002392800000000 ] - [ 0.0008017000000000, 0.0007687700000000, -0.0005349800000000 ] - [ 0.0707846600000000, 0.0049341400000000, 0.0144822100000000 ] - [ 0.0013522800000000, -0.0015117200000000, -0.0006638800000000 ] - [ 0.0005956400000000, -0.0010127800000000, -0.0006492100000000 ] - [ 0.0007754900000000, -0.0005548600000000, 0.0007614100000000 ] - [ 0.0446441600000000, 0.0023270000000000, 0.0275278700000000 ] - [ 0.0010372700000000, 0.0005020900000000, -0.0001411900000000 ] - [ 0.0006871100000000, -0.0005152700000000, 0.0000536300000000 ] - [ 0.0013753400000000, 0.0003800100000000, -0.0004280500000000 ] - [ 0.0313004400000000, 0.0066330500000000, -0.0071916100000000 ] - [ 0.0000701800000000, -0.0007642600000000, -0.0004623200000000 ] - [ -0.0013034100000000, -0.0001196100000000, 0.0000078200000000 ] - [ -0.0004441800000000, -0.0002211900000000, 0.0002568200000000 ] - [ 0.0322446100000000, -0.0031822800000000, -0.0186337400000000 ] - [ -0.0008133600000000, 0.0000261500000000, 0.0004281000000000 ] - [ -0.0003575800000000, 0.0010746800000000, -0.0001215800000000 ] - [ -0.0006893800000000, 0.0010580400000000, 0.0004181300000000 ] - [ -0.0011144000000000, 0.0006563200000000, 0.0012494900000000 ] - [ 0.0006718800000000, -0.0001300600000000, -0.0006747000000000 ] - [ -0.0002933300000000, 0.0003063600000000, -0.0001922400000000 ] - [ -0.0010073800000000, -0.0000054700000000, 0.0001394300000000 ] - [ 0.0018771900000000, 0.0019646200000000, -0.0011982500000000 ] - [ 0.0003028700000000, 0.0012923900000000, 0.0003189600000000 ] - [ 0.0004568100000000, 0.0006289000000000, -0.0001056200000000 ] - [ 0.0019808400000000, 0.0024491300000000, 0.0005280900000000 ] - [ 0.0004600100000000, -0.0006559500000000, -0.0000354100000000 ] - [ 0.0005629000000000, 0.0016644200000000, -0.0000224800000000 ] - [ 0.0004266800000000, -0.0009250000000000, -0.0001332600000000 ] - [ 0.0004039800000000, 0.0000006100000000, 0.0001939800000000 ] - [ 0.0008014600000000, -0.0001579900000000, 0.0000832400000000 ] - [ 0.0008497100000000, -0.0000206900000000, 0.0000048100000000 ] - [ 0.0010240700000000, 0.0000557400000000, 0.0000703300000000 ] - [ 0.0007135500000000, 0.0002155600000000, -0.0003951100000000 ] - [ -0.0004245800000000, -0.0006803700000000, 0.0000651900000000 ] - [ -0.0003946200000000, -0.0009015300000000, -0.0001040300000000 ] - [ -0.0005010700000000, -0.0006725400000000, 0.0000057600000000 ] - [ -0.0005456200000000, -0.0007930000000000, 0.0000116000000000 ] - [ -0.0005470000000000, 0.0007086200000000, -0.0000137600000000 ] - [ -0.0003460200000000, 0.0006601600000000, -0.0001370300000000 ] - [ -0.0004330700000000, 0.0006641000000000, 0.0000222100000000 ] - [ -0.0003384300000000, 0.0008523700000000, 0.0003796100000000 ] - [ -0.0009779600000000, 0.0000901900000000, 0.0000183300000000 ] - [ -0.0009673000000000, -0.0000413900000000, -0.0000255700000000 ] - [ -0.0003089800000000, 0.0001451200000000, 0.0000090000000000 ] - [ -0.0005954300000000, -0.0003866600000000, 0.0001912900000000 ] - [ 0.0003111300000000, 0.0007899300000000, -0.0000202900000000 ] - [ 0.0002710100000000, 0.0012998100000000, 0.0002475700000000 ] - [ 0.0009027400000000, 0.0008433900000000, -0.0003073900000000 ] - [ 0.0003028600000000, 0.0005916500000000, 0.0000503400000000 ] - [ 0.0003456900000000, -0.0006720600000000, 0.0000021300000000 ] - [ 0.0003739900000000, -0.0007014000000000, 0.0001168600000000 ] - [ 0.0004038400000000, -0.0008538700000000, -0.0000257900000000 ] - [ 0.0002661600000000, -0.0010075400000000, -0.0002634900000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.2952815700000000, -0.0007517900000000, -0.0025694400000000 ] - [ -0.0014839700000000, 0.0004093100000000, -0.0027445900000000 ] - [ 0.0000056700000000, 0.0004468000000000, -0.0026349600000000 ] - [ -0.0007000600000000, -0.0008635900000000, -0.0024928900000000 ] - [ 0.0000437100000000, -0.0002429900000000, 0.0009080700000000 ] - [ 0.0000586800000000, 0.0107601300000000, 0.0038526500000000 ] - [ -0.0011139300000000, 0.0016528900000000, 0.0026219300000000 ] - [ 0.0097121100000000, 0.0052796200000000, 0.0031043200000000 ] - [ -0.0005233300000000, -0.0000027900000000, 0.0026140700000000 ] - [ -0.0005336100000000, 0.0009554700000000, 0.0029139400000000 ] - [ 0.0018086400000000, 0.0003981500000000, 0.0021501500000000 ] - [ 0.0001442300000000, -0.0013574700000000, 0.0028160400000000 ] - [ 0.0009196400000000, 0.0083786300000000, -0.0120295900000000 ] - [ -0.0015128700000000, -0.0014907700000000, -0.0012975200000000 ] - [ 0.0083096500000000, 0.0012520600000000, 0.0053817500000000 ] - [ 0.0000371200000000, -0.0009762700000000, -0.0026241200000000 ] - [ -0.0003161000000000, -0.0001209800000000, -0.0026578300000000 ] - [ 0.0002078300000000, -0.0001639500000000, -0.0030487900000000 ] - [ -0.0000229000000000, 0.0003055200000000, -0.0021554000000000 ] - [ -0.0011690200000000, 0.0001896400000000, -0.0026262900000000 ] - [ 0.0091372000000000, 0.0091933200000000, 0.0023777300000000 ] - [ -0.0009661000000000, -0.0001524600000000, 0.0031347100000000 ] - [ -0.0003183800000000, 0.0002358600000000, 0.0029723200000000 ] - [ -0.0003128500000000, -0.0005168100000000, 0.0017718700000000 ] - [ -0.0267205200000000, 0.0143715900000000, 0.0068372100000000 ] - [ -0.0212353800000000, -0.0171298100000000, 0.0006097200000000 ] - [ 0.0033827800000000, 0.0030119800000000, 0.0005404600000000 ] - [ -0.0002805100000000, -0.0000037000000000, 0.0026206700000000 ] - [ 0.0009813500000000, -0.0030485800000000, 0.0018262900000000 ] - [ -0.0014790400000000, 0.0070476400000000, -0.0031069700000000 ] - [ 0.0000353200000000, -0.0009858600000000, -0.0026224200000000 ] - [ 0.0082788000000000, 0.0041236500000000, -0.0065080000000000 ] - [ 0.0001990300000000, -0.0001822700000000, -0.0029211500000000 ] - [ -0.0003142600000000, -0.0001378000000000, -0.0024931400000000 ] - [ -0.0011439700000000, -0.0001820400000000, -0.0026211000000000 ] - [ -0.0000146100000000, 0.0002916900000000, -0.0024598100000000 ] - [ -0.0000422600000000, -0.0000090800000000, 0.0026874500000000 ] - [ -0.0000429600000000, 0.0000798100000000, 0.0026693800000000 ] - [ -0.0001167100000000, 0.0000344000000000, 0.0025240700000000 ] - [ 0.0000634100000000, -0.0005339900000000, 0.0026269900000000 ] - [ -0.0005271500000000, 0.0006572800000000, 0.0020857300000000 ] - [ 0.0008329800000000, 0.0001030800000000, 0.0024041400000000 ] - [ -0.0000905700000000, 0.0000001300000000, 0.0026241000000000 ] - [ -0.0003336300000000, -0.0007696700000000, 0.0033746300000000 ] - [ 0.0002149800000000, -0.0000041400000000, -0.0026241800000000 ] - [ 0.0000853300000000, -0.0000861700000000, -0.0027476300000000 ] - [ -0.0001510100000000, -0.0002251300000000, -0.0025574800000000 ] - [ -0.0001499000000000, 0.0000502200000000, -0.0025718900000000 ] - [ 0.0019390500000000, 0.0000945400000000, 0.0001692400000000 ] - [ -0.0008294500000000, -0.0021045600000000, 0.0012651700000000 ] - [ 0.0008904100000000, -0.0016033100000000, 0.0011639700000000 ] - [ 0.0006613500000000, -0.0000679100000000, 0.0002851500000000 ] - [ 0.0005242900000000, -0.0007310000000000, -0.0003009700000000 ] - [ -0.0017048600000000, -0.0007925300000000, 0.0012400200000000 ] - [ -0.0011176700000000, -0.0010871800000000, -0.0001402100000000 ] - [ -0.0006808400000000, -0.0011680200000000, -0.0003721400000000 ] - [ -0.0006455000000000, 0.0001047200000000, -0.0001629700000000 ] - [ 0.0006323800000000, 0.0006975400000000, 0.0001161800000000 ] - [ -0.0024382400000000, -0.0012610800000000, -0.0024398700000000 ] - [ -0.0029045800000000, 0.0007473100000000, -0.0009284300000000 ] - [ -0.0004284300000000, -0.0007036600000000, 0.0006876500000000 ] - [ -0.0443608500000000, -0.0221244500000000, 0.0153700800000000 ] - [ -0.0010640700000000, -0.0011771800000000, -0.0004947900000000 ] - [ -0.0010763500000000, -0.0000792600000000, 0.0002208400000000 ] - [ 0.0015388800000000, 0.0011604100000000, -0.0001680500000000 ] - [ 0.0014078100000000, 0.0010533900000000, -0.0013484300000000 ] - [ -0.0427371400000000, 0.0109078100000000, -0.0005076000000000 ] - [ 0.0000505600000000, 0.0007189100000000, 0.0005389400000000 ] - [ -0.0741647000000000, -0.0061740600000000, -0.0164121600000000 ] - [ -0.0004500000000000, 0.0000097500000000, 0.0006441900000000 ] - [ 0.0002635200000000, -0.0004791100000000, 0.0006474900000000 ] - [ 0.0000855600000000, -0.0009271800000000, -0.0007561000000000 ] - [ -0.0408644700000000, -0.0023789200000000, -0.0256607700000000 ] - [ 0.0006895000000000, -0.0005076600000000, 0.0001285700000000 ] - [ 0.0010286300000000, 0.0005176400000000, -0.0000452900000000 ] - [ 0.0003366800000000, -0.0003953300000000, 0.0004402500000000 ] - [ -0.0327772800000000, -0.0086377300000000, 0.0077533500000000 ] - [ -0.0009374000000000, -0.0007199700000000, 0.0004664200000000 ] - [ 0.0004772000000000, -0.0013206600000000, 0.0000455500000000 ] - [ -0.0003982300000000, -0.0012361000000000, -0.0002463300000000 ] - [ -0.0333843900000000, 0.0053708500000000, 0.0195866800000000 ] - [ -0.0000710900000000, 0.0014783300000000, -0.0004746000000000 ] - [ -0.0005029500000000, 0.0004040400000000, 0.0001126000000000 ] - [ -0.0001665100000000, 0.0004285200000000, -0.0004112000000000 ] - [ -0.0006126000000000, -0.0006717600000000, -0.0012239800000000 ] - [ -0.0024505200000000, 0.0001510700000000, 0.0006943900000000 ] - [ -0.0014306900000000, -0.0003013900000000, 0.0001890600000000 ] - [ -0.0007113000000000, 0.0000091300000000, -0.0001391300000000 ] - [ -0.0010441800000000, -0.0004600000000000, 0.0012029800000000 ] - [ 0.0005668100000000, 0.0001917000000000, -0.0003248000000000 ] - [ 0.0004077500000000, 0.0008574600000000, 0.0001042500000000 ] - [ -0.0011060600000000, -0.0009569600000000, -0.0005096800000000 ] - [ 0.0003970600000000, -0.0008310900000000, 0.0000337200000000 ] - [ 0.0003015000000000, -0.0031774400000000, 0.0000492500000000 ] - [ 0.0004164000000000, -0.0005643400000000, 0.0001294400000000 ] - [ 0.0004921200000000, -0.0015289700000000, -0.0001370600000000 ] - [ 0.0009159300000000, 0.0001552200000000, -0.0000838600000000 ] - [ 0.0008606700000000, 0.0000221900000000, -0.0000065800000000 ] - [ 0.0006899000000000, -0.0000571700000000, -0.0000726700000000 ] - [ 0.0010106300000000, -0.0002111000000000, 0.0003929900000000 ] - [ -0.0004311300000000, -0.0008031400000000, -0.0000685700000000 ] - [ -0.0004660700000000, -0.0005789200000000, 0.0001064900000000 ] - [ -0.0003536000000000, -0.0008131400000000, -0.0000085500000000 ] - [ -0.0003098600000000, -0.0007031500000000, -0.0000142000000000 ] - [ -0.0003105500000000, 0.0007763400000000, 0.0000105800000000 ] - [ -0.0005090800000000, 0.0008243300000000, 0.0001384700000000 ] - [ -0.0004202400000000, 0.0008199400000000, -0.0000218700000000 ] - [ -0.0005205300000000, 0.0006295500000000, -0.0003840700000000 ] - [ -0.0007352500000000, -0.0000900000000000, -0.0000178700000000 ] - [ -0.0007508400000000, 0.0000433100000000, 0.0000267300000000 ] - [ -0.0014010400000000, -0.0001380600000000, -0.0000147400000000 ] - [ -0.0011169900000000, 0.0003845600000000, -0.0001896900000000 ] - [ 0.0005489400000000, 0.0007001600000000, 0.0000206000000000 ] - [ 0.0005850500000000, 0.0001925700000000, -0.0002497400000000 ] - [ -0.0000436500000000, 0.0006410600000000, 0.0003075500000000 ] - [ 0.0005526400000000, 0.0008942700000000, -0.0000510600000000 ] - [ 0.0005086800000000, -0.0008114900000000, -0.0000024700000000 ] - [ 0.0004842200000000, -0.0007851200000000, -0.0001159800000000 ] - [ 0.0004491800000000, -0.0006317800000000, 0.0000241100000000 ] - [ 0.0005914900000000, -0.0004854700000000, 0.0002583000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.2840507900000000 ] - [ 0.0001233000000000, -0.0000927000000000, -0.0025291100000000 ] - [ 0.0000186300000000, 0.0001531300000000, -0.0025291100000000 ] - [ -0.0001419300000000, -0.0000604300000000, -0.0025291100000000 ] - [ 0.0012078200000000, 0.0013122400000000, 0.0053978900000000 ] - [ -0.0017403400000000, 0.0003898900000000, 0.0053978900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0029758000000000 ] - [ 0.0005325200000000, -0.0017021200000000, 0.0053978900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039249800000000 ] - [ -0.0002834500000000, -0.0003887200000000, 0.0027548600000000 ] - [ 0.0004783600000000, -0.0000511100000000, 0.0027548600000000 ] - [ -0.0001949200000000, 0.0004398300000000, 0.0027548600000000 ] - [ 0.0042807500000000, 0.0019006200000000, -0.0010070100000000 ] - [ -0.0004943900000000, -0.0046575400000000, -0.0010070100000000 ] - [ -0.0037863500000000, 0.0027569300000000, -0.0010070100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027946200000000 ] - [ -0.0001355300000000, 0.0002691300000000, -0.0022901000000000 ] - [ 0.0003008400000000, -0.0000171900000000, -0.0022901000000000 ] - [ -0.0001653100000000, -0.0002519400000000, -0.0022901000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032601200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0818787400000000 ] - [ 0.0004986300000000, 0.0006877200000000, 0.0011436800000000 ] - [ -0.0008448900000000, 0.0000879600000000, 0.0011436800000000 ] - [ 0.0003462700000000, -0.0007756800000000, 0.0011436800000000 ] - [ -0.0041186200000000, 0.0000868400000000, -0.0051851500000000 ] - [ 0.0021345100000000, 0.0035234100000000, -0.0051851500000000 ] - [ 0.0019841000000000, -0.0036102500000000, -0.0051851500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022461500000000 ] - [ -0.0093374500000000, 0.0039054400000000, -0.0010400400000000 ] - [ 0.0012865200000000, -0.0100391900000000, -0.0010400400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027918000000000 ] - [ 0.0080509300000000, 0.0061337500000000, -0.0010400400000000 ] - [ 0.0004288800000000, -0.0002865500000000, -0.0022926100000000 ] - [ 0.0000337200000000, 0.0005147000000000, -0.0022926100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032760800000000 ] - [ -0.0004626000000000, -0.0002281500000000, -0.0022926100000000 ] - [ 0.0000397800000000, 0.0000916900000000, 0.0027087000000000 ] - [ 0.0000595200000000, -0.0000803000000000, 0.0027087000000000 ] - [ -0.0000993000000000, -0.0000113900000000, 0.0027087000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031865000000000 ] - [ 0.0005375100000000, -0.0005492600000000, 0.0033565000000000 ] - [ 0.0002069100000000, 0.0007401300000000, 0.0033565000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022454800000000 ] - [ -0.0007444300000000, -0.0001908700000000, 0.0033565000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021825600000000 ] - [ -0.0001207800000000, 0.0000097700000000, -0.0025746300000000 ] - [ 0.0000519300000000, -0.0001094800000000, -0.0025746300000000 ] - [ 0.0000688500000000, 0.0000997100000000, -0.0025746300000000 ] - [ 0.0005979300000000, -0.0004149500000000, -0.0002221200000000 ] - [ 0.0005006200000000, 0.0002078700000000, -0.0000154900000000 ] - [ 0.0018589100000000, -0.0015811200000000, 0.0008622800000000 ] - [ 0.0006542800000000, -0.0001259700000000, 0.0004150200000000 ] - [ -0.0006583200000000, -0.0003103500000000, -0.0002221200000000 ] - [ -0.0022987400000000, -0.0008193000000000, 0.0008622800000000 ] - [ -0.0004362400000000, -0.0005036400000000, 0.0004150200000000 ] - [ -0.0000702900000000, -0.0005374800000000, -0.0000154900000000 ] - [ -0.0002180400000000, 0.0006296100000000, 0.0004150200000000 ] - [ 0.0000603900000000, 0.0007253000000000, -0.0002221200000000 ] - [ 0.0004398300000000, 0.0024004200000000, 0.0008622800000000 ] - [ -0.0004303300000000, 0.0003296100000000, -0.0000154900000000 ] - [ 0.0000807200000000, -0.0003910900000000, 0.0010823200000000 ] - [ -0.0158986300000000, -0.0180707600000000, 0.0350287700000000 ] - [ -0.0007391200000000, 0.0005551100000000, -0.0003825400000000 ] - [ -0.0009175700000000, 0.0002553800000000, -0.0003076500000000 ] - [ 0.0008502900000000, 0.0003625400000000, -0.0003825400000000 ] - [ -0.0003790500000000, 0.0001256300000000, 0.0010823200000000 ] - [ -0.0077004200000000, 0.0228040000000000, 0.0350287700000000 ] - [ 0.0006799500000000, 0.0006669500000000, -0.0003076500000000 ] - [ 0.0235990500000000, -0.0047332400000000, 0.0350287700000000 ] - [ -0.0001111800000000, -0.0009176500000000, -0.0003825400000000 ] - [ 0.0002983300000000, 0.0002654500000000, 0.0010823200000000 ] - [ 0.0002376200000000, -0.0009223300000000, -0.0003076500000000 ] - [ 0.0200979300000000, 0.0111943900000000, 0.0331980200000000 ] - [ 0.0005639800000000, -0.0003895600000000, 0.0006023000000000 ] - [ 0.0005287700000000, 0.0000819000000000, -0.0004335400000000 ] - [ -0.0011856100000000, -0.0007499900000000, 0.0020444000000000 ] - [ -0.0003543400000000, -0.0230025100000000, 0.0331980200000000 ] - [ -0.0001934500000000, -0.0004988800000000, -0.0004335400000000 ] - [ -0.0000567000000000, 0.0014017600000000, 0.0020444000000000 ] - [ -0.0006193600000000, -0.0002936500000000, 0.0006023000000000 ] - [ -0.0197435900000000, 0.0118081200000000, 0.0331980200000000 ] - [ 0.0012423100000000, -0.0006517800000000, 0.0020444000000000 ] - [ 0.0000553700000000, 0.0006832000000000, 0.0006023000000000 ] - [ -0.0003353100000000, 0.0004169800000000, -0.0004335400000000 ] - [ -0.0013876800000000, -0.0001873700000000, -0.0020140200000000 ] - [ 0.0003965500000000, -0.0013454600000000, -0.0003470700000000 ] - [ -0.0014623000000000, -0.0006515600000000, 0.0000746000000000 ] - [ -0.0010039000000000, -0.0001028900000000, 0.0000660100000000 ] - [ 0.0005315700000000, 0.0012954600000000, -0.0020140200000000 ] - [ 0.0001668800000000, 0.0015921700000000, 0.0000746000000000 ] - [ 0.0004128400000000, 0.0009208500000000, 0.0000660100000000 ] - [ -0.0013634800000000, 0.0003293000000000, -0.0003470700000000 ] - [ 0.0005910600000000, -0.0008179600000000, 0.0000660100000000 ] - [ 0.0008561100000000, -0.0011080800000000, -0.0020140200000000 ] - [ 0.0012954200000000, -0.0009406100000000, 0.0000746000000000 ] - [ 0.0009669200000000, 0.0010161500000000, -0.0003470700000000 ] - [ 0.0009919100000000, 0.0000877000000000, 0.0000151500000000 ] - [ 0.0007517000000000, 0.0000434800000000, -0.0001312200000000 ] - [ 0.0009317000000000, 0.0000167400000000, -0.0000404100000000 ] - [ 0.0009764100000000, 0.0000313100000000, -0.0002456500000000 ] - [ -0.0004513500000000, -0.0008152500000000, -0.0000404100000000 ] - [ -0.0004200100000000, -0.0009028700000000, 0.0000151500000000 ] - [ -0.0003381900000000, -0.0006727300000000, -0.0001312200000000 ] - [ -0.0004610900000000, -0.0008612500000000, -0.0002456500000000 ] - [ -0.0004135100000000, 0.0006292500000000, -0.0001312200000000 ] - [ -0.0004803500000000, 0.0007985000000000, -0.0000404100000000 ] - [ -0.0005719000000000, 0.0008151700000000, 0.0000151500000000 ] - [ -0.0005153200000000, 0.0008299400000000, -0.0002456500000000 ] - [ -0.0008417300000000, 0.0000313000000000, -0.0001487700000000 ] - [ -0.0008176000000000, 0.0000620400000000, -0.0000564400000000 ] - [ -0.0008759500000000, 0.0000079800000000, -0.0000353700000000 ] - [ -0.0006561700000000, 0.0001485900000000, -0.0001521100000000 ] - [ 0.0004479700000000, 0.0007133100000000, -0.0001487700000000 ] - [ 0.0004448900000000, 0.0007546000000000, -0.0000353700000000 ] - [ 0.0004567600000000, 0.0004939600000000, -0.0001521100000000 ] - [ 0.0004625300000000, 0.0006770400000000, -0.0000564400000000 ] - [ 0.0003937600000000, -0.0007446100000000, -0.0001487700000000 ] - [ 0.0001994000000000, -0.0006425500000000, -0.0001521100000000 ] - [ 0.0003550700000000, -0.0007390800000000, -0.0000564400000000 ] - [ 0.0004310600000000, -0.0007625800000000, -0.0000353700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.2730267100000000 ] - [ -0.0001151300000000, 0.0000788300000000, -0.0027051700000000 ] - [ -0.0000107000000000, -0.0001391200000000, -0.0027051700000000 ] - [ 0.0001258300000000, 0.0000602900000000, -0.0027051700000000 ] - [ -0.0013332200000000, -0.0012949300000000, -0.0001259200000000 ] - [ 0.0017880500000000, -0.0005071400000000, -0.0001259200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022481300000000 ] - [ -0.0004548300000000, 0.0018020700000000, -0.0001259200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013398900000000 ] - [ 0.0002873600000000, 0.0003907400000000, 0.0024968800000000 ] - [ -0.0004820800000000, 0.0000534900000000, 0.0024968800000000 ] - [ 0.0001947100000000, -0.0004442400000000, 0.0024968800000000 ] - [ -0.0044469200000000, -0.0019744400000000, -0.0041395300000000 ] - [ 0.0005135400000000, 0.0048383600000000, -0.0041395300000000 ] - [ 0.0039333700000000, -0.0028639300000000, -0.0041395300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024293200000000 ] - [ 0.0001364800000000, -0.0002687100000000, -0.0029490600000000 ] - [ -0.0003009500000000, 0.0000161600000000, -0.0029490600000000 ] - [ 0.0001644700000000, 0.0002525500000000, -0.0029490600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019698500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0744345600000000 ] - [ -0.0005037600000000, -0.0007052500000000, 0.0041176800000000 ] - [ 0.0008626400000000, -0.0000836400000000, 0.0041176800000000 ] - [ -0.0003588800000000, 0.0007888900000000, 0.0041176800000000 ] - [ 0.0044374800000000, -0.0000591600000000, 0.0105148800000000 ] - [ -0.0022699700000000, -0.0038133900000000, 0.0105148800000000 ] - [ -0.0021675000000000, 0.0038725500000000, 0.0105148800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0029979000000000 ] - [ 0.0094054000000000, -0.0039018700000000, -0.0041741000000000 ] - [ -0.0013235800000000, 0.0100962500000000, -0.0041741000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024269000000000 ] - [ -0.0080818200000000, -0.0061943800000000, -0.0041741000000000 ] - [ -0.0004235700000000, 0.0002879400000000, -0.0029512500000000 ] - [ -0.0000375800000000, -0.0005107900000000, -0.0029512500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019849700000000 ] - [ 0.0004611500000000, 0.0002228500000000, -0.0029512500000000 ] - [ -0.0000397800000000, -0.0000946200000000, 0.0025336200000000 ] - [ -0.0000620500000000, 0.0000817600000000, 0.0025336200000000 ] - [ 0.0001018400000000, 0.0000128600000000, 0.0025336200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020485800000000 ] - [ -0.0005337100000000, 0.0005570600000000, 0.0018814700000000 ] - [ -0.0002155700000000, -0.0007407300000000, 0.0018814700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0029932400000000 ] - [ 0.0007492800000000, 0.0001836800000000, 0.0018814700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030618700000000 ] - [ 0.0001198400000000, -0.0000101400000000, -0.0026669200000000 ] - [ -0.0000511400000000, 0.0001088600000000, -0.0026669200000000 ] - [ -0.0000687100000000, -0.0000987200000000, -0.0026669200000000 ] - [ 0.0011379600000000, 0.0004189500000000, 0.0002167700000000 ] - [ 0.0012294500000000, -0.0001836300000000, 0.0000002900000000 ] - [ -0.0001110900000000, 0.0016161600000000, -0.0008839900000000 ] - [ 0.0010765500000000, 0.0001266700000000, -0.0004230000000000 ] - [ -0.0002061500000000, -0.0011949800000000, 0.0002167700000000 ] - [ 0.0014551800000000, -0.0007118700000000, -0.0008839900000000 ] - [ -0.0004285800000000, -0.0009956500000000, -0.0004230000000000 ] - [ -0.0007737600000000, -0.0009729200000000, 0.0000002900000000 ] - [ -0.0006479700000000, 0.0008689800000000, -0.0004230000000000 ] - [ -0.0009318000000000, 0.0007760200000000, 0.0002167700000000 ] - [ -0.0013440900000000, -0.0009042900000000, -0.0008839900000000 ] - [ -0.0004556900000000, 0.0011565500000000, 0.0000002900000000 ] - [ -0.0018388500000000, 0.0003890400000000, -0.0011131000000000 ] - [ 0.0146673200000000, 0.0189025300000000, -0.0356732200000000 ] - [ -0.0009847300000000, -0.0005608000000000, 0.0003900900000000 ] - [ -0.0007923300000000, -0.0002545500000000, 0.0002976700000000 ] - [ 0.0000067000000000, 0.0011332000000000, 0.0003900900000000 ] - [ 0.0012563400000000, 0.0013979700000000, -0.0011131000000000 ] - [ 0.0090364200000000, -0.0221535300000000, -0.0356732200000000 ] - [ 0.0001757200000000, 0.0008134600000000, 0.0002976700000000 ] - [ -0.0237037300000000, 0.0032510000000000, -0.0356732200000000 ] - [ 0.0009780300000000, -0.0005724000000000, 0.0003900900000000 ] - [ 0.0005825100000000, -0.0017870100000000, -0.0011131000000000 ] - [ 0.0006166100000000, -0.0005589100000000, 0.0002976700000000 ] - [ -0.0166244700000000, -0.0112061100000000, -0.0314900500000000 ] - [ 0.0011471200000000, 0.0003723100000000, -0.0005967300000000 ] - [ 0.0011777800000000, -0.0000803400000000, 0.0004218800000000 ] - [ 0.0029331300000000, 0.0007126400000000, -0.0020747300000000 ] - [ -0.0013925400000000, 0.0200002700000000, -0.0314900500000000 ] - [ -0.0006584700000000, -0.0009798200000000, 0.0004218800000000 ] - [ -0.0008494000000000, -0.0028964800000000, -0.0020747300000000 ] - [ -0.0002511300000000, -0.0011795900000000, -0.0005967300000000 ] - [ 0.0180170100000000, -0.0087941600000000, -0.0314900500000000 ] - [ -0.0020837200000000, 0.0021838400000000, -0.0020747300000000 ] - [ -0.0008959900000000, 0.0008072800000000, -0.0005967300000000 ] - [ -0.0005193100000000, 0.0010601600000000, 0.0004218800000000 ] - [ -0.0003273700000000, 0.0001796200000000, 0.0019703600000000 ] - [ -0.0021708000000000, 0.0013391300000000, 0.0003646800000000 ] - [ -0.0002607400000000, 0.0006585700000000, -0.0000744700000000 ] - [ -0.0007162100000000, 0.0001024900000000, -0.0000670600000000 ] - [ 0.0003192400000000, 0.0001937000000000, 0.0019703600000000 ] - [ 0.0007007100000000, -0.0001034800000000, -0.0000744700000000 ] - [ 0.0004468700000000, 0.0005690100000000, -0.0000670600000000 ] - [ 0.0022451200000000, 0.0012104000000000, 0.0003646800000000 ] - [ 0.0002693400000000, -0.0006715000000000, -0.0000670600000000 ] - [ 0.0000081300000000, -0.0003733200000000, 0.0019703600000000 ] - [ -0.0004399700000000, -0.0005550900000000, -0.0000744700000000 ] - [ -0.0000743200000000, -0.0025495400000000, 0.0003646800000000 ] - [ 0.0007223100000000, -0.0000855400000000, -0.0000157600000000 ] - [ 0.0009659800000000, -0.0000428500000000, 0.0001290200000000 ] - [ 0.0007843100000000, -0.0000156000000000, 0.0000388100000000 ] - [ 0.0007387300000000, -0.0000303300000000, 0.0002464300000000 ] - [ -0.0004056700000000, -0.0006714300000000, 0.0000388100000000 ] - [ -0.0004352300000000, -0.0005827700000000, -0.0000157600000000 ] - [ -0.0005201000000000, -0.0008151400000000, 0.0001290200000000 ] - [ -0.0003956300000000, -0.0006245900000000, 0.0002464300000000 ] - [ -0.0004458800000000, 0.0008579900000000, 0.0001290200000000 ] - [ -0.0003786400000000, 0.0006870300000000, 0.0000388100000000 ] - [ -0.0002870700000000, 0.0006683100000000, -0.0000157600000000 ] - [ -0.0003431000000000, 0.0006549200000000, 0.0002464300000000 ] - [ -0.0008742300000000, -0.0000323900000000, 0.0001491400000000 ] - [ -0.0008989600000000, -0.0000603100000000, 0.0000542300000000 ] - [ -0.0008415400000000, -0.0000038300000000, 0.0000339400000000 ] - [ -0.0010582500000000, -0.0001467100000000, 0.0001505700000000 ] - [ 0.0004090600000000, 0.0007733000000000, 0.0001491400000000 ] - [ 0.0004174500000000, 0.0007307100000000, 0.0000339400000000 ] - [ 0.0004020700000000, 0.0009898200000000, 0.0001505700000000 ] - [ 0.0003972500000000, 0.0008086800000000, 0.0000542300000000 ] - [ 0.0004651700000000, -0.0007409100000000, 0.0001491400000000 ] - [ 0.0006561800000000, -0.0008431200000000, 0.0001505700000000 ] - [ 0.0005017100000000, -0.0007483600000000, 0.0000542300000000 ] - [ 0.0004240900000000, -0.0007268800000000, 0.0000339400000000 ]- atom: 49 displacement: [ -0.0049999999886599, 0.0086602540443916, 0.0000000000000000 ] forces: - [ 0.0004547300000000, -0.0008200700000000, -0.0028384800000000 ] - [ 0.0010078100000000, 0.0008600800000000, -0.0022749600000000 ] - [ 0.0014087600000000, 0.0023133200000000, -0.0044976900000000 ] - [ -0.0000463000000000, 0.0007794100000000, -0.0026290800000000 ] - [ -0.0236751500000000, 0.0244306900000000, 0.0217045000000000 ] - [ -0.0005180400000000, -0.0002118500000000, 0.0021478700000000 ] - [ -0.0005756200000000, -0.0007493500000000, 0.0009834800000000 ] - [ 0.0005309100000000, 0.0000021100000000, 0.0025232300000000 ] - [ -0.0021261400000000, 0.0490001300000000, -0.0058470400000000 ] - [ 0.0008327400000000, -0.0006602800000000, 0.0017990400000000 ] - [ -0.0000423400000000, 0.0004056200000000, 0.0028627300000000 ] - [ 0.0008805000000000, -0.0007439000000000, 0.0030292300000000 ] - [ -0.0011129400000000, 0.0003927000000000, -0.0020716800000000 ] - [ -0.0001763200000000, 0.0002946500000000, -0.0024246600000000 ] - [ -0.0406210400000000, 0.0581400800000000, -0.0253425800000000 ] - [ -0.0003873500000000, -0.0000392400000000, -0.0024759200000000 ] - [ -0.0000322100000000, -0.0000159500000000, -0.0026399900000000 ] - [ 0.0002597700000000, 0.0000151700000000, -0.0026500400000000 ] - [ -0.0001057800000000, -0.0000203700000000, -0.0026099300000000 ] - [ -0.0000161200000000, -0.0000950200000000, -0.0025270400000000 ] - [ 0.0001629000000000, 0.0000891300000000, 0.0027588200000000 ] - [ 0.0000215400000000, -0.0001237200000000, 0.0026015500000000 ] - [ -0.0001080200000000, 0.0000388900000000, 0.0027009100000000 ] - [ -0.0001339100000000, 0.0000161600000000, 0.0026695100000000 ] - [ -0.0000163600000000, -0.0001632800000000, 0.0023515100000000 ] - [ 0.0000651400000000, 0.0000680800000000, 0.0026037800000000 ] - [ 0.0006977400000000, 0.0020644400000000, 0.0027094700000000 ] - [ -0.0009051900000000, 0.0012661100000000, 0.0008136000000000 ] - [ -0.0000166200000000, -0.0001038700000000, -0.0025836700000000 ] - [ 0.0000896100000000, 0.0000260400000000, -0.0025458100000000 ] - [ 0.0002058200000000, 0.0000550500000000, -0.0023914900000000 ] - [ -0.0003971800000000, -0.0004157900000000, -0.0026253600000000 ] - [ -0.0195773500000000, 0.0260031600000000, -0.0022588500000000 ] - [ 0.0003421900000000, 0.0001855200000000, -0.0028062000000000 ] - [ -0.0003565800000000, 0.0003691200000000, -0.0023877300000000 ] - [ 0.0000824500000000, -0.0009885000000000, -0.0022252700000000 ] - [ -0.0001584200000000, 0.0001513400000000, 0.0024035300000000 ] - [ -0.0013909100000000, 0.0015118400000000, 0.0017332700000000 ] - [ 0.0006157100000000, -0.0008854200000000, 0.0021253800000000 ] - [ -0.0027061100000000, 0.0013339400000000, 0.0026163000000000 ] - [ 0.0001377700000000, -0.0000563300000000, 0.0026376300000000 ] - [ 0.0000175200000000, -0.0001348700000000, 0.0026508500000000 ] - [ -0.0001526300000000, -0.0002691500000000, 0.0026336100000000 ] - [ -0.0004672300000000, 0.0002798800000000, 0.0026465900000000 ] - [ -0.0004562400000000, -0.0001135100000000, -0.0030402400000000 ] - [ -0.0006581700000000, -0.0004354600000000, -0.0031403400000000 ] - [ 0.0000794200000000, 0.0000830300000000, -0.0027824800000000 ] - [ -0.0005539400000000, -0.0003101600000000, -0.0034930300000000 ] - [ 0.0891612400000000, -0.1418619300000000, 0.0258351200000000 ] - [ 0.0010085200000000, -0.0001316500000000, 0.0001299100000000 ] - [ 0.0008115400000000, -0.0000260100000000, 0.0000469100000000 ] - [ 0.0007745300000000, -0.0000036000000000, 0.0001437800000000 ] - [ 0.0010856900000000, 0.0000310700000000, -0.0018840900000000 ] - [ -0.0005415200000000, -0.0005599000000000, 0.0004483500000000 ] - [ -0.0002480100000000, -0.0007583000000000, 0.0003226700000000 ] - [ 0.0008395700000000, -0.0016089000000000, 0.0000647200000000 ] - [ -0.0087493700000000, 0.0040459000000000, -0.0008372000000000 ] - [ -0.0007378200000000, -0.0007867200000000, 0.0022895800000000 ] - [ -0.0007346400000000, 0.0006988600000000, -0.0008075400000000 ] - [ -0.0003128500000000, 0.0008061900000000, -0.0002479500000000 ] - [ -0.0002982200000000, 0.0002534100000000, 0.0000372100000000 ] - [ -0.0009267800000000, 0.0000754700000000, 0.0000618900000000 ] - [ 0.0021363800000000, 0.0006000700000000, -0.0035880100000000 ] - [ -0.0007424200000000, -0.0002507500000000, 0.0001035900000000 ] - [ 0.0004537400000000, 0.0004369600000000, -0.0000607700000000 ] - [ 0.0004492300000000, 0.0006068700000000, -0.0000955300000000 ] - [ 0.0004709800000000, 0.0005148700000000, -0.0000492400000000 ] - [ 0.0010007200000000, -0.0087061700000000, 0.0033662300000000 ] - [ -0.0015111700000000, 0.0003337000000000, 0.0018622900000000 ] - [ 0.0004736400000000, -0.0007936200000000, 0.0000148700000000 ] - [ -0.0018080800000000, -0.0001756900000000, -0.0027531000000000 ] - [ 0.0002422600000000, -0.0006622800000000, -0.0000282100000000 ] - [ 0.0007472400000000, 0.0001537300000000, -0.0001177400000000 ] - [ 0.0008030300000000, 0.0001230200000000, -0.0000829300000000 ] - [ -0.0000445000000000, -0.0012505000000000, 0.0010392700000000 ] - [ 0.0006618600000000, -0.0000875200000000, -0.0001409000000000 ] - [ -0.0003580300000000, -0.0014599900000000, -0.0001369300000000 ] - [ -0.0004496100000000, -0.0009204500000000, 0.0000249700000000 ] - [ -0.0005849500000000, -0.0011351900000000, 0.0000594300000000 ] - [ -0.0004646300000000, -0.0009321700000000, 0.0000360100000000 ] - [ -0.0004229200000000, 0.0007942100000000, 0.0000741000000000 ] - [ -0.0005729300000000, 0.0004164400000000, -0.0003052200000000 ] - [ -0.0006587700000000, 0.0008770400000000, 0.0003316400000000 ] - [ -0.0004217800000000, 0.0009342100000000, -0.0001908100000000 ] - [ -0.0008860500000000, 0.0000142100000000, -0.0000142400000000 ] - [ -0.0008642500000000, 0.0000592600000000, -0.0000198800000000 ] - [ -0.0008193400000000, 0.0000230400000000, -0.0000508200000000 ] - [ -0.0007821900000000, 0.0000003600000000, -0.0000603700000000 ] - [ 0.0004316600000000, 0.0008415800000000, -0.0000100600000000 ] - [ 0.0004029000000000, 0.0007251800000000, -0.0000119700000000 ] - [ 0.0004169700000000, 0.0008485900000000, -0.0000511100000000 ] - [ 0.0004750900000000, 0.0007671700000000, -0.0000436600000000 ] - [ 0.0004146300000000, -0.0007043200000000, 0.0000014000000000 ] - [ 0.0006376300000000, -0.0008534800000000, -0.0001154400000000 ] - [ 0.0004228100000000, -0.0007411500000000, -0.0000304700000000 ] - [ 0.0004150000000000, -0.0007873300000000, -0.0000787200000000 ] - [ 0.0009864100000000, 0.0000993200000000, -0.0000146700000000 ] - [ 0.0019698100000000, -0.0000781100000000, -0.0001091400000000 ] - [ 0.0008791300000000, 0.0001665800000000, -0.0000157600000000 ] - [ 0.0008243100000000, 0.0001991600000000, 0.0000243900000000 ] - [ -0.0004745000000000, -0.0008124900000000, 0.0001644700000000 ] - [ -0.0004276000000000, -0.0006775200000000, 0.0002977200000000 ] - [ -0.0005974600000000, -0.0008871000000000, 0.0000094400000000 ] - [ -0.0000759100000000, -0.0016699100000000, -0.0004825100000000 ] - [ -0.0003066000000000, 0.0006953700000000, 0.0000633000000000 ] - [ -0.0000930900000000, 0.0007303800000000, 0.0002565100000000 ] - [ -0.0004813300000000, 0.0006927100000000, -0.0000083400000000 ] - [ -0.0003076700000000, 0.0007122500000000, 0.0001458600000000 ] - [ -0.0015552600000000, 0.0027396100000000, -0.0034634500000000 ] - [ -0.0008014000000000, -0.0002117700000000, 0.0000821300000000 ] - [ -0.0008358500000000, 0.0000211200000000, 0.0000355400000000 ] - [ -0.0006913300000000, 0.0004757400000000, 0.0001021600000000 ] - [ 0.0083017200000000, -0.0044682300000000, -0.0005813400000000 ] - [ 0.0006190000000000, 0.0005347400000000, -0.0000462800000000 ] - [ 0.0005441000000000, 0.0006627200000000, 0.0000182200000000 ] - [ 0.0040485000000000, 0.0025511800000000, 0.0028782600000000 ] - [ -0.0015188200000000, -0.0038020200000000, 0.0012003300000000 ] - [ -0.0019216800000000, -0.0085192300000000, -0.0057472300000000 ] - [ 0.0004740100000000, -0.0009009200000000, -0.0000635000000000 ] - [ 0.0002426300000000, -0.0008569500000000, 0.0001759900000000 ]- atom: 49 displacement: [ 0.0049999999886599, -0.0086602540443916, 0.0000000000000000 ] forces: - [ -0.0004603000000000, 0.0008429900000000, -0.0023853700000000 ] - [ -0.0009848300000000, -0.0008681500000000, -0.0029800100000000 ] - [ -0.0014698000000000, -0.0023421800000000, -0.0007417300000000 ] - [ 0.0000441700000000, -0.0007671000000000, -0.0026193300000000 ] - [ 0.0231445500000000, -0.0243217700000000, -0.0160477300000000 ] - [ 0.0005294400000000, 0.0002224000000000, 0.0030996100000000 ] - [ 0.0006154800000000, 0.0007964800000000, 0.0043090800000000 ] - [ -0.0005334900000000, -0.0000091900000000, 0.0027063500000000 ] - [ 0.0025506900000000, -0.0484639900000000, 0.0108909900000000 ] - [ -0.0008409800000000, 0.0006487400000000, 0.0034342000000000 ] - [ 0.0000433200000000, -0.0004129500000000, 0.0023573700000000 ] - [ -0.0009100100000000, 0.0007673200000000, 0.0021851000000000 ] - [ 0.0010947400000000, -0.0004103800000000, -0.0031603900000000 ] - [ 0.0001805800000000, -0.0002971500000000, -0.0028028800000000 ] - [ 0.0427677400000000, -0.0610883400000000, 0.0219937500000000 ] - [ 0.0003942700000000, 0.0000300100000000, -0.0027585600000000 ] - [ 0.0000364200000000, 0.0000178400000000, -0.0025946000000000 ] - [ -0.0002589500000000, -0.0000133400000000, -0.0025841200000000 ] - [ 0.0001059900000000, 0.0000174100000000, -0.0026240600000000 ] - [ 0.0000171100000000, 0.0000935000000000, -0.0027082800000000 ] - [ -0.0001647800000000, -0.0000872500000000, 0.0024737800000000 ] - [ -0.0000221300000000, 0.0001243200000000, 0.0026352900000000 ] - [ 0.0001120600000000, -0.0000435800000000, 0.0025278700000000 ] - [ 0.0001343100000000, -0.0000156800000000, 0.0025668700000000 ] - [ 0.0000233500000000, 0.0001656000000000, 0.0028857400000000 ] - [ -0.0000674100000000, -0.0000688900000000, 0.0026364500000000 ] - [ -0.0007023300000000, -0.0021188500000000, 0.0024957500000000 ] - [ 0.0008993100000000, -0.0012531300000000, 0.0044212900000000 ] - [ 0.0000177700000000, 0.0001010600000000, -0.0026548800000000 ] - [ -0.0000907200000000, -0.0000270300000000, -0.0026917500000000 ] - [ -0.0002019900000000, -0.0000526300000000, -0.0028474900000000 ] - [ 0.0003922300000000, 0.0004173200000000, -0.0026176500000000 ] - [ 0.0190921000000000, -0.0256647700000000, -0.0033077500000000 ] - [ -0.0003560800000000, -0.0001676500000000, -0.0024366900000000 ] - [ 0.0003634100000000, -0.0003758100000000, -0.0028522400000000 ] - [ -0.0000684700000000, 0.0009791000000000, -0.0030198100000000 ] - [ 0.0001596800000000, -0.0001488200000000, 0.0028346400000000 ] - [ 0.0013740900000000, -0.0015085300000000, 0.0035173600000000 ] - [ -0.0006116500000000, 0.0008857800000000, 0.0031175800000000 ] - [ 0.0026887500000000, -0.0013094600000000, 0.0026414500000000 ] - [ -0.0001395200000000, 0.0000547300000000, 0.0025987600000000 ] - [ -0.0000183000000000, 0.0001340300000000, 0.0025853900000000 ] - [ 0.0001489200000000, 0.0002698300000000, 0.0026064200000000 ] - [ 0.0004614200000000, -0.0002776800000000, 0.0025926500000000 ] - [ 0.0004454500000000, 0.0001061700000000, -0.0021924100000000 ] - [ 0.0006596600000000, 0.0004288400000000, -0.0020976300000000 ] - [ -0.0000807000000000, -0.0000838700000000, -0.0024593800000000 ] - [ 0.0005402700000000, 0.0003078200000000, -0.0017574300000000 ] - [ -0.0887250200000000, 0.1439865600000000, -0.0277189900000000 ] - [ 0.0007097400000000, 0.0001313200000000, -0.0001328300000000 ] - [ 0.0009117900000000, 0.0000238000000000, -0.0000492000000000 ] - [ 0.0009504000000000, 0.0000052800000000, -0.0001413000000000 ] - [ -0.0018982500000000, -0.0014764700000000, 0.0018705800000000 ] - [ -0.0003241900000000, -0.0009428600000000, -0.0004596900000000 ] - [ -0.0006165400000000, -0.0007559200000000, -0.0003124100000000 ] - [ -0.0016718900000000, 0.0001066700000000, -0.0000724400000000 ] - [ 0.0075988500000000, -0.0024926100000000, 0.0008526400000000 ] - [ -0.0001261700000000, 0.0023066300000000, -0.0022950900000000 ] - [ -0.0001234100000000, 0.0007707000000000, 0.0008070500000000 ] - [ -0.0005491600000000, 0.0006916600000000, 0.0002512700000000 ] - [ -0.0014272300000000, -0.0002477000000000, -0.0000392800000000 ] - [ -0.0007846500000000, -0.0000737700000000, -0.0000658000000000 ] - [ -0.0038843600000000, -0.0005870400000000, 0.0036282000000000 ] - [ -0.0009731200000000, 0.0002524600000000, -0.0001098400000000 ] - [ 0.0004025500000000, 0.0010504400000000, 0.0000578000000000 ] - [ 0.0004095700000000, 0.0008776100000000, 0.0000919700000000 ] - [ 0.0003733200000000, 0.0010205700000000, 0.0000235800000000 ] - [ -0.0001785500000000, 0.0101149800000000, -0.0033352900000000 ] - [ 0.0023630300000000, -0.0017904100000000, -0.0018071700000000 ] - [ 0.0003809100000000, -0.0006934700000000, -0.0000192300000000 ] - [ 0.0028019300000000, -0.0014796600000000, 0.0030019100000000 ] - [ 0.0006152800000000, -0.0008188100000000, 0.0000267400000000 ] - [ 0.0009677700000000, -0.0001555600000000, 0.0001189000000000 ] - [ 0.0009123900000000, -0.0001223800000000, 0.0000854300000000 ] - [ 0.0017676400000000, 0.0012363900000000, -0.0010092500000000 ] - [ 0.0010545900000000, 0.0000898600000000, 0.0001482600000000 ] - [ -0.0005021200000000, -0.0000170900000000, 0.0001413600000000 ] - [ -0.0004109500000000, -0.0005614700000000, -0.0000182400000000 ] - [ -0.0002713300000000, -0.0003497400000000, -0.0000551100000000 ] - [ -0.0003932500000000, -0.0005536200000000, -0.0000334100000000 ] - [ -0.0004363200000000, 0.0006960000000000, -0.0000679900000000 ] - [ -0.0002882400000000, 0.0010663800000000, 0.0003086100000000 ] - [ -0.0001969000000000, 0.0006108900000000, -0.0003313700000000 ] - [ -0.0004355000000000, 0.0005529700000000, 0.0001942900000000 ] - [ -0.0008364300000000, -0.0000145000000000, 0.0000146200000000 ] - [ -0.0008588100000000, -0.0000602400000000, 0.0000209100000000 ] - [ -0.0009035200000000, -0.0000230100000000, 0.0000508900000000 ] - [ -0.0009419300000000, -0.0000020600000000, 0.0000615500000000 ] - [ 0.0004308000000000, 0.0006531200000000, 0.0000100000000000 ] - [ 0.0004592900000000, 0.0007679900000000, 0.0000114300000000 ] - [ 0.0004410800000000, 0.0006451000000000, 0.0000520300000000 ] - [ 0.0003868900000000, 0.0007263800000000, 0.0000444300000000 ] - [ 0.0004469000000000, -0.0007880000000000, -0.0000025600000000 ] - [ 0.0002267700000000, -0.0006428700000000, 0.0001142500000000 ] - [ 0.0004380200000000, -0.0007500900000000, 0.0000298700000000 ] - [ 0.0004472200000000, -0.0007042400000000, 0.0000785700000000 ] - [ 0.0007284300000000, -0.0000987700000000, 0.0000128900000000 ] - [ -0.0002477200000000, 0.0000822400000000, 0.0000951800000000 ] - [ 0.0008366200000000, -0.0001659100000000, 0.0000122300000000 ] - [ 0.0008925800000000, -0.0001974300000000, -0.0000291500000000 ] - [ -0.0003821800000000, -0.0006741900000000, -0.0001696600000000 ] - [ -0.0004282600000000, -0.0008089800000000, -0.0003000300000000 ] - [ -0.0002604300000000, -0.0006073400000000, -0.0000198600000000 ] - [ -0.0007806500000000, 0.0001712300000000, 0.0004682000000000 ] - [ -0.0005505700000000, 0.0007911900000000, -0.0000646500000000 ] - [ -0.0007609500000000, 0.0007541900000000, -0.0002575400000000 ] - [ -0.0003750500000000, 0.0007972400000000, 0.0000070000000000 ] - [ -0.0005514200000000, 0.0007704700000000, -0.0001494800000000 ] - [ -0.0001641300000000, -0.0027262900000000, 0.0034133200000000 ] - [ -0.0009008200000000, 0.0002170000000000, -0.0000778000000000 ] - [ -0.0008790000000000, -0.0000210400000000, -0.0000295500000000 ] - [ -0.0010264800000000, -0.0004835100000000, -0.0001018100000000 ] - [ -0.0073779900000000, 0.0059812400000000, 0.0004664200000000 ] - [ 0.0002347000000000, 0.0009542900000000, 0.0000520400000000 ] - [ 0.0003132400000000, 0.0008238500000000, -0.0000161500000000 ] - [ -0.0031514200000000, -0.0010453100000000, -0.0028536900000000 ] - [ 0.0023545700000000, 0.0022755600000000, -0.0012071200000000 ] - [ 0.0026859900000000, 0.0069269900000000, 0.0056600600000000 ] - [ 0.0003812400000000, -0.0005810700000000, 0.0000678700000000 ] - [ 0.0006159500000000, -0.0006289700000000, -0.0001709500000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001791000000000, 0.0002431300000000, -0.0028484800000000 ] - [ -0.0012789900000000, -0.0003577600000000, -0.0026389000000000 ] - [ -0.0012021500000000, -0.0021445400000000, -0.0017560700000000 ] - [ -0.0002953300000000, -0.0000198200000000, -0.0021989300000000 ] - [ -0.0272372200000000, 0.0065393300000000, 0.0357151900000000 ] - [ 0.0001375000000000, 0.0002178000000000, 0.0032194500000000 ] - [ 0.0004383700000000, -0.0002654500000000, 0.0046860500000000 ] - [ -0.0000498900000000, -0.0005054400000000, 0.0021956100000000 ] - [ -0.0157206300000000, -0.0083566000000000, 0.0375742400000000 ] - [ -0.0006788800000000, 0.0011232600000000, 0.0036972500000000 ] - [ -0.0002252400000000, -0.0007546900000000, 0.0023096100000000 ] - [ 0.0005033100000000, 0.0004662500000000, 0.0022273100000000 ] - [ -0.0004958300000000, 0.0004675400000000, -0.0030007000000000 ] - [ 0.0002178600000000, -0.0007429500000000, -0.0029140100000000 ] - [ 0.0158887200000000, -0.0090350400000000, 0.0331289600000000 ] - [ 0.0006791900000000, 0.0011559200000000, -0.0015027700000000 ] - [ 0.0000707900000000, 0.0001173900000000, -0.0026567800000000 ] - [ -0.0003927000000000, -0.0002158400000000, -0.0028644500000000 ] - [ 0.0000825400000000, -0.0000724200000000, -0.0026015800000000 ] - [ 0.0000079500000000, 0.0000125100000000, -0.0027467800000000 ] - [ -0.0000823600000000, -0.0000730300000000, 0.0026323000000000 ] - [ -0.0000073100000000, 0.0000115200000000, 0.0024877900000000 ] - [ 0.0003945800000000, -0.0002102900000000, 0.0023723400000000 ] - [ -0.0000704700000000, 0.0001189900000000, 0.0025783800000000 ] - [ -0.0001861400000000, 0.0002607000000000, 0.0026925400000000 ] - [ 0.0001410900000000, -0.0000425900000000, 0.0026849400000000 ] - [ 0.0012502300000000, -0.0006678300000000, 0.0006114900000000 ] - [ -0.0006798900000000, 0.0002019100000000, 0.0022670700000000 ] - [ -0.0000172700000000, -0.0000136300000000, -0.0027684400000000 ] - [ 0.0000268800000000, 0.0000452200000000, -0.0026722600000000 ] - [ -0.0001932200000000, -0.0002456400000000, -0.0027692500000000 ] - [ -0.0000110100000000, 0.0002971000000000, -0.0026548000000000 ] - [ 0.0259500700000000, 0.0068947200000000, 0.0289740200000000 ] - [ -0.0001300700000000, 0.0002040400000000, -0.0020204000000000 ] - [ 0.0000515500000000, -0.0005065200000000, -0.0030510500000000 ] - [ -0.0004308900000000, -0.0002746600000000, -0.0005678000000000 ] - [ 0.0002943300000000, -0.0000053900000000, 0.0030379100000000 ] - [ 0.0011689600000000, -0.0021346300000000, 0.0035035700000000 ] - [ 0.0001841800000000, 0.0002357200000000, 0.0024104700000000 ] - [ 0.0012606200000000, -0.0003223200000000, 0.0026233400000000 ] - [ 0.0000183900000000, -0.0000153700000000, 0.0024711400000000 ] - [ -0.0000277300000000, 0.0000429700000000, 0.0025616600000000 ] - [ 0.0000133700000000, 0.0002902400000000, 0.0025852000000000 ] - [ 0.0001883700000000, -0.0002441700000000, 0.0024673100000000 ] - [ -0.0012242300000000, -0.0006798000000000, -0.0045958200000000 ] - [ 0.0006893500000000, 0.0002079200000000, -0.0029786800000000 ] - [ -0.0001396300000000, -0.0000408100000000, -0.0025511900000000 ] - [ 0.0001908600000000, 0.0002621700000000, -0.0025436300000000 ] - [ 0.0019232900000000, 0.0309073700000000, -0.1434862200000000 ] - [ 0.0008606200000000, 0.0001514200000000, -0.0000517700000000 ] - [ 0.0009571400000000, 0.0001096000000000, 0.0000390300000000 ] - [ 0.0007686100000000, 0.0001121600000000, 0.0000402400000000 ] - [ 0.0018388700000000, 0.0001960000000000, -0.0015479900000000 ] - [ -0.0006803800000000, -0.0014106600000000, -0.0009136900000000 ] - [ -0.0012419900000000, 0.0009825900000000, -0.0015723000000000 ] - [ -0.0012098500000000, -0.0013184400000000, 0.0004435400000000 ] - [ 0.0004812700000000, 0.0001841100000000, 0.0004220600000000 ] - [ 0.0003733800000000, 0.0024196300000000, -0.0015376900000000 ] - [ -0.0027447800000000, 0.0017164800000000, -0.0015615800000000 ] - [ -0.0001822700000000, 0.0000753000000000, -0.0009211200000000 ] - [ -0.0008002500000000, 0.0000789800000000, -0.0005265500000000 ] - [ -0.0008891400000000, 0.0000552000000000, 0.0001476200000000 ] - [ -0.0006982100000000, -0.0041006300000000, 0.0047915600000000 ] - [ -0.0008870500000000, 0.0001050100000000, -0.0000630200000000 ] - [ 0.0004028800000000, 0.0007822800000000, 0.0001629000000000 ] - [ 0.0004467300000000, 0.0007298700000000, 0.0000323700000000 ] - [ 0.0023033700000000, -0.0015276700000000, 0.0021802100000000 ] - [ -0.0025681300000000, -0.0002789000000000, -0.0011713500000000 ] - [ -0.0007890600000000, 0.0000078000000000, 0.0021621800000000 ] - [ 0.0004957200000000, -0.0006738000000000, 0.0000359000000000 ] - [ 0.0062235300000000, -0.0079742600000000, -0.0011290800000000 ] - [ 0.0002539500000000, -0.0005767200000000, 0.0001615300000000 ] - [ 0.0007477700000000, -0.0000337600000000, 0.0000053200000000 ] - [ 0.0007526800000000, -0.0000779700000000, 0.0000055400000000 ] - [ 0.0019920000000000, 0.0005336000000000, 0.0001928300000000 ] - [ 0.0007259000000000, -0.0000929000000000, -0.0000155500000000 ] - [ -0.0004384100000000, -0.0005910500000000, 0.0003972000000000 ] - [ -0.0003658900000000, -0.0007464200000000, -0.0001096700000000 ] - [ -0.0001722900000000, -0.0006628600000000, -0.0001245500000000 ] - [ -0.0002826500000000, -0.0006810600000000, -0.0001095300000000 ] - [ -0.0002360500000000, 0.0004374200000000, -0.0001264000000000 ] - [ -0.0001208100000000, 0.0011225200000000, 0.0000978400000000 ] - [ -0.0007620700000000, 0.0005898800000000, -0.0001123300000000 ] - [ -0.0004999000000000, 0.0007670900000000, -0.0001259200000000 ] - [ -0.0008619600000000, -0.0000171400000000, 0.0000256600000000 ] - [ -0.0008623300000000, -0.0000239000000000, -0.0000168400000000 ] - [ -0.0008718700000000, -0.0000653300000000, 0.0001688700000000 ] - [ -0.0008514000000000, -0.0000645600000000, 0.0001679400000000 ] - [ 0.0004008700000000, 0.0007417700000000, 0.0000397300000000 ] - [ 0.0004330300000000, 0.0008003000000000, -0.0000186600000000 ] - [ 0.0003175900000000, 0.0007421600000000, 0.0000923700000000 ] - [ 0.0003526700000000, 0.0007151200000000, -0.0000184700000000 ] - [ 0.0005093200000000, -0.0007779900000000, -0.0000194900000000 ] - [ 0.0005471900000000, -0.0007546800000000, 0.0000926600000000 ] - [ 0.0004610500000000, -0.0007534600000000, 0.0000392300000000 ] - [ 0.0004289100000000, -0.0006954400000000, -0.0000193600000000 ] - [ 0.0009877200000000, -0.0000905900000000, -0.0000181400000000 ] - [ -0.0002608700000000, 0.0005317900000000, 0.0001797000000000 ] - [ 0.0009702700000000, -0.0000328800000000, 0.0000017400000000 ] - [ 0.0009628200000000, -0.0000754600000000, 0.0000015000000000 ] - [ -0.0003569400000000, -0.0007194500000000, -0.0001301300000000 ] - [ -0.0000994500000000, -0.0008979900000000, -0.0001189900000000 ] - [ -0.0006209100000000, -0.0010470600000000, -0.0001300500000000 ] - [ -0.0007345300000000, -0.0003792700000000, 0.0000842000000000 ] - [ -0.0005774600000000, 0.0008019400000000, -0.0001128500000000 ] - [ -0.0006847200000000, 0.0008269700000000, -0.0001263400000000 ] - [ -0.0004221300000000, 0.0009045600000000, 0.0003930200000000 ] - [ -0.0004928700000000, 0.0007386000000000, -0.0001130600000000 ] - [ -0.0010380700000000, -0.0040368400000000, 0.0047115500000000 ] - [ -0.0008347000000000, 0.0001112600000000, -0.0000538400000000 ] - [ -0.0008270700000000, 0.0000551700000000, 0.0001474000000000 ] - [ -0.0009278200000000, 0.0000834400000000, -0.0005223300000000 ] - [ -0.0051846500000000, -0.0063530900000000, -0.0011635200000000 ] - [ 0.0006008700000000, 0.0009157900000000, 0.0001675500000000 ] - [ 0.0003633200000000, 0.0008150800000000, 0.0000343300000000 ] - [ 0.0016176800000000, 0.0014674000000000, 0.0021242700000000 ] - [ -0.0013684200000000, -0.0029717300000000, 0.0021056700000000 ] - [ 0.0031849600000000, -0.0018313700000000, -0.0011214400000000 ] - [ 0.0004108500000000, -0.0007489700000000, 0.0000369400000000 ] - [ 0.0004576400000000, -0.0007004800000000, 0.0001652900000000 ]