# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/e9f8930f-990f-4521-b977-b63b0130dce3/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 CsTmZnSe3 / Cmcm (63) / materials id 505713](https://mdr.nims.go.jp/datasets/6b7aeae8-becc-4885-b852-a9083a37b78f) ## 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: "Cmcm" number: 63 Hall_symbol: "-C 2c 2"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 3, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 2.032187500000000, -7.902479535000000, 0.000000000000000 ] # a - [ 2.032187500000000, 7.902479535000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.691312829999999 ] # c points: - symbol: Tm # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 168.934210 - symbol: Tm # 2 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 168.934210 - symbol: Cs # 3 coordinates: [ 0.255956640000000, 0.744043360000000, 0.750000000000000 ] mass: 132.905452 - symbol: Cs # 4 coordinates: [ 0.744043360000000, 0.255956640000000, 0.250000000000000 ] mass: 132.905452 - symbol: Se # 5 coordinates: [ 0.617205870000000, 0.382794130000000, 0.943584460000000 ] mass: 78.960000 - symbol: Se # 6 coordinates: [ 0.382794130000000, 0.617205870000000, 0.056415540000000 ] mass: 78.960000 - symbol: Se # 7 coordinates: [ 0.382794130000000, 0.617205870000000, 0.443584460000000 ] mass: 78.960000 - symbol: Se # 8 coordinates: [ 0.617205870000000, 0.382794130000000, 0.556415540000000 ] mass: 78.960000 - symbol: Se # 9 coordinates: [ 0.942903010000000, 0.057096990000000, 0.750000000000000 ] mass: 78.960000 - symbol: Se # 10 coordinates: [ 0.057096990000000, 0.942903010000000, 0.250000000000000 ] mass: 78.960000 - symbol: Zn # 11 coordinates: [ 0.537545470000000, 0.462454530000000, 0.750000000000000 ] mass: 65.380000 - symbol: Zn # 12 coordinates: [ 0.462454530000000, 0.537545470000000, 0.250000000000000 ] mass: 65.380000 reciprocal_lattice: # without 2pi - [ 0.246040289097340, -0.063271280588011, 0.000000000000000 ] # a* - [ 0.246040289097340, 0.063271280588011, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.093533882685949 ] # c*unit_cell: lattice: - [ 4.064375000000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 15.804959070000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.691312829999999 ] # c points: - symbol: Tm # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 168.934210 reduced_to: 1 - symbol: Tm # 2 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 168.934210 reduced_to: 2 - symbol: Tm # 3 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 168.934210 reduced_to: 1 - symbol: Tm # 4 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 168.934210 reduced_to: 2 - symbol: Cs # 5 coordinates: [ 0.500000000000000, 0.244043360000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 5 - symbol: Cs # 6 coordinates: [ 0.000000000000000, 0.255956640000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 6 - symbol: Cs # 7 coordinates: [ 0.000000000000000, 0.744043360000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 5 - symbol: Cs # 8 coordinates: [ 0.500000000000000, 0.755956640000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 6 - symbol: Se # 9 coordinates: [ 0.000000000000000, 0.382794130000000, 0.943584460000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 10 coordinates: [ 0.500000000000000, 0.117205870000000, 0.056415540000000 ] mass: 78.960000 reduced_to: 10 - symbol: Se # 11 coordinates: [ 0.500000000000000, 0.117205870000000, 0.443584460000000 ] mass: 78.960000 reduced_to: 11 - symbol: Se # 12 coordinates: [ 0.000000000000000, 0.382794130000000, 0.556415540000000 ] mass: 78.960000 reduced_to: 12 - symbol: Se # 13 coordinates: [ 0.000000000000000, 0.057096990000000, 0.750000000000000 ] mass: 78.960000 reduced_to: 13 - symbol: Se # 14 coordinates: [ 0.500000000000000, 0.442903010000000, 0.250000000000000 ] mass: 78.960000 reduced_to: 14 - symbol: Se # 15 coordinates: [ 0.500000000000000, 0.882794130000000, 0.943584460000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 16 coordinates: [ 0.000000000000000, 0.617205870000000, 0.056415540000000 ] mass: 78.960000 reduced_to: 10 - symbol: Se # 17 coordinates: [ 0.000000000000000, 0.617205870000000, 0.443584460000000 ] mass: 78.960000 reduced_to: 11 - symbol: Se # 18 coordinates: [ 0.500000000000000, 0.882794130000000, 0.556415540000000 ] mass: 78.960000 reduced_to: 12 - symbol: Se # 19 coordinates: [ 0.500000000000000, 0.557096990000000, 0.750000000000000 ] mass: 78.960000 reduced_to: 13 - symbol: Se # 20 coordinates: [ 0.000000000000000, 0.942903010000000, 0.250000000000000 ] mass: 78.960000 reduced_to: 14 - symbol: Zn # 21 coordinates: [ 0.000000000000000, 0.462454530000000, 0.750000000000000 ] mass: 65.380000 reduced_to: 21 - symbol: Zn # 22 coordinates: [ 0.500000000000000, 0.037545470000000, 0.250000000000000 ] mass: 65.380000 reduced_to: 22 - symbol: Zn # 23 coordinates: [ 0.500000000000000, 0.962454530000000, 0.750000000000000 ] mass: 65.380000 reduced_to: 21 - symbol: Zn # 24 coordinates: [ 0.000000000000000, 0.537545470000000, 0.250000000000000 ] mass: 65.380000 reduced_to: 22supercell: lattice: - [ 12.193125000000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 15.804959070000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 21.382625659999999 ] # c points: - symbol: Tm # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 168.934210 reduced_to: 1 - symbol: Tm # 2 coordinates: [ 0.333333333333333, 0.000000000000000, 0.000000000000000 ] mass: 168.934210 reduced_to: 1 - symbol: Tm # 3 coordinates: [ 0.666666666666667, 0.000000000000000, 0.000000000000000 ] mass: 168.934210 reduced_to: 1 - symbol: Tm # 4 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 168.934210 reduced_to: 1 - symbol: Tm # 5 coordinates: [ 0.333333333333333, 0.000000000000000, 0.500000000000000 ] mass: 168.934210 reduced_to: 1 - symbol: Tm # 6 coordinates: [ 0.666666666666667, 0.000000000000000, 0.500000000000000 ] mass: 168.934210 reduced_to: 1 - symbol: Tm # 7 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 168.934210 reduced_to: 7 - symbol: Tm # 8 coordinates: [ 0.333333333333333, 0.000000000000000, 0.250000000000000 ] mass: 168.934210 reduced_to: 7 - symbol: Tm # 9 coordinates: [ 0.666666666666667, 0.000000000000000, 0.250000000000000 ] mass: 168.934210 reduced_to: 7 - symbol: Tm # 10 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 168.934210 reduced_to: 7 - symbol: Tm # 11 coordinates: [ 0.333333333333333, 0.000000000000000, 0.750000000000000 ] mass: 168.934210 reduced_to: 7 - symbol: Tm # 12 coordinates: [ 0.666666666666667, 0.000000000000000, 0.750000000000000 ] mass: 168.934210 reduced_to: 7 - symbol: Tm # 13 coordinates: [ 0.166666666666667, 0.500000000000000, 0.000000000000000 ] mass: 168.934210 reduced_to: 1 - symbol: Tm # 14 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 168.934210 reduced_to: 1 - symbol: Tm # 15 coordinates: [ 0.833333333333333, 0.500000000000000, 0.000000000000000 ] mass: 168.934210 reduced_to: 1 - symbol: Tm # 16 coordinates: [ 0.166666666666667, 0.500000000000000, 0.500000000000000 ] mass: 168.934210 reduced_to: 1 - symbol: Tm # 17 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 168.934210 reduced_to: 1 - symbol: Tm # 18 coordinates: [ 0.833333333333333, 0.500000000000000, 0.500000000000000 ] mass: 168.934210 reduced_to: 1 - symbol: Tm # 19 coordinates: [ 0.166666666666667, 0.500000000000000, 0.250000000000000 ] mass: 168.934210 reduced_to: 7 - symbol: Tm # 20 coordinates: [ 0.500000000000000, 0.500000000000000, 0.250000000000000 ] mass: 168.934210 reduced_to: 7 - symbol: Tm # 21 coordinates: [ 0.833333333333333, 0.500000000000000, 0.250000000000000 ] mass: 168.934210 reduced_to: 7 - symbol: Tm # 22 coordinates: [ 0.166666666666667, 0.500000000000000, 0.750000000000000 ] mass: 168.934210 reduced_to: 7 - symbol: Tm # 23 coordinates: [ 0.500000000000000, 0.500000000000000, 0.750000000000000 ] mass: 168.934210 reduced_to: 7 - symbol: Tm # 24 coordinates: [ 0.833333333333333, 0.500000000000000, 0.750000000000000 ] mass: 168.934210 reduced_to: 7 - symbol: Cs # 25 coordinates: [ 0.166666666666667, 0.244043360000000, 0.375000000000000 ] mass: 132.905452 reduced_to: 25 - symbol: Cs # 26 coordinates: [ 0.500000000000000, 0.244043360000000, 0.375000000000000 ] mass: 132.905452 reduced_to: 25 - symbol: Cs # 27 coordinates: [ 0.833333333333333, 0.244043360000000, 0.375000000000000 ] mass: 132.905452 reduced_to: 25 - symbol: Cs # 28 coordinates: [ 0.166666666666667, 0.244043360000000, 0.875000000000000 ] mass: 132.905452 reduced_to: 25 - symbol: Cs # 29 coordinates: [ 0.500000000000000, 0.244043360000000, 0.875000000000000 ] mass: 132.905452 reduced_to: 25 - symbol: Cs # 30 coordinates: [ 0.833333333333333, 0.244043360000000, 0.875000000000000 ] mass: 132.905452 reduced_to: 25 - symbol: Cs # 31 coordinates: [ 0.000000000000000, 0.255956640000000, 0.125000000000000 ] mass: 132.905452 reduced_to: 31 - symbol: Cs # 32 coordinates: [ 0.333333333333333, 0.255956640000000, 0.125000000000000 ] mass: 132.905452 reduced_to: 31 - symbol: Cs # 33 coordinates: [ 0.666666666666667, 0.255956640000000, 0.125000000000000 ] mass: 132.905452 reduced_to: 31 - symbol: Cs # 34 coordinates: [ 0.000000000000000, 0.255956640000000, 0.625000000000000 ] mass: 132.905452 reduced_to: 31 - symbol: Cs # 35 coordinates: [ 0.333333333333333, 0.255956640000000, 0.625000000000000 ] mass: 132.905452 reduced_to: 31 - symbol: Cs # 36 coordinates: [ 0.666666666666667, 0.255956640000000, 0.625000000000000 ] mass: 132.905452 reduced_to: 31 - symbol: Cs # 37 coordinates: [ 0.000000000000000, 0.744043360000000, 0.375000000000000 ] mass: 132.905452 reduced_to: 25 - symbol: Cs # 38 coordinates: [ 0.333333333333333, 0.744043360000000, 0.375000000000000 ] mass: 132.905452 reduced_to: 25 - symbol: Cs # 39 coordinates: [ 0.666666666666667, 0.744043360000000, 0.375000000000000 ] mass: 132.905452 reduced_to: 25 - symbol: Cs # 40 coordinates: [ 0.000000000000000, 0.744043360000000, 0.875000000000000 ] mass: 132.905452 reduced_to: 25 - symbol: Cs # 41 coordinates: [ 0.333333333333333, 0.744043360000000, 0.875000000000000 ] mass: 132.905452 reduced_to: 25 - symbol: Cs # 42 coordinates: [ 0.666666666666667, 0.744043360000000, 0.875000000000000 ] mass: 132.905452 reduced_to: 25 - symbol: Cs # 43 coordinates: [ 0.166666666666667, 0.755956640000000, 0.125000000000000 ] mass: 132.905452 reduced_to: 31 - symbol: Cs # 44 coordinates: [ 0.500000000000000, 0.755956640000000, 0.125000000000000 ] mass: 132.905452 reduced_to: 31 - symbol: Cs # 45 coordinates: [ 0.833333333333333, 0.755956640000000, 0.125000000000000 ] mass: 132.905452 reduced_to: 31 - symbol: Cs # 46 coordinates: [ 0.166666666666667, 0.755956640000000, 0.625000000000000 ] mass: 132.905452 reduced_to: 31 - symbol: Cs # 47 coordinates: [ 0.500000000000000, 0.755956640000000, 0.625000000000000 ] mass: 132.905452 reduced_to: 31 - symbol: Cs # 48 coordinates: [ 0.833333333333333, 0.755956640000000, 0.625000000000000 ] mass: 132.905452 reduced_to: 31 - symbol: Se # 49 coordinates: [ 0.000000000000000, 0.382794130000000, 0.471792230000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 50 coordinates: [ 0.333333333333333, 0.382794130000000, 0.471792230000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 51 coordinates: [ 0.666666666666667, 0.382794130000000, 0.471792230000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 52 coordinates: [ 0.000000000000000, 0.382794130000000, 0.971792230000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 53 coordinates: [ 0.333333333333333, 0.382794130000000, 0.971792230000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 54 coordinates: [ 0.666666666666667, 0.382794130000000, 0.971792230000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 55 coordinates: [ 0.166666666666667, 0.117205870000000, 0.028207770000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 56 coordinates: [ 0.500000000000000, 0.117205870000000, 0.028207770000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 57 coordinates: [ 0.833333333333333, 0.117205870000000, 0.028207770000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 58 coordinates: [ 0.166666666666667, 0.117205870000000, 0.528207770000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 59 coordinates: [ 0.500000000000000, 0.117205870000000, 0.528207770000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 60 coordinates: [ 0.833333333333333, 0.117205870000000, 0.528207770000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 61 coordinates: [ 0.166666666666667, 0.117205870000000, 0.221792230000000 ] mass: 78.960000 reduced_to: 61 - symbol: Se # 62 coordinates: [ 0.500000000000000, 0.117205870000000, 0.221792230000000 ] mass: 78.960000 reduced_to: 61 - symbol: Se # 63 coordinates: [ 0.833333333333333, 0.117205870000000, 0.221792230000000 ] mass: 78.960000 reduced_to: 61 - symbol: Se # 64 coordinates: [ 0.166666666666667, 0.117205870000000, 0.721792230000000 ] mass: 78.960000 reduced_to: 61 - symbol: Se # 65 coordinates: [ 0.500000000000000, 0.117205870000000, 0.721792230000000 ] mass: 78.960000 reduced_to: 61 - symbol: Se # 66 coordinates: [ 0.833333333333333, 0.117205870000000, 0.721792230000000 ] mass: 78.960000 reduced_to: 61 - symbol: Se # 67 coordinates: [ 0.000000000000000, 0.382794130000000, 0.278207770000000 ] mass: 78.960000 reduced_to: 67 - symbol: Se # 68 coordinates: [ 0.333333333333333, 0.382794130000000, 0.278207770000000 ] mass: 78.960000 reduced_to: 67 - symbol: Se # 69 coordinates: [ 0.666666666666667, 0.382794130000000, 0.278207770000000 ] mass: 78.960000 reduced_to: 67 - symbol: Se # 70 coordinates: [ 0.000000000000000, 0.382794130000000, 0.778207770000000 ] mass: 78.960000 reduced_to: 67 - symbol: Se # 71 coordinates: [ 0.333333333333333, 0.382794130000000, 0.778207770000000 ] mass: 78.960000 reduced_to: 67 - symbol: Se # 72 coordinates: [ 0.666666666666667, 0.382794130000000, 0.778207770000000 ] mass: 78.960000 reduced_to: 67 - symbol: Se # 73 coordinates: [ 0.000000000000000, 0.057096990000000, 0.375000000000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 74 coordinates: [ 0.333333333333333, 0.057096990000000, 0.375000000000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 75 coordinates: [ 0.666666666666667, 0.057096990000000, 0.375000000000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 76 coordinates: [ 0.000000000000000, 0.057096990000000, 0.875000000000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 77 coordinates: [ 0.333333333333333, 0.057096990000000, 0.875000000000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 78 coordinates: [ 0.666666666666667, 0.057096990000000, 0.875000000000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 79 coordinates: [ 0.166666666666667, 0.442903010000000, 0.125000000000000 ] mass: 78.960000 reduced_to: 79 - symbol: Se # 80 coordinates: [ 0.500000000000000, 0.442903010000000, 0.125000000000000 ] mass: 78.960000 reduced_to: 79 - symbol: Se # 81 coordinates: [ 0.833333333333333, 0.442903010000000, 0.125000000000000 ] mass: 78.960000 reduced_to: 79 - symbol: Se # 82 coordinates: [ 0.166666666666667, 0.442903010000000, 0.625000000000000 ] mass: 78.960000 reduced_to: 79 - symbol: Se # 83 coordinates: [ 0.500000000000000, 0.442903010000000, 0.625000000000000 ] mass: 78.960000 reduced_to: 79 - symbol: Se # 84 coordinates: [ 0.833333333333333, 0.442903010000000, 0.625000000000000 ] mass: 78.960000 reduced_to: 79 - symbol: Se # 85 coordinates: [ 0.166666666666667, 0.882794130000000, 0.471792230000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 86 coordinates: [ 0.500000000000000, 0.882794130000000, 0.471792230000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 87 coordinates: [ 0.833333333333333, 0.882794130000000, 0.471792230000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 88 coordinates: [ 0.166666666666667, 0.882794130000000, 0.971792230000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 89 coordinates: [ 0.500000000000000, 0.882794130000000, 0.971792230000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 90 coordinates: [ 0.833333333333333, 0.882794130000000, 0.971792230000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 91 coordinates: [ 0.000000000000000, 0.617205870000000, 0.028207770000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 92 coordinates: [ 0.333333333333333, 0.617205870000000, 0.028207770000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 93 coordinates: [ 0.666666666666667, 0.617205870000000, 0.028207770000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 94 coordinates: [ 0.000000000000000, 0.617205870000000, 0.528207770000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 95 coordinates: [ 0.333333333333333, 0.617205870000000, 0.528207770000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 96 coordinates: [ 0.666666666666667, 0.617205870000000, 0.528207770000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 97 coordinates: [ 0.000000000000000, 0.617205870000000, 0.221792230000000 ] mass: 78.960000 reduced_to: 61 - symbol: Se # 98 coordinates: [ 0.333333333333333, 0.617205870000000, 0.221792230000000 ] mass: 78.960000 reduced_to: 61 - symbol: Se # 99 coordinates: [ 0.666666666666667, 0.617205870000000, 0.221792230000000 ] mass: 78.960000 reduced_to: 61 - symbol: Se # 100 coordinates: [ 0.000000000000000, 0.617205870000000, 0.721792230000000 ] mass: 78.960000 reduced_to: 61 - symbol: Se # 101 coordinates: [ 0.333333333333333, 0.617205870000000, 0.721792230000000 ] mass: 78.960000 reduced_to: 61 - symbol: Se # 102 coordinates: [ 0.666666666666667, 0.617205870000000, 0.721792230000000 ] mass: 78.960000 reduced_to: 61 - symbol: Se # 103 coordinates: [ 0.166666666666667, 0.882794130000000, 0.278207770000000 ] mass: 78.960000 reduced_to: 67 - symbol: Se # 104 coordinates: [ 0.500000000000000, 0.882794130000000, 0.278207770000000 ] mass: 78.960000 reduced_to: 67 - symbol: Se # 105 coordinates: [ 0.833333333333333, 0.882794130000000, 0.278207770000000 ] mass: 78.960000 reduced_to: 67 - symbol: Se # 106 coordinates: [ 0.166666666666667, 0.882794130000000, 0.778207770000000 ] mass: 78.960000 reduced_to: 67 - symbol: Se # 107 coordinates: [ 0.500000000000000, 0.882794130000000, 0.778207770000000 ] mass: 78.960000 reduced_to: 67 - symbol: Se # 108 coordinates: [ 0.833333333333333, 0.882794130000000, 0.778207770000000 ] mass: 78.960000 reduced_to: 67 - symbol: Se # 109 coordinates: [ 0.166666666666667, 0.557096990000000, 0.375000000000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 110 coordinates: [ 0.500000000000000, 0.557096990000000, 0.375000000000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 111 coordinates: [ 0.833333333333333, 0.557096990000000, 0.375000000000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 112 coordinates: [ 0.166666666666667, 0.557096990000000, 0.875000000000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 113 coordinates: [ 0.500000000000000, 0.557096990000000, 0.875000000000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 114 coordinates: [ 0.833333333333333, 0.557096990000000, 0.875000000000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 115 coordinates: [ 0.000000000000000, 0.942903010000000, 0.125000000000000 ] mass: 78.960000 reduced_to: 79 - symbol: Se # 116 coordinates: [ 0.333333333333333, 0.942903010000000, 0.125000000000000 ] mass: 78.960000 reduced_to: 79 - symbol: Se # 117 coordinates: [ 0.666666666666667, 0.942903010000000, 0.125000000000000 ] mass: 78.960000 reduced_to: 79 - symbol: Se # 118 coordinates: [ 0.000000000000000, 0.942903010000000, 0.625000000000000 ] mass: 78.960000 reduced_to: 79 - symbol: Se # 119 coordinates: [ 0.333333333333333, 0.942903010000000, 0.625000000000000 ] mass: 78.960000 reduced_to: 79 - symbol: Se # 120 coordinates: [ 0.666666666666667, 0.942903010000000, 0.625000000000000 ] mass: 78.960000 reduced_to: 79 - symbol: Zn # 121 coordinates: [ 0.000000000000000, 0.462454530000000, 0.375000000000000 ] mass: 65.380000 reduced_to: 121 - symbol: Zn # 122 coordinates: [ 0.333333333333333, 0.462454530000000, 0.375000000000000 ] mass: 65.380000 reduced_to: 121 - symbol: Zn # 123 coordinates: [ 0.666666666666667, 0.462454530000000, 0.375000000000000 ] mass: 65.380000 reduced_to: 121 - symbol: Zn # 124 coordinates: [ 0.000000000000000, 0.462454530000000, 0.875000000000000 ] mass: 65.380000 reduced_to: 121 - symbol: Zn # 125 coordinates: [ 0.333333333333333, 0.462454530000000, 0.875000000000000 ] mass: 65.380000 reduced_to: 121 - symbol: Zn # 126 coordinates: [ 0.666666666666667, 0.462454530000000, 0.875000000000000 ] mass: 65.380000 reduced_to: 121 - symbol: Zn # 127 coordinates: [ 0.166666666666667, 0.037545470000000, 0.125000000000000 ] mass: 65.380000 reduced_to: 127 - symbol: Zn # 128 coordinates: [ 0.500000000000000, 0.037545470000000, 0.125000000000000 ] mass: 65.380000 reduced_to: 127 - symbol: Zn # 129 coordinates: [ 0.833333333333333, 0.037545470000000, 0.125000000000000 ] mass: 65.380000 reduced_to: 127 - symbol: Zn # 130 coordinates: [ 0.166666666666667, 0.037545470000000, 0.625000000000000 ] mass: 65.380000 reduced_to: 127 - symbol: Zn # 131 coordinates: [ 0.500000000000000, 0.037545470000000, 0.625000000000000 ] mass: 65.380000 reduced_to: 127 - symbol: Zn # 132 coordinates: [ 0.833333333333333, 0.037545470000000, 0.625000000000000 ] mass: 65.380000 reduced_to: 127 - symbol: Zn # 133 coordinates: [ 0.166666666666667, 0.962454530000000, 0.375000000000000 ] mass: 65.380000 reduced_to: 121 - symbol: Zn # 134 coordinates: [ 0.500000000000000, 0.962454530000000, 0.375000000000000 ] mass: 65.380000 reduced_to: 121 - symbol: Zn # 135 coordinates: [ 0.833333333333333, 0.962454530000000, 0.375000000000000 ] mass: 65.380000 reduced_to: 121 - symbol: Zn # 136 coordinates: [ 0.166666666666667, 0.962454530000000, 0.875000000000000 ] mass: 65.380000 reduced_to: 121 - symbol: Zn # 137 coordinates: [ 0.500000000000000, 0.962454530000000, 0.875000000000000 ] mass: 65.380000 reduced_to: 121 - symbol: Zn # 138 coordinates: [ 0.833333333333333, 0.962454530000000, 0.875000000000000 ] mass: 65.380000 reduced_to: 121 - symbol: Zn # 139 coordinates: [ 0.000000000000000, 0.537545470000000, 0.125000000000000 ] mass: 65.380000 reduced_to: 127 - symbol: Zn # 140 coordinates: [ 0.333333333333333, 0.537545470000000, 0.125000000000000 ] mass: 65.380000 reduced_to: 127 - symbol: Zn # 141 coordinates: [ 0.666666666666667, 0.537545470000000, 0.125000000000000 ] mass: 65.380000 reduced_to: 127 - symbol: Zn # 142 coordinates: [ 0.000000000000000, 0.537545470000000, 0.625000000000000 ] mass: 65.380000 reduced_to: 127 - symbol: Zn # 143 coordinates: [ 0.333333333333333, 0.537545470000000, 0.625000000000000 ] mass: 65.380000 reduced_to: 127 - symbol: Zn # 144 coordinates: [ 0.666666666666667, 0.537545470000000, 0.625000000000000 ] mass: 65.380000 reduced_to: 127born_effective_charge:- # 1 (Tm) - [ 4.748919250000000, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.664704760000000, 0.349640490000000 ] - [ -0.000000000000000, 0.479193900000000, 4.546429910000000 ]- # 2 (Tm) - [ 4.748919250000000, -0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, 1.664704760000000, -0.349640490000000 ] - [ 0.000000000000000, -0.479193900000000, 4.546429910000000 ]- # 3 (Cs) - [ 1.209423110000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 2.012172610000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.293527250000000 ]- # 4 (Cs) - [ 1.209423110000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 2.012172610000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.293527250000000 ]- # 5 (Se) - [ -2.818657880000000, 0.000000000000000, -0.000000000000000 ] - [ -0.000000000000000, -1.655360540000000, -0.065311510000000 ] - [ 0.000000000000000, -0.147887590000000, -2.191574890000000 ]- # 6 (Se) - [ -2.818657880000000, 0.000000000000000, -0.000000000000000 ] - [ -0.000000000000000, -1.655360540000000, -0.065311510000000 ] - [ 0.000000000000000, -0.147887590000000, -2.191574890000000 ]- # 7 (Se) - [ -2.818657880000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -1.655360540000000, 0.065311510000000 ] - [ -0.000000000000000, 0.147887590000000, -2.191574890000000 ]- # 8 (Se) - [ -2.818657880000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -1.655360540000000, 0.065311510000000 ] - [ -0.000000000000000, 0.147887590000000, -2.191574890000000 ]- # 9 (Se) - [ -2.280440140000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -1.145420900000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -3.316788420000000 ]- # 10 (Se) - [ -2.280440140000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -1.145420900000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -3.316788420000000 ]- # 11 (Zn) - [ 1.959413540000000, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 0.779264620000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.859981050000000 ]- # 12 (Zn) - [ 1.959413540000000, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 0.779264620000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.859981050000000 ]dielectric_constant: - [ 6.844230180000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 4.715701160000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 6.513907350000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0778284500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0163905400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0161651500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000005100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000403500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000111000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0015893400000000, -0.0000051200000000, 0.0000024400000000 ] - [ 0.0009803000000000, -0.0002145100000000, 0.0014899700000000 ] - [ 0.0009261500000000, 0.0002162900000000, -0.0014821900000000 ] - [ -0.0015893400000000, 0.0000051200000000, -0.0000024400000000 ] - [ 0.0009803000000000, 0.0002145100000000, -0.0014899700000000 ] - [ 0.0009261500000000, -0.0002162900000000, 0.0014821900000000 ] - [ -0.0004289500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0008311200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0003724600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000611300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000650600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000042200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001456600000000, 0.0000334900000000, 0.0000971600000000 ] - [ 0.0002342800000000, 0.0000003600000000, 0.0000031700000000 ] - [ -0.0000883500000000, -0.0000316400000000, -0.0000926200000000 ] - [ -0.0001456600000000, -0.0000334900000000, -0.0000971600000000 ] - [ 0.0002342800000000, -0.0000003600000000, -0.0000031700000000 ] - [ -0.0000883500000000, 0.0000316400000000, 0.0000926200000000 ] - [ -0.0015408700000000, 0.0022968300000000, 0.0001477700000000 ] - [ 0.0000647400000000, 0.0008682800000000, -0.0000020600000000 ] - [ 0.0014765000000000, 0.0020588300000000, -0.0001501700000000 ] - [ -0.0017157800000000, 0.0028854900000000, -0.0010240800000000 ] - [ 0.0004373600000000, 0.0008691300000000, -0.0000007400000000 ] - [ 0.0013032700000000, 0.0014735200000000, 0.0010188100000000 ] - [ -0.0017386000000000, -0.0008683100000000, 0.0000010900000000 ] - [ 0.0023656700000000, -0.0013446600000000, 0.0006638000000000 ] - [ -0.0006567700000000, -0.0030086100000000, -0.0006595300000000 ] - [ -0.0000152600000000, -0.0008676100000000, 0.0000016700000000 ] - [ 0.0015186100000000, -0.0021844200000000, -0.0000173800000000 ] - [ -0.0014995700000000, -0.0021693400000000, 0.0000200800000000 ] - [ -0.0000152600000000, 0.0008676100000000, -0.0000016700000000 ] - [ 0.0015186100000000, 0.0021844200000000, 0.0000173800000000 ] - [ -0.0014995700000000, 0.0021693400000000, -0.0000200800000000 ] - [ -0.0017386000000000, 0.0008683100000000, -0.0000010900000000 ] - [ 0.0023656700000000, 0.0013446600000000, -0.0006638000000000 ] - [ -0.0006567700000000, 0.0030086100000000, 0.0006595300000000 ] - [ -0.0017157800000000, -0.0028854900000000, 0.0010240800000000 ] - [ 0.0004373600000000, -0.0008691300000000, 0.0000007400000000 ] - [ 0.0013032700000000, -0.0014735200000000, -0.0010188100000000 ] - [ -0.0015408700000000, -0.0022968300000000, -0.0001477700000000 ] - [ 0.0000647400000000, -0.0008682800000000, 0.0000020600000000 ] - [ 0.0014765000000000, -0.0020588300000000, 0.0001501700000000 ] - [ 0.0000408800000000, -0.0006267000000000, 0.0005586000000000 ] - [ -0.0000287700000000, -0.0006572700000000, 0.0005137900000000 ] - [ -0.0000128100000000, -0.0006180300000000, 0.0005695500000000 ] - [ 0.0003236000000000, -0.0006270400000000, 0.0005580000000000 ] - [ -0.0001857900000000, -0.0010039700000000, 0.0007209700000000 ] - [ -0.0001695200000000, -0.0002779200000000, 0.0003726200000000 ] - [ 0.0126702200000000, 0.0129148100000000, 0.0005562600000000 ] - [ -0.0056058400000000, 0.0006259200000000, -0.0005607100000000 ] - [ 0.0121848800000000, -0.0111518200000000, -0.0015004400000000 ] - [ 0.0000486000000000, 0.0006578700000000, -0.0005656000000000 ] - [ -0.0001224700000000, 0.0006269800000000, -0.0005583200000000 ] - [ 0.0000325700000000, 0.0006198600000000, -0.0005195500000000 ] - [ 0.0004512900000000, 0.0011243200000000, -0.0016983300000000 ] - [ -0.0009024300000000, 0.0006261400000000, 0.0005579300000000 ] - [ 0.0004278500000000, 0.0001594100000000, 0.0027862300000000 ] - [ 0.0003397600000000, 0.0005172400000000, 0.0004378200000000 ] - [ -0.0005048400000000, 0.0006266600000000, 0.0005590900000000 ] - [ 0.0003227900000000, 0.0007602000000000, 0.0006468200000000 ] - [ 0.0000758000000000, -0.0006270200000000, -0.0005591600000000 ] - [ -0.0000449700000000, -0.0007324500000000, -0.0006037500000000 ] - [ -0.0000289600000000, -0.0005427100000000, -0.0004791200000000 ] - [ 0.0001971000000000, -0.0006259200000000, -0.0005569500000000 ] - [ -0.0001058600000000, -0.0007339300000000, -0.0004818600000000 ] - [ -0.0000900000000000, -0.0005473800000000, -0.0006129700000000 ] - [ 0.0003818400000000, -0.0003265600000000, -0.0000015700000000 ] - [ -0.0001792800000000, -0.0002257500000000, -0.0003086100000000 ] - [ -0.0001394600000000, -0.0003932800000000, 0.0003057700000000 ] - [ 0.0043603700000000, -0.0003613000000000, 0.0000772100000000 ] - [ -0.0013003100000000, -0.0009966100000000, 0.0016974600000000 ] - [ -0.0012736900000000, 0.0003793100000000, -0.0016976700000000 ] - [ 0.0001965100000000, 0.0002285500000000, -0.0000565700000000 ] - [ -0.0003711800000000, 0.0003242800000000, 0.0000010800000000 ] - [ 0.0001651800000000, 0.0003883000000000, 0.0000586000000000 ] - [ 0.0000545000000000, 0.0003271200000000, 0.0000280500000000 ] - [ -0.0000667100000000, 0.0003289400000000, 0.0000008500000000 ] - [ 0.0000130600000000, 0.0002937700000000, -0.0000265600000000 ] - [ 0.0000486000000000, -0.0006578700000000, 0.0005656000000000 ] - [ -0.0001224700000000, -0.0006269800000000, 0.0005583200000000 ] - [ 0.0000325700000000, -0.0006198600000000, 0.0005195500000000 ] - [ 0.0126702200000000, -0.0129148100000000, -0.0005562600000000 ] - [ -0.0056058400000000, -0.0006259200000000, 0.0005607100000000 ] - [ 0.0121848800000000, 0.0111518200000000, 0.0015004400000000 ] - [ 0.0003236000000000, 0.0006270400000000, -0.0005580000000000 ] - [ -0.0001857900000000, 0.0010039700000000, -0.0007209700000000 ] - [ -0.0001695200000000, 0.0002779200000000, -0.0003726200000000 ] - [ 0.0000408800000000, 0.0006267000000000, -0.0005586000000000 ] - [ -0.0000287700000000, 0.0006572700000000, -0.0005137900000000 ] - [ -0.0000128100000000, 0.0006180300000000, -0.0005695500000000 ] - [ 0.0001971000000000, 0.0006259200000000, 0.0005569500000000 ] - [ -0.0001058600000000, 0.0007339300000000, 0.0004818600000000 ] - [ -0.0000900000000000, 0.0005473800000000, 0.0006129700000000 ] - [ 0.0000758000000000, 0.0006270200000000, 0.0005591600000000 ] - [ -0.0000449700000000, 0.0007324500000000, 0.0006037500000000 ] - [ -0.0000289600000000, 0.0005427100000000, 0.0004791200000000 ] - [ 0.0003397600000000, -0.0005172400000000, -0.0004378200000000 ] - [ -0.0005048400000000, -0.0006266600000000, -0.0005590900000000 ] - [ 0.0003227900000000, -0.0007602000000000, -0.0006468200000000 ] - [ 0.0004512900000000, -0.0011243200000000, 0.0016983300000000 ] - [ -0.0009024300000000, -0.0006261400000000, -0.0005579300000000 ] - [ 0.0004278500000000, -0.0001594100000000, -0.0027862300000000 ] - [ 0.0000545000000000, -0.0003271200000000, -0.0000280500000000 ] - [ -0.0000667100000000, -0.0003289400000000, -0.0000008500000000 ] - [ 0.0000130600000000, -0.0002937700000000, 0.0000265600000000 ] - [ 0.0001965100000000, -0.0002285500000000, 0.0000565700000000 ] - [ -0.0003711800000000, -0.0003242800000000, -0.0000010800000000 ] - [ 0.0001651800000000, -0.0003883000000000, -0.0000586000000000 ] - [ 0.0043603700000000, 0.0003613000000000, -0.0000772100000000 ] - [ -0.0013003100000000, 0.0009966100000000, -0.0016974600000000 ] - [ -0.0012736900000000, -0.0003793100000000, 0.0016976700000000 ] - [ 0.0003818400000000, 0.0003265600000000, 0.0000015700000000 ] - [ -0.0001792800000000, 0.0002257500000000, 0.0003086100000000 ] - [ -0.0001394600000000, 0.0003932800000000, -0.0003057700000000 ] - [ -0.0000177600000000, 0.0017903200000000, 0.0000012100000000 ] - [ 0.0000306300000000, 0.0018250100000000, 0.0000644200000000 ] - [ -0.0000127900000000, 0.0017460700000000, -0.0000620700000000 ] - [ -0.0001589500000000, 0.0017894600000000, 0.0000008400000000 ] - [ 0.0001024500000000, 0.0018944400000000, -0.0001718100000000 ] - [ 0.0000577600000000, 0.0016772400000000, 0.0001757000000000 ] - [ -0.0002681400000000, -0.0051673300000000, 0.0077764100000000 ] - [ 0.0015710300000000, -0.0017909700000000, 0.0000008000000000 ] - [ -0.0002185700000000, 0.0015832900000000, -0.0077164700000000 ] - [ -0.0000431900000000, -0.0017139600000000, -0.0001079300000000 ] - [ 0.0000942500000000, -0.0017896200000000, -0.0000015500000000 ] - [ -0.0000000100000000, -0.0018559500000000, 0.0001057100000000 ] - [ -0.0000431900000000, 0.0017139600000000, 0.0001079300000000 ] - [ 0.0000942500000000, 0.0017896200000000, 0.0000015500000000 ] - [ -0.0000000100000000, 0.0018559500000000, -0.0001057100000000 ] - [ -0.0002681400000000, 0.0051673300000000, -0.0077764100000000 ] - [ 0.0015710300000000, 0.0017909700000000, -0.0000008000000000 ] - [ -0.0002185700000000, -0.0015832900000000, 0.0077164700000000 ] - [ -0.0001589500000000, -0.0017894600000000, -0.0000008400000000 ] - [ 0.0001024500000000, -0.0018944400000000, 0.0001718100000000 ] - [ 0.0000577600000000, -0.0016772400000000, -0.0001757000000000 ] - [ -0.0000177600000000, -0.0017903200000000, -0.0000012100000000 ] - [ 0.0000306300000000, -0.0018250100000000, -0.0000644200000000 ] - [ -0.0000127900000000, -0.0017460700000000, 0.0000620700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0659482800000000, -0.0014233400000000 ] - [ 0.0000250800000000, -0.0101229900000000, -0.0046157700000000 ] - [ -0.0000250800000000, -0.0101229900000000, -0.0046157700000000 ] - [ 0.0000000000000000, 0.0000628800000000, 0.0000479700000000 ] - [ 0.0000271700000000, 0.0000209300000000, 0.0002625300000000 ] - [ -0.0000271700000000, 0.0000209300000000, 0.0002625300000000 ] - [ 0.0000000000000000, -0.0011055900000000, -0.0018134400000000 ] - [ 0.0002430200000000, -0.0001826100000000, 0.0005532400000000 ] - [ -0.0002430200000000, -0.0001826100000000, 0.0005532400000000 ] - [ 0.0000000000000000, -0.0010982300000000, -0.0018144600000000 ] - [ -0.0001869200000000, -0.0001841800000000, 0.0005488700000000 ] - [ 0.0001869200000000, -0.0001841800000000, 0.0005488700000000 ] - [ -0.0000279300000000, 0.0006925300000000, 0.0000029200000000 ] - [ 0.0000000000000000, 0.0004008700000000, -0.0000714200000000 ] - [ 0.0000279300000000, 0.0006925300000000, 0.0000029200000000 ] - [ -0.0000292200000000, 0.0000211800000000, 0.0001173200000000 ] - [ 0.0000000000000000, 0.0000163500000000, 0.0001038800000000 ] - [ 0.0000292200000000, 0.0000211800000000, 0.0001173200000000 ] - [ -0.0000598600000000, 0.0001650100000000, 0.0000166800000000 ] - [ 0.0000000000000000, 0.0000954300000000, 0.0000272800000000 ] - [ 0.0000598600000000, 0.0001650100000000, 0.0000166800000000 ] - [ 0.0000036800000000, 0.0001629300000000, 0.0000170900000000 ] - [ 0.0000000000000000, 0.0000949600000000, 0.0000280500000000 ] - [ -0.0000036800000000, 0.0001629300000000, 0.0000170900000000 ] - [ -0.0014980200000000, 0.0022242900000000, 0.0000897200000000 ] - [ 0.0000000000000000, 0.0008946800000000, 0.0000628400000000 ] - [ 0.0014980200000000, 0.0022242900000000, 0.0000897200000000 ] - [ -0.0010464600000000, 0.0029666700000000, -0.0010450800000000 ] - [ 0.0000000000000000, 0.0008041300000000, -0.0002584700000000 ] - [ 0.0010464600000000, 0.0029666700000000, -0.0010450800000000 ] - [ 0.0000000000000000, 0.0008956500000000, 0.0015111200000000 ] - [ 0.0019933600000000, -0.0014267300000000, 0.0005835200000000 ] - [ -0.0019933600000000, -0.0014267300000000, 0.0005835200000000 ] - [ 0.0000000000000000, -0.0008803400000000, 0.0000019200000000 ] - [ 0.0015344000000000, -0.0022087900000000, 0.0000282100000000 ] - [ -0.0015344000000000, -0.0022087900000000, 0.0000282100000000 ] - [ 0.0000000000000000, 0.0008699700000000, -0.0000001700000000 ] - [ 0.0014836300000000, 0.0021630400000000, 0.0000264700000000 ] - [ -0.0014836300000000, 0.0021630400000000, 0.0000264700000000 ] - [ 0.0000000000000000, 0.0026274300000000, 0.0014921200000000 ] - [ 0.0010266200000000, 0.0029443300000000, 0.0005818600000000 ] - [ -0.0010266200000000, 0.0029443300000000, 0.0005818600000000 ] - [ -0.0019664900000000, -0.0014127400000000, -0.0010368200000000 ] - [ 0.0000000000000000, -0.0009463200000000, -0.0002571700000000 ] - [ 0.0019664900000000, -0.0014127400000000, -0.0010368200000000 ] - [ -0.0015196700000000, -0.0021469200000000, 0.0000916300000000 ] - [ 0.0000000000000000, -0.0008554700000000, 0.0000648500000000 ] - [ 0.0015196700000000, -0.0021469200000000, 0.0000916300000000 ] - [ 0.0000000000000000, -0.0006329100000000, 0.0004904100000000 ] - [ -0.0000091700000000, -0.0006406900000000, 0.0004869600000000 ] - [ 0.0000091700000000, -0.0006406900000000, 0.0004869600000000 ] - [ 0.0000000000000000, -0.0014709900000000, 0.0007710300000000 ] - [ -0.0000845800000000, -0.0010753300000000, 0.0007082500000000 ] - [ 0.0000845800000000, -0.0010753300000000, 0.0007082500000000 ] - [ 0.0100676800000000, 0.0186987400000000, 0.0019393000000000 ] - [ 0.0000000000000000, 0.0023466700000000, 0.0000251000000000 ] - [ -0.0100676800000000, 0.0186987400000000, 0.0019393000000000 ] - [ 0.0000044400000000, 0.0006442200000000, -0.0005910800000000 ] - [ 0.0000000000000000, 0.0006170400000000, -0.0007308500000000 ] - [ -0.0000044400000000, 0.0006442200000000, -0.0005910800000000 ] - [ 0.0006440900000000, 0.0019252900000000, -0.0003516700000000 ] - [ 0.0000000000000000, 0.0009149200000000, 0.0005428800000000 ] - [ -0.0006440900000000, 0.0019252900000000, -0.0003516700000000 ] - [ -0.0002157700000000, 0.0007995000000000, 0.0006614100000000 ] - [ 0.0000000000000000, 0.0006687500000000, 0.0002461000000000 ] - [ 0.0002157700000000, 0.0007995000000000, 0.0006614100000000 ] - [ 0.0000000000000000, -0.0007827500000000, -0.0006634400000000 ] - [ -0.0000086300000000, -0.0007278300000000, -0.0006074500000000 ] - [ 0.0000086300000000, -0.0007278300000000, -0.0006074500000000 ] - [ 0.0000000000000000, -0.0008774700000000, -0.0004589100000000 ] - [ -0.0000585900000000, -0.0007751300000000, -0.0005188800000000 ] - [ 0.0000585900000000, -0.0007751300000000, -0.0005188800000000 ] - [ 0.0000000000000000, -0.0000437300000000, 0.0003849100000000 ] - [ -0.0000257300000000, -0.0002365200000000, -0.0001839300000000 ] - [ 0.0000257300000000, -0.0002365200000000, -0.0001839300000000 ] - [ 0.0000000000000000, 0.0068229300000000, -0.0080602500000000 ] - [ 0.0006337100000000, 0.0015735900000000, -0.0004016900000000 ] - [ -0.0006337100000000, 0.0015735900000000, -0.0004016900000000 ] - [ 0.0000227400000000, -0.0001017600000000, 0.0001022200000000 ] - [ 0.0000000000000000, 0.0000012500000000, 0.0001084700000000 ] - [ -0.0000227400000000, -0.0001017600000000, 0.0001022200000000 ] - [ 0.0000206100000000, 0.0002647800000000, -0.0000695500000000 ] - [ 0.0000000000000000, 0.0002978800000000, -0.0000598200000000 ] - [ -0.0000206100000000, 0.0002647800000000, -0.0000695500000000 ] - [ 0.0000114900000000, -0.0006072900000000, 0.0005003600000000 ] - [ 0.0000000000000000, -0.0006111400000000, 0.0003898200000000 ] - [ -0.0000114900000000, -0.0006072900000000, 0.0005003600000000 ] - [ -0.0095853200000000, 0.0170998000000000, 0.0029061800000000 ] - [ 0.0000000000000000, 0.0011305600000000, 0.0011485200000000 ] - [ 0.0095853200000000, 0.0170998000000000, 0.0029061800000000 ] - [ 0.0000000000000000, -0.0002405000000000, -0.0003473600000000 ] - [ 0.0000683900000000, 0.0001791300000000, -0.0003842100000000 ] - [ -0.0000683900000000, 0.0001791300000000, -0.0003842100000000 ] - [ 0.0000000000000000, 0.0005927300000000, -0.0006285300000000 ] - [ -0.0000059000000000, 0.0006109900000000, -0.0006065600000000 ] - [ 0.0000059000000000, 0.0006109900000000, -0.0006065600000000 ] - [ 0.0000000000000000, 0.0003495900000000, 0.0006581900000000 ] - [ 0.0000436100000000, 0.0004780100000000, 0.0005743700000000 ] - [ -0.0000436100000000, 0.0004780100000000, 0.0005743700000000 ] - [ 0.0000000000000000, 0.0004437200000000, 0.0004558900000000 ] - [ -0.0000068700000000, 0.0005245900000000, 0.0004860600000000 ] - [ 0.0000068700000000, 0.0005245900000000, 0.0004860600000000 ] - [ 0.0002317800000000, -0.0004516800000000, -0.0004296700000000 ] - [ 0.0000000000000000, -0.0005593400000000, -0.0008780900000000 ] - [ -0.0002317800000000, -0.0004516800000000, -0.0004296700000000 ] - [ -0.0006263500000000, 0.0006698300000000, -0.0014471100000000 ] - [ 0.0000000000000000, -0.0003104600000000, -0.0005764000000000 ] - [ 0.0006263500000000, 0.0006698300000000, -0.0014471100000000 ] - [ 0.0000148100000000, -0.0003496800000000, -0.0000710000000000 ] - [ 0.0000000000000000, -0.0003493300000000, -0.0000609500000000 ] - [ -0.0000148100000000, -0.0003496800000000, -0.0000710000000000 ] - [ 0.0000116500000000, -0.0007159600000000, 0.0001002700000000 ] - [ 0.0000000000000000, -0.0006457200000000, 0.0001059400000000 ] - [ -0.0000116500000000, -0.0007159600000000, 0.0001002700000000 ] - [ 0.0000000000000000, 0.0075166400000000, -0.0080404100000000 ] - [ -0.0006756700000000, 0.0021935500000000, -0.0004086700000000 ] - [ 0.0006756700000000, 0.0021935500000000, -0.0004086700000000 ] - [ 0.0000000000000000, 0.0006053300000000, 0.0003862500000000 ] - [ -0.0000130500000000, 0.0003775300000000, -0.0001812700000000 ] - [ 0.0000130500000000, 0.0003775300000000, -0.0001812700000000 ] - [ 0.0000000000000000, 0.0018275300000000, 0.0001021700000000 ] - [ 0.0000238700000000, 0.0018009400000000, 0.0000732300000000 ] - [ -0.0000238700000000, 0.0018009400000000, 0.0000732300000000 ] - [ 0.0000000000000000, 0.0020716900000000, -0.0002783500000000 ] - [ -0.0000111700000000, 0.0019551000000000, -0.0001500600000000 ] - [ 0.0000111700000000, 0.0019551000000000, -0.0001500600000000 ] - [ -0.0019964100000000, -0.0069003000000000, 0.0049899600000000 ] - [ 0.0000000000000000, -0.0019980900000000, 0.0003654200000000 ] - [ 0.0019964100000000, -0.0069003000000000, 0.0049899600000000 ] - [ -0.0000072200000000, -0.0018932500000000, -0.0000060900000000 ] - [ 0.0000000000000000, -0.0017391400000000, 0.0001040600000000 ] - [ 0.0000072200000000, -0.0018932500000000, -0.0000060900000000 ] - [ -0.0000369100000000, 0.0016716400000000, -0.0000035900000000 ] - [ 0.0000000000000000, 0.0018353000000000, 0.0001071600000000 ] - [ 0.0000369100000000, 0.0016716400000000, -0.0000035900000000 ] - [ 0.0019375500000000, -0.0033095800000000, 0.0049938800000000 ] - [ 0.0000000000000000, 0.0015722600000000, 0.0003699000000000 ] - [ -0.0019375500000000, -0.0033095800000000, 0.0049938800000000 ] - [ 0.0000000000000000, -0.0015019500000000, -0.0002796200000000 ] - [ 0.0000553800000000, -0.0016097400000000, -0.0001528200000000 ] - [ -0.0000553800000000, -0.0016097400000000, -0.0001528200000000 ] - [ 0.0000000000000000, -0.0017470400000000, 0.0000994700000000 ] - [ 0.0000198800000000, -0.0017646200000000, 0.0000702900000000 ] - [ -0.0000198800000000, -0.0017646200000000, 0.0000702900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0014137400000000, -0.0718922400000000 ] - [ 0.0000144100000000, -0.0046168900000000, -0.0046818600000000 ] - [ -0.0000144100000000, -0.0046168900000000, -0.0046818600000000 ] - [ 0.0000000000000000, 0.0000500100000000, 0.0027074500000000 ] - [ 0.0000280000000000, 0.0002622800000000, 0.0018286800000000 ] - [ -0.0000280000000000, 0.0002622800000000, 0.0018286800000000 ] - [ 0.0000000000000000, 0.0018094300000000, 0.0098336800000000 ] - [ 0.0015130200000000, -0.0005523300000000, 0.0008262200000000 ] - [ -0.0015130200000000, -0.0005523300000000, 0.0008262200000000 ] - [ 0.0000000000000000, 0.0018190900000000, 0.0097829100000000 ] - [ -0.0014572600000000, -0.0005510100000000, 0.0008258000000000 ] - [ 0.0014572600000000, -0.0005510100000000, 0.0008258000000000 ] - [ -0.0000280500000000, 0.0000042700000000, -0.0007205200000000 ] - [ 0.0000000000000000, -0.0000736100000000, -0.0006155100000000 ] - [ 0.0000280500000000, 0.0000042700000000, -0.0007205200000000 ] - [ -0.0000291500000000, 0.0001191100000000, 0.0006751600000000 ] - [ 0.0000000000000000, 0.0001063300000000, 0.0006501000000000 ] - [ 0.0000291500000000, 0.0001191100000000, 0.0006751600000000 ] - [ 0.0000659300000000, -0.0000169500000000, 0.0000587200000000 ] - [ 0.0000000000000000, -0.0000290200000000, 0.0000044500000000 ] - [ -0.0000659300000000, -0.0000169500000000, 0.0000587200000000 ] - [ -0.0001219400000000, -0.0000177200000000, 0.0000583100000000 ] - [ 0.0000000000000000, -0.0000290600000000, 0.0000045800000000 ] - [ 0.0001219400000000, -0.0000177200000000, 0.0000583100000000 ] - [ -0.0014740900000000, 0.0024990500000000, 0.0005297600000000 ] - [ 0.0000000000000000, 0.0010266000000000, 0.0003128900000000 ] - [ 0.0014740900000000, 0.0024990500000000, 0.0005297600000000 ] - [ -0.0023346900000000, 0.0009528900000000, -0.0008411100000000 ] - [ 0.0000000000000000, 0.0005894300000000, -0.0003902300000000 ] - [ 0.0023346900000000, 0.0009528900000000, -0.0008411100000000 ] - [ 0.0000000000000000, 0.0008206600000000, 0.0002842700000000 ] - [ 0.0019172500000000, -0.0014584000000000, -0.0000183700000000 ] - [ -0.0019172500000000, -0.0014584000000000, -0.0000183700000000 ] - [ 0.0000000000000000, -0.0011982100000000, 0.0003784100000000 ] - [ 0.0014428900000000, -0.0024401300000000, 0.0002944500000000 ] - [ -0.0014428900000000, -0.0024401300000000, 0.0002944500000000 ] - [ 0.0000000000000000, 0.0005473800000000, 0.0003758500000000 ] - [ 0.0015737500000000, 0.0019293100000000, 0.0002930300000000 ] - [ -0.0015737500000000, 0.0019293100000000, 0.0002930300000000 ] - [ 0.0000000000000000, 0.0025590400000000, 0.0002813100000000 ] - [ 0.0010999100000000, 0.0029103700000000, -0.0000191600000000 ] - [ -0.0010999100000000, 0.0029103700000000, -0.0000191600000000 ] - [ -0.0006796500000000, -0.0034225300000000, -0.0008394100000000 ] - [ 0.0000000000000000, -0.0011548300000000, -0.0003879000000000 ] - [ 0.0006796500000000, -0.0034225300000000, -0.0008394100000000 ] - [ -0.0015424600000000, -0.0018695200000000, 0.0005313800000000 ] - [ 0.0000000000000000, -0.0007188300000000, 0.0003138600000000 ] - [ 0.0015424600000000, -0.0018695200000000, 0.0005313800000000 ] - [ 0.0000000000000000, -0.0007257400000000, 0.0001719100000000 ] - [ -0.0000230000000000, -0.0007058900000000, 0.0001843500000000 ] - [ 0.0000230000000000, -0.0007058900000000, 0.0001843500000000 ] - [ 0.0000000000000000, -0.0005884700000000, 0.0011467000000000 ] - [ 0.0000563900000000, -0.0005916500000000, 0.0010788400000000 ] - [ -0.0000563900000000, -0.0005916500000000, 0.0010788400000000 ] - [ 0.0011634200000000, 0.0039555200000000, 0.0044176300000000 ] - [ 0.0000000000000000, 0.0012482600000000, 0.0006674500000000 ] - [ -0.0011634200000000, 0.0039555200000000, 0.0044176300000000 ] - [ 0.0000180200000000, 0.0005873700000000, -0.0016558800000000 ] - [ 0.0000000000000000, 0.0006216000000000, -0.0013835100000000 ] - [ -0.0000180200000000, 0.0005873700000000, -0.0016558800000000 ] - [ -0.0018705600000000, -0.0008746200000000, -0.0013808600000000 ] - [ 0.0000000000000000, 0.0005169500000000, 0.0007477700000000 ] - [ 0.0018705600000000, -0.0008746200000000, -0.0013808600000000 ] - [ 0.0008985800000000, 0.0007846500000000, -0.0010686600000000 ] - [ 0.0000000000000000, 0.0008618400000000, 0.0000070100000000 ] - [ -0.0008985800000000, 0.0007846500000000, -0.0010686600000000 ] - [ 0.0000000000000000, -0.0008147200000000, -0.0007687800000000 ] - [ -0.0000449100000000, -0.0007692900000000, -0.0007237800000000 ] - [ 0.0000449100000000, -0.0007692900000000, -0.0007237800000000 ] - [ 0.0000000000000000, -0.0003471700000000, -0.0004910900000000 ] - [ 0.0000720000000000, -0.0004623600000000, -0.0005045900000000 ] - [ -0.0000720000000000, -0.0004623600000000, -0.0005045900000000 ] - [ 0.0000000000000000, -0.0005071600000000, -0.0027858800000000 ] - [ -0.0002858500000000, -0.0003511100000000, -0.0011560300000000 ] - [ 0.0002858500000000, -0.0003511100000000, -0.0011560300000000 ] - [ 0.0000000000000000, -0.0099024300000000, 0.0192401300000000 ] - [ 0.0011162500000000, -0.0001057300000000, 0.0012156400000000 ] - [ -0.0011162500000000, -0.0001057300000000, 0.0012156400000000 ] - [ -0.0000260400000000, 0.0001031700000000, 0.0003760000000000 ] - [ 0.0000000000000000, 0.0001710000000000, 0.0003733400000000 ] - [ 0.0000260400000000, 0.0001031700000000, 0.0003760000000000 ] - [ 0.0000406600000000, 0.0003360800000000, -0.0003644600000000 ] - [ 0.0000000000000000, 0.0003553600000000, -0.0003520300000000 ] - [ -0.0000406600000000, 0.0003360800000000, -0.0003644600000000 ] - [ -0.0000030100000000, -0.0006774100000000, -0.0005661600000000 ] - [ 0.0000000000000000, -0.0006188000000000, -0.0002646700000000 ] - [ 0.0000030100000000, -0.0006774100000000, -0.0005661600000000 ] - [ -0.0012323000000000, 0.0027804400000000, 0.0055289300000000 ] - [ 0.0000000000000000, 0.0000079300000000, 0.0017799800000000 ] - [ 0.0012323000000000, 0.0027804400000000, 0.0055289300000000 ] - [ 0.0000000000000000, 0.0006503700000000, 0.0000319800000000 ] - [ -0.0000720500000000, 0.0006745900000000, -0.0000122300000000 ] - [ 0.0000720500000000, 0.0006745900000000, -0.0000122300000000 ] - [ 0.0000000000000000, 0.0005104800000000, -0.0009421200000000 ] - [ 0.0000081000000000, 0.0005581800000000, -0.0009061500000000 ] - [ -0.0000081000000000, 0.0005581800000000, -0.0009061500000000 ] - [ 0.0000000000000000, 0.0008922600000000, 0.0006245200000000 ] - [ -0.0000872900000000, 0.0008035500000000, 0.0005869500000000 ] - [ 0.0000872900000000, 0.0008035500000000, 0.0005869500000000 ] - [ 0.0000000000000000, 0.0004219200000000, 0.0003454300000000 ] - [ 0.0000297000000000, 0.0004951300000000, 0.0003676400000000 ] - [ -0.0000297000000000, 0.0004951300000000, 0.0003676400000000 ] - [ -0.0008828000000000, -0.0004799000000000, -0.0021586400000000 ] - [ 0.0000000000000000, -0.0003782600000000, -0.0011119900000000 ] - [ 0.0008828000000000, -0.0004799000000000, -0.0021586400000000 ] - [ 0.0018816200000000, -0.0021278400000000, -0.0024752300000000 ] - [ 0.0000000000000000, -0.0007216200000000, -0.0003685300000000 ] - [ -0.0018816200000000, -0.0021278400000000, -0.0024752300000000 ] - [ -0.0000071700000000, -0.0002770000000000, -0.0003662400000000 ] - [ 0.0000000000000000, -0.0002894500000000, -0.0003537200000000 ] - [ 0.0000071700000000, -0.0002770000000000, -0.0003662400000000 ] - [ 0.0000602400000000, -0.0005083800000000, 0.0003740100000000 ] - [ 0.0000000000000000, -0.0004722800000000, 0.0003713200000000 ] - [ -0.0000602400000000, -0.0005083800000000, 0.0003740100000000 ] - [ 0.0000000000000000, -0.0096768600000000, 0.0204412900000000 ] - [ -0.0011526600000000, 0.0004986900000000, 0.0012242400000000 ] - [ 0.0011526600000000, 0.0004986900000000, 0.0012242400000000 ] - [ 0.0000000000000000, 0.0001396500000000, -0.0027861300000000 ] - [ 0.0002479800000000, 0.0002583800000000, -0.0011549900000000 ] - [ -0.0002479800000000, 0.0002583800000000, -0.0011549900000000 ] - [ 0.0000000000000000, 0.0018062300000000, 0.0003302200000000 ] - [ 0.0000257100000000, 0.0017688200000000, 0.0002922600000000 ] - [ -0.0000257100000000, 0.0017688200000000, 0.0002922600000000 ] - [ 0.0000000000000000, 0.0018087400000000, -0.0003964600000000 ] - [ -0.0000384000000000, 0.0018113000000000, -0.0003227200000000 ] - [ 0.0000384000000000, 0.0018113000000000, -0.0003227200000000 ] - [ 0.0076796100000000, 0.0022820200000000, 0.0026600600000000 ] - [ 0.0000000000000000, -0.0007750100000000, -0.0003094000000000 ] - [ -0.0076796100000000, 0.0022820200000000, 0.0026600600000000 ] - [ -0.0000832400000000, -0.0016069800000000, 0.0010096800000000 ] - [ 0.0000000000000000, -0.0019518700000000, 0.0004837800000000 ] - [ 0.0000832400000000, -0.0016069800000000, 0.0010096800000000 ] - [ 0.0000397600000000, 0.0019578600000000, 0.0010121600000000 ] - [ 0.0000000000000000, 0.0016217100000000, 0.0004868600000000 ] - [ -0.0000397600000000, 0.0019578600000000, 0.0010121600000000 ] - [ -0.0076276100000000, 0.0057860200000000, 0.0026225700000000 ] - [ 0.0000000000000000, 0.0027930900000000, -0.0003046900000000 ] - [ 0.0076276100000000, 0.0057860200000000, 0.0026225700000000 ] - [ 0.0000000000000000, -0.0017669000000000, -0.0003993700000000 ] - [ 0.0000819800000000, -0.0017548700000000, -0.0003257900000000 ] - [ -0.0000819800000000, -0.0017548700000000, -0.0003257900000000 ] - [ 0.0000000000000000, -0.0017687500000000, 0.0003275400000000 ] - [ 0.0000179600000000, -0.0017968600000000, 0.0002890400000000 ] - [ -0.0000179600000000, -0.0017968600000000, 0.0002890400000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000229200000000, 0.0000131200000000, 0.0000351600000000 ] - [ 0.0000049700000000, -0.0000085200000000, -0.0000317500000000 ] - [ 0.0000449200000000, 0.0000020900000000, 0.0000008800000000 ] - [ -0.0001962800000000, 0.0004617300000000, -0.0008288800000000 ] - [ -0.0001709900000000, -0.0004589100000000, 0.0008277100000000 ] - [ 0.0004188400000000, 0.0000001700000000, -0.0000003600000000 ] - [ -0.0001962800000000, 0.0004617300000000, 0.0008288800000000 ] - [ -0.0001709900000000, -0.0004589100000000, -0.0008277100000000 ] - [ 0.0004188400000000, 0.0000001700000000, 0.0000003600000000 ] - [ -0.0000229200000000, 0.0000131200000000, -0.0000351600000000 ] - [ 0.0000049700000000, -0.0000085200000000, 0.0000317500000000 ] - [ 0.0000449200000000, 0.0000020900000000, -0.0000008800000000 ] - [ -0.0000354900000000, 0.0000019800000000, -0.0000009900000000 ] - [ 0.0000186100000000, 0.0000269700000000, -0.0000640000000000 ] - [ 0.0000481600000000, -0.0000231600000000, 0.0000659900000000 ] - [ -0.0017619800000000, 0.0000004100000000, -0.0000024900000000 ] - [ 0.0008620800000000, 0.0004859000000000, 0.0004095400000000 ] - [ 0.0008931300000000, -0.0004801500000000, -0.0004080100000000 ] - [ -0.0017619800000000, 0.0000004100000000, 0.0000024900000000 ] - [ 0.0008620800000000, 0.0004859000000000, -0.0004095400000000 ] - [ 0.0008931300000000, -0.0004801500000000, 0.0004080100000000 ] - [ -0.0000354900000000, 0.0000019800000000, 0.0000009900000000 ] - [ 0.0000186100000000, 0.0000269700000000, 0.0000640000000000 ] - [ 0.0000481600000000, -0.0000231600000000, -0.0000659900000000 ] - [ -0.0213168600000000, 0.0018840000000000, 0.0000000000000000 ] - [ 0.0035665500000000, 0.0009245300000000, 0.0000000000000000 ] - [ 0.0050230900000000, 0.0021363300000000, 0.0000000000000000 ] - [ -0.0015064100000000, 0.0021830300000000, 0.0000000000000000 ] - [ 0.0000129200000000, 0.0008772000000000, 0.0000000000000000 ] - [ 0.0015220900000000, 0.0021760300000000, 0.0000000000000000 ] - [ -0.0000181100000000, -0.0008174100000000, 0.0002360000000000 ] - [ 0.0014899100000000, -0.0022355500000000, -0.0002371000000000 ] - [ -0.0014168600000000, -0.0021811500000000, -0.0000006800000000 ] - [ -0.0000181100000000, -0.0008174100000000, -0.0002360000000000 ] - [ 0.0014899100000000, -0.0022355500000000, 0.0002371000000000 ] - [ -0.0014168600000000, -0.0021811500000000, 0.0000006800000000 ] - [ -0.0000277600000000, 0.0008650200000000, 0.0000000000000000 ] - [ 0.0014821600000000, 0.0021970400000000, 0.0000000000000000 ] - [ -0.0014236000000000, 0.0021871600000000, 0.0000000000000000 ] - [ 0.0000083000000000, 0.0008678700000000, 0.0000000000000000 ] - [ 0.0015177600000000, 0.0021855300000000, 0.0000000000000000 ] - [ -0.0014975800000000, 0.0021838100000000, 0.0000000000000000 ] - [ -0.0015220900000000, -0.0021795100000000, -0.0000001000000000 ] - [ 0.0000221400000000, -0.0008712700000000, -0.0000250000000000 ] - [ 0.0015304000000000, -0.0021775800000000, 0.0000245800000000 ] - [ -0.0015220900000000, -0.0021795100000000, 0.0000001000000000 ] - [ 0.0000221400000000, -0.0008712700000000, 0.0000250000000000 ] - [ 0.0015304000000000, -0.0021775800000000, -0.0000245800000000 ] - [ 0.0018586300000000, -0.0015969100000000, -0.0007374900000000 ] - [ 0.0018791900000000, 0.0003997200000000, 0.0018709700000000 ] - [ -0.0005387600000000, -0.0006295300000000, 0.0005433300000000 ] - [ 0.0000200000000000, -0.0006055900000000, 0.0005522300000000 ] - [ 0.0000124100000000, -0.0006359000000000, 0.0005543000000000 ] - [ -0.0000053900000000, -0.0006280400000000, 0.0005497500000000 ] - [ 0.0000496700000000, 0.0006297400000000, -0.0005458400000000 ] - [ -0.0000091200000000, 0.0006477000000000, -0.0004995700000000 ] - [ -0.0000163100000000, 0.0006008900000000, -0.0006029900000000 ] - [ 0.0002884600000000, 0.0006294800000000, -0.0005465500000000 ] - [ -0.0001374900000000, 0.0008746600000000, -0.0008008100000000 ] - [ -0.0001445700000000, 0.0003767200000000, -0.0003056700000000 ] - [ 0.0002884600000000, 0.0006294800000000, 0.0005465500000000 ] - [ -0.0001374900000000, 0.0008746600000000, 0.0008008100000000 ] - [ -0.0001445700000000, 0.0003767200000000, 0.0003056700000000 ] - [ 0.0000496700000000, 0.0006297400000000, 0.0005458400000000 ] - [ -0.0000091200000000, 0.0006477000000000, 0.0004995700000000 ] - [ -0.0000163100000000, 0.0006008900000000, 0.0006029900000000 ] - [ 0.0018586300000000, -0.0015969100000000, 0.0007374900000000 ] - [ 0.0018791900000000, 0.0003997200000000, -0.0018709700000000 ] - [ -0.0005387600000000, -0.0006295300000000, -0.0005433300000000 ] - [ 0.0000200000000000, -0.0006055900000000, -0.0005522300000000 ] - [ 0.0000124100000000, -0.0006359000000000, -0.0005543000000000 ] - [ -0.0000053900000000, -0.0006280400000000, -0.0005497500000000 ] - [ 0.0022950000000000, 0.0022915500000000, 0.0000000000000000 ] - [ 0.0023128700000000, -0.0029931300000000, 0.0000000000000000 ] - [ -0.0003647800000000, -0.0003057300000000, 0.0000000000000000 ] - [ 0.0000192800000000, -0.0003263200000000, 0.0000000000000000 ] - [ 0.0000017700000000, -0.0003003900000000, 0.0000000000000000 ] - [ 0.0000097000000000, -0.0003049400000000, 0.0000000000000000 ] - [ 0.0001975000000000, 0.0003097300000000, 0.0000001000000000 ] - [ -0.0000718400000000, 0.0002726100000000, 0.0001211500000000 ] - [ -0.0000915900000000, 0.0003650300000000, -0.0001223400000000 ] - [ 0.0001975000000000, 0.0003097300000000, -0.0000001000000000 ] - [ -0.0000718400000000, 0.0002726100000000, -0.0001211500000000 ] - [ -0.0000915900000000, 0.0003650300000000, 0.0001223400000000 ] - [ 0.0004484900000000, -0.0006258100000000, 0.0005433900000000 ] - [ -0.0001694700000000, -0.0005315900000000, 0.0004508200000000 ] - [ -0.0001789000000000, -0.0007086800000000, 0.0006503800000000 ] - [ 0.0000366600000000, -0.0006269400000000, 0.0005493200000000 ] - [ -0.0000025400000000, -0.0006095700000000, 0.0005609100000000 ] - [ -0.0000096100000000, -0.0006321500000000, 0.0005500400000000 ] - [ 0.0000339800000000, 0.0006087300000000, -0.0005720200000000 ] - [ 0.0000269300000000, 0.0006405400000000, -0.0005337400000000 ] - [ -0.0000331400000000, 0.0006311400000000, -0.0005449500000000 ] - [ 0.0001324300000000, 0.0007786400000000, -0.0004761100000000 ] - [ 0.0001246100000000, 0.0004722400000000, -0.0006303700000000 ] - [ -0.0002079200000000, 0.0006315500000000, -0.0005457600000000 ] - [ 0.0001324300000000, 0.0007786400000000, 0.0004761100000000 ] - [ 0.0001246100000000, 0.0004722400000000, 0.0006303700000000 ] - [ -0.0002079200000000, 0.0006315500000000, 0.0005457600000000 ] - [ 0.0000339800000000, 0.0006087300000000, 0.0005720200000000 ] - [ 0.0000269300000000, 0.0006405400000000, 0.0005337400000000 ] - [ -0.0000331400000000, 0.0006311400000000, 0.0005449500000000 ] - [ 0.0004484900000000, -0.0006258100000000, -0.0005433900000000 ] - [ -0.0001694700000000, -0.0005315900000000, -0.0004508200000000 ] - [ -0.0001789000000000, -0.0007086800000000, -0.0006503800000000 ] - [ 0.0000366600000000, -0.0006269400000000, -0.0005493200000000 ] - [ -0.0000025400000000, -0.0006095700000000, -0.0005609100000000 ] - [ -0.0000096100000000, -0.0006321500000000, -0.0005500400000000 ] - [ 0.0007311900000000, -0.0003088100000000, 0.0000000000000000 ] - [ -0.0004674500000000, -0.0006786700000000, 0.0000000000000000 ] - [ -0.0004833000000000, 0.0000454900000000, 0.0000000000000000 ] - [ 0.0000408900000000, -0.0003069600000000, 0.0000000000000000 ] - [ -0.0000000800000000, -0.0003300700000000, 0.0000000000000000 ] - [ -0.0000129200000000, -0.0002970500000000, 0.0000000000000000 ] - [ 0.0001106800000000, 0.0003340900000000, -0.0001006000000000 ] - [ 0.0000944100000000, 0.0003040600000000, 0.0000985300000000 ] - [ -0.0001132900000000, 0.0003116300000000, -0.0000004300000000 ] - [ 0.0001106800000000, 0.0003340900000000, 0.0001006000000000 ] - [ 0.0000944100000000, 0.0003040600000000, -0.0000985300000000 ] - [ -0.0001132900000000, 0.0003116300000000, 0.0000004300000000 ] - [ 0.0003392800000000, 0.0002142900000000, 0.0000000000000000 ] - [ 0.0003627400000000, 0.0033676300000000, 0.0000000000000000 ] - [ 0.0002964500000000, 0.0017849300000000, 0.0000000000000000 ] - [ 0.0000075600000000, 0.0017825100000000, 0.0000000000000000 ] - [ 0.0000294100000000, 0.0017912200000000, 0.0000000000000000 ] - [ -0.0000102100000000, 0.0017842400000000, 0.0000000000000000 ] - [ 0.0001160900000000, -0.0017791900000000, 0.0000017600000000 ] - [ -0.0000105000000000, -0.0019023100000000, -0.0001673900000000 ] - [ 0.0000122700000000, -0.0016639600000000, 0.0001657700000000 ] - [ 0.0001160900000000, -0.0017791900000000, -0.0000017600000000 ] - [ -0.0000105000000000, -0.0019023100000000, 0.0001673900000000 ] - [ 0.0000122700000000, -0.0016639600000000, -0.0001657700000000 ] - [ -0.0013215500000000, 0.0017834000000000, 0.0000000000000000 ] - [ 0.0004822600000000, 0.0016082800000000, 0.0000000000000000 ] - [ 0.0005119200000000, 0.0019626600000000, 0.0000000000000000 ] - [ -0.0000165000000000, 0.0017849400000000, 0.0000000000000000 ] - [ 0.0000112300000000, 0.0017865100000000, 0.0000000000000000 ] - [ 0.0000331900000000, 0.0017872000000000, 0.0000000000000000 ] - [ -0.0000353100000000, -0.0017810600000000, 0.0001006000000000 ] - [ -0.0000131500000000, -0.0017850600000000, -0.0001003200000000 ] - [ 0.0000737800000000, -0.0017809400000000, -0.0000000300000000 ] - [ -0.0000353100000000, -0.0017810600000000, -0.0001006000000000 ] - [ -0.0000131500000000, -0.0017850600000000, 0.0001003200000000 ] - [ 0.0000737800000000, -0.0017809400000000, 0.0000000300000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001047200000000, 0.0000380800000000, 0.0003155100000000 ] - [ -0.0001047200000000, 0.0000380800000000, 0.0003155100000000 ] - [ 0.0000000000000000, 0.0000186000000000, 0.0001563600000000 ] - [ 0.0006901300000000, 0.0007721600000000, -0.0012319200000000 ] - [ -0.0006901300000000, 0.0007721600000000, -0.0012319200000000 ] - [ 0.0000000000000000, -0.0000734300000000, -0.0002847200000000 ] - [ 0.0006901300000000, 0.0007721600000000, 0.0012319200000000 ] - [ -0.0006901300000000, 0.0007721600000000, 0.0012319200000000 ] - [ 0.0000000000000000, -0.0000734300000000, 0.0002847200000000 ] - [ 0.0001047200000000, 0.0000380800000000, -0.0003155100000000 ] - [ -0.0001047200000000, 0.0000380800000000, -0.0003155100000000 ] - [ 0.0000000000000000, 0.0000186000000000, -0.0001563600000000 ] - [ 0.0000000000000000, -0.0000073500000000, -0.0003268100000000 ] - [ -0.0000219600000000, -0.0000237200000000, -0.0002540100000000 ] - [ 0.0000219600000000, -0.0000237200000000, -0.0002540100000000 ] - [ 0.0000000000000000, 0.0017693500000000, 0.0016978900000000 ] - [ 0.0008168400000000, 0.0007573700000000, 0.0007255600000000 ] - [ -0.0008168400000000, 0.0007573700000000, 0.0007255600000000 ] - [ 0.0000000000000000, 0.0017693500000000, -0.0016978900000000 ] - [ 0.0008168400000000, 0.0007573700000000, -0.0007255600000000 ] - [ -0.0008168400000000, 0.0007573700000000, -0.0007255600000000 ] - [ 0.0000000000000000, -0.0000073500000000, 0.0003268100000000 ] - [ -0.0000219600000000, -0.0000237200000000, 0.0002540100000000 ] - [ 0.0000219600000000, -0.0000237200000000, 0.0002540100000000 ] - [ 0.0000000000000000, -0.0167866900000000, 0.0000000000000000 ] - [ -0.0008134500000000, 0.0001226700000000, 0.0000000000000000 ] - [ 0.0008134500000000, 0.0001226700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0019633500000000, 0.0000000000000000 ] - [ -0.0007669600000000, 0.0013234300000000, 0.0000000000000000 ] - [ 0.0007669600000000, 0.0013234300000000, 0.0000000000000000 ] - [ -0.0007068600000000, -0.0020496500000000, -0.0001139700000000 ] - [ 0.0007068600000000, -0.0020496500000000, -0.0001139700000000 ] - [ 0.0000000000000000, -0.0025296400000000, -0.0000392600000000 ] - [ -0.0007068600000000, -0.0020496500000000, 0.0001139700000000 ] - [ 0.0007068600000000, -0.0020496500000000, 0.0001139700000000 ] - [ 0.0000000000000000, -0.0025296400000000, 0.0000392600000000 ] - [ -0.0007505800000000, 0.0021818100000000, 0.0000000000000000 ] - [ 0.0007505800000000, 0.0021818100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0027351300000000, 0.0000000000000000 ] - [ -0.0007576700000000, 0.0017104100000000, 0.0000000000000000 ] - [ 0.0007576700000000, 0.0017104100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0023765800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0017955900000000, 0.0000238100000000 ] - [ -0.0007630100000000, -0.0011723800000000, 0.0000068400000000 ] - [ 0.0007630100000000, -0.0011723800000000, 0.0000068400000000 ] - [ 0.0000000000000000, -0.0017955900000000, -0.0000238100000000 ] - [ -0.0007630100000000, -0.0011723800000000, -0.0000068400000000 ] - [ 0.0007630100000000, -0.0011723800000000, -0.0000068400000000 ] - [ -0.0010336100000000, 0.0006332900000000, 0.0016319600000000 ] - [ 0.0010336100000000, 0.0006332900000000, 0.0016319600000000 ] - [ 0.0000000000000000, -0.0004811400000000, 0.0005070100000000 ] - [ 0.0000090900000000, -0.0005289800000000, 0.0006170100000000 ] - [ -0.0000090900000000, -0.0005289800000000, 0.0006170100000000 ] - [ 0.0000000000000000, -0.0005438100000000, 0.0006102500000000 ] - [ 0.0000000000000000, 0.0006712500000000, -0.0009313500000000 ] - [ 0.0000398100000000, 0.0007288900000000, -0.0006654900000000 ] - [ -0.0000398100000000, 0.0007288900000000, -0.0006654900000000 ] - [ 0.0000000000000000, 0.0005399400000000, -0.0004051100000000 ] - [ 0.0002159200000000, 0.0007765200000000, -0.0002914000000000 ] - [ -0.0002159200000000, 0.0007765200000000, -0.0002914000000000 ] - [ 0.0000000000000000, 0.0005399400000000, 0.0004051100000000 ] - [ 0.0002159200000000, 0.0007765200000000, 0.0002914000000000 ] - [ -0.0002159200000000, 0.0007765200000000, 0.0002914000000000 ] - [ 0.0000000000000000, 0.0006712500000000, 0.0009313500000000 ] - [ 0.0000398100000000, 0.0007288900000000, 0.0006654900000000 ] - [ -0.0000398100000000, 0.0007288900000000, 0.0006654900000000 ] - [ -0.0010336100000000, 0.0006332900000000, -0.0016319600000000 ] - [ 0.0010336100000000, 0.0006332900000000, -0.0016319600000000 ] - [ 0.0000000000000000, -0.0004811400000000, -0.0005070100000000 ] - [ 0.0000090900000000, -0.0005289800000000, -0.0006170100000000 ] - [ -0.0000090900000000, -0.0005289800000000, -0.0006170100000000 ] - [ 0.0000000000000000, -0.0005438100000000, -0.0006102500000000 ] - [ 0.0028674200000000, 0.0028628500000000, 0.0000000000000000 ] - [ -0.0028674200000000, 0.0028628500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003167900000000, 0.0000000000000000 ] - [ -0.0000255700000000, -0.0003131700000000, 0.0000000000000000 ] - [ 0.0000255700000000, -0.0003131700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0002827700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002440300000000, 0.0005183400000000 ] - [ -0.0000685600000000, 0.0002897400000000, 0.0003811600000000 ] - [ 0.0000685600000000, 0.0002897400000000, 0.0003811600000000 ] - [ 0.0000000000000000, 0.0002440300000000, -0.0005183400000000 ] - [ -0.0000685600000000, 0.0002897400000000, -0.0003811600000000 ] - [ 0.0000685600000000, 0.0002897400000000, -0.0003811600000000 ] - [ 0.0000000000000000, -0.0013087600000000, 0.0009462700000000 ] - [ 0.0003189100000000, -0.0010577300000000, 0.0007800700000000 ] - [ -0.0003189100000000, -0.0010577300000000, 0.0007800700000000 ] - [ 0.0000000000000000, -0.0007365800000000, 0.0004847400000000 ] - [ 0.0000367000000000, -0.0007180400000000, 0.0004982400000000 ] - [ -0.0000367000000000, -0.0007180400000000, 0.0004982400000000 ] - [ 0.0000235900000000, 0.0005058200000000, -0.0003863300000000 ] - [ -0.0000235900000000, 0.0005058200000000, -0.0003863300000000 ] - [ 0.0000000000000000, 0.0005060900000000, -0.0003880100000000 ] - [ 0.0001296700000000, 0.0001277600000000, -0.0009003100000000 ] - [ -0.0001296700000000, 0.0001277600000000, -0.0009003100000000 ] - [ 0.0000000000000000, 0.0002975400000000, -0.0008290300000000 ] - [ 0.0001296700000000, 0.0001277600000000, 0.0009003100000000 ] - [ -0.0001296700000000, 0.0001277600000000, 0.0009003100000000 ] - [ 0.0000000000000000, 0.0002975400000000, 0.0008290300000000 ] - [ 0.0000235900000000, 0.0005058200000000, 0.0003863300000000 ] - [ -0.0000235900000000, 0.0005058200000000, 0.0003863300000000 ] - [ 0.0000000000000000, 0.0005060900000000, 0.0003880100000000 ] - [ 0.0000000000000000, -0.0013087600000000, -0.0009462700000000 ] - [ 0.0003189100000000, -0.0010577300000000, -0.0007800700000000 ] - [ -0.0003189100000000, -0.0010577300000000, -0.0007800700000000 ] - [ 0.0000000000000000, -0.0007365800000000, -0.0004847400000000 ] - [ 0.0000367000000000, -0.0007180400000000, -0.0004982400000000 ] - [ -0.0000367000000000, -0.0007180400000000, -0.0004982400000000 ] - [ 0.0000000000000000, -0.0011293500000000, 0.0000000000000000 ] - [ -0.0005159700000000, -0.0008010800000000, 0.0000000000000000 ] - [ 0.0005159700000000, -0.0008010800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003238800000000, 0.0000000000000000 ] - [ 0.0000093700000000, -0.0003315400000000, 0.0000000000000000 ] - [ -0.0000093700000000, -0.0003315400000000, 0.0000000000000000 ] - [ -0.0001819000000000, 0.0001064800000000, -0.0004957300000000 ] - [ 0.0001819000000000, 0.0001064800000000, -0.0004957300000000 ] - [ 0.0000000000000000, 0.0002483800000000, -0.0002047100000000 ] - [ -0.0001819000000000, 0.0001064800000000, 0.0004957300000000 ] - [ 0.0001819000000000, 0.0001064800000000, 0.0004957300000000 ] - [ 0.0000000000000000, 0.0002483800000000, 0.0002047100000000 ] - [ -0.0015177700000000, 0.0037824400000000, 0.0000000000000000 ] - [ 0.0015177700000000, 0.0037824400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0015487700000000, 0.0000000000000000 ] - [ -0.0000101100000000, 0.0017778000000000, 0.0000000000000000 ] - [ 0.0000101100000000, 0.0017778000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0017797900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0012809100000000, 0.0006520100000000 ] - [ -0.0000706500000000, -0.0018097500000000, 0.0001350200000000 ] - [ 0.0000706500000000, -0.0018097500000000, 0.0001350200000000 ] - [ 0.0000000000000000, -0.0012809100000000, -0.0006520100000000 ] - [ -0.0000706500000000, -0.0018097500000000, -0.0001350200000000 ] - [ 0.0000706500000000, -0.0018097500000000, -0.0001350200000000 ] - [ 0.0000000000000000, 0.0030599100000000, 0.0000000000000000 ] - [ -0.0008188300000000, 0.0025508200000000, 0.0000000000000000 ] - [ 0.0008188300000000, 0.0025508200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0017908400000000, 0.0000000000000000 ] - [ -0.0000234100000000, 0.0017939200000000, 0.0000000000000000 ] - [ 0.0000234100000000, 0.0017939200000000, 0.0000000000000000 ] - [ -0.0000482900000000, -0.0017198500000000, -0.0002012700000000 ] - [ 0.0000482900000000, -0.0017198500000000, -0.0002012700000000 ] - [ 0.0000000000000000, -0.0017178700000000, -0.0001019300000000 ] - [ -0.0000482900000000, -0.0017198500000000, 0.0002012700000000 ] - [ 0.0000482900000000, -0.0017198500000000, 0.0002012700000000 ] - [ 0.0000000000000000, -0.0017178700000000, 0.0001019300000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001341300000000, -0.0000276200000000, -0.0003134100000000 ] - [ 0.0001341300000000, -0.0000276200000000, -0.0003134100000000 ] - [ 0.0000000000000000, -0.0000077500000000, -0.0001534700000000 ] - [ -0.0007233100000000, -0.0007677700000000, 0.0012370600000000 ] - [ 0.0007233100000000, -0.0007677700000000, 0.0012370600000000 ] - [ 0.0000000000000000, 0.0000820900000000, 0.0002840300000000 ] - [ -0.0007233100000000, -0.0007677700000000, -0.0012370600000000 ] - [ 0.0007233100000000, -0.0007677700000000, -0.0012370600000000 ] - [ 0.0000000000000000, 0.0000820900000000, -0.0002840300000000 ] - [ -0.0001341300000000, -0.0000276200000000, 0.0003134100000000 ] - [ 0.0001341300000000, -0.0000276200000000, 0.0003134100000000 ] - [ 0.0000000000000000, -0.0000077500000000, 0.0001534700000000 ] - [ 0.0000000000000000, 0.0000167600000000, 0.0003258800000000 ] - [ -0.0000074900000000, 0.0000335700000000, 0.0002566200000000 ] - [ 0.0000074900000000, 0.0000335700000000, 0.0002566200000000 ] - [ 0.0000000000000000, -0.0017480600000000, -0.0016845100000000 ] - [ -0.0008454100000000, -0.0007466800000000, -0.0007246300000000 ] - [ 0.0008454100000000, -0.0007466800000000, -0.0007246300000000 ] - [ 0.0000000000000000, -0.0017480600000000, 0.0016845100000000 ] - [ -0.0008454100000000, -0.0007466800000000, 0.0007246300000000 ] - [ 0.0008454100000000, -0.0007466800000000, 0.0007246300000000 ] - [ 0.0000000000000000, 0.0000167600000000, -0.0003258800000000 ] - [ -0.0000074900000000, 0.0000335700000000, -0.0002566200000000 ] - [ 0.0000074900000000, 0.0000335700000000, -0.0002566200000000 ] - [ 0.0000000000000000, 0.0197792300000000, 0.0000000000000000 ] - [ -0.0007203700000000, 0.0029165400000000, 0.0000000000000000 ] - [ 0.0007203700000000, 0.0029165400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0024169400000000, 0.0000000000000000 ] - [ -0.0007548400000000, 0.0017107900000000, 0.0000000000000000 ] - [ 0.0007548400000000, 0.0017107900000000, 0.0000000000000000 ] - [ -0.0008143100000000, -0.0009671600000000, 0.0001150300000000 ] - [ 0.0008143100000000, -0.0009671600000000, 0.0001150300000000 ] - [ 0.0000000000000000, -0.0018311200000000, 0.0000395800000000 ] - [ -0.0008143100000000, -0.0009671600000000, -0.0001150300000000 ] - [ 0.0008143100000000, -0.0009671600000000, -0.0001150300000000 ] - [ 0.0000000000000000, -0.0018311200000000, -0.0000395800000000 ] - [ -0.0007737800000000, 0.0008601000000000, 0.0000000000000000 ] - [ 0.0007737800000000, 0.0008601000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0016485800000000, 0.0000000000000000 ] - [ -0.0007648500000000, 0.0013248400000000, 0.0000000000000000 ] - [ 0.0007648500000000, 0.0013248400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0020030000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0025639900000000, -0.0000236100000000 ] - [ -0.0007582700000000, -0.0018453400000000, -0.0000060300000000 ] - [ 0.0007582700000000, -0.0018453400000000, -0.0000060300000000 ] - [ 0.0000000000000000, -0.0025639900000000, 0.0000236100000000 ] - [ -0.0007582700000000, -0.0018453400000000, 0.0000060300000000 ] - [ 0.0007582700000000, -0.0018453400000000, 0.0000060300000000 ] - [ 0.0010022300000000, -0.0018368500000000, -0.0004943600000000 ] - [ -0.0010022300000000, -0.0018368500000000, -0.0004943600000000 ] - [ 0.0000000000000000, -0.0007781200000000, 0.0005826700000000 ] - [ -0.0000009100000000, -0.0007186500000000, 0.0004894600000000 ] - [ 0.0000009100000000, -0.0007186500000000, 0.0004894600000000 ] - [ 0.0000000000000000, -0.0007186000000000, 0.0004869600000000 ] - [ 0.0000000000000000, 0.0006068900000000, -0.0001575300000000 ] - [ -0.0000325300000000, 0.0005380100000000, -0.0004390100000000 ] - [ 0.0000325300000000, 0.0005380100000000, -0.0004390100000000 ] - [ 0.0000000000000000, 0.0007298900000000, -0.0006724900000000 ] - [ -0.0002092500000000, 0.0004911800000000, -0.0008140800000000 ] - [ 0.0002092500000000, 0.0004911800000000, -0.0008140800000000 ] - [ 0.0000000000000000, 0.0007298900000000, 0.0006724900000000 ] - [ -0.0002092500000000, 0.0004911800000000, 0.0008140800000000 ] - [ 0.0002092500000000, 0.0004911800000000, 0.0008140800000000 ] - [ 0.0000000000000000, 0.0006068900000000, 0.0001575300000000 ] - [ -0.0000325300000000, 0.0005380100000000, 0.0004390100000000 ] - [ 0.0000325300000000, 0.0005380100000000, 0.0004390100000000 ] - [ 0.0010022300000000, -0.0018368500000000, 0.0004943600000000 ] - [ -0.0010022300000000, -0.0018368500000000, 0.0004943600000000 ] - [ 0.0000000000000000, -0.0007781200000000, -0.0005826700000000 ] - [ -0.0000009100000000, -0.0007186500000000, -0.0004894600000000 ] - [ 0.0000009100000000, -0.0007186500000000, -0.0004894600000000 ] - [ 0.0000000000000000, -0.0007186000000000, -0.0004869600000000 ] - [ -0.0029519500000000, -0.0035972700000000, 0.0000000000000000 ] - [ 0.0029519500000000, -0.0035972700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0002833000000000, 0.0000000000000000 ] - [ 0.0000421600000000, -0.0002974700000000, 0.0000000000000000 ] - [ -0.0000421600000000, -0.0002974700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003110300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0003715800000000, -0.0005179200000000 ] - [ 0.0000886700000000, 0.0003448400000000, -0.0003826000000000 ] - [ -0.0000886700000000, 0.0003448400000000, -0.0003826000000000 ] - [ 0.0000000000000000, 0.0003715800000000, 0.0005179200000000 ] - [ 0.0000886700000000, 0.0003448400000000, 0.0003826000000000 ] - [ -0.0000886700000000, 0.0003448400000000, 0.0003826000000000 ] - [ 0.0000000000000000, 0.0000526900000000, 0.0001373800000000 ] - [ -0.0003101300000000, -0.0001895600000000, 0.0003219200000000 ] - [ 0.0003101300000000, -0.0001895600000000, 0.0003219200000000 ] - [ 0.0000000000000000, -0.0005236400000000, 0.0006126900000000 ] - [ -0.0000289500000000, -0.0005302100000000, 0.0006104300000000 ] - [ 0.0000289500000000, -0.0005302100000000, 0.0006104300000000 ] - [ -0.0000154300000000, 0.0007617600000000, -0.0007184300000000 ] - [ 0.0000154300000000, 0.0007617600000000, -0.0007184300000000 ] - [ 0.0000000000000000, 0.0007737500000000, -0.0007019800000000 ] - [ -0.0001205300000000, 0.0011412900000000, -0.0002051900000000 ] - [ 0.0001205300000000, 0.0011412900000000, -0.0002051900000000 ] - [ 0.0000000000000000, 0.0009845500000000, -0.0002608200000000 ] - [ -0.0001205300000000, 0.0011412900000000, 0.0002051900000000 ] - [ 0.0001205300000000, 0.0011412900000000, 0.0002051900000000 ] - [ 0.0000000000000000, 0.0009845500000000, 0.0002608200000000 ] - [ -0.0000154300000000, 0.0007617600000000, 0.0007184300000000 ] - [ 0.0000154300000000, 0.0007617600000000, 0.0007184300000000 ] - [ 0.0000000000000000, 0.0007737500000000, 0.0007019800000000 ] - [ 0.0000000000000000, 0.0000526900000000, -0.0001373800000000 ] - [ -0.0003101300000000, -0.0001895600000000, -0.0003219200000000 ] - [ 0.0003101300000000, -0.0001895600000000, -0.0003219200000000 ] - [ 0.0000000000000000, -0.0005236400000000, -0.0006126900000000 ] - [ -0.0000289500000000, -0.0005302100000000, -0.0006104300000000 ] - [ 0.0000289500000000, -0.0005302100000000, -0.0006104300000000 ] - [ 0.0000000000000000, 0.0005169900000000, 0.0000000000000000 ] - [ 0.0005311600000000, 0.0001842500000000, 0.0000000000000000 ] - [ -0.0005311600000000, 0.0001842500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0002732500000000, 0.0000000000000000 ] - [ 0.0000060100000000, -0.0002786700000000, 0.0000000000000000 ] - [ -0.0000060100000000, -0.0002786700000000, 0.0000000000000000 ] - [ 0.0002015300000000, 0.0005278200000000, 0.0004956500000000 ] - [ -0.0002015300000000, 0.0005278200000000, 0.0004956500000000 ] - [ 0.0000000000000000, 0.0003698000000000, 0.0002035200000000 ] - [ 0.0002015300000000, 0.0005278200000000, -0.0004956500000000 ] - [ -0.0002015300000000, 0.0005278200000000, -0.0004956500000000 ] - [ 0.0000000000000000, 0.0003698000000000, -0.0002035200000000 ] - [ 0.0014671900000000, -0.0001801300000000, 0.0000000000000000 ] - [ -0.0014671900000000, -0.0001801300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0020224000000000, 0.0000000000000000 ] - [ -0.0000115500000000, 0.0017999300000000, 0.0000000000000000 ] - [ 0.0000115500000000, 0.0017999300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0017942800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0022755400000000, -0.0006497900000000 ] - [ 0.0000489200000000, -0.0017489300000000, -0.0001351500000000 ] - [ -0.0000489200000000, -0.0017489300000000, -0.0001351500000000 ] - [ 0.0000000000000000, -0.0022755400000000, 0.0006497900000000 ] - [ 0.0000489200000000, -0.0017489300000000, 0.0001351500000000 ] - [ -0.0000489200000000, -0.0017489300000000, 0.0001351500000000 ] - [ 0.0000000000000000, 0.0004981300000000, 0.0000000000000000 ] - [ 0.0007915600000000, 0.0010247900000000, 0.0000000000000000 ] - [ -0.0007915600000000, 0.0010247900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0017837900000000, 0.0000000000000000 ] - [ 0.0000015200000000, 0.0017861300000000, 0.0000000000000000 ] - [ -0.0000015200000000, 0.0017861300000000, 0.0000000000000000 ] - [ 0.0000260300000000, -0.0018385700000000, 0.0002016300000000 ] - [ -0.0000260300000000, -0.0018385700000000, 0.0002016300000000 ] - [ 0.0000000000000000, -0.0018351200000000, 0.0001024600000000 ] - [ 0.0000260300000000, -0.0018385700000000, -0.0002016300000000 ] - [ -0.0000260300000000, -0.0018385700000000, -0.0002016300000000 ] - [ 0.0000000000000000, -0.0018351200000000, -0.0001024600000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001346900000000, 0.0000887400000000, 0.0005305200000000 ] - [ -0.0001346900000000, 0.0000887400000000, 0.0005305200000000 ] - [ 0.0000000000000000, 0.0000621700000000, 0.0003126600000000 ] - [ -0.0010396900000000, -0.0010461500000000, -0.0008438900000000 ] - [ 0.0010396900000000, -0.0010461500000000, -0.0008438900000000 ] - [ 0.0000000000000000, -0.0002600700000000, -0.0003918800000000 ] - [ 0.0010034600000000, 0.0010361500000000, -0.0008355200000000 ] - [ -0.0010034600000000, 0.0010361500000000, -0.0008355200000000 ] - [ 0.0000000000000000, 0.0002562900000000, -0.0003871100000000 ] - [ -0.0001647100000000, -0.0000922600000000, 0.0005302500000000 ] - [ 0.0001647100000000, -0.0000922600000000, 0.0005302500000000 ] - [ 0.0000000000000000, -0.0000652000000000, 0.0003128100000000 ] - [ 0.0000000000000000, 0.0000000300000000, 0.0003777700000000 ] - [ -0.0000327000000000, 0.0000250400000000, 0.0002945700000000 ] - [ 0.0000327000000000, 0.0000250400000000, 0.0002945700000000 ] - [ 0.0000000000000000, 0.0015056500000000, 0.0002834400000000 ] - [ 0.0006456600000000, 0.0005811300000000, -0.0000190300000000 ] - [ -0.0006456600000000, 0.0005811300000000, -0.0000190300000000 ] - [ 0.0000000000000000, -0.0014991800000000, 0.0002815200000000 ] - [ -0.0006756500000000, -0.0005836800000000, -0.0000193400000000 ] - [ 0.0006756500000000, -0.0005836800000000, -0.0000193400000000 ] - [ 0.0000000000000000, -0.0000026700000000, 0.0003767100000000 ] - [ 0.0000038900000000, -0.0000284400000000, 0.0002945400000000 ] - [ -0.0000038900000000, -0.0000284400000000, 0.0002945400000000 ] - [ 0.0000000000000000, 0.0022809800000000, -0.0089185100000000 ] - [ -0.0007630100000000, 0.0015072400000000, -0.0010204600000000 ] - [ 0.0007630100000000, 0.0015072400000000, -0.0010204600000000 ] - [ 0.0000000000000000, 0.0021802800000000, 0.0001547000000000 ] - [ -0.0007595000000000, 0.0015070500000000, 0.0001089800000000 ] - [ 0.0007595000000000, 0.0015070500000000, 0.0001089800000000 ] - [ -0.0005231100000000, -0.0016227500000000, 0.0004936700000000 ] - [ 0.0005231100000000, -0.0016227500000000, 0.0004936700000000 ] - [ 0.0000000000000000, -0.0022216600000000, 0.0000719600000000 ] - [ -0.0009970600000000, -0.0013954700000000, 0.0004978100000000 ] - [ 0.0009970600000000, -0.0013954700000000, 0.0004978100000000 ] - [ 0.0000000000000000, -0.0021429000000000, 0.0000709300000000 ] - [ -0.0007584900000000, 0.0015089200000000, -0.0001811000000000 ] - [ 0.0007584900000000, 0.0015089200000000, -0.0001811000000000 ] - [ 0.0000000000000000, 0.0021835100000000, -0.0001327500000000 ] - [ -0.0007593500000000, 0.0015067000000000, 0.0001038200000000 ] - [ 0.0007593500000000, 0.0015067000000000, 0.0001038200000000 ] - [ 0.0000000000000000, 0.0021810300000000, 0.0000951800000000 ] - [ 0.0000000000000000, -0.0021603600000000, 0.0000462300000000 ] - [ -0.0007843200000000, -0.0015042500000000, 0.0000299100000000 ] - [ 0.0007843200000000, -0.0015042500000000, 0.0000299100000000 ] - [ 0.0000000000000000, -0.0022057300000000, 0.0000458300000000 ] - [ -0.0007328500000000, -0.0015151200000000, 0.0000292800000000 ] - [ 0.0007328500000000, -0.0015151200000000, 0.0000292800000000 ] - [ -0.0013199700000000, 0.0004530900000000, 0.0027823800000000 ] - [ 0.0013199700000000, 0.0004530900000000, 0.0027823800000000 ] - [ 0.0000000000000000, -0.0006521100000000, 0.0008133900000000 ] - [ -0.0000055800000000, -0.0006325100000000, 0.0003728700000000 ] - [ 0.0000055800000000, -0.0006325100000000, 0.0003728700000000 ] - [ 0.0000000000000000, -0.0006543300000000, 0.0003921000000000 ] - [ 0.0000000000000000, 0.0005141800000000, -0.0009941600000000 ] - [ 0.0000602100000000, 0.0005997600000000, -0.0007049700000000 ] - [ -0.0000602100000000, 0.0005997600000000, -0.0007049700000000 ] - [ 0.0000000000000000, 0.0011359200000000, 0.0002573600000000 ] - [ -0.0002223100000000, 0.0008304100000000, -0.0005479000000000 ] - [ 0.0002223100000000, 0.0008304100000000, -0.0005479000000000 ] - [ 0.0000000000000000, 0.0001224400000000, 0.0012874200000000 ] - [ 0.0002275800000000, 0.0004476100000000, 0.0005532200000000 ] - [ -0.0002275800000000, 0.0004476100000000, 0.0005532200000000 ] - [ 0.0000000000000000, 0.0007770100000000, 0.0000924100000000 ] - [ -0.0000537200000000, 0.0006769200000000, 0.0003960700000000 ] - [ 0.0000537200000000, 0.0006769200000000, 0.0003960700000000 ] - [ 0.0012863100000000, -0.0016845200000000, 0.0016512200000000 ] - [ -0.0012863100000000, -0.0016845200000000, 0.0016512200000000 ] - [ 0.0000000000000000, -0.0006418600000000, -0.0002741700000000 ] - [ 0.0000131700000000, -0.0006509900000000, -0.0007306700000000 ] - [ -0.0000131700000000, -0.0006509900000000, -0.0007306700000000 ] - [ 0.0000000000000000, -0.0006413500000000, -0.0006969600000000 ] - [ 0.0000114700000000, -0.0003094700000000, 0.0004799000000000 ] - [ -0.0000114700000000, -0.0003094700000000, 0.0004799000000000 ] - [ 0.0000000000000000, -0.0003070900000000, 0.0003485500000000 ] - [ 0.0000073100000000, -0.0003118900000000, -0.0003327200000000 ] - [ -0.0000073100000000, -0.0003118900000000, -0.0003327200000000 ] - [ 0.0000000000000000, -0.0003047700000000, -0.0002572800000000 ] - [ 0.0000000000000000, 0.0004407400000000, -0.0002250400000000 ] - [ 0.0000616600000000, 0.0003804700000000, -0.0001345300000000 ] - [ -0.0000616600000000, 0.0003804700000000, -0.0001345300000000 ] - [ 0.0000000000000000, 0.0001650800000000, -0.0002238700000000 ] - [ -0.0000459000000000, 0.0002419000000000, -0.0001328000000000 ] - [ 0.0000459000000000, 0.0002419000000000, -0.0001328000000000 ] - [ 0.0000000000000000, -0.0003455300000000, 0.0010044600000000 ] - [ -0.0000705900000000, -0.0005287100000000, 0.0008811000000000 ] - [ 0.0000705900000000, -0.0005287100000000, 0.0008811000000000 ] - [ 0.0000000000000000, -0.0006958100000000, 0.0003306400000000 ] - [ 0.0000309900000000, -0.0006654900000000, 0.0003299200000000 ] - [ -0.0000309900000000, -0.0006654900000000, 0.0003299200000000 ] - [ -0.0000215200000000, 0.0006439200000000, -0.0006918700000000 ] - [ 0.0000215200000000, 0.0006439200000000, -0.0006918700000000 ] - [ 0.0000000000000000, 0.0006510000000000, -0.0006655600000000 ] - [ 0.0000891800000000, 0.0002957400000000, -0.0006312200000000 ] - [ -0.0000891800000000, 0.0002957400000000, -0.0006312200000000 ] - [ 0.0000000000000000, 0.0004541200000000, -0.0005265000000000 ] - [ -0.0000824400000000, 0.0009792600000000, 0.0004688900000000 ] - [ 0.0000824400000000, 0.0009792600000000, 0.0004688900000000 ] - [ 0.0000000000000000, 0.0008383700000000, 0.0005613400000000 ] - [ 0.0000279200000000, 0.0006313700000000, 0.0004082700000000 ] - [ -0.0000279200000000, 0.0006313700000000, 0.0004082700000000 ] - [ 0.0000000000000000, 0.0006404900000000, 0.0004238900000000 ] - [ 0.0000000000000000, -0.0009484200000000, -0.0000863200000000 ] - [ 0.0000774400000000, -0.0007504900000000, -0.0002187000000000 ] - [ -0.0000774400000000, -0.0007504900000000, -0.0002187000000000 ] - [ 0.0000000000000000, -0.0006013300000000, -0.0007623700000000 ] - [ -0.0000240100000000, -0.0006161400000000, -0.0007727300000000 ] - [ 0.0000240100000000, -0.0006161400000000, -0.0007727300000000 ] - [ 0.0000000000000000, -0.0003060200000000, 0.0009224800000000 ] - [ 0.0000067300000000, -0.0003148300000000, 0.0007545000000000 ] - [ -0.0000067300000000, -0.0003148300000000, 0.0007545000000000 ] - [ 0.0000000000000000, -0.0003044000000000, -0.0002652400000000 ] - [ 0.0000086700000000, -0.0003126100000000, -0.0002265000000000 ] - [ -0.0000086700000000, -0.0003126100000000, -0.0002265000000000 ] - [ -0.0003067500000000, 0.0000428200000000, -0.0002918100000000 ] - [ 0.0003067500000000, 0.0000428200000000, -0.0002918100000000 ] - [ 0.0000000000000000, 0.0002350900000000, -0.0000917700000000 ] - [ 0.0003241800000000, 0.0005802900000000, -0.0002900300000000 ] - [ -0.0003241800000000, 0.0005802900000000, -0.0002900300000000 ] - [ 0.0000000000000000, 0.0003711500000000, -0.0000905700000000 ] - [ -0.0000078100000000, 0.0017800000000000, -0.0018318300000000 ] - [ 0.0000078100000000, 0.0017800000000000, -0.0018318300000000 ] - [ 0.0000000000000000, 0.0017804600000000, -0.0003476100000000 ] - [ -0.0000110900000000, 0.0017837500000000, 0.0001645300000000 ] - [ 0.0000110900000000, 0.0017837500000000, 0.0001645300000000 ] - [ 0.0000000000000000, 0.0017814700000000, 0.0001321500000000 ] - [ 0.0000000000000000, -0.0012660600000000, 0.0009994900000000 ] - [ -0.0000867500000000, -0.0018277500000000, 0.0001333900000000 ] - [ 0.0000867500000000, -0.0018277500000000, 0.0001333900000000 ] - [ 0.0000000000000000, -0.0023024800000000, 0.0010004300000000 ] - [ 0.0000648600000000, -0.0017447000000000, 0.0001338700000000 ] - [ -0.0000648600000000, -0.0017447000000000, 0.0001338700000000 ] - [ 0.0000000000000000, 0.0017832400000000, -0.0004097400000000 ] - [ -0.0000133000000000, 0.0017849400000000, -0.0001056900000000 ] - [ 0.0000133000000000, 0.0017849400000000, -0.0001056900000000 ] - [ 0.0000000000000000, 0.0017817900000000, 0.0001999400000000 ] - [ -0.0000108600000000, 0.0017839800000000, 0.0001603700000000 ] - [ 0.0000108600000000, 0.0017839800000000, 0.0001603700000000 ] - [ 0.0000485600000000, -0.0018461100000000, 0.0001045800000000 ] - [ -0.0000485600000000, -0.0018461100000000, 0.0001045800000000 ] - [ 0.0000000000000000, -0.0018457400000000, 0.0000470600000000 ] - [ -0.0000710200000000, -0.0017256000000000, 0.0001038700000000 ] - [ 0.0000710200000000, -0.0017256000000000, 0.0001038700000000 ] - [ 0.0000000000000000, -0.0017219300000000, 0.0000466200000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000399300000000, -0.0000001000000000, 0.0000002000000000 ] - [ 0.0000083100000000, 0.0000023000000000, 0.0000151200000000 ] - [ -0.0000486000000000, -0.0000018800000000, -0.0000147200000000 ] - [ 0.0003229300000000, -0.0000003700000000, -0.0000006800000000 ] - [ -0.0001483100000000, 0.0000775000000000, -0.0000644600000000 ] - [ -0.0002077800000000, -0.0000757400000000, 0.0000652200000000 ] - [ 0.0001978500000000, 0.0000002700000000, 0.0000009800000000 ] - [ -0.0000697300000000, 0.0000513500000000, 0.0000804300000000 ] - [ -0.0001271400000000, -0.0000518100000000, -0.0000784400000000 ] - [ 0.0000759600000000, 0.0000002600000000, -0.0000007400000000 ] - [ -0.0000076400000000, -0.0000001400000000, -0.0000381100000000 ] - [ -0.0000660300000000, -0.0000008000000000, 0.0000368800000000 ] - [ 0.0000118700000000, -0.0000042600000000, 0.0000088600000000 ] - [ -0.0001228800000000, -0.0000005000000000, -0.0000001500000000 ] - [ 0.0000695500000000, 0.0000041500000000, -0.0000120200000000 ] - [ 0.0126246800000000, 0.0101151800000000, 0.0012916200000000 ] - [ -0.0056063500000000, -0.0000014700000000, 0.0000005600000000 ] - [ 0.0122279600000000, -0.0095378300000000, -0.0011069000000000 ] - [ 0.0004179800000000, 0.0006404700000000, 0.0018728400000000 ] - [ -0.0009030600000000, 0.0000000600000000, 0.0000017300000000 ] - [ 0.0004606000000000, -0.0006310600000000, -0.0018795600000000 ] - [ 0.0003023100000000, -0.0002238600000000, -0.0008906900000000 ] - [ -0.0005057200000000, -0.0000000500000000, -0.0000030300000000 ] - [ 0.0003589300000000, 0.0002237700000000, 0.0008886400000000 ] - [ 0.0003705600000000, 0.0011427900000000, -0.0013229900000000 ] - [ -0.0005557200000000, 0.0008730800000000, 0.0000014700000000 ] - [ 0.0033582900000000, 0.0031776400000000, 0.0012826900000000 ] - [ -0.0014979000000000, 0.0021859700000000, -0.0000101900000000 ] - [ -0.0000215400000000, 0.0008690700000000, -0.0000015100000000 ] - [ 0.0015193400000000, 0.0021759600000000, 0.0000084800000000 ] - [ 0.0000328000000000, -0.0008719700000000, 0.0000002700000000 ] - [ 0.0014911800000000, -0.0021458100000000, 0.0000582300000000 ] - [ -0.0015265700000000, -0.0022185700000000, -0.0000564600000000 ] - [ 0.0002708100000000, -0.0008694100000000, -0.0000003100000000 ] - [ 0.0013635900000000, -0.0019693800000000, -0.0002245500000000 ] - [ -0.0016552000000000, -0.0023944100000000, 0.0002260300000000 ] - [ 0.0004304800000000, 0.0008725100000000, -0.0000007300000000 ] - [ 0.0013298200000000, 0.0018689300000000, 0.0000746300000000 ] - [ -0.0016876200000000, 0.0024987200000000, -0.0000740400000000 ] - [ 0.0000203100000000, 0.0008682500000000, -0.0000014900000000 ] - [ 0.0014976700000000, 0.0021484500000000, -0.0000294700000000 ] - [ -0.0015201200000000, 0.0022146200000000, 0.0000259500000000 ] - [ -0.0014839000000000, -0.0022019800000000, 0.0000254900000000 ] - [ -0.0000494500000000, -0.0008693200000000, 0.0000010400000000 ] - [ 0.0015334300000000, -0.0021626800000000, -0.0000240000000000 ] - [ -0.0013842900000000, -0.0023071700000000, -0.0000851200000000 ] - [ -0.0002243300000000, -0.0008701300000000, 0.0000005400000000 ] - [ 0.0016312600000000, -0.0020561900000000, 0.0000871900000000 ] - [ -0.0504117500000000, -0.0011241200000000, 0.0003282000000000 ] - [ 0.0060338300000000, -0.0003041500000000, 0.0002410900000000 ] - [ 0.0059920100000000, -0.0009646000000000, 0.0008421900000000 ] - [ -0.0000595400000000, -0.0006213000000000, 0.0005577300000000 ] - [ 0.0000243300000000, -0.0006296200000000, 0.0005673100000000 ] - [ 0.0000399800000000, -0.0006390000000000, 0.0005249700000000 ] - [ -0.0000009200000000, 0.0006194700000000, -0.0005690800000000 ] - [ 0.0000194700000000, 0.0006207700000000, -0.0005560600000000 ] - [ -0.0000156800000000, 0.0006484700000000, -0.0005205900000000 ] - [ -0.0000420000000000, 0.0004531500000000, -0.0004382100000000 ] - [ 0.0001122200000000, 0.0006201500000000, -0.0005571100000000 ] - [ -0.0000572100000000, 0.0008156400000000, -0.0006529200000000 ] - [ -0.0000191400000000, 0.0005314700000000, 0.0004531400000000 ] - [ 0.0000571200000000, 0.0006207200000000, 0.0005563100000000 ] - [ -0.0000338200000000, 0.0007368800000000, 0.0006379100000000 ] - [ -0.0000185100000000, 0.0005968500000000, 0.0005806900000000 ] - [ 0.0000570900000000, 0.0006204300000000, 0.0005573500000000 ] - [ -0.0000343900000000, 0.0006705500000000, 0.0005095500000000 ] - [ -0.0010697500000000, -0.0006253600000000, -0.0005353400000000 ] - [ 0.0003921200000000, -0.0005749700000000, -0.0010184300000000 ] - [ 0.0004107100000000, -0.0006920100000000, -0.0000725200000000 ] - [ -0.0002417400000000, -0.0006203300000000, -0.0005564700000000 ] - [ 0.0001248900000000, -0.0006376100000000, -0.0004270200000000 ] - [ 0.0001400900000000, -0.0006302700000000, -0.0006626200000000 ] - [ -0.0001966100000000, -0.0003247100000000, -0.0000018200000000 ] - [ 0.0001355700000000, -0.0004663500000000, 0.0000006600000000 ] - [ 0.0001706600000000, -0.0001509900000000, -0.0000032400000000 ] - [ -0.0000191500000000, -0.0003236100000000, 0.0000001100000000 ] - [ -0.0000075900000000, -0.0003074700000000, 0.0000037600000000 ] - [ 0.0000265000000000, -0.0003070300000000, -0.0000046200000000 ] - [ -0.0000506200000000, 0.0003036300000000, -0.0002065700000000 ] - [ 0.0001873600000000, 0.0003241800000000, 0.0000008400000000 ] - [ -0.0000838700000000, 0.0003099900000000, 0.0002123300000000 ] - [ 0.0002643800000000, 0.0008600000000000, 0.0025877200000000 ] - [ 0.0006163800000000, 0.0003235200000000, 0.0000035700000000 ] - [ 0.0002319300000000, -0.0002457200000000, -0.0025798900000000 ] - [ -0.0000706900000000, -0.0005729800000000, 0.0005191100000000 ] - [ 0.0002250900000000, -0.0006196200000000, 0.0005544300000000 ] - [ -0.0000857400000000, -0.0006943500000000, 0.0005663600000000 ] - [ -0.0000020800000000, -0.0006268000000000, 0.0005487900000000 ] - [ 0.0000186700000000, -0.0006204600000000, 0.0005580300000000 ] - [ -0.0000162200000000, -0.0006412400000000, 0.0005435600000000 ] - [ -0.0000552000000000, 0.0006206700000000, -0.0005556600000000 ] - [ 0.0000481500000000, 0.0006094900000000, -0.0006183200000000 ] - [ 0.0000634100000000, 0.0006589100000000, -0.0004676400000000 ] - [ -0.0025445400000000, 0.0006116900000000, -0.0005606100000000 ] - [ 0.0051272000000000, 0.0029629200000000, 0.0006406800000000 ] - [ 0.0051261500000000, -0.0016913000000000, -0.0017302500000000 ] - [ -0.0003780200000000, 0.0006189200000000, 0.0005574200000000 ] - [ 0.0002662200000000, 0.0005584100000000, 0.0001833700000000 ] - [ 0.0002842500000000, 0.0007086900000000, 0.0009070000000000 ] - [ -0.0003778500000000, 0.0006203400000000, 0.0005572200000000 ] - [ 0.0002675100000000, 0.0007292700000000, 0.0009551200000000 ] - [ 0.0002827900000000, 0.0005388200000000, 0.0001384500000000 ] - [ -0.0000575500000000, -0.0005771200000000, -0.0005592000000000 ] - [ 0.0001498400000000, -0.0006196500000000, -0.0005554200000000 ] - [ -0.0000714300000000, -0.0006903300000000, -0.0005274900000000 ] - [ -0.0000037100000000, -0.0006227200000000, -0.0005399200000000 ] - [ 0.0000260200000000, -0.0006203100000000, -0.0005571800000000 ] - [ -0.0000189900000000, -0.0006457200000000, -0.0005513200000000 ] - [ 0.0019084000000000, 0.0032651700000000, -0.0037137500000000 ] - [ 0.0008559900000000, -0.0003235200000000, -0.0000032500000000 ] - [ 0.0018900300000000, -0.0038780700000000, 0.0037037300000000 ] - [ -0.0000515900000000, -0.0002758500000000, 0.0002059700000000 ] - [ 0.0001122000000000, -0.0003229300000000, -0.0000003900000000 ] - [ -0.0000849400000000, -0.0003394300000000, -0.0002065700000000 ] - [ -0.0000658000000000, 0.0003231900000000, 0.0000004400000000 ] - [ 0.0000147800000000, 0.0002901900000000, -0.0000263600000000 ] - [ 0.0000477800000000, 0.0003255200000000, 0.0000272600000000 ] - [ -0.0001143100000000, 0.0003229900000000, 0.0000012400000000 ] - [ 0.0000533200000000, 0.0002894600000000, 0.0000489600000000 ] - [ 0.0000885900000000, 0.0003244300000000, -0.0000463200000000 ] - [ 0.0040521700000000, 0.0017612800000000, 0.0000637600000000 ] - [ -0.0010387100000000, 0.0015435600000000, 0.0008869300000000 ] - [ -0.0010867600000000, 0.0020177300000000, -0.0008751300000000 ] - [ 0.0000470700000000, 0.0017873100000000, 0.0000006400000000 ] - [ 0.0000030900000000, 0.0017475800000000, -0.0000610800000000 ] - [ -0.0000406600000000, 0.0018181000000000, 0.0000628900000000 ] - [ -0.0000163500000000, -0.0017368300000000, 0.0000712700000000 ] - [ -0.0000163700000000, -0.0017875900000000, -0.0000011400000000 ] - [ 0.0000274500000000, -0.0018295700000000, -0.0000743400000000 ] - [ -0.0000012000000000, -0.0017226200000000, -0.0001100400000000 ] - [ -0.0000398000000000, -0.0017871700000000, -0.0000014000000000 ] - [ 0.0000421300000000, -0.0018442500000000, 0.0001079800000000 ] - [ 0.0000708700000000, 0.0017631600000000, 0.0000185500000000 ] - [ -0.0002175800000000, 0.0017870200000000, 0.0000017600000000 ] - [ 0.0001138900000000, 0.0018033400000000, -0.0000151500000000 ] - [ -0.0000190900000000, 0.0017779000000000, -0.0000053900000000 ] - [ -0.0000062000000000, 0.0017878800000000, 0.0000009000000000 ] - [ 0.0000247800000000, 0.0017899000000000, 0.0000079100000000 ] - [ 0.0000382800000000, -0.0017864300000000, -0.0000020700000000 ] - [ 0.0000333800000000, -0.0016490900000000, 0.0001374900000000 ] - [ -0.0000111000000000, -0.0019164100000000, -0.0001404700000000 ] - [ 0.0009328600000000, -0.0017879600000000, -0.0000015400000000 ] - [ -0.0004636800000000, -0.0015671900000000, -0.0005231400000000 ] - [ -0.0005091100000000, -0.0019973400000000, 0.0005156800000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0000203100000000, -0.0001085200000000 ] - [ 0.0000504300000000, -0.0000149700000000, -0.0000726500000000 ] - [ -0.0000504300000000, -0.0000149700000000, -0.0000726500000000 ] - [ 0.0000000000000000, -0.0008538400000000, 0.0000301400000000 ] - [ 0.0003897600000000, -0.0004462800000000, 0.0000429100000000 ] - [ -0.0003897600000000, -0.0004462800000000, 0.0000429100000000 ] - [ 0.0000000000000000, -0.0002632600000000, -0.0002675700000000 ] - [ 0.0001210300000000, -0.0001472800000000, -0.0001693100000000 ] - [ -0.0001210300000000, -0.0001472800000000, -0.0001693100000000 ] - [ 0.0000000000000000, -0.0001677600000000, 0.0001935800000000 ] - [ 0.0001245300000000, -0.0001024900000000, 0.0001350900000000 ] - [ -0.0001245300000000, -0.0001024900000000, 0.0001350900000000 ] - [ -0.0000085900000000, 0.0000182700000000, -0.0000477200000000 ] - [ 0.0000000000000000, 0.0000025200000000, 0.0000022200000000 ] - [ 0.0000085900000000, 0.0000182700000000, -0.0000477200000000 ] - [ 0.0122719000000000, 0.0180547800000000, 0.0034540100000000 ] - [ 0.0000000000000000, 0.0017376800000000, 0.0006270100000000 ] - [ -0.0122719000000000, 0.0180547800000000, 0.0034540100000000 ] - [ 0.0004622500000000, 0.0012997800000000, 0.0014970400000000 ] - [ 0.0000000000000000, 0.0003013200000000, 0.0001031900000000 ] - [ -0.0004622500000000, 0.0012997800000000, 0.0014970400000000 ] - [ -0.0001505300000000, 0.0001731000000000, -0.0001500500000000 ] - [ 0.0000000000000000, 0.0000537800000000, -0.0002419500000000 ] - [ 0.0001505300000000, 0.0001731000000000, -0.0001500500000000 ] - [ -0.0024892800000000, 0.0034045700000000, 0.0010459600000000 ] - [ 0.0000000000000000, 0.0010254100000000, -0.0000063200000000 ] - [ 0.0024892800000000, 0.0034045700000000, 0.0010459600000000 ] - [ -0.0015001400000000, 0.0022830600000000, 0.0000083200000000 ] - [ 0.0000000000000000, 0.0009647000000000, -0.0000078200000000 ] - [ 0.0015001400000000, 0.0022830600000000, 0.0000083200000000 ] - [ 0.0000000000000000, -0.0008361300000000, -0.0001312800000000 ] - [ 0.0015397300000000, -0.0020814700000000, -0.0000374600000000 ] - [ -0.0015397300000000, -0.0020814700000000, -0.0000374600000000 ] - [ 0.0000000000000000, -0.0009614600000000, 0.0005132100000000 ] - [ 0.0017638900000000, -0.0020350800000000, 0.0001918100000000 ] - [ -0.0017638900000000, -0.0020350800000000, 0.0001918100000000 ] - [ 0.0000000000000000, 0.0002007400000000, 0.0003014300000000 ] - [ 0.0014267600000000, 0.0017566000000000, 0.0001102700000000 ] - [ -0.0014267600000000, 0.0017566000000000, 0.0001102700000000 ] - [ 0.0000000000000000, 0.0007712900000000, -0.0000485500000000 ] - [ 0.0015038600000000, 0.0020957400000000, -0.0000257800000000 ] - [ -0.0015038600000000, 0.0020957400000000, -0.0000257800000000 ] - [ -0.0014991400000000, -0.0023053000000000, 0.0000068400000000 ] - [ 0.0000000000000000, -0.0009978300000000, 0.0000074600000000 ] - [ 0.0014991400000000, -0.0023053000000000, 0.0000068400000000 ] - [ -0.0016695100000000, -0.0026843800000000, -0.0003417100000000 ] - [ 0.0000000000000000, -0.0012073900000000, -0.0001915300000000 ] - [ 0.0016695100000000, -0.0026843800000000, -0.0003417100000000 ] - [ 0.0000000000000000, -0.0693768900000000, 0.0131592600000000 ] - [ -0.0003400700000000, -0.0022996900000000, 0.0004208700000000 ] - [ 0.0003400700000000, -0.0022996900000000, 0.0004208700000000 ] - [ 0.0000000000000000, -0.0006561000000000, 0.0005841400000000 ] - [ -0.0000131700000000, -0.0006624100000000, 0.0005830800000000 ] - [ 0.0000131700000000, -0.0006624100000000, 0.0005830800000000 ] - [ -0.0000067100000000, 0.0006167800000000, -0.0004689600000000 ] - [ 0.0000000000000000, 0.0005837200000000, -0.0005198600000000 ] - [ 0.0000067100000000, 0.0006167800000000, -0.0004689600000000 ] - [ -0.0001726300000000, 0.0013226800000000, -0.0008622400000000 ] - [ 0.0000000000000000, 0.0006722400000000, -0.0006364000000000 ] - [ 0.0001726300000000, 0.0013226800000000, -0.0008622400000000 ] - [ -0.0000286100000000, 0.0008112500000000, 0.0007609000000000 ] - [ 0.0000000000000000, 0.0006219400000000, 0.0006295600000000 ] - [ 0.0000286100000000, 0.0008112500000000, 0.0007609000000000 ] - [ -0.0000936300000000, 0.0008085500000000, 0.0003638000000000 ] - [ 0.0000000000000000, 0.0006210800000000, 0.0005181700000000 ] - [ 0.0000936300000000, 0.0008085500000000, 0.0003638000000000 ] - [ 0.0000000000000000, -0.0021170500000000, 0.0009236900000000 ] - [ -0.0000681200000000, -0.0012430700000000, -0.0006374400000000 ] - [ 0.0000681200000000, -0.0012430700000000, -0.0006374400000000 ] - [ 0.0000000000000000, -0.0007884700000000, -0.0005228300000000 ] - [ -0.0000043300000000, -0.0007170800000000, -0.0004529100000000 ] - [ 0.0000043300000000, -0.0007170800000000, -0.0004529100000000 ] - [ 0.0000000000000000, 0.0002162300000000, 0.0000714700000000 ] - [ -0.0002036800000000, 0.0000820800000000, -0.0000028000000000 ] - [ 0.0002036800000000, 0.0000820800000000, -0.0000028000000000 ] - [ 0.0000000000000000, -0.0003009400000000, -0.0000152500000000 ] - [ -0.0000289800000000, -0.0002959100000000, -0.0000144600000000 ] - [ 0.0000289800000000, -0.0002959100000000, -0.0000144600000000 ] - [ -0.0000554000000000, 0.0001580300000000, -0.0000884800000000 ] - [ 0.0000000000000000, 0.0002233400000000, -0.0000749800000000 ] - [ 0.0000554000000000, 0.0001580300000000, -0.0000884800000000 ] - [ -0.0001152200000000, -0.0007667600000000, 0.0005863400000000 ] - [ 0.0000000000000000, 0.0000135800000000, 0.0002054100000000 ] - [ 0.0001152200000000, -0.0007667600000000, 0.0005863400000000 ] - [ -0.0000521700000000, -0.0000777100000000, 0.0004910800000000 ] - [ 0.0000000000000000, -0.0001253200000000, 0.0004783700000000 ] - [ 0.0000521700000000, -0.0000777100000000, 0.0004910800000000 ] - [ 0.0000004800000000, -0.0005773000000000, 0.0005733700000000 ] - [ 0.0000000000000000, -0.0005679000000000, 0.0005777300000000 ] - [ -0.0000004800000000, -0.0005773000000000, 0.0005733700000000 ] - [ 0.0000000000000000, 0.0006193500000000, -0.0005855600000000 ] - [ -0.0000327000000000, 0.0006200500000000, -0.0005897400000000 ] - [ 0.0000327000000000, 0.0006200500000000, -0.0005897400000000 ] - [ 0.0000000000000000, 0.0067642300000000, 0.0028269700000000 ] - [ 0.0023163300000000, 0.0022495200000000, 0.0003377800000000 ] - [ -0.0023163300000000, 0.0022495200000000, 0.0003377800000000 ] - [ 0.0000000000000000, 0.0003543000000000, 0.0003470500000000 ] - [ 0.0000862000000000, 0.0004238600000000, 0.0002141000000000 ] - [ -0.0000862000000000, 0.0004238600000000, 0.0002141000000000 ] - [ 0.0000000000000000, 0.0003528500000000, 0.0009709400000000 ] - [ -0.0000832800000000, 0.0004228000000000, 0.0006789100000000 ] - [ 0.0000832800000000, 0.0004228000000000, 0.0006789100000000 ] - [ -0.0000487900000000, -0.0003364700000000, -0.0004944400000000 ] - [ 0.0000000000000000, -0.0003455900000000, -0.0005011100000000 ] - [ 0.0000487900000000, -0.0003364700000000, -0.0004944400000000 ] - [ -0.0000033300000000, -0.0004929300000000, -0.0005619200000000 ] - [ 0.0000000000000000, -0.0005066600000000, -0.0005872900000000 ] - [ 0.0000033300000000, -0.0004929300000000, -0.0005619200000000 ] - [ 0.0031506200000000, 0.0019599600000000, -0.0034641100000000 ] - [ 0.0000000000000000, -0.0008084300000000, -0.0000696000000000 ] - [ -0.0031506200000000, 0.0019599600000000, -0.0034641100000000 ] - [ -0.0000018900000000, -0.0003548500000000, 0.0000612200000000 ] - [ 0.0000000000000000, -0.0003306300000000, 0.0000732600000000 ] - [ 0.0000018900000000, -0.0003548500000000, 0.0000612200000000 ] - [ 0.0000000000000000, 0.0004256200000000, 0.0001577100000000 ] - [ -0.0000577400000000, 0.0003709300000000, 0.0001042000000000 ] - [ 0.0000577400000000, 0.0003709300000000, 0.0001042000000000 ] - [ 0.0000000000000000, 0.0006506700000000, -0.0002134500000000 ] - [ -0.0001619700000000, 0.0005929200000000, -0.0001829900000000 ] - [ 0.0001619700000000, 0.0005929200000000, -0.0001829900000000 ] - [ 0.0000000000000000, 0.0190345900000000, -0.0225404500000000 ] - [ -0.0005138000000000, 0.0027679500000000, -0.0001610700000000 ] - [ 0.0005138000000000, 0.0027679500000000, -0.0001610700000000 ] - [ 0.0000000000000000, 0.0018271700000000, -0.0000119800000000 ] - [ 0.0000234700000000, 0.0017914300000000, -0.0000332200000000 ] - [ -0.0000234700000000, 0.0017914300000000, -0.0000332200000000 ] - [ -0.0000030400000000, -0.0018480100000000, -0.0001649700000000 ] - [ 0.0000000000000000, -0.0017807200000000, -0.0000522000000000 ] - [ 0.0000030400000000, -0.0018480100000000, -0.0001649700000000 ] - [ -0.0000302500000000, -0.0020202900000000, 0.0003811600000000 ] - [ 0.0000000000000000, -0.0017928200000000, 0.0000585500000000 ] - [ 0.0000302500000000, -0.0020202900000000, 0.0003811600000000 ] - [ 0.0001375300000000, 0.0015046500000000, 0.0000520300000000 ] - [ 0.0000000000000000, 0.0015397900000000, 0.0000335300000000 ] - [ -0.0001375300000000, 0.0015046500000000, 0.0000520300000000 ] - [ -0.0000197700000000, 0.0017627600000000, -0.0000146000000000 ] - [ 0.0000000000000000, 0.0017756500000000, -0.0000142500000000 ] - [ 0.0000197700000000, 0.0017627600000000, -0.0000146000000000 ] - [ 0.0000000000000000, -0.0016622300000000, 0.0000378700000000 ] - [ 0.0001090100000000, -0.0016489100000000, 0.0001105600000000 ] - [ -0.0001090100000000, -0.0016489100000000, 0.0001105600000000 ] - [ 0.0000000000000000, -0.0005888000000000, -0.0010886500000000 ] - [ 0.0002005500000000, -0.0013421200000000, -0.0006698600000000 ] - [ -0.0002005500000000, -0.0013421200000000, -0.0006698600000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0000201100000000, 0.0001088300000000 ] - [ 0.0000067500000000, 0.0000154100000000, 0.0000739600000000 ] - [ -0.0000067500000000, 0.0000154100000000, 0.0000739600000000 ] - [ 0.0000000000000000, 0.0008586800000000, -0.0000316600000000 ] - [ -0.0003351600000000, 0.0004498200000000, -0.0000416600000000 ] - [ 0.0003351600000000, 0.0004498200000000, -0.0000416600000000 ] - [ 0.0000000000000000, 0.0002656800000000, 0.0002739400000000 ] - [ -0.0000649700000000, 0.0001485500000000, 0.0001731600000000 ] - [ 0.0000649700000000, 0.0001485500000000, 0.0001731600000000 ] - [ 0.0000000000000000, 0.0001707000000000, -0.0001991800000000 ] - [ -0.0000677500000000, 0.0001027400000000, -0.0001384700000000 ] - [ 0.0000677500000000, 0.0001027400000000, -0.0001384700000000 ] - [ -0.0000483200000000, -0.0000178600000000, 0.0000440100000000 ] - [ 0.0000000000000000, -0.0000024600000000, -0.0000014600000000 ] - [ 0.0000483200000000, -0.0000178600000000, 0.0000440100000000 ] - [ -0.0117955000000000, -0.0177429000000000, -0.0032848900000000 ] - [ 0.0000000000000000, -0.0017406300000000, -0.0006296800000000 ] - [ 0.0117955000000000, -0.0177429000000000, -0.0032848900000000 ] - [ -0.0005070900000000, -0.0012944100000000, -0.0015055300000000 ] - [ 0.0000000000000000, -0.0003031200000000, -0.0001016100000000 ] - [ 0.0005070900000000, -0.0012944100000000, -0.0015055300000000 ] - [ 0.0000913900000000, -0.0001741700000000, 0.0001538400000000 ] - [ 0.0000000000000000, -0.0000549100000000, 0.0002410700000000 ] - [ -0.0000913900000000, -0.0001741700000000, 0.0001538400000000 ] - [ -0.0004786800000000, 0.0009277800000000, -0.0010906100000000 ] - [ 0.0000000000000000, 0.0007210000000000, 0.0000047800000000 ] - [ 0.0004786800000000, 0.0009277800000000, -0.0010906100000000 ] - [ -0.0015172300000000, 0.0020878000000000, -0.0000106800000000 ] - [ 0.0000000000000000, 0.0007819900000000, 0.0000058300000000 ] - [ 0.0015172300000000, 0.0020878000000000, -0.0000106800000000 ] - [ 0.0000000000000000, -0.0009154300000000, 0.0001316600000000 ] - [ 0.0014779000000000, -0.0022923200000000, 0.0000395700000000 ] - [ -0.0014779000000000, -0.0022923200000000, 0.0000395700000000 ] - [ 0.0000000000000000, -0.0007913300000000, -0.0005003300000000 ] - [ 0.0012512000000000, -0.0023395900000000, -0.0001921900000000 ] - [ -0.0012512000000000, -0.0023395900000000, -0.0001921900000000 ] - [ 0.0000000000000000, 0.0015541000000000, -0.0003015900000000 ] - [ 0.0015902700000000, 0.0026205000000000, -0.0001111000000000 ] - [ -0.0015902700000000, 0.0026205000000000, -0.0001111000000000 ] - [ 0.0000000000000000, 0.0009761300000000, 0.0000458300000000 ] - [ 0.0015129600000000, 0.0022788600000000, 0.0000237600000000 ] - [ -0.0015129600000000, 0.0022788600000000, 0.0000237600000000 ] - [ -0.0015173900000000, -0.0020656500000000, -0.0000055900000000 ] - [ 0.0000000000000000, -0.0007478000000000, -0.0000057100000000 ] - [ 0.0015173900000000, -0.0020656500000000, -0.0000055900000000 ] - [ -0.0013486300000000, -0.0016870300000000, 0.0003420700000000 ] - [ 0.0000000000000000, -0.0005382000000000, 0.0001929200000000 ] - [ 0.0013486300000000, -0.0016870300000000, 0.0003420700000000 ] - [ 0.0000000000000000, 0.0673616100000000, -0.0117258600000000 ] - [ 0.0003213400000000, 0.0010503400000000, 0.0006643400000000 ] - [ -0.0003213400000000, 0.0010503400000000, 0.0006643400000000 ] - [ 0.0000000000000000, -0.0005738800000000, 0.0005286700000000 ] - [ -0.0000024500000000, -0.0005940900000000, 0.0005070600000000 ] - [ 0.0000024500000000, -0.0005940900000000, 0.0005070600000000 ] - [ 0.0000215400000000, 0.0006414900000000, -0.0006220800000000 ] - [ 0.0000000000000000, 0.0006479200000000, -0.0005937100000000 ] - [ -0.0000215400000000, 0.0006414900000000, -0.0006220800000000 ] - [ 0.0001891600000000, -0.0000697000000000, -0.0002232900000000 ] - [ 0.0000000000000000, 0.0005580000000000, -0.0004753500000000 ] - [ -0.0001891600000000, -0.0000697000000000, -0.0002232900000000 ] - [ 0.0000439600000000, 0.0004462600000000, 0.0003285500000000 ] - [ 0.0000000000000000, 0.0006096200000000, 0.0004825200000000 ] - [ -0.0000439600000000, 0.0004462600000000, 0.0003285500000000 ] - [ 0.0001106700000000, 0.0004457000000000, 0.0007255400000000 ] - [ 0.0000000000000000, 0.0006088300000000, 0.0005953200000000 ] - [ -0.0001106700000000, 0.0004457000000000, 0.0007255400000000 ] - [ 0.0000000000000000, 0.0008882500000000, -0.0019997100000000 ] - [ 0.0000499900000000, -0.0000095200000000, -0.0004511100000000 ] - [ -0.0000499900000000, -0.0000095200000000, -0.0004511100000000 ] - [ 0.0000000000000000, -0.0004397600000000, -0.0005896900000000 ] - [ -0.0000107700000000, -0.0005388200000000, -0.0006378400000000 ] - [ 0.0000107700000000, -0.0005388200000000, -0.0006378400000000 ] - [ 0.0000000000000000, -0.0008731400000000, -0.0000755300000000 ] - [ 0.0001686300000000, -0.0007053100000000, 0.0000000300000000 ] - [ -0.0001686300000000, -0.0007053100000000, 0.0000000300000000 ] - [ 0.0000000000000000, -0.0003502600000000, 0.0000153000000000 ] - [ -0.0000034900000000, -0.0003235800000000, 0.0000139600000000 ] - [ 0.0000034900000000, -0.0003235800000000, 0.0000139600000000 ] - [ 0.0000898300000000, 0.0004593700000000, 0.0000939600000000 ] - [ 0.0000000000000000, 0.0004284900000000, 0.0000772300000000 ] - [ -0.0000898300000000, 0.0004593700000000, 0.0000939600000000 ] - [ 0.0001410600000000, 0.0013820600000000, -0.0006002000000000 ] - [ 0.0000000000000000, 0.0006374600000000, -0.0002043000000000 ] - [ -0.0001410600000000, 0.0013820600000000, -0.0006002000000000 ] - [ 0.0000686000000000, -0.0011813500000000, 0.0005935300000000 ] - [ 0.0000000000000000, -0.0011071900000000, 0.0006331300000000 ] - [ -0.0000686000000000, -0.0011813500000000, 0.0005935300000000 ] - [ 0.0000140600000000, -0.0006808800000000, 0.0005177200000000 ] - [ 0.0000000000000000, -0.0006624200000000, 0.0005354600000000 ] - [ -0.0000140600000000, -0.0006808800000000, 0.0005177200000000 ] - [ 0.0000000000000000, 0.0006109600000000, -0.0005275600000000 ] - [ 0.0000170800000000, 0.0006365000000000, -0.0004973300000000 ] - [ -0.0000170800000000, 0.0006365000000000, -0.0004973300000000 ] - [ 0.0000000000000000, -0.0054450500000000, -0.0038950100000000 ] - [ -0.0023373300000000, -0.0009868700000000, -0.0014323900000000 ] - [ 0.0023373300000000, -0.0009868700000000, -0.0014323900000000 ] - [ 0.0000000000000000, 0.0008741000000000, 0.0007700400000000 ] - [ -0.0001042900000000, 0.0008326900000000, 0.0008764200000000 ] - [ 0.0001042900000000, 0.0008326900000000, 0.0008764200000000 ] - [ 0.0000000000000000, 0.0008743900000000, 0.0001415300000000 ] - [ 0.0000675000000000, 0.0008320900000000, 0.0004099200000000 ] - [ -0.0000675000000000, 0.0008320900000000, 0.0004099200000000 ] - [ 0.0000634500000000, -0.0009216100000000, -0.0005926800000000 ] - [ 0.0000000000000000, -0.0008863200000000, -0.0006121400000000 ] - [ -0.0000634500000000, -0.0009216100000000, -0.0005926800000000 ] - [ 0.0000185200000000, -0.0007655900000000, -0.0005279000000000 ] - [ 0.0000000000000000, -0.0007238600000000, -0.0005246600000000 ] - [ -0.0000185200000000, -0.0007655900000000, -0.0005279000000000 ] - [ -0.0030957000000000, -0.0025761900000000, 0.0034477900000000 ] - [ 0.0000000000000000, 0.0001573500000000, 0.0000682000000000 ] - [ 0.0030957000000000, -0.0025761900000000, 0.0034477900000000 ] - [ 0.0000358900000000, -0.0002655200000000, -0.0000639800000000 ] - [ 0.0000000000000000, -0.0003204900000000, -0.0000760200000000 ] - [ -0.0000358900000000, -0.0002655200000000, -0.0000639800000000 ] - [ 0.0000000000000000, 0.0002225000000000, -0.0001583800000000 ] - [ 0.0000254200000000, 0.0002473900000000, -0.0001040400000000 ] - [ -0.0000254200000000, 0.0002473900000000, -0.0001040400000000 ] - [ 0.0000000000000000, 0.0000008200000000, 0.0002177600000000 ] - [ 0.0001277300000000, 0.0000259400000000, 0.0001868400000000 ] - [ -0.0001277300000000, 0.0000259400000000, 0.0001868400000000 ] - [ 0.0000000000000000, -0.0153337100000000, 0.0219605100000000 ] - [ 0.0005637200000000, 0.0007938000000000, 0.0001646100000000 ] - [ -0.0005637200000000, 0.0007938000000000, 0.0001646100000000 ] - [ 0.0000000000000000, 0.0017455600000000, 0.0000134900000000 ] - [ 0.0000201200000000, 0.0017745200000000, 0.0000357100000000 ] - [ -0.0000201200000000, 0.0017745200000000, 0.0000357100000000 ] - [ -0.0000410900000000, -0.0017170900000000, 0.0001630700000000 ] - [ 0.0000000000000000, -0.0017936600000000, 0.0000503700000000 ] - [ 0.0000410900000000, -0.0017170900000000, 0.0001630700000000 ] - [ -0.0000137400000000, -0.0015439400000000, -0.0003866000000000 ] - [ 0.0000000000000000, -0.0017813800000000, -0.0000617000000000 ] - [ 0.0000137400000000, -0.0015439400000000, -0.0003866000000000 ] - [ -0.0001819200000000, 0.0020611300000000, -0.0000481300000000 ] - [ 0.0000000000000000, 0.0020343500000000, -0.0000300700000000 ] - [ 0.0001819200000000, 0.0020611300000000, -0.0000481300000000 ] - [ -0.0000241100000000, 0.0018024400000000, 0.0000167900000000 ] - [ 0.0000000000000000, 0.0017985100000000, 0.0000162200000000 ] - [ 0.0000241100000000, 0.0018024400000000, 0.0000167900000000 ] - [ 0.0000000000000000, -0.0019109000000000, -0.0000421800000000 ] - [ -0.0000645600000000, -0.0019161400000000, -0.0001136700000000 ] - [ 0.0000645600000000, -0.0019161400000000, -0.0001136700000000 ] - [ 0.0000000000000000, -0.0029753000000000, 0.0010929000000000 ] - [ -0.0001560300000000, -0.0022210200000000, 0.0006655400000000 ] - [ 0.0001560300000000, -0.0022210200000000, 0.0006655400000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000700500000000, -0.0003838200000000 ] - [ 0.0000537200000000, -0.0000585000000000, -0.0003599600000000 ] - [ -0.0000537200000000, -0.0000585000000000, -0.0003599600000000 ] - [ 0.0000000000000000, 0.0002133800000000, 0.0005888100000000 ] - [ -0.0001461800000000, 0.0001612900000000, 0.0005317800000000 ] - [ 0.0001461800000000, 0.0001612900000000, 0.0005317800000000 ] - [ 0.0000000000000000, -0.0000980200000000, 0.0000671700000000 ] - [ 0.0000942500000000, -0.0000286000000000, 0.0000424200000000 ] - [ -0.0000942500000000, -0.0000286000000000, 0.0000424200000000 ] - [ 0.0000000000000000, 0.0001043900000000, -0.0002148000000000 ] - [ -0.0000361700000000, 0.0000615500000000, -0.0001792400000000 ] - [ 0.0000361700000000, 0.0000615500000000, -0.0001792400000000 ] - [ -0.0000532300000000, -0.0000454300000000, -0.0011108800000000 ] - [ 0.0000000000000000, -0.0001705100000000, -0.0008232100000000 ] - [ 0.0000532300000000, -0.0000454300000000, -0.0011108800000000 ] - [ 0.0009824700000000, 0.0024018300000000, 0.0049518900000000 ] - [ 0.0000000000000000, 0.0005851500000000, 0.0012226400000000 ] - [ -0.0009824700000000, 0.0024018300000000, 0.0049518900000000 ] - [ 0.0022077900000000, 0.0008961500000000, -0.0019340700000000 ] - [ 0.0000000000000000, 0.0000160800000000, 0.0001893700000000 ] - [ -0.0022077900000000, 0.0008961500000000, -0.0019340700000000 ] - [ 0.0000757100000000, -0.0001166300000000, -0.0016159400000000 ] - [ 0.0000000000000000, 0.0003171100000000, -0.0005524500000000 ] - [ -0.0000757100000000, -0.0001166300000000, -0.0016159400000000 ] - [ -0.0027980900000000, 0.0032287600000000, 0.0022031400000000 ] - [ 0.0000000000000000, 0.0008377300000000, 0.0002682700000000 ] - [ 0.0027980900000000, 0.0032287600000000, 0.0022031400000000 ] - [ -0.0015155600000000, 0.0022490400000000, -0.0001798300000000 ] - [ 0.0000000000000000, 0.0009355500000000, -0.0001527000000000 ] - [ 0.0015155600000000, 0.0022490400000000, -0.0001798300000000 ] - [ 0.0000000000000000, -0.0012590500000000, -0.0004490300000000 ] - [ 0.0015661700000000, -0.0022996500000000, -0.0001528300000000 ] - [ -0.0015661700000000, -0.0022996500000000, -0.0001528300000000 ] - [ 0.0000000000000000, -0.0007624000000000, 0.0008000400000000 ] - [ 0.0012656300000000, -0.0019258500000000, 0.0000031800000000 ] - [ -0.0012656300000000, -0.0019258500000000, 0.0000031800000000 ] - [ 0.0000000000000000, 0.0012823600000000, 0.0004582800000000 ] - [ 0.0016161900000000, 0.0024178100000000, 0.0003305000000000 ] - [ -0.0016161900000000, 0.0024178100000000, 0.0003305000000000 ] - [ 0.0000000000000000, 0.0008086900000000, -0.0002165100000000 ] - [ 0.0015097200000000, 0.0021285000000000, -0.0002226300000000 ] - [ -0.0015097200000000, 0.0021285000000000, -0.0002226300000000 ] - [ -0.0014956600000000, -0.0020189900000000, -0.0001430900000000 ] - [ 0.0000000000000000, -0.0007168100000000, -0.0001215400000000 ] - [ 0.0014956600000000, -0.0020189900000000, -0.0001430900000000 ] - [ -0.0015917400000000, -0.0025310200000000, -0.0000780600000000 ] - [ 0.0000000000000000, -0.0011568600000000, 0.0000202700000000 ] - [ 0.0015917400000000, -0.0025310200000000, -0.0000780600000000 ] - [ 0.0000000000000000, 0.0113752800000000, -0.0588844700000000 ] - [ 0.0002878600000000, -0.0007508600000000, -0.0008005300000000 ] - [ -0.0002878600000000, -0.0007508600000000, -0.0008005300000000 ] - [ 0.0000000000000000, -0.0005911600000000, 0.0010355800000000 ] - [ -0.0000288500000000, -0.0005947200000000, 0.0009944400000000 ] - [ 0.0000288500000000, -0.0005947200000000, 0.0009944400000000 ] - [ -0.0000167900000000, 0.0007090600000000, -0.0003429600000000 ] - [ 0.0000000000000000, 0.0006560000000000, -0.0003894800000000 ] - [ 0.0000167900000000, 0.0007090600000000, -0.0003429600000000 ] - [ 0.0001151400000000, 0.0003108600000000, -0.0007800300000000 ] - [ 0.0000000000000000, 0.0005390300000000, -0.0007638900000000 ] - [ -0.0001151400000000, 0.0003108600000000, -0.0007800300000000 ] - [ -0.0000280100000000, 0.0008119700000000, 0.0006538800000000 ] - [ 0.0000000000000000, 0.0006581700000000, 0.0005960100000000 ] - [ 0.0000280100000000, 0.0008119700000000, 0.0006538800000000 ] - [ 0.0001005400000000, 0.0004154600000000, 0.0006527900000000 ] - [ 0.0000000000000000, 0.0005452200000000, 0.0005963800000000 ] - [ -0.0001005400000000, 0.0004154600000000, 0.0006527900000000 ] - [ 0.0000000000000000, -0.0020761500000000, 0.0061941500000000 ] - [ -0.0004808900000000, -0.0005371200000000, -0.0007011100000000 ] - [ 0.0004808900000000, -0.0005371200000000, -0.0007011100000000 ] - [ 0.0000000000000000, -0.0006514000000000, -0.0000016200000000 ] - [ 0.0001106700000000, -0.0007245400000000, -0.0000579400000000 ] - [ -0.0001106700000000, -0.0007245400000000, -0.0000579400000000 ] - [ 0.0000000000000000, -0.0001424700000000, -0.0003149100000000 ] - [ -0.0001048600000000, -0.0001286100000000, -0.0002945600000000 ] - [ 0.0001048600000000, -0.0001286100000000, -0.0002945600000000 ] - [ 0.0000000000000000, -0.0003322600000000, 0.0002533100000000 ] - [ -0.0000135600000000, -0.0003159800000000, 0.0002459900000000 ] - [ 0.0000135600000000, -0.0003159800000000, 0.0002459900000000 ] - [ -0.0002907600000000, 0.0001151900000000, 0.0009335300000000 ] - [ 0.0000000000000000, 0.0003916900000000, 0.0004116800000000 ] - [ 0.0002907600000000, 0.0001151900000000, 0.0009335300000000 ] - [ 0.0017574200000000, 0.0017119100000000, 0.0025472700000000 ] - [ 0.0000000000000000, 0.0003038700000000, -0.0001591000000000 ] - [ -0.0017574200000000, 0.0017119100000000, 0.0025472700000000 ] - [ 0.0000314100000000, -0.0006830700000000, 0.0001664900000000 ] - [ 0.0000000000000000, -0.0006970700000000, 0.0001765200000000 ] - [ -0.0000314100000000, -0.0006830700000000, 0.0001664900000000 ] - [ 0.0000042400000000, -0.0006043600000000, 0.0007531800000000 ] - [ 0.0000000000000000, -0.0005987700000000, 0.0007666100000000 ] - [ -0.0000042400000000, -0.0006043600000000, 0.0007531800000000 ] - [ 0.0000000000000000, 0.0005912800000000, -0.0000690900000000 ] - [ -0.0000828700000000, 0.0005861200000000, -0.0000510100000000 ] - [ 0.0000828700000000, 0.0005861200000000, -0.0000510100000000 ] - [ 0.0000000000000000, 0.0039770300000000, -0.0005780900000000 ] - [ 0.0011693300000000, 0.0015096400000000, -0.0003813800000000 ] - [ -0.0011693300000000, 0.0015096400000000, -0.0003813800000000 ] - [ 0.0000000000000000, 0.0002044700000000, 0.0010019800000000 ] - [ -0.0004163200000000, 0.0004972800000000, 0.0010655300000000 ] - [ 0.0004163200000000, 0.0004972800000000, 0.0010655300000000 ] - [ 0.0000000000000000, 0.0008322100000000, 0.0010011800000000 ] - [ 0.0003556500000000, 0.0009647000000000, 0.0010668300000000 ] - [ -0.0003556500000000, 0.0009647000000000, 0.0010668300000000 ] - [ -0.0000087600000000, -0.0006802600000000, -0.0006393000000000 ] - [ 0.0000000000000000, -0.0006745300000000, -0.0006006200000000 ] - [ 0.0000087600000000, -0.0006802600000000, -0.0006393000000000 ] - [ 0.0000129100000000, -0.0006157200000000, -0.0003829400000000 ] - [ 0.0000000000000000, -0.0005882800000000, -0.0003905100000000 ] - [ -0.0000129100000000, -0.0006157200000000, -0.0003829400000000 ] - [ -0.0032765900000000, -0.0038875900000000, 0.0011997200000000 ] - [ 0.0000000000000000, -0.0001038200000000, -0.0008142500000000 ] - [ 0.0032765900000000, -0.0038875900000000, 0.0011997200000000 ] - [ 0.0000347600000000, -0.0002611300000000, 0.0008420600000000 ] - [ 0.0000000000000000, -0.0003291700000000, 0.0005656300000000 ] - [ -0.0000347600000000, -0.0002611300000000, 0.0008420600000000 ] - [ 0.0000000000000000, 0.0003342500000000, 0.0001795200000000 ] - [ -0.0000459000000000, 0.0003003600000000, 0.0001645700000000 ] - [ 0.0000459000000000, 0.0003003600000000, 0.0001645700000000 ] - [ 0.0000000000000000, 0.0003705600000000, -0.0000902200000000 ] - [ 0.0000501100000000, 0.0003454700000000, -0.0000993400000000 ] - [ -0.0000501100000000, 0.0003454700000000, -0.0000993400000000 ] - [ 0.0000000000000000, -0.0157602400000000, 0.0329503500000000 ] - [ 0.0009769000000000, 0.0010473300000000, 0.0006476300000000 ] - [ -0.0009769000000000, 0.0010473300000000, 0.0006476300000000 ] - [ 0.0000000000000000, 0.0017694700000000, -0.0004198600000000 ] - [ 0.0000173600000000, 0.0017793400000000, -0.0003506300000000 ] - [ -0.0000173600000000, 0.0017793400000000, -0.0003506300000000 ] - [ -0.0000137200000000, -0.0018124800000000, -0.0001790800000000 ] - [ 0.0000000000000000, -0.0017633900000000, -0.0001108900000000 ] - [ 0.0000137200000000, -0.0018124800000000, -0.0001790800000000 ] - [ -0.0000438900000000, -0.0017392400000000, 0.0000184600000000 ] - [ 0.0000000000000000, -0.0018278900000000, 0.0000761000000000 ] - [ 0.0000438900000000, -0.0017392400000000, 0.0000184600000000 ] - [ 0.0000125600000000, 0.0017163500000000, 0.0002521600000000 ] - [ 0.0000000000000000, 0.0017441500000000, 0.0001978800000000 ] - [ -0.0000125600000000, 0.0017163500000000, 0.0002521600000000 ] - [ -0.0000235000000000, 0.0017870100000000, -0.0001859900000000 ] - [ 0.0000000000000000, 0.0017915400000000, -0.0001810400000000 ] - [ 0.0000235000000000, 0.0017870100000000, -0.0001859900000000 ] - [ 0.0000000000000000, -0.0016408400000000, -0.0005085200000000 ] - [ 0.0001223300000000, -0.0017293700000000, -0.0002503100000000 ] - [ -0.0001223300000000, -0.0017293700000000, -0.0002503100000000 ] - [ 0.0000000000000000, -0.0024447200000000, -0.0006524300000000 ] - [ -0.0007356200000000, -0.0024276800000000, 0.0003188700000000 ] - [ 0.0007356200000000, -0.0024276800000000, 0.0003188700000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000703100000000, 0.0003835700000000 ] - [ 0.0000036600000000, 0.0000584700000000, 0.0003615800000000 ] - [ -0.0000036600000000, 0.0000584700000000, 0.0003615800000000 ] - [ 0.0000000000000000, -0.0002116500000000, -0.0005896200000000 ] - [ 0.0002021100000000, -0.0001591400000000, -0.0005308900000000 ] - [ -0.0002021100000000, -0.0001591400000000, -0.0005308900000000 ] - [ 0.0000000000000000, 0.0000994900000000, -0.0000644000000000 ] - [ -0.0000378500000000, 0.0000288400000000, -0.0000419100000000 ] - [ 0.0000378500000000, 0.0000288400000000, -0.0000419100000000 ] - [ 0.0000000000000000, -0.0001026600000000, 0.0002128600000000 ] - [ 0.0000935300000000, -0.0000616100000000, 0.0001785800000000 ] - [ -0.0000935300000000, -0.0000616100000000, 0.0001785800000000 ] - [ -0.0000038000000000, 0.0000452600000000, 0.0011100100000000 ] - [ 0.0000000000000000, 0.0001707700000000, 0.0008248000000000 ] - [ 0.0000038000000000, 0.0000452600000000, 0.0011100100000000 ] - [ -0.0010653700000000, -0.0024395200000000, -0.0049916000000000 ] - [ 0.0000000000000000, -0.0005874600000000, -0.0012215000000000 ] - [ 0.0010653700000000, -0.0024395200000000, -0.0049916000000000 ] - [ -0.0022714400000000, -0.0008999800000000, 0.0019209000000000 ] - [ 0.0000000000000000, -0.0000154100000000, -0.0001933000000000 ] - [ 0.0022714400000000, -0.0008999800000000, 0.0019209000000000 ] - [ -0.0001308800000000, 0.0001144000000000, 0.0016134600000000 ] - [ 0.0000000000000000, -0.0003165500000000, 0.0005525800000000 ] - [ 0.0001308800000000, 0.0001144000000000, 0.0016134600000000 ] - [ -0.0001778700000000, 0.0010986600000000, -0.0022302100000000 ] - [ 0.0000000000000000, 0.0009101800000000, -0.0002708000000000 ] - [ 0.0001778700000000, 0.0010986600000000, -0.0022302100000000 ] - [ -0.0015020800000000, 0.0021213800000000, 0.0001780100000000 ] - [ 0.0000000000000000, 0.0008117400000000, 0.0001512200000000 ] - [ 0.0015020800000000, 0.0021213800000000, 0.0001780100000000 ] - [ 0.0000000000000000, -0.0004866500000000, 0.0004517600000000 ] - [ 0.0014515700000000, -0.0020703300000000, 0.0001549100000000 ] - [ -0.0014515700000000, -0.0020703300000000, 0.0001549100000000 ] - [ 0.0000000000000000, -0.0010208000000000, -0.0007437000000000 ] - [ 0.0017507800000000, -0.0024447800000000, -0.0000009500000000 ] - [ -0.0017507800000000, -0.0024447800000000, -0.0000009500000000 ] - [ 0.0000000000000000, 0.0004700300000000, -0.0004607300000000 ] - [ 0.0014015000000000, 0.0019564400000000, -0.0003326200000000 ] - [ -0.0014015000000000, 0.0019564400000000, -0.0003326200000000 ] - [ 0.0000000000000000, 0.0009361000000000, 0.0002143600000000 ] - [ 0.0015080800000000, 0.0022413700000000, 0.0002204700000000 ] - [ -0.0015080800000000, 0.0022413700000000, 0.0002204700000000 ] - [ -0.0015218200000000, -0.0023524400000000, 0.0001442200000000 ] - [ 0.0000000000000000, -0.0010295700000000, 0.0001232400000000 ] - [ 0.0015218200000000, -0.0023524400000000, 0.0001442200000000 ] - [ -0.0014258000000000, -0.0018368200000000, 0.0000824000000000 ] - [ 0.0000000000000000, -0.0005891200000000, -0.0000161700000000 ] - [ 0.0014258000000000, -0.0018368200000000, 0.0000824000000000 ] - [ 0.0000000000000000, -0.0135158600000000, 0.0615239900000000 ] - [ -0.0003131700000000, -0.0004997100000000, 0.0018899200000000 ] - [ 0.0003131700000000, -0.0004997100000000, 0.0018899200000000 ] - [ 0.0000000000000000, -0.0006364400000000, 0.0000794800000000 ] - [ 0.0000130800000000, -0.0006589600000000, 0.0000971700000000 ] - [ -0.0000130800000000, -0.0006589600000000, 0.0000971700000000 ] - [ 0.0000320500000000, 0.0005445400000000, -0.0007492200000000 ] - [ 0.0000000000000000, 0.0005721000000000, -0.0007254700000000 ] - [ -0.0000320500000000, 0.0005445400000000, -0.0007492200000000 ] - [ -0.0000985300000000, 0.0009399000000000, -0.0003097800000000 ] - [ 0.0000000000000000, 0.0006876200000000, -0.0003516200000000 ] - [ 0.0000985300000000, 0.0009399000000000, -0.0003097800000000 ] - [ 0.0000436200000000, 0.0004415800000000, 0.0004397000000000 ] - [ 0.0000000000000000, 0.0005699100000000, 0.0005194600000000 ] - [ -0.0000436200000000, 0.0004415800000000, 0.0004397000000000 ] - [ -0.0000838500000000, 0.0008350000000000, 0.0004368900000000 ] - [ 0.0000000000000000, 0.0006810700000000, 0.0005190700000000 ] - [ 0.0000838500000000, 0.0008350000000000, 0.0004368900000000 ] - [ 0.0000000000000000, 0.0008569800000000, -0.0073979800000000 ] - [ 0.0004648500000000, -0.0007155200000000, -0.0003856500000000 ] - [ -0.0004648500000000, -0.0007155200000000, -0.0003856500000000 ] - [ 0.0000000000000000, -0.0005745100000000, -0.0011129800000000 ] - [ -0.0001251100000000, -0.0005283200000000, -0.0010329000000000 ] - [ 0.0001251100000000, -0.0005283200000000, -0.0010329000000000 ] - [ 0.0000000000000000, -0.0005145200000000, 0.0003124000000000 ] - [ 0.0000675800000000, -0.0004942800000000, 0.0002932500000000 ] - [ -0.0000675800000000, -0.0004942800000000, 0.0002932500000000 ] - [ 0.0000000000000000, -0.0003195700000000, -0.0002537900000000 ] - [ -0.0000203900000000, -0.0003033800000000, -0.0002471200000000 ] - [ 0.0000203900000000, -0.0003033800000000, -0.0002471200000000 ] - [ 0.0003293500000000, 0.0005074600000000, -0.0009313100000000 ] - [ 0.0000000000000000, 0.0002629200000000, -0.0004082200000000 ] - [ -0.0003293500000000, 0.0005074600000000, -0.0009313100000000 ] - [ -0.0016944000000000, -0.0010701400000000, -0.0025183300000000 ] - [ 0.0000000000000000, 0.0003501100000000, 0.0001565500000000 ] - [ 0.0016944000000000, -0.0010701400000000, -0.0025183300000000 ] - [ -0.0000153200000000, -0.0005701500000000, 0.0009200900000000 ] - [ 0.0000000000000000, -0.0005311400000000, 0.0009384500000000 ] - [ 0.0000153200000000, -0.0005701500000000, 0.0009200900000000 ] - [ 0.0000103500000000, -0.0006495200000000, 0.0003404700000000 ] - [ 0.0000000000000000, -0.0006284900000000, 0.0003512000000000 ] - [ -0.0000103500000000, -0.0006495200000000, 0.0003404700000000 ] - [ 0.0000000000000000, 0.0006359200000000, -0.0010449900000000 ] - [ 0.0000681800000000, 0.0006677600000000, -0.0010365300000000 ] - [ -0.0000681800000000, 0.0006677600000000, -0.0010365300000000 ] - [ 0.0000000000000000, -0.0027537400000000, -0.0005590400000000 ] - [ -0.0012015900000000, -0.0002703100000000, -0.0007143000000000 ] - [ 0.0012015900000000, -0.0002703100000000, -0.0007143000000000 ] - [ 0.0000000000000000, 0.0010228500000000, 0.0001147200000000 ] - [ 0.0004004800000000, 0.0007557700000000, 0.0000262500000000 ] - [ -0.0004004800000000, 0.0007557700000000, 0.0000262500000000 ] - [ 0.0000000000000000, 0.0003968800000000, 0.0001139000000000 ] - [ -0.0003676500000000, 0.0002920200000000, 0.0000265700000000 ] - [ 0.0003676500000000, 0.0002920200000000, 0.0000265700000000 ] - [ 0.0000230100000000, -0.0005720200000000, -0.0004471200000000 ] - [ 0.0000000000000000, -0.0005525400000000, -0.0005143800000000 ] - [ -0.0000230100000000, -0.0005720200000000, -0.0004471200000000 ] - [ 0.0000024800000000, -0.0006384500000000, -0.0007105700000000 ] - [ 0.0000000000000000, -0.0006387700000000, -0.0007260900000000 ] - [ -0.0000024800000000, -0.0006384500000000, -0.0007105700000000 ] - [ 0.0033270200000000, 0.0032904300000000, -0.0012039600000000 ] - [ 0.0000000000000000, -0.0005507100000000, 0.0008161800000000 ] - [ -0.0033270200000000, 0.0032904300000000, -0.0012039600000000 ] - [ 0.0000000700000000, -0.0003593000000000, -0.0008430400000000 ] - [ 0.0000000000000000, -0.0003234000000000, -0.0005679900000000 ] - [ -0.0000000700000000, -0.0003593000000000, -0.0008430400000000 ] - [ 0.0000000000000000, 0.0003168800000000, -0.0001784500000000 ] - [ 0.0000126600000000, 0.0003200300000000, -0.0001631800000000 ] - [ -0.0000126600000000, 0.0003200300000000, -0.0001631800000000 ] - [ 0.0000000000000000, 0.0002832100000000, 0.0000926400000000 ] - [ -0.0000860900000000, 0.0002754000000000, 0.0001012500000000 ] - [ 0.0000860900000000, 0.0002754000000000, 0.0001012500000000 ] - [ 0.0000000000000000, 0.0203965700000000, -0.0343568900000000 ] - [ -0.0009314200000000, 0.0025183300000000, -0.0006471800000000 ] - [ 0.0009314200000000, 0.0025183300000000, -0.0006471800000000 ] - [ 0.0000000000000000, 0.0018047800000000, 0.0004219600000000 ] - [ 0.0000263700000000, 0.0017874500000000, 0.0003532300000000 ] - [ -0.0000263700000000, 0.0017874500000000, 0.0003532300000000 ] - [ -0.0000302000000000, -0.0017550600000000, 0.0001760100000000 ] - [ 0.0000000000000000, -0.0018128100000000, 0.0001084800000000 ] - [ 0.0000302000000000, -0.0017550600000000, 0.0001760100000000 ] - [ -0.0000001300000000, -0.0018289300000000, -0.0000205700000000 ] - [ 0.0000000000000000, -0.0017489100000000, -0.0000778100000000 ] - [ 0.0000001300000000, -0.0018289300000000, -0.0000205700000000 ] - [ -0.0000558000000000, 0.0018497800000000, -0.0002494100000000 ] - [ 0.0000000000000000, 0.0018306300000000, -0.0001954300000000 ] - [ 0.0000558000000000, 0.0018497800000000, -0.0002494100000000 ] - [ -0.0000204600000000, 0.0017804100000000, 0.0001890800000000 ] - [ 0.0000000000000000, 0.0017844500000000, 0.0001834400000000 ] - [ 0.0000204600000000, 0.0017804100000000, 0.0001890800000000 ] - [ 0.0000000000000000, -0.0019363000000000, 0.0005067700000000 ] - [ -0.0000799200000000, -0.0018389900000000, 0.0002461800000000 ] - [ 0.0000799200000000, -0.0018389900000000, 0.0002461800000000 ] - [ 0.0000000000000000, -0.0011360100000000, 0.0006559900000000 ] - [ 0.0007752700000000, -0.0011469700000000, -0.0003111100000000 ] - [ -0.0007752700000000, -0.0011469700000000, -0.0003111100000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003788200000000, 0.0000019300000000, -0.0000012400000000 ] - [ -0.0001295700000000, 0.0000067700000000, 0.0002696900000000 ] - [ -0.0001871000000000, -0.0000052000000000, -0.0002635900000000 ] - [ 0.0043553800000000, 0.0000219600000000, -0.0000439700000000 ] - [ -0.0012500800000000, -0.0006541200000000, -0.0011360700000000 ] - [ -0.0013193400000000, 0.0006566300000000, 0.0011331400000000 ] - [ 0.0043553800000000, 0.0000219600000000, 0.0000439700000000 ] - [ -0.0012500800000000, -0.0006541200000000, 0.0011360700000000 ] - [ -0.0013193400000000, 0.0006566300000000, -0.0011331400000000 ] - [ 0.0003788200000000, 0.0000019300000000, 0.0000012400000000 ] - [ -0.0001295700000000, 0.0000067700000000, -0.0002696900000000 ] - [ -0.0001871000000000, -0.0000052000000000, 0.0002635900000000 ] - [ 0.0000028100000000, 0.0000046900000000, 0.0000218200000000 ] - [ -0.0000621100000000, -0.0000005200000000, 0.0000010900000000 ] - [ 0.0000613100000000, -0.0000041700000000, -0.0000223500000000 ] - [ 0.0001533700000000, 0.0000042600000000, -0.0000472200000000 ] - [ -0.0003719700000000, -0.0000005700000000, -0.0000018300000000 ] - [ 0.0002074800000000, -0.0000035800000000, 0.0000436100000000 ] - [ 0.0001533700000000, 0.0000042600000000, 0.0000472200000000 ] - [ -0.0003719700000000, -0.0000005700000000, 0.0000018300000000 ] - [ 0.0002074800000000, -0.0000035800000000, -0.0000436100000000 ] - [ 0.0000028100000000, 0.0000046900000000, -0.0000218200000000 ] - [ -0.0000621100000000, -0.0000005200000000, -0.0000010900000000 ] - [ 0.0000613100000000, -0.0000041700000000, 0.0000223500000000 ] - [ 0.0008100100000000, 0.0051344400000000, 0.0000000000000000 ] - [ -0.0003931600000000, 0.0008761600000000, 0.0000000000000000 ] - [ 0.0037985900000000, -0.0006810000000000, 0.0000000000000000 ] - [ -0.0014986800000000, 0.0021536800000000, 0.0000000000000000 ] - [ -0.0000161300000000, 0.0008756600000000, 0.0000000000000000 ] - [ 0.0015193100000000, 0.0022208400000000, 0.0000000000000000 ] - [ 0.0001711400000000, -0.0008770500000000, -0.0000000500000000 ] - [ 0.0014270700000000, -0.0022677300000000, 0.0000534100000000 ] - [ -0.0015918200000000, -0.0021083600000000, -0.0000533800000000 ] - [ 0.0001711400000000, -0.0008770500000000, 0.0000000500000000 ] - [ 0.0014270700000000, -0.0022677300000000, -0.0000534100000000 ] - [ -0.0015918200000000, -0.0021083600000000, 0.0000533800000000 ] - [ 0.0007043000000000, 0.0008773800000000, 0.0000000000000000 ] - [ 0.0010333700000000, 0.0027116700000000, 0.0000000000000000 ] - [ -0.0019852300000000, 0.0016657400000000, 0.0000000000000000 ] - [ 0.0000143300000000, 0.0008744500000000, 0.0000000000000000 ] - [ 0.0015020700000000, 0.0021842300000000, 0.0000000000000000 ] - [ -0.0015161600000000, 0.0021883100000000, 0.0000000000000000 ] - [ -0.0014069700000000, -0.0019973400000000, 0.0003148300000000 ] - [ -0.0001376700000000, -0.0008761000000000, 0.0000002500000000 ] - [ 0.0016106900000000, -0.0023787200000000, -0.0003149200000000 ] - [ -0.0014069700000000, -0.0019973400000000, -0.0003148300000000 ] - [ -0.0001376700000000, -0.0008761000000000, -0.0000002500000000 ] - [ 0.0016106900000000, -0.0023787200000000, 0.0003149200000000 ] - [ -0.0001968600000000, -0.0006111800000000, 0.0005555500000000 ] - [ 0.0001453400000000, -0.0004367900000000, 0.0006263600000000 ] - [ 0.0001613300000000, -0.0008085200000000, 0.0004550000000000 ] - [ -0.0000195500000000, -0.0006110700000000, 0.0005565900000000 ] - [ 0.0000017500000000, -0.0006135700000000, 0.0005423700000000 ] - [ 0.0000180200000000, -0.0006361600000000, 0.0005469900000000 ] - [ -0.0000597000000000, 0.0005483500000000, -0.0008515600000000 ] - [ 0.0001873200000000, 0.0006100500000000, -0.0005551900000000 ] - [ -0.0000748500000000, 0.0006958800000000, -0.0002329300000000 ] - [ 0.0002552900000000, 0.0004927300000000, 0.0011891600000000 ] - [ 0.0006162000000000, 0.0006095400000000, -0.0005541800000000 ] - [ 0.0002410300000000, 0.0007505300000000, -0.0022644400000000 ] - [ 0.0002552900000000, 0.0004927300000000, -0.0011891600000000 ] - [ 0.0006162000000000, 0.0006095400000000, 0.0005541800000000 ] - [ 0.0002410300000000, 0.0007505300000000, 0.0022644400000000 ] - [ -0.0000597000000000, 0.0005483500000000, 0.0008515600000000 ] - [ 0.0001873200000000, 0.0006100500000000, 0.0005551900000000 ] - [ -0.0000748500000000, 0.0006958800000000, 0.0002329300000000 ] - [ -0.0001968600000000, -0.0006111800000000, -0.0005555500000000 ] - [ 0.0001453400000000, -0.0004367900000000, -0.0006263600000000 ] - [ 0.0001613300000000, -0.0008085200000000, -0.0004550000000000 ] - [ -0.0000195500000000, -0.0006110700000000, -0.0005565900000000 ] - [ 0.0000017500000000, -0.0006135700000000, -0.0005423700000000 ] - [ 0.0000180200000000, -0.0006361600000000, -0.0005469900000000 ] - [ -0.0601451700000000, 0.0002598700000000, 0.0000000000000000 ] - [ 0.0057363800000000, -0.0012504000000000, 0.0000000000000000 ] - [ 0.0057043000000000, 0.0006148300000000, 0.0000000000000000 ] - [ -0.0002562700000000, -0.0003253800000000, 0.0000000000000000 ] - [ 0.0000695500000000, -0.0003154600000000, 0.0000000000000000 ] - [ 0.0001060600000000, -0.0002997200000000, 0.0000000000000000 ] - [ -0.0000265700000000, 0.0003098000000000, -0.0000218700000000 ] - [ 0.0001016200000000, 0.0003270800000000, -0.0000004300000000 ] - [ -0.0000637800000000, 0.0003102100000000, 0.0000215600000000 ] - [ -0.0000265700000000, 0.0003098000000000, 0.0000218700000000 ] - [ 0.0001016200000000, 0.0003270800000000, 0.0000004300000000 ] - [ -0.0000637800000000, 0.0003102100000000, -0.0000215600000000 ] - [ 0.0019068300000000, -0.0037553900000000, 0.0038493700000000 ] - [ 0.0008559700000000, -0.0006120700000000, 0.0005568500000000 ] - [ 0.0018919000000000, 0.0024901600000000, -0.0027568200000000 ] - [ -0.0000607600000000, -0.0006058600000000, 0.0005302800000000 ] - [ 0.0001116900000000, -0.0006120700000000, 0.0005604300000000 ] - [ -0.0000754900000000, -0.0006428700000000, 0.0005639500000000 ] - [ -0.0000655700000000, 0.0006116600000000, -0.0005574600000000 ] - [ 0.0000232000000000, 0.0005825400000000, -0.0005731800000000 ] - [ 0.0000393600000000, 0.0006660600000000, -0.0005138900000000 ] - [ -0.0001146800000000, 0.0006117300000000, -0.0005574100000000 ] - [ 0.0000628000000000, 0.0004810400000000, -0.0004769000000000 ] - [ 0.0000793900000000, 0.0007680500000000, -0.0006106700000000 ] - [ -0.0001146800000000, 0.0006117300000000, 0.0005574100000000 ] - [ 0.0000628000000000, 0.0004810400000000, 0.0004769000000000 ] - [ 0.0000793900000000, 0.0007680500000000, 0.0006106700000000 ] - [ -0.0000655700000000, 0.0006116600000000, 0.0005574600000000 ] - [ 0.0000232000000000, 0.0005825400000000, 0.0005731800000000 ] - [ 0.0000393600000000, 0.0006660600000000, 0.0005138900000000 ] - [ 0.0019068300000000, -0.0037553900000000, -0.0038493700000000 ] - [ 0.0008559700000000, -0.0006120700000000, -0.0005568500000000 ] - [ 0.0018919000000000, 0.0024901600000000, 0.0027568200000000 ] - [ -0.0000607600000000, -0.0006058600000000, -0.0005302800000000 ] - [ 0.0001116900000000, -0.0006120700000000, -0.0005604300000000 ] - [ -0.0000754900000000, -0.0006428700000000, -0.0005639500000000 ] - [ -0.0000629300000000, -0.0003435000000000, 0.0000000000000000 ] - [ 0.0001611300000000, -0.0003297300000000, 0.0000000000000000 ] - [ -0.0001015900000000, -0.0002808700000000, 0.0000000000000000 ] - [ 0.0000065400000000, -0.0003101300000000, 0.0000000000000000 ] - [ 0.0000226800000000, -0.0003261700000000, 0.0000000000000000 ] - [ -0.0000275600000000, -0.0003111700000000, 0.0000000000000000 ] - [ -0.0003530200000000, 0.0003299800000000, 0.0000048400000000 ] - [ 0.0002930200000000, 0.0003328400000000, -0.0004342600000000 ] - [ 0.0003291900000000, 0.0002912800000000, 0.0004324400000000 ] - [ -0.0003530200000000, 0.0003299800000000, -0.0000048400000000 ] - [ 0.0002930200000000, 0.0003328400000000, 0.0004342600000000 ] - [ 0.0003291900000000, 0.0002912800000000, -0.0004324400000000 ] - [ 0.0001291100000000, 0.0017860500000000, 0.0000000000000000 ] - [ -0.0000473300000000, 0.0016702500000000, 0.0000000000000000 ] - [ -0.0000907700000000, 0.0018929600000000, 0.0000000000000000 ] - [ 0.0000051200000000, 0.0017866300000000, 0.0000000000000000 ] - [ 0.0000191700000000, 0.0017745700000000, 0.0000000000000000 ] - [ -0.0000244800000000, 0.0017898300000000, 0.0000000000000000 ] - [ 0.0003221800000000, -0.0012995900000000, 0.0004611000000000 ] - [ -0.0002975800000000, -0.0017859900000000, 0.0000004600000000 ] - [ 0.0003635100000000, -0.0022629200000000, -0.0004621600000000 ] - [ 0.0003221800000000, -0.0012995900000000, -0.0004611000000000 ] - [ -0.0002975800000000, -0.0017859900000000, -0.0000004600000000 ] - [ 0.0003635100000000, -0.0022629200000000, 0.0004621600000000 ] - [ 0.0153966500000000, -0.0089223500000000, 0.0000000000000000 ] - [ -0.0022984400000000, 0.0017972300000000, 0.0000000000000000 ] - [ 0.0146979400000000, 0.0118127000000000, 0.0000000000000000 ] - [ -0.0000009600000000, 0.0017712500000000, 0.0000000000000000 ] - [ -0.0000374800000000, 0.0017866200000000, 0.0000000000000000 ] - [ 0.0000431400000000, 0.0017936600000000, 0.0000000000000000 ] - [ 0.0000281500000000, -0.0017861300000000, 0.0000001400000000 ] - [ 0.0000085200000000, -0.0017331800000000, 0.0000781300000000 ] - [ -0.0000353600000000, -0.0018305000000000, -0.0000778200000000 ] - [ 0.0000281500000000, -0.0017861300000000, -0.0000001400000000 ] - [ 0.0000085200000000, -0.0017331800000000, -0.0000781300000000 ] - [ -0.0000353600000000, -0.0018305000000000, 0.0000778200000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0002822400000000, -0.0001802800000000 ] - [ -0.0000561500000000, 0.0000696600000000, -0.0000431200000000 ] - [ 0.0000561500000000, 0.0000696600000000, -0.0000431200000000 ] - [ 0.0000000000000000, 0.0072240700000000, -0.0097456200000000 ] - [ 0.0007142500000000, 0.0018867300000000, 0.0001993800000000 ] - [ -0.0007142500000000, 0.0018867300000000, 0.0001993800000000 ] - [ 0.0000000000000000, 0.0072240700000000, 0.0097456200000000 ] - [ 0.0007142500000000, 0.0018867300000000, -0.0001993800000000 ] - [ -0.0007142500000000, 0.0018867300000000, -0.0001993800000000 ] - [ 0.0000000000000000, 0.0002822400000000, 0.0001802800000000 ] - [ -0.0000561500000000, 0.0000696600000000, 0.0000431200000000 ] - [ 0.0000561500000000, 0.0000696600000000, 0.0000431200000000 ] - [ -0.0000118700000000, -0.0000431100000000, 0.0000312100000000 ] - [ 0.0000000000000000, -0.0000225600000000, 0.0000346900000000 ] - [ 0.0000118700000000, -0.0000431100000000, 0.0000312100000000 ] - [ -0.0001098400000000, -0.0004104500000000, -0.0002032400000000 ] - [ 0.0000000000000000, -0.0003232200000000, -0.0001522600000000 ] - [ 0.0001098400000000, -0.0004104500000000, -0.0002032400000000 ] - [ -0.0001098400000000, -0.0004104500000000, 0.0002032400000000 ] - [ 0.0000000000000000, -0.0003232200000000, 0.0001522600000000 ] - [ 0.0001098400000000, -0.0004104500000000, 0.0002032400000000 ] - [ -0.0000118700000000, -0.0000431100000000, -0.0000312100000000 ] - [ 0.0000000000000000, -0.0000225600000000, -0.0000346900000000 ] - [ 0.0000118700000000, -0.0000431100000000, -0.0000312100000000 ] - [ 0.0011922900000000, 0.0054731300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0008654300000000, 0.0000000000000000 ] - [ -0.0011922900000000, 0.0054731300000000, 0.0000000000000000 ] - [ -0.0015141800000000, 0.0021820100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0008925700000000, 0.0000000000000000 ] - [ 0.0015141800000000, 0.0021820100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0009318500000000, 0.0001380400000000 ] - [ 0.0014546800000000, -0.0022057000000000, 0.0000687100000000 ] - [ -0.0014546800000000, -0.0022057000000000, 0.0000687100000000 ] - [ 0.0000000000000000, -0.0009318500000000, -0.0001380400000000 ] - [ 0.0014546800000000, -0.0022057000000000, -0.0000687100000000 ] - [ -0.0014546800000000, -0.0022057000000000, -0.0000687100000000 ] - [ 0.0000000000000000, 0.0000587600000000, 0.0000000000000000 ] - [ 0.0018638300000000, 0.0016952000000000, 0.0000000000000000 ] - [ -0.0018638300000000, 0.0016952000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0008520800000000, 0.0000000000000000 ] - [ 0.0015175700000000, 0.0021631400000000, 0.0000000000000000 ] - [ -0.0015175700000000, 0.0021631400000000, 0.0000000000000000 ] - [ -0.0015154600000000, -0.0023896200000000, -0.0002691400000000 ] - [ 0.0000000000000000, -0.0009304600000000, -0.0000682100000000 ] - [ 0.0015154600000000, -0.0023896200000000, -0.0002691400000000 ] - [ -0.0015154600000000, -0.0023896200000000, 0.0002691400000000 ] - [ 0.0000000000000000, -0.0009304600000000, 0.0000682100000000 ] - [ 0.0015154600000000, -0.0023896200000000, 0.0002691400000000 ] - [ 0.0000000000000000, -0.0000752900000000, 0.0007387700000000 ] - [ 0.0001507500000000, -0.0002417800000000, 0.0007268000000000 ] - [ -0.0001507500000000, -0.0002417800000000, 0.0007268000000000 ] - [ 0.0000000000000000, -0.0005983300000000, 0.0005483100000000 ] - [ -0.0000074500000000, -0.0006244600000000, 0.0005380500000000 ] - [ 0.0000074500000000, -0.0006244600000000, 0.0005380500000000 ] - [ 0.0000039900000000, 0.0004854700000000, -0.0007389200000000 ] - [ 0.0000000000000000, 0.0005186700000000, -0.0004870800000000 ] - [ -0.0000039900000000, 0.0004854700000000, -0.0007389200000000 ] - [ 0.0005606100000000, -0.0004435800000000, 0.0008507100000000 ] - [ 0.0000000000000000, 0.0003089200000000, -0.0005755900000000 ] - [ -0.0005606100000000, -0.0004435800000000, 0.0008507100000000 ] - [ 0.0005606100000000, -0.0004435800000000, -0.0008507100000000 ] - [ 0.0000000000000000, 0.0003089200000000, 0.0005755900000000 ] - [ -0.0005606100000000, -0.0004435800000000, -0.0008507100000000 ] - [ 0.0000039900000000, 0.0004854700000000, 0.0007389200000000 ] - [ 0.0000000000000000, 0.0005186700000000, 0.0004870800000000 ] - [ -0.0000039900000000, 0.0004854700000000, 0.0007389200000000 ] - [ 0.0000000000000000, -0.0000752900000000, -0.0007387700000000 ] - [ 0.0001507500000000, -0.0002417800000000, -0.0007268000000000 ] - [ -0.0001507500000000, -0.0002417800000000, -0.0007268000000000 ] - [ 0.0000000000000000, -0.0005983300000000, -0.0005483100000000 ] - [ -0.0000074500000000, -0.0006244600000000, -0.0005380500000000 ] - [ 0.0000074500000000, -0.0006244600000000, -0.0005380500000000 ] - [ 0.0000000000000000, -0.0613173200000000, 0.0000000000000000 ] - [ 0.0009074500000000, -0.0014872200000000, 0.0000000000000000 ] - [ -0.0009074500000000, -0.0014872200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004894300000000, 0.0000000000000000 ] - [ -0.0000098000000000, -0.0003473700000000, 0.0000000000000000 ] - [ 0.0000098000000000, -0.0003473700000000, 0.0000000000000000 ] - [ 0.0000193100000000, 0.0003881600000000, -0.0000657900000000 ] - [ 0.0000000000000000, 0.0004085900000000, -0.0000612700000000 ] - [ -0.0000193100000000, 0.0003881600000000, -0.0000657900000000 ] - [ 0.0000193100000000, 0.0003881600000000, 0.0000657900000000 ] - [ 0.0000000000000000, 0.0004085900000000, 0.0000612700000000 ] - [ -0.0000193100000000, 0.0003881600000000, 0.0000657900000000 ] - [ -0.0035507600000000, 0.0016264900000000, -0.0030347700000000 ] - [ 0.0000000000000000, -0.0011046200000000, 0.0007781600000000 ] - [ 0.0035507600000000, 0.0016264900000000, -0.0030347700000000 ] - [ -0.0000248100000000, -0.0006812600000000, 0.0005937700000000 ] - [ 0.0000000000000000, -0.0006288100000000, 0.0005546800000000 ] - [ 0.0000248100000000, -0.0006812600000000, 0.0005937700000000 ] - [ 0.0000000000000000, 0.0007250300000000, -0.0005477700000000 ] - [ -0.0000253400000000, 0.0006978500000000, -0.0005516000000000 ] - [ 0.0000253400000000, 0.0006978500000000, -0.0005516000000000 ] - [ 0.0000000000000000, 0.0009485200000000, -0.0005113700000000 ] - [ -0.0000252100000000, 0.0009204500000000, -0.0005055400000000 ] - [ 0.0000252100000000, 0.0009204500000000, -0.0005055400000000 ] - [ 0.0000000000000000, 0.0009485200000000, 0.0005113700000000 ] - [ -0.0000252100000000, 0.0009204500000000, 0.0005055400000000 ] - [ 0.0000252100000000, 0.0009204500000000, 0.0005055400000000 ] - [ 0.0000000000000000, 0.0007250300000000, 0.0005477700000000 ] - [ -0.0000253400000000, 0.0006978500000000, 0.0005516000000000 ] - [ 0.0000253400000000, 0.0006978500000000, 0.0005516000000000 ] - [ -0.0035507600000000, 0.0016264900000000, 0.0030347700000000 ] - [ 0.0000000000000000, -0.0011046200000000, -0.0007781600000000 ] - [ 0.0035507600000000, 0.0016264900000000, 0.0030347700000000 ] - [ -0.0000248100000000, -0.0006812600000000, -0.0005937700000000 ] - [ 0.0000000000000000, -0.0006288100000000, -0.0005546800000000 ] - [ 0.0000248100000000, -0.0006812600000000, -0.0005937700000000 ] - [ 0.0000464500000000, -0.0000762200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001222000000000, 0.0000000000000000 ] - [ -0.0000464500000000, -0.0000762200000000, 0.0000000000000000 ] - [ 0.0000155400000000, -0.0002943300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003146200000000, 0.0000000000000000 ] - [ -0.0000155400000000, -0.0002943300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004108200000000, 0.0008442500000000 ] - [ 0.0000059400000000, -0.0000633500000000, 0.0001109700000000 ] - [ -0.0000059400000000, -0.0000633500000000, 0.0001109700000000 ] - [ 0.0000000000000000, 0.0004108200000000, -0.0008442500000000 ] - [ 0.0000059400000000, -0.0000633500000000, -0.0001109700000000 ] - [ -0.0000059400000000, -0.0000633500000000, -0.0001109700000000 ] - [ 0.0000000000000000, 0.0015065000000000, 0.0000000000000000 ] - [ -0.0000049400000000, 0.0015939900000000, 0.0000000000000000 ] - [ 0.0000049400000000, 0.0015939900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0017765500000000, 0.0000000000000000 ] - [ 0.0000236000000000, 0.0017775600000000, 0.0000000000000000 ] - [ -0.0000236000000000, 0.0017775600000000, 0.0000000000000000 ] - [ 0.0003089500000000, -0.0011311300000000, 0.0003471300000000 ] - [ 0.0000000000000000, -0.0016831400000000, 0.0000972200000000 ] - [ -0.0003089500000000, -0.0011311300000000, 0.0003471300000000 ] - [ 0.0003089500000000, -0.0011311300000000, -0.0003471300000000 ] - [ 0.0000000000000000, -0.0016831400000000, -0.0000972200000000 ] - [ -0.0003089500000000, -0.0011311300000000, -0.0003471300000000 ] - [ -0.0129889100000000, 0.0167038500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0027240300000000, 0.0000000000000000 ] - [ 0.0129889100000000, 0.0167038500000000, 0.0000000000000000 ] - [ -0.0000482000000000, 0.0018380700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0017868800000000, 0.0000000000000000 ] - [ 0.0000482000000000, 0.0018380700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0018651900000000, -0.0000121800000000 ] - [ 0.0000182600000000, -0.0018377800000000, -0.0000188400000000 ] - [ -0.0000182600000000, -0.0018377800000000, -0.0000188400000000 ] - [ 0.0000000000000000, -0.0018651900000000, 0.0000121800000000 ] - [ 0.0000182600000000, -0.0018377800000000, 0.0000188400000000 ] - [ -0.0000182600000000, -0.0018377800000000, 0.0000188400000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0002794300000000, 0.0001823500000000 ] - [ 0.0001127100000000, -0.0000703800000000, 0.0000460700000000 ] - [ -0.0001127100000000, -0.0000703800000000, 0.0000460700000000 ] - [ 0.0000000000000000, -0.0071157200000000, 0.0098269000000000 ] - [ -0.0006591600000000, -0.0018817900000000, -0.0001924900000000 ] - [ 0.0006591600000000, -0.0018817900000000, -0.0001924900000000 ] - [ 0.0000000000000000, -0.0071157200000000, -0.0098269000000000 ] - [ -0.0006591600000000, -0.0018817900000000, 0.0001924900000000 ] - [ 0.0006591600000000, -0.0018817900000000, 0.0001924900000000 ] - [ 0.0000000000000000, -0.0002794300000000, -0.0001823500000000 ] - [ 0.0001127100000000, -0.0000703800000000, -0.0000460700000000 ] - [ -0.0001127100000000, -0.0000703800000000, -0.0000460700000000 ] - [ -0.0000434100000000, 0.0000423200000000, -0.0000298100000000 ] - [ 0.0000000000000000, 0.0000240800000000, -0.0000319400000000 ] - [ 0.0000434100000000, 0.0000423200000000, -0.0000298100000000 ] - [ 0.0000516300000000, 0.0004059800000000, 0.0002001300000000 ] - [ 0.0000000000000000, 0.0003218800000000, 0.0001505100000000 ] - [ -0.0000516300000000, 0.0004059800000000, 0.0002001300000000 ] - [ 0.0000516300000000, 0.0004059800000000, -0.0002001300000000 ] - [ 0.0000000000000000, 0.0003218800000000, -0.0001505100000000 ] - [ -0.0000516300000000, 0.0004059800000000, -0.0002001300000000 ] - [ -0.0000434100000000, 0.0000423200000000, 0.0000298100000000 ] - [ 0.0000000000000000, 0.0000240800000000, 0.0000319400000000 ] - [ 0.0000434100000000, 0.0000423200000000, 0.0000298100000000 ] - [ -0.0041073800000000, -0.0009885200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0008891000000000, 0.0000000000000000 ] - [ 0.0041073800000000, -0.0009885200000000, 0.0000000000000000 ] - [ -0.0015035500000000, 0.0021922100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0008566600000000, 0.0000000000000000 ] - [ 0.0015035500000000, 0.0021922100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0008198900000000, -0.0001377200000000 ] - [ 0.0015632600000000, -0.0021679500000000, -0.0000670800000000 ] - [ -0.0015632600000000, -0.0021679500000000, -0.0000670800000000 ] - [ 0.0000000000000000, -0.0008198900000000, 0.0001377200000000 ] - [ 0.0015632600000000, -0.0021679500000000, 0.0000670800000000 ] - [ -0.0015632600000000, -0.0021679500000000, 0.0000670800000000 ] - [ 0.0000000000000000, 0.0016958700000000, 0.0000000000000000 ] - [ 0.0011545600000000, 0.0026780900000000, 0.0000000000000000 ] - [ -0.0011545600000000, 0.0026780900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0008989900000000, 0.0000000000000000 ] - [ 0.0015001300000000, 0.0022115000000000, 0.0000000000000000 ] - [ -0.0015001300000000, 0.0022115000000000, 0.0000000000000000 ] - [ -0.0015007000000000, -0.0019847000000000, 0.0002683900000000 ] - [ 0.0000000000000000, -0.0008221500000000, 0.0000682900000000 ] - [ 0.0015007000000000, -0.0019847000000000, 0.0002683900000000 ] - [ -0.0015007000000000, -0.0019847000000000, -0.0002683900000000 ] - [ 0.0000000000000000, -0.0008221500000000, -0.0000682900000000 ] - [ 0.0015007000000000, -0.0019847000000000, -0.0002683900000000 ] - [ 0.0000000000000000, -0.0011683400000000, 0.0003717600000000 ] - [ -0.0001630400000000, -0.0010318700000000, 0.0003629600000000 ] - [ 0.0001630400000000, -0.0010318700000000, 0.0003629600000000 ] - [ 0.0000000000000000, -0.0006511000000000, 0.0005626600000000 ] - [ -0.0000073200000000, -0.0006541900000000, 0.0005518300000000 ] - [ 0.0000073200000000, -0.0006541900000000, 0.0005518300000000 ] - [ 0.0000097600000000, 0.0007891900000000, -0.0003475600000000 ] - [ 0.0000000000000000, 0.0007299000000000, -0.0006221300000000 ] - [ -0.0000097600000000, 0.0007891900000000, -0.0003475600000000 ] - [ -0.0005460400000000, 0.0017085500000000, -0.0019309100000000 ] - [ 0.0000000000000000, 0.0009384400000000, -0.0005356900000000 ] - [ 0.0005460400000000, 0.0017085500000000, -0.0019309100000000 ] - [ -0.0005460400000000, 0.0017085500000000, 0.0019309100000000 ] - [ 0.0000000000000000, 0.0009384400000000, 0.0005356900000000 ] - [ 0.0005460400000000, 0.0017085500000000, 0.0019309100000000 ] - [ 0.0000097600000000, 0.0007891900000000, 0.0003475600000000 ] - [ 0.0000000000000000, 0.0007299000000000, 0.0006221300000000 ] - [ -0.0000097600000000, 0.0007891900000000, 0.0003475600000000 ] - [ 0.0000000000000000, -0.0011683400000000, -0.0003717600000000 ] - [ -0.0001630400000000, -0.0010318700000000, -0.0003629600000000 ] - [ 0.0001630400000000, -0.0010318700000000, -0.0003629600000000 ] - [ 0.0000000000000000, -0.0006511000000000, -0.0005626600000000 ] - [ -0.0000073200000000, -0.0006541900000000, -0.0005518300000000 ] - [ 0.0000073200000000, -0.0006541900000000, -0.0005518300000000 ] - [ 0.0000000000000000, 0.0607603300000000, 0.0000000000000000 ] - [ -0.0009592500000000, 0.0008645400000000, 0.0000000000000000 ] - [ 0.0009592500000000, 0.0008645400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001603000000000, 0.0000000000000000 ] - [ -0.0000254600000000, -0.0002696700000000, 0.0000000000000000 ] - [ 0.0000254600000000, -0.0002696700000000, 0.0000000000000000 ] - [ 0.0000183600000000, 0.0002285400000000, 0.0000642700000000 ] - [ 0.0000000000000000, 0.0002419200000000, 0.0000600700000000 ] - [ -0.0000183600000000, 0.0002285400000000, 0.0000642700000000 ] - [ 0.0000183600000000, 0.0002285400000000, -0.0000642700000000 ] - [ 0.0000000000000000, 0.0002419200000000, -0.0000600700000000 ] - [ -0.0000183600000000, 0.0002285400000000, -0.0000642700000000 ] - [ 0.0035916000000000, -0.0029130700000000, 0.0041444900000000 ] - [ 0.0000000000000000, -0.0001448700000000, 0.0003335100000000 ] - [ -0.0035916000000000, -0.0029130700000000, 0.0041444900000000 ] - [ 0.0000386400000000, -0.0005947900000000, 0.0004955900000000 ] - [ 0.0000000000000000, -0.0006205800000000, 0.0005593600000000 ] - [ -0.0000386400000000, -0.0005947900000000, 0.0004955900000000 ] - [ 0.0000000000000000, 0.0005268800000000, -0.0005674700000000 ] - [ 0.0000104000000000, 0.0005789600000000, -0.0005352000000000 ] - [ -0.0000104000000000, 0.0005789600000000, -0.0005352000000000 ] - [ 0.0000000000000000, 0.0003067600000000, -0.0006032600000000 ] - [ 0.0000103300000000, 0.0003591100000000, -0.0005795900000000 ] - [ -0.0000103300000000, 0.0003591100000000, -0.0005795900000000 ] - [ 0.0000000000000000, 0.0003067600000000, 0.0006032600000000 ] - [ 0.0000103300000000, 0.0003591100000000, 0.0005795900000000 ] - [ -0.0000103300000000, 0.0003591100000000, 0.0005795900000000 ] - [ 0.0000000000000000, 0.0005268800000000, 0.0005674700000000 ] - [ 0.0000104000000000, 0.0005789600000000, 0.0005352000000000 ] - [ -0.0000104000000000, 0.0005789600000000, 0.0005352000000000 ] - [ 0.0035916000000000, -0.0029130700000000, -0.0041444900000000 ] - [ 0.0000000000000000, -0.0001448700000000, -0.0003335100000000 ] - [ -0.0035916000000000, -0.0029130700000000, -0.0041444900000000 ] - [ 0.0000386400000000, -0.0005947900000000, -0.0004955900000000 ] - [ 0.0000000000000000, -0.0006205800000000, -0.0005593600000000 ] - [ -0.0000386400000000, -0.0005947900000000, -0.0004955900000000 ] - [ -0.0000142700000000, -0.0005419400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0005262600000000, 0.0000000000000000 ] - [ 0.0000142700000000, -0.0005419400000000, 0.0000000000000000 ] - [ 0.0000158000000000, -0.0003229800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003327700000000, 0.0000000000000000 ] - [ -0.0000158000000000, -0.0003229800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002379700000000, -0.0008275900000000 ] - [ -0.0000389000000000, 0.0006816000000000, -0.0001118800000000 ] - [ 0.0000389000000000, 0.0006816000000000, -0.0001118800000000 ] - [ 0.0000000000000000, 0.0002379700000000, 0.0008275900000000 ] - [ -0.0000389000000000, 0.0006816000000000, 0.0001118800000000 ] - [ 0.0000389000000000, 0.0006816000000000, 0.0001118800000000 ] - [ 0.0000000000000000, 0.0020678100000000, 0.0000000000000000 ] - [ 0.0000483900000000, 0.0019720300000000, 0.0000000000000000 ] - [ -0.0000483900000000, 0.0019720300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0018015300000000, 0.0000000000000000 ] - [ 0.0000208700000000, 0.0017914200000000, 0.0000000000000000 ] - [ -0.0000208700000000, 0.0017914200000000, 0.0000000000000000 ] - [ -0.0003490800000000, -0.0024343600000000, -0.0003453700000000 ] - [ 0.0000000000000000, -0.0018963200000000, -0.0000979800000000 ] - [ 0.0003490800000000, -0.0024343600000000, -0.0003453700000000 ] - [ -0.0003490800000000, -0.0024343600000000, 0.0003453700000000 ] - [ 0.0000000000000000, -0.0018963200000000, 0.0000979800000000 ] - [ 0.0003490800000000, -0.0024343600000000, 0.0003453700000000 ] - [ 0.0134606900000000, -0.0133603600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0008451900000000, 0.0000000000000000 ] - [ -0.0134606900000000, -0.0133603600000000, 0.0000000000000000 ] - [ 0.0000049100000000, 0.0017302000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0017910300000000, 0.0000000000000000 ] - [ -0.0000049100000000, 0.0017302000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0017151500000000, 0.0000120500000000 ] - [ 0.0000248400000000, -0.0017333500000000, 0.0000186900000000 ] - [ -0.0000248400000000, -0.0017333500000000, 0.0000186900000000 ] - [ 0.0000000000000000, -0.0017151500000000, -0.0000120500000000 ] - [ 0.0000248400000000, -0.0017333500000000, -0.0000186900000000 ] - [ -0.0000248400000000, -0.0017333500000000, -0.0000186900000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0003828200000000, -0.0027813600000000 ] - [ 0.0003339400000000, -0.0001820700000000, -0.0011564500000000 ] - [ -0.0003339400000000, -0.0001820700000000, -0.0011564500000000 ] - [ 0.0000000000000000, -0.0083019300000000, 0.0204555600000000 ] - [ -0.0016669800000000, -0.0004010800000000, 0.0012254600000000 ] - [ 0.0016669800000000, -0.0004010800000000, 0.0012254600000000 ] - [ 0.0000000000000000, 0.0078062700000000, 0.0192228700000000 ] - [ 0.0017275300000000, 0.0004086200000000, 0.0012146100000000 ] - [ -0.0017275300000000, 0.0004086200000000, 0.0012146100000000 ] - [ 0.0000000000000000, -0.0003879300000000, -0.0027914700000000 ] - [ -0.0002791100000000, 0.0001823300000000, -0.0011552800000000 ] - [ 0.0002791100000000, 0.0001823300000000, -0.0011552800000000 ] - [ -0.0000020100000000, -0.0000703700000000, -0.0003669200000000 ] - [ 0.0000000000000000, -0.0000610700000000, -0.0003519700000000 ] - [ 0.0000020100000000, -0.0000703700000000, -0.0003669200000000 ] - [ -0.0000876900000000, 0.0001012400000000, 0.0003745300000000 ] - [ 0.0000000000000000, 0.0001086900000000, 0.0003709800000000 ] - [ 0.0000876900000000, 0.0001012400000000, 0.0003745300000000 ] - [ 0.0000290500000000, -0.0001003700000000, 0.0003737900000000 ] - [ 0.0000000000000000, -0.0001071800000000, 0.0003704500000000 ] - [ -0.0000290500000000, -0.0001003700000000, 0.0003737900000000 ] - [ -0.0000551500000000, 0.0000701200000000, -0.0003648300000000 ] - [ 0.0000000000000000, 0.0000608900000000, -0.0003529600000000 ] - [ 0.0000551500000000, 0.0000701200000000, -0.0003648300000000 ] - [ -0.0015121900000000, 0.0021796400000000, 0.0004802100000000 ] - [ 0.0000000000000000, 0.0008750700000000, 0.0003480400000000 ] - [ 0.0015121900000000, 0.0021796400000000, 0.0004802100000000 ] - [ -0.0015088100000000, 0.0021837000000000, -0.0003332600000000 ] - [ 0.0000000000000000, 0.0008724200000000, -0.0002576400000000 ] - [ 0.0015088100000000, 0.0021837000000000, -0.0003332600000000 ] - [ 0.0000000000000000, -0.0003566900000000, -0.0002242200000000 ] - [ 0.0016307700000000, -0.0018023800000000, -0.0001336700000000 ] - [ -0.0016307700000000, -0.0018023800000000, -0.0001336700000000 ] - [ 0.0000000000000000, -0.0013913200000000, -0.0002234400000000 ] - [ 0.0013869500000000, -0.0025676000000000, -0.0001334400000000 ] - [ -0.0013869500000000, -0.0025676000000000, -0.0001334400000000 ] - [ 0.0000000000000000, 0.0008723300000000, 0.0009210900000000 ] - [ 0.0015089200000000, 0.0021847700000000, 0.0007541800000000 ] - [ -0.0015089200000000, 0.0021847700000000, 0.0007541800000000 ] - [ 0.0000000000000000, 0.0008723800000000, -0.0002650600000000 ] - [ 0.0015087400000000, 0.0021848500000000, -0.0002264600000000 ] - [ -0.0015087400000000, 0.0021848500000000, -0.0002264600000000 ] - [ -0.0014098200000000, -0.0026807200000000, -0.0002917800000000 ] - [ 0.0000000000000000, -0.0010763100000000, -0.0000904600000000 ] - [ 0.0014098200000000, -0.0026807200000000, -0.0002917800000000 ] - [ -0.0016088500000000, -0.0016873200000000, -0.0002891700000000 ] - [ 0.0000000000000000, -0.0006686900000000, -0.0000896600000000 ] - [ 0.0016088500000000, -0.0016873200000000, -0.0002891700000000 ] - [ 0.0000000000000000, -0.0005453300000000, 0.0002405700000000 ] - [ -0.0000097500000000, -0.0006346000000000, 0.0002500900000000 ] - [ 0.0000097500000000, -0.0006346000000000, 0.0002500900000000 ] - [ 0.0000000000000000, -0.0006355500000000, 0.0008104800000000 ] - [ -0.0000119300000000, -0.0006474700000000, 0.0007917400000000 ] - [ 0.0000119300000000, -0.0006474700000000, 0.0007917400000000 ] - [ -0.0002006900000000, 0.0005423100000000, 0.0003869500000000 ] - [ 0.0000000000000000, 0.0005442300000000, -0.0001461300000000 ] - [ 0.0002006900000000, 0.0005423100000000, 0.0003869500000000 ] - [ 0.0026025600000000, 0.0012299400000000, 0.0019957100000000 ] - [ 0.0000000000000000, 0.0008243500000000, -0.0007169000000000 ] - [ -0.0026025600000000, 0.0012299400000000, 0.0019957100000000 ] - [ -0.0025649900000000, 0.0000436200000000, 0.0030698300000000 ] - [ 0.0000000000000000, 0.0004146500000000, 0.0004009500000000 ] - [ 0.0025649900000000, 0.0000436200000000, 0.0030698300000000 ] - [ 0.0002184200000000, 0.0007247600000000, 0.0014783200000000 ] - [ 0.0000000000000000, 0.0006956000000000, 0.0009665800000000 ] - [ -0.0002184200000000, 0.0007247600000000, 0.0014783200000000 ] - [ 0.0000000000000000, -0.0006926900000000, -0.0008680700000000 ] - [ -0.0000060300000000, -0.0006315900000000, -0.0008379400000000 ] - [ 0.0000060300000000, -0.0006315900000000, -0.0008379400000000 ] - [ 0.0000000000000000, -0.0006045500000000, -0.0003040800000000 ] - [ -0.0000029500000000, -0.0006183400000000, -0.0002986100000000 ] - [ 0.0000029500000000, -0.0006183400000000, -0.0002986100000000 ] - [ 0.0000000000000000, 0.0001404300000000, -0.0750706700000000 ] - [ -0.0000247400000000, -0.0003057300000000, -0.0015938700000000 ] - [ 0.0000247400000000, -0.0003057300000000, -0.0015938700000000 ] - [ 0.0000000000000000, -0.0003216600000000, 0.0017671100000000 ] - [ -0.0000174100000000, -0.0003050700000000, 0.0008875800000000 ] - [ 0.0000174100000000, -0.0003050700000000, 0.0008875800000000 ] - [ -0.0000024500000000, 0.0002414300000000, 0.0000418000000000 ] - [ 0.0000000000000000, 0.0002636600000000, 0.0000405500000000 ] - [ 0.0000024500000000, 0.0002414300000000, 0.0000418000000000 ] - [ 0.0000377800000000, 0.0003704800000000, 0.0000405100000000 ] - [ 0.0000000000000000, 0.0003819200000000, 0.0000398200000000 ] - [ -0.0000377800000000, 0.0003704800000000, 0.0000405100000000 ] - [ 0.0037186900000000, -0.0040909300000000, 0.0017327200000000 ] - [ 0.0000000000000000, -0.0006883100000000, -0.0002604700000000 ] - [ -0.0037186900000000, -0.0040909300000000, 0.0017327200000000 ] - [ -0.0001982800000000, -0.0005706200000000, 0.0013881100000000 ] - [ 0.0000000000000000, -0.0005461500000000, 0.0011263900000000 ] - [ 0.0001982800000000, -0.0005706200000000, 0.0013881100000000 ] - [ 0.0000000000000000, 0.0007779000000000, -0.0003772200000000 ] - [ -0.0000340800000000, 0.0007364500000000, -0.0003777600000000 ] - [ 0.0000340800000000, 0.0007364500000000, -0.0003777600000000 ] - [ 0.0000000000000000, 0.0004038700000000, -0.0006492800000000 ] - [ 0.0000398900000000, 0.0004483800000000, -0.0006471500000000 ] - [ -0.0000398900000000, 0.0004483800000000, -0.0006471500000000 ] - [ 0.0000000000000000, 0.0008349200000000, 0.0004657000000000 ] - [ -0.0000552700000000, 0.0008165600000000, 0.0004424100000000 ] - [ 0.0000552700000000, 0.0008165600000000, 0.0004424100000000 ] - [ 0.0000000000000000, 0.0004615500000000, 0.0007362800000000 ] - [ 0.0000197100000000, 0.0005289200000000, 0.0007096500000000 ] - [ -0.0000197100000000, 0.0005289200000000, 0.0007096500000000 ] - [ -0.0036994900000000, 0.0028206700000000, 0.0006704600000000 ] - [ 0.0000000000000000, -0.0005500200000000, -0.0013708900000000 ] - [ 0.0036994900000000, 0.0028206700000000, 0.0006704600000000 ] - [ 0.0002148000000000, -0.0006959000000000, 0.0002969400000000 ] - [ 0.0000000000000000, -0.0006949000000000, 0.0000078000000000 ] - [ -0.0002148000000000, -0.0006959000000000, 0.0002969400000000 ] - [ 0.0000157500000000, -0.0003072700000000, -0.0003986200000000 ] - [ 0.0000000000000000, -0.0003225600000000, -0.0003772800000000 ] - [ -0.0000157500000000, -0.0003072700000000, -0.0003986200000000 ] - [ 0.0000173700000000, -0.0003062400000000, 0.0003272300000000 ] - [ 0.0000000000000000, -0.0003218700000000, 0.0003200500000000 ] - [ -0.0000173700000000, -0.0003062400000000, 0.0003272300000000 ] - [ 0.0000000000000000, 0.0011548800000000, 0.0063272000000000 ] - [ -0.0004499200000000, 0.0004164900000000, 0.0005067100000000 ] - [ 0.0004499200000000, 0.0004164900000000, 0.0005067100000000 ] - [ 0.0000000000000000, -0.0005169000000000, 0.0063797600000000 ] - [ 0.0004163900000000, 0.0001929600000000, 0.0005037300000000 ] - [ -0.0004163900000000, 0.0001929600000000, 0.0005037300000000 ] - [ 0.0000000000000000, 0.0017864800000000, 0.0003731400000000 ] - [ 0.0000218900000000, 0.0017821700000000, 0.0003078700000000 ] - [ -0.0000218900000000, 0.0017821700000000, 0.0003078700000000 ] - [ 0.0000000000000000, 0.0017864200000000, -0.0002608600000000 ] - [ 0.0000218400000000, 0.0017820700000000, -0.0002473600000000 ] - [ -0.0000218400000000, 0.0017820700000000, -0.0002473600000000 ] - [ 0.0003523900000000, -0.0019513500000000, -0.0009274200000000 ] - [ 0.0000000000000000, -0.0014603700000000, -0.0001287000000000 ] - [ -0.0003523900000000, -0.0019513500000000, -0.0009274200000000 ] - [ -0.0004009700000000, -0.0016150200000000, -0.0009262200000000 ] - [ 0.0000000000000000, -0.0021124000000000, -0.0001280900000000 ] - [ 0.0004009700000000, -0.0016150200000000, -0.0009262200000000 ] - [ -0.0000400700000000, 0.0018036500000000, 0.0042987700000000 ] - [ 0.0000000000000000, 0.0017822100000000, 0.0007986300000000 ] - [ 0.0000400700000000, 0.0018036500000000, 0.0042987700000000 ] - [ -0.0000220900000000, 0.0017819100000000, -0.0006497000000000 ] - [ 0.0000000000000000, 0.0017867100000000, -0.0004071300000000 ] - [ 0.0000220900000000, 0.0017819100000000, -0.0006497000000000 ] - [ 0.0000000000000000, -0.0017944700000000, -0.0000666300000000 ] - [ 0.0000242400000000, -0.0017648600000000, -0.0000632700000000 ] - [ -0.0000242400000000, -0.0017648600000000, -0.0000632700000000 ] - [ 0.0000000000000000, -0.0017773600000000, -0.0000657800000000 ] - [ 0.0000195300000000, -0.0017983500000000, -0.0000624800000000 ] - [ -0.0000195300000000, -0.0017983500000000, -0.0000624800000000 ]- atom: 121 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000182200000000, 0.0000007900000000, 0.0000037300000000 ] - [ 0.0000389900000000, -0.0000026300000000, -0.0000039100000000 ] - [ -0.0000194000000000, 0.0000018600000000, 0.0000060700000000 ] - [ -0.0001584600000000, 0.0000008300000000, -0.0000004600000000 ] - [ 0.0001069700000000, 0.0000341600000000, 0.0000599800000000 ] - [ 0.0000512400000000, -0.0000315800000000, -0.0000610500000000 ] - [ -0.0001584600000000, 0.0000008300000000, 0.0000004600000000 ] - [ 0.0001069700000000, 0.0000341600000000, -0.0000599800000000 ] - [ 0.0000512400000000, -0.0000315800000000, 0.0000610500000000 ] - [ -0.0000182200000000, 0.0000007900000000, -0.0000037300000000 ] - [ 0.0000389900000000, -0.0000026300000000, 0.0000039100000000 ] - [ -0.0000194000000000, 0.0000018600000000, -0.0000060700000000 ] - [ -0.0000501000000000, 0.0000139700000000, -0.0000603700000000 ] - [ 0.0000944200000000, 0.0000009000000000, 0.0000016700000000 ] - [ 0.0000061400000000, -0.0000143200000000, 0.0000630200000000 ] - [ -0.0002631300000000, -0.0019577500000000, 0.0076758600000000 ] - [ 0.0015691500000000, 0.0000044600000000, -0.0000016100000000 ] - [ -0.0002206700000000, 0.0019742900000000, -0.0076288500000000 ] - [ -0.0002631300000000, -0.0019577500000000, -0.0076758600000000 ] - [ 0.0015691500000000, 0.0000044600000000, 0.0000016100000000 ] - [ -0.0002206700000000, 0.0019742900000000, 0.0076288500000000 ] - [ -0.0000501000000000, 0.0000139700000000, 0.0000603700000000 ] - [ 0.0000944200000000, 0.0000009000000000, -0.0000016700000000 ] - [ 0.0000061400000000, -0.0000143200000000, -0.0000630200000000 ] - [ -0.0011770800000000, 0.0006791300000000, 0.0000000000000000 ] - [ 0.0003087800000000, 0.0008678200000000, 0.0000000000000000 ] - [ 0.0018394500000000, 0.0036645900000000, 0.0000000000000000 ] - [ -0.0015108200000000, 0.0021818500000000, 0.0000000000000000 ] - [ 0.0000030300000000, 0.0008685900000000, 0.0000000000000000 ] - [ 0.0015079500000000, 0.0021800500000000, 0.0000000000000000 ] - [ 0.0001291300000000, -0.0008714400000000, -0.0000003700000000 ] - [ 0.0014899200000000, -0.0022412900000000, -0.0000758400000000 ] - [ -0.0015280900000000, -0.0021226400000000, 0.0000753400000000 ] - [ 0.0001291300000000, -0.0008714400000000, 0.0000003700000000 ] - [ 0.0014899200000000, -0.0022412900000000, 0.0000758400000000 ] - [ -0.0015280900000000, -0.0021226400000000, -0.0000753400000000 ] - [ -0.0013080800000000, 0.0008706100000000, 0.0000000000000000 ] - [ 0.0019873100000000, 0.0029891100000000, 0.0000000000000000 ] - [ -0.0010313900000000, 0.0013750600000000, 0.0000000000000000 ] - [ -0.0000029500000000, 0.0008684500000000, 0.0000000000000000 ] - [ 0.0015112500000000, 0.0021930200000000, 0.0000000000000000 ] - [ -0.0015071000000000, 0.0021689700000000, 0.0000000000000000 ] - [ -0.0015530100000000, -0.0021441400000000, -0.0000601800000000 ] - [ 0.0000874400000000, -0.0008712800000000, -0.0000004800000000 ] - [ 0.0014648600000000, -0.0022187100000000, 0.0000597600000000 ] - [ -0.0015530100000000, -0.0021441400000000, 0.0000601800000000 ] - [ 0.0000874400000000, -0.0008712800000000, 0.0000004800000000 ] - [ 0.0014648600000000, -0.0022187100000000, -0.0000597600000000 ] - [ 0.0040526200000000, -0.0005555900000000, 0.0004391000000000 ] - [ -0.0010729200000000, -0.0000985900000000, -0.0004109800000000 ] - [ -0.0010527700000000, -0.0011767800000000, 0.0014998300000000 ] - [ 0.0000474300000000, -0.0006235700000000, 0.0005584200000000 ] - [ -0.0000266700000000, -0.0006394900000000, 0.0005511800000000 ] - [ -0.0000108700000000, -0.0006345900000000, 0.0005431500000000 ] - [ 0.0000135400000000, 0.0006550200000000, -0.0005372600000000 ] - [ -0.0000166700000000, 0.0006222000000000, -0.0005569100000000 ] - [ -0.0000020300000000, 0.0006171300000000, -0.0005529700000000 ] - [ 0.0000289300000000, 0.0006281300000000, -0.0005675100000000 ] - [ -0.0000404200000000, 0.0006225400000000, -0.0005568100000000 ] - [ 0.0000128300000000, 0.0006445600000000, -0.0005234700000000 ] - [ 0.0000289300000000, 0.0006281300000000, 0.0005675100000000 ] - [ -0.0000404200000000, 0.0006225400000000, 0.0005568100000000 ] - [ 0.0000128300000000, 0.0006445600000000, 0.0005234700000000 ] - [ 0.0000135400000000, 0.0006550200000000, 0.0005372600000000 ] - [ -0.0000166700000000, 0.0006222000000000, 0.0005569100000000 ] - [ -0.0000020300000000, 0.0006171300000000, 0.0005529700000000 ] - [ 0.0040526200000000, -0.0005555900000000, -0.0004391000000000 ] - [ -0.0010729200000000, -0.0000985900000000, 0.0004109800000000 ] - [ -0.0010527700000000, -0.0011767800000000, -0.0014998300000000 ] - [ 0.0000474300000000, -0.0006235700000000, -0.0005584200000000 ] - [ -0.0000266700000000, -0.0006394900000000, -0.0005511800000000 ] - [ -0.0000108700000000, -0.0006345900000000, -0.0005431500000000 ] - [ 0.0001279200000000, -0.0003247500000000, 0.0000000000000000 ] - [ -0.0000857200000000, -0.0002825200000000, 0.0000000000000000 ] - [ -0.0000506100000000, -0.0003365400000000, 0.0000000000000000 ] - [ 0.0000065700000000, -0.0003256500000000, 0.0000000000000000 ] - [ -0.0000212800000000, -0.0003114000000000, 0.0000000000000000 ] - [ 0.0000129900000000, -0.0003081600000000, 0.0000000000000000 ] - [ 0.0003597100000000, 0.0006383100000000, 0.0003775400000000 ] - [ -0.0002973300000000, 0.0003249300000000, 0.0000000300000000 ] - [ 0.0003250600000000, -0.0000193500000000, -0.0003751600000000 ] - [ 0.0003597100000000, 0.0006383100000000, -0.0003775400000000 ] - [ -0.0002973300000000, 0.0003249300000000, -0.0000000300000000 ] - [ 0.0003250600000000, -0.0000193500000000, 0.0003751600000000 ] - [ 0.0001000800000000, -0.0007976000000000, 0.0005111600000000 ] - [ -0.0002171300000000, -0.0006226000000000, 0.0005567200000000 ] - [ 0.0000852000000000, -0.0004777500000000, 0.0005776100000000 ] - [ 0.0000104600000000, -0.0006380900000000, 0.0005472800000000 ] - [ -0.0000063000000000, -0.0006228600000000, 0.0005585100000000 ] - [ -0.0000048200000000, -0.0006343000000000, 0.0005454600000000 ] - [ 0.0000375400000000, 0.0006222000000000, -0.0005562800000000 ] - [ 0.0000035300000000, 0.0007226100000000, -0.0004441200000000 ] - [ 0.0000187800000000, 0.0005486300000000, -0.0006450900000000 ] - [ 0.0009322900000000, 0.0006222300000000, -0.0005583800000000 ] - [ -0.0004943700000000, 0.0008128900000000, -0.0013009200000000 ] - [ -0.0004774400000000, 0.0004563900000000, 0.0002114000000000 ] - [ 0.0009322900000000, 0.0006222300000000, 0.0005583800000000 ] - [ -0.0004943700000000, 0.0008128900000000, 0.0013009200000000 ] - [ -0.0004774400000000, 0.0004563900000000, -0.0002114000000000 ] - [ 0.0000375400000000, 0.0006222000000000, 0.0005562800000000 ] - [ 0.0000035300000000, 0.0007226100000000, 0.0004441200000000 ] - [ 0.0000187800000000, 0.0005486300000000, 0.0006450900000000 ] - [ 0.0001000800000000, -0.0007976000000000, -0.0005111600000000 ] - [ -0.0002171300000000, -0.0006226000000000, -0.0005567200000000 ] - [ 0.0000852000000000, -0.0004777500000000, -0.0005776100000000 ] - [ 0.0000104600000000, -0.0006380900000000, -0.0005472800000000 ] - [ -0.0000063000000000, -0.0006228600000000, -0.0005585100000000 ] - [ -0.0000048200000000, -0.0006343000000000, -0.0005454600000000 ] - [ 0.0154425300000000, 0.0132248000000000, 0.0000000000000000 ] - [ -0.0023002400000000, -0.0003286400000000, 0.0000000000000000 ] - [ 0.0146597900000000, -0.0132310700000000, 0.0000000000000000 ] - [ 0.0000375000000000, -0.0002823100000000, 0.0000000000000000 ] - [ -0.0000384500000000, -0.0003255600000000, 0.0000000000000000 ] - [ 0.0000042000000000, -0.0003366000000000, 0.0000000000000000 ] - [ 0.0000274200000000, 0.0003245600000000, -0.0000008800000000 ] - [ -0.0000302600000000, 0.0003058700000000, 0.0000020200000000 ] - [ 0.0000041400000000, 0.0003116200000000, -0.0000029300000000 ] - [ 0.0000274200000000, 0.0003245600000000, 0.0000008800000000 ] - [ -0.0000302600000000, 0.0003058700000000, -0.0000020200000000 ] - [ 0.0000041400000000, 0.0003116200000000, 0.0000029300000000 ] - [ -0.0442270700000000, 0.0010304400000000, 0.0000000000000000 ] - [ 0.0044892100000000, -0.0001184400000000, 0.0000000000000000 ] - [ 0.0044260200000000, 0.0037076400000000, 0.0000000000000000 ] - [ 0.0000025900000000, 0.0017895200000000, 0.0000000000000000 ] - [ 0.0000222400000000, 0.0017851600000000, 0.0000000000000000 ] - [ -0.0000230200000000, 0.0017855300000000, 0.0000000000000000 ] - [ -0.0000233000000000, -0.0017954400000000, -0.0000092100000000 ] - [ 0.0000035700000000, -0.0017884700000000, -0.0000001800000000 ] - [ 0.0000201800000000, -0.0017724500000000, 0.0000085400000000 ] - [ -0.0000233000000000, -0.0017954400000000, 0.0000092100000000 ] - [ 0.0000035700000000, -0.0017884700000000, 0.0000001800000000 ] - [ 0.0000201800000000, -0.0017724500000000, -0.0000085400000000 ] - [ -0.0000660500000000, 0.0018554900000000, 0.0000000000000000 ] - [ 0.0000965000000000, 0.0017875100000000, 0.0000000000000000 ] - [ -0.0000238400000000, 0.0017125200000000, 0.0000000000000000 ] - [ -0.0000223200000000, 0.0017872900000000, 0.0000000000000000 ] - [ 0.0000025200000000, 0.0017903900000000, 0.0000000000000000 ] - [ 0.0000207400000000, 0.0017841400000000, 0.0000000000000000 ] - [ 0.0001086900000000, -0.0017889700000000, -0.0000002000000000 ] - [ -0.0000796000000000, -0.0021077100000000, -0.0003776600000000 ] - [ -0.0001228000000000, -0.0014590800000000, 0.0003771100000000 ] - [ 0.0001086900000000, -0.0017889700000000, 0.0000002000000000 ] - [ -0.0000796000000000, -0.0021077100000000, 0.0003776600000000 ] - [ -0.0001228000000000, -0.0014590800000000, -0.0003771100000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0000399200000000, 0.0000224900000000 ] - [ -0.0000119000000000, 0.0000171800000000, -0.0000124000000000 ] - [ 0.0000119000000000, 0.0000171800000000, -0.0000124000000000 ] - [ 0.0000000000000000, 0.0002849700000000, 0.0000182900000000 ] - [ -0.0000814000000000, 0.0001724600000000, 0.0000263000000000 ] - [ 0.0000814000000000, 0.0001724600000000, 0.0000263000000000 ] - [ 0.0000000000000000, 0.0002849700000000, -0.0000182900000000 ] - [ -0.0000814000000000, 0.0001724600000000, -0.0000263000000000 ] - [ 0.0000814000000000, 0.0001724600000000, -0.0000263000000000 ] - [ 0.0000000000000000, 0.0000399200000000, -0.0000224900000000 ] - [ -0.0000119000000000, 0.0000171800000000, 0.0000124000000000 ] - [ 0.0000119000000000, 0.0000171800000000, 0.0000124000000000 ] - [ 0.0000431300000000, -0.0001118900000000, 0.0001755900000000 ] - [ 0.0000000000000000, 0.0000477200000000, -0.0001659600000000 ] - [ -0.0000431300000000, -0.0001118900000000, 0.0001755900000000 ] - [ -0.0034038900000000, -0.0051092400000000, 0.0040279000000000 ] - [ 0.0000000000000000, -0.0002113800000000, 0.0010059000000000 ] - [ 0.0034038900000000, -0.0051092400000000, 0.0040279000000000 ] - [ -0.0034038900000000, -0.0051092400000000, -0.0040279000000000 ] - [ 0.0000000000000000, -0.0002113800000000, -0.0010059000000000 ] - [ 0.0034038900000000, -0.0051092400000000, -0.0040279000000000 ] - [ 0.0000431300000000, -0.0001118900000000, -0.0001755900000000 ] - [ 0.0000000000000000, 0.0000477200000000, 0.0001659600000000 ] - [ -0.0000431300000000, -0.0001118900000000, -0.0001755900000000 ] - [ -0.0030763400000000, 0.0041527700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0006406200000000, 0.0000000000000000 ] - [ 0.0030763400000000, 0.0041527700000000, 0.0000000000000000 ] - [ -0.0015156100000000, 0.0021757700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0008691000000000, 0.0000000000000000 ] - [ 0.0015156100000000, 0.0021757700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003688900000000, 0.0005191800000000 ] - [ 0.0013926400000000, -0.0022060000000000, -0.0000410800000000 ] - [ -0.0013926400000000, -0.0022060000000000, -0.0000410800000000 ] - [ 0.0000000000000000, -0.0003688900000000, -0.0005191800000000 ] - [ 0.0013926400000000, -0.0022060000000000, 0.0000410800000000 ] - [ -0.0013926400000000, -0.0022060000000000, 0.0000410800000000 ] - [ 0.0000000000000000, 0.0021592800000000, 0.0000000000000000 ] - [ 0.0016885200000000, 0.0029490300000000, 0.0000000000000000 ] - [ -0.0016885200000000, 0.0029490300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0008783400000000, 0.0000000000000000 ] - [ 0.0015109800000000, 0.0021902500000000, 0.0000000000000000 ] - [ -0.0015109800000000, 0.0021902500000000, 0.0000000000000000 ] - [ -0.0015125500000000, -0.0021152200000000, -0.0000607700000000 ] - [ 0.0000000000000000, -0.0008054100000000, -0.0000622400000000 ] - [ 0.0015125500000000, -0.0021152200000000, -0.0000607700000000 ] - [ -0.0015125500000000, -0.0021152200000000, 0.0000607700000000 ] - [ 0.0000000000000000, -0.0008054100000000, 0.0000622400000000 ] - [ 0.0015125500000000, -0.0021152200000000, 0.0000607700000000 ] - [ 0.0000000000000000, 0.0165084600000000, -0.0172617200000000 ] - [ 0.0002277700000000, 0.0003599500000000, -0.0001931700000000 ] - [ -0.0002277700000000, 0.0003599500000000, -0.0001931700000000 ] - [ 0.0000000000000000, -0.0005744700000000, 0.0005414100000000 ] - [ 0.0000268700000000, -0.0006213800000000, 0.0005443800000000 ] - [ -0.0000268700000000, -0.0006213800000000, 0.0005443800000000 ] - [ 0.0000544700000000, 0.0005637000000000, -0.0005766700000000 ] - [ 0.0000000000000000, 0.0006243800000000, -0.0005385000000000 ] - [ -0.0000544700000000, 0.0005637000000000, -0.0005766700000000 ] - [ 0.0000689600000000, 0.0003919000000000, -0.0005030800000000 ] - [ 0.0000000000000000, 0.0006127700000000, -0.0006026400000000 ] - [ -0.0000689600000000, 0.0003919000000000, -0.0005030800000000 ] - [ 0.0000689600000000, 0.0003919000000000, 0.0005030800000000 ] - [ 0.0000000000000000, 0.0006127700000000, 0.0006026400000000 ] - [ -0.0000689600000000, 0.0003919000000000, 0.0005030800000000 ] - [ 0.0000544700000000, 0.0005637000000000, 0.0005766700000000 ] - [ 0.0000000000000000, 0.0006243800000000, 0.0005385000000000 ] - [ -0.0000544700000000, 0.0005637000000000, 0.0005766700000000 ] - [ 0.0000000000000000, 0.0165084600000000, 0.0172617200000000 ] - [ 0.0002277700000000, 0.0003599500000000, 0.0001931700000000 ] - [ -0.0002277700000000, 0.0003599500000000, 0.0001931700000000 ] - [ 0.0000000000000000, -0.0005744700000000, -0.0005414100000000 ] - [ 0.0000268700000000, -0.0006213800000000, -0.0005443800000000 ] - [ -0.0000268700000000, -0.0006213800000000, -0.0005443800000000 ] - [ 0.0000000000000000, -0.0006088200000000, 0.0000000000000000 ] - [ 0.0000871300000000, -0.0004949600000000, 0.0000000000000000 ] - [ -0.0000871300000000, -0.0004949600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003325200000000, 0.0000000000000000 ] - [ -0.0000149000000000, -0.0003083400000000, 0.0000000000000000 ] - [ 0.0000149000000000, -0.0003083400000000, 0.0000000000000000 ] - [ 0.0004988700000000, 0.0009572900000000, -0.0001677200000000 ] - [ 0.0000000000000000, 0.0004285000000000, 0.0003258000000000 ] - [ -0.0004988700000000, 0.0009572900000000, -0.0001677200000000 ] - [ 0.0004988700000000, 0.0009572900000000, 0.0001677200000000 ] - [ 0.0000000000000000, 0.0004285000000000, -0.0003258000000000 ] - [ -0.0004988700000000, 0.0009572900000000, 0.0001677200000000 ] - [ 0.0000273000000000, -0.0009065900000000, 0.0004763500000000 ] - [ 0.0000000000000000, -0.0008655600000000, 0.0005207400000000 ] - [ -0.0000273000000000, -0.0009065900000000, 0.0004763500000000 ] - [ 0.0000138000000000, -0.0006514600000000, 0.0005549300000000 ] - [ 0.0000000000000000, -0.0006328900000000, 0.0005735900000000 ] - [ -0.0000138000000000, -0.0006514600000000, 0.0005549300000000 ] - [ 0.0000000000000000, 0.0007408500000000, -0.0004127700000000 ] - [ 0.0001258900000000, 0.0007632300000000, -0.0004942700000000 ] - [ -0.0001258900000000, 0.0007632300000000, -0.0004942700000000 ] - [ 0.0000000000000000, 0.0018101600000000, -0.0012174400000000 ] - [ 0.0002061000000000, 0.0010685900000000, -0.0011897800000000 ] - [ -0.0002061000000000, 0.0010685900000000, -0.0011897800000000 ] - [ 0.0000000000000000, 0.0018101600000000, 0.0012174400000000 ] - [ 0.0002061000000000, 0.0010685900000000, 0.0011897800000000 ] - [ -0.0002061000000000, 0.0010685900000000, 0.0011897800000000 ] - [ 0.0000000000000000, 0.0007408500000000, 0.0004127700000000 ] - [ 0.0001258900000000, 0.0007632300000000, 0.0004942700000000 ] - [ -0.0001258900000000, 0.0007632300000000, 0.0004942700000000 ] - [ 0.0000273000000000, -0.0009065900000000, -0.0004763500000000 ] - [ 0.0000000000000000, -0.0008655600000000, -0.0005207400000000 ] - [ -0.0000273000000000, -0.0009065900000000, -0.0004763500000000 ] - [ 0.0000138000000000, -0.0006514600000000, -0.0005549300000000 ] - [ 0.0000000000000000, -0.0006328900000000, -0.0005735900000000 ] - [ -0.0000138000000000, -0.0006514600000000, -0.0005549300000000 ] - [ 0.0106106400000000, 0.0148410600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0006090200000000, 0.0000000000000000 ] - [ -0.0106106400000000, 0.0148410600000000, 0.0000000000000000 ] - [ 0.0000280100000000, -0.0002533200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003258900000000, 0.0000000000000000 ] - [ -0.0000280100000000, -0.0002533200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002485200000000, -0.0000098200000000 ] - [ 0.0000287100000000, 0.0002525600000000, 0.0000154300000000 ] - [ -0.0000287100000000, 0.0002525600000000, 0.0000154300000000 ] - [ 0.0000000000000000, 0.0002485200000000, 0.0000098200000000 ] - [ 0.0000287100000000, 0.0002525600000000, -0.0000154300000000 ] - [ -0.0000287100000000, 0.0002525600000000, -0.0000154300000000 ] - [ 0.0000000000000000, -0.0498002000000000, 0.0000000000000000 ] - [ 0.0019356400000000, -0.0020844500000000, 0.0000000000000000 ] - [ -0.0019356400000000, -0.0020844500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0017558100000000, 0.0000000000000000 ] - [ 0.0000226500000000, 0.0017710600000000, 0.0000000000000000 ] - [ -0.0000226500000000, 0.0017710600000000, 0.0000000000000000 ] - [ -0.0000338800000000, -0.0017160600000000, 0.0000594200000000 ] - [ 0.0000000000000000, -0.0017999000000000, -0.0000397700000000 ] - [ 0.0000338800000000, -0.0017160600000000, 0.0000594200000000 ] - [ -0.0000338800000000, -0.0017160600000000, -0.0000594200000000 ] - [ 0.0000000000000000, -0.0017999000000000, 0.0000397700000000 ] - [ 0.0000338800000000, -0.0017160600000000, -0.0000594200000000 ] - [ -0.0000925500000000, 0.0019509600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0019385300000000, 0.0000000000000000 ] - [ 0.0000925500000000, 0.0019509600000000, 0.0000000000000000 ] - [ -0.0000233000000000, 0.0017941500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0017956100000000, 0.0000000000000000 ] - [ 0.0000233000000000, 0.0017941500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0024624700000000, -0.0000446600000000 ] - [ -0.0003024300000000, -0.0021583600000000, -0.0003369400000000 ] - [ 0.0003024300000000, -0.0021583600000000, -0.0003369400000000 ] - [ 0.0000000000000000, -0.0024624700000000, 0.0000446600000000 ] - [ -0.0003024300000000, -0.0021583600000000, 0.0003369400000000 ] - [ 0.0003024300000000, -0.0021583600000000, 0.0003369400000000 ]- atom: 121 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0000378800000000, -0.0000171500000000 ] - [ 0.0000675200000000, -0.0000153400000000, 0.0000150900000000 ] - [ -0.0000675200000000, -0.0000153400000000, 0.0000150900000000 ] - [ 0.0000000000000000, -0.0002816400000000, -0.0000228200000000 ] - [ 0.0001363900000000, -0.0001694000000000, -0.0000275000000000 ] - [ -0.0001363900000000, -0.0001694000000000, -0.0000275000000000 ] - [ 0.0000000000000000, -0.0002816400000000, 0.0000228200000000 ] - [ 0.0001363900000000, -0.0001694000000000, 0.0000275000000000 ] - [ -0.0001363900000000, -0.0001694000000000, 0.0000275000000000 ] - [ 0.0000000000000000, -0.0000378800000000, 0.0000171500000000 ] - [ 0.0000675200000000, -0.0000153400000000, -0.0000150900000000 ] - [ -0.0000675200000000, -0.0000153400000000, -0.0000150900000000 ] - [ -0.0000985200000000, 0.0001125100000000, -0.0001756400000000 ] - [ 0.0000000000000000, -0.0000464300000000, 0.0001669600000000 ] - [ 0.0000985200000000, 0.0001125100000000, -0.0001756400000000 ] - [ 0.0033494500000000, 0.0051062600000000, -0.0040379300000000 ] - [ 0.0000000000000000, 0.0002180600000000, -0.0010079400000000 ] - [ -0.0033494500000000, 0.0051062600000000, -0.0040379300000000 ] - [ 0.0033494500000000, 0.0051062600000000, 0.0040379300000000 ] - [ 0.0000000000000000, 0.0002180600000000, 0.0010079400000000 ] - [ -0.0033494500000000, 0.0051062600000000, 0.0040379300000000 ] - [ -0.0000985200000000, 0.0001125100000000, 0.0001756400000000 ] - [ 0.0000000000000000, -0.0000464300000000, -0.0001669600000000 ] - [ 0.0000985200000000, 0.0001125100000000, 0.0001756400000000 ] - [ 0.0000827400000000, 0.0001822300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0011046000000000, 0.0000000000000000 ] - [ -0.0000827400000000, 0.0001822300000000, 0.0000000000000000 ] - [ -0.0015024100000000, 0.0021910600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0008749500000000, 0.0000000000000000 ] - [ 0.0015024100000000, 0.0021910600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0013719800000000, -0.0005163200000000 ] - [ 0.0016254700000000, -0.0021567900000000, 0.0000413600000000 ] - [ -0.0016254700000000, -0.0021567900000000, 0.0000413600000000 ] - [ 0.0000000000000000, -0.0013719800000000, 0.0005163200000000 ] - [ 0.0016254700000000, -0.0021567900000000, -0.0000413600000000 ] - [ -0.0016254700000000, -0.0021567900000000, -0.0000413600000000 ] - [ 0.0000000000000000, -0.0004039400000000, 0.0000000000000000 ] - [ 0.0013287900000000, 0.0014172000000000, 0.0000000000000000 ] - [ -0.0013287900000000, 0.0014172000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0008630700000000, 0.0000000000000000 ] - [ 0.0015065000000000, 0.0021764900000000, 0.0000000000000000 ] - [ -0.0015065000000000, 0.0021764900000000, 0.0000000000000000 ] - [ -0.0015043700000000, -0.0022464500000000, 0.0000603500000000 ] - [ 0.0000000000000000, -0.0009336900000000, 0.0000626300000000 ] - [ 0.0015043700000000, -0.0022464500000000, 0.0000603500000000 ] - [ -0.0015043700000000, -0.0022464500000000, -0.0000603500000000 ] - [ 0.0000000000000000, -0.0009336900000000, -0.0000626300000000 ] - [ 0.0015043700000000, -0.0022464500000000, -0.0000603500000000 ] - [ 0.0000000000000000, -0.0178594300000000, 0.0188802500000000 ] - [ -0.0002461100000000, -0.0016144100000000, 0.0012802200000000 ] - [ 0.0002461100000000, -0.0016144100000000, 0.0012802200000000 ] - [ 0.0000000000000000, -0.0006560200000000, 0.0005756200000000 ] - [ -0.0000430700000000, -0.0006378900000000, 0.0005518700000000 ] - [ 0.0000430700000000, -0.0006378900000000, 0.0005518700000000 ] - [ -0.0000384700000000, 0.0006981000000000, -0.0005179700000000 ] - [ 0.0000000000000000, 0.0006124900000000, -0.0005819900000000 ] - [ 0.0000384700000000, 0.0006981000000000, -0.0005179700000000 ] - [ -0.0000528600000000, 0.0008709600000000, -0.0005913600000000 ] - [ 0.0000000000000000, 0.0006259500000000, -0.0005171200000000 ] - [ 0.0000528600000000, 0.0008709600000000, -0.0005913600000000 ] - [ -0.0000528600000000, 0.0008709600000000, 0.0005913600000000 ] - [ 0.0000000000000000, 0.0006259500000000, 0.0005171200000000 ] - [ 0.0000528600000000, 0.0008709600000000, 0.0005913600000000 ] - [ -0.0000384700000000, 0.0006981000000000, 0.0005179700000000 ] - [ 0.0000000000000000, 0.0006124900000000, 0.0005819900000000 ] - [ 0.0000384700000000, 0.0006981000000000, 0.0005179700000000 ] - [ 0.0000000000000000, -0.0178594300000000, -0.0188802500000000 ] - [ -0.0002461100000000, -0.0016144100000000, -0.0012802200000000 ] - [ 0.0002461100000000, -0.0016144100000000, -0.0012802200000000 ] - [ 0.0000000000000000, -0.0006560200000000, -0.0005756200000000 ] - [ -0.0000430700000000, -0.0006378900000000, -0.0005518700000000 ] - [ 0.0000430700000000, -0.0006378900000000, -0.0005518700000000 ] - [ 0.0000000000000000, -0.0000414200000000, 0.0000000000000000 ] - [ -0.0001325100000000, -0.0001131300000000, 0.0000000000000000 ] - [ 0.0001325100000000, -0.0001131300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003050800000000, 0.0000000000000000 ] - [ -0.0000249600000000, -0.0002917200000000, 0.0000000000000000 ] - [ 0.0000249600000000, -0.0002917200000000, 0.0000000000000000 ] - [ -0.0004627800000000, -0.0003474600000000, 0.0001693800000000 ] - [ 0.0000000000000000, 0.0002154300000000, -0.0003257800000000 ] - [ 0.0004627800000000, -0.0003474600000000, 0.0001693800000000 ] - [ -0.0004627800000000, -0.0003474600000000, -0.0001693800000000 ] - [ 0.0000000000000000, 0.0002154300000000, 0.0003257800000000 ] - [ 0.0004627800000000, -0.0003474600000000, -0.0001693800000000 ] - [ -0.0000128300000000, -0.0003483700000000, 0.0006088400000000 ] - [ 0.0000000000000000, -0.0003674700000000, 0.0006034300000000 ] - [ 0.0000128300000000, -0.0003483700000000, 0.0006088400000000 ] - [ 0.0000014200000000, -0.0006093700000000, 0.0005455200000000 ] - [ 0.0000000000000000, -0.0006044700000000, 0.0005585000000000 ] - [ -0.0000014200000000, -0.0006093700000000, 0.0005455200000000 ] - [ 0.0000000000000000, 0.0004967400000000, -0.0007081600000000 ] - [ -0.0001414500000000, 0.0004995200000000, -0.0006001800000000 ] - [ 0.0001414500000000, 0.0004995200000000, -0.0006001800000000 ] - [ 0.0000000000000000, -0.0005718900000000, 0.0000910800000000 ] - [ -0.0002234500000000, 0.0001918000000000, 0.0000948500000000 ] - [ 0.0002234500000000, 0.0001918000000000, 0.0000948500000000 ] - [ 0.0000000000000000, -0.0005718900000000, -0.0000910800000000 ] - [ -0.0002234500000000, 0.0001918000000000, -0.0000948500000000 ] - [ 0.0002234500000000, 0.0001918000000000, -0.0000948500000000 ] - [ 0.0000000000000000, 0.0004967400000000, 0.0007081600000000 ] - [ -0.0001414500000000, 0.0004995200000000, 0.0006001800000000 ] - [ 0.0001414500000000, 0.0004995200000000, 0.0006001800000000 ] - [ -0.0000128300000000, -0.0003483700000000, -0.0006088400000000 ] - [ 0.0000000000000000, -0.0003674700000000, -0.0006034300000000 ] - [ 0.0000128300000000, -0.0003483700000000, -0.0006088400000000 ] - [ 0.0000014200000000, -0.0006093700000000, -0.0005455200000000 ] - [ 0.0000000000000000, -0.0006044700000000, -0.0005585000000000 ] - [ -0.0000014200000000, -0.0006093700000000, -0.0005455200000000 ] - [ -0.0101253200000000, -0.0152170800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0012572700000000, 0.0000000000000000 ] - [ 0.0101253200000000, -0.0152170800000000, 0.0000000000000000 ] - [ 0.0000048100000000, -0.0003562700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003134000000000, 0.0000000000000000 ] - [ -0.0000048100000000, -0.0003562700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0003968300000000, 0.0000084900000000 ] - [ -0.0000647100000000, 0.0003589100000000, -0.0000169000000000 ] - [ 0.0000647100000000, 0.0003589100000000, -0.0000169000000000 ] - [ 0.0000000000000000, 0.0003968300000000, -0.0000084900000000 ] - [ -0.0000647100000000, 0.0003589100000000, 0.0000169000000000 ] - [ 0.0000647100000000, 0.0003589100000000, 0.0000169000000000 ] - [ 0.0000000000000000, 0.0529282500000000, 0.0000000000000000 ] - [ -0.0018903700000000, 0.0056503400000000, 0.0000000000000000 ] - [ 0.0018903700000000, 0.0056503400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0018238200000000, 0.0000000000000000 ] - [ 0.0000216400000000, 0.0018002200000000, 0.0000000000000000 ] - [ -0.0000216400000000, 0.0018002200000000, 0.0000000000000000 ] - [ -0.0000105500000000, -0.0018493800000000, -0.0000594700000000 ] - [ 0.0000000000000000, -0.0017740200000000, 0.0000395000000000 ] - [ 0.0000105500000000, -0.0018493800000000, -0.0000594700000000 ] - [ -0.0000105500000000, -0.0018493800000000, 0.0000594700000000 ] - [ 0.0000000000000000, -0.0017740200000000, -0.0000395000000000 ] - [ 0.0000105500000000, -0.0018493800000000, 0.0000594700000000 ] - [ 0.0000496400000000, 0.0016193700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0016405900000000, 0.0000000000000000 ] - [ -0.0000496400000000, 0.0016193700000000, 0.0000000000000000 ] - [ -0.0000201400000000, 0.0017781000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0017860400000000, 0.0000000000000000 ] - [ 0.0000201400000000, 0.0017781000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0011172300000000, 0.0000424000000000 ] - [ 0.0003464100000000, -0.0014083300000000, 0.0003368900000000 ] - [ -0.0003464100000000, -0.0014083300000000, 0.0003368900000000 ] - [ 0.0000000000000000, -0.0011172300000000, -0.0000424000000000 ] - [ 0.0003464100000000, -0.0014083300000000, -0.0003368900000000 ] - [ -0.0003464100000000, -0.0014083300000000, -0.0003368900000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0001006700000000, 0.0003268500000000 ] - [ -0.0000341300000000, 0.0000713100000000, 0.0002884200000000 ] - [ 0.0000341300000000, 0.0000713100000000, 0.0002884200000000 ] - [ 0.0000000000000000, -0.0002782600000000, -0.0003996800000000 ] - [ 0.0002038000000000, -0.0001514500000000, -0.0003255800000000 ] - [ -0.0002038000000000, -0.0001514500000000, -0.0003255800000000 ] - [ 0.0000000000000000, 0.0002795500000000, -0.0004002100000000 ] - [ -0.0001448100000000, 0.0001517700000000, -0.0003260900000000 ] - [ 0.0001448100000000, 0.0001517700000000, -0.0003260900000000 ] - [ 0.0000000000000000, -0.0000997900000000, 0.0003277100000000 ] - [ 0.0000920600000000, -0.0000715400000000, 0.0002888700000000 ] - [ -0.0000920600000000, -0.0000715400000000, 0.0002888700000000 ] - [ -0.0001355000000000, -0.0000056800000000, 0.0010099000000000 ] - [ 0.0000000000000000, 0.0001054600000000, 0.0004833900000000 ] - [ 0.0001355000000000, -0.0000056800000000, 0.0010099000000000 ] - [ 0.0077575000000000, 0.0049994300000000, 0.0026798100000000 ] - [ 0.0000000000000000, 0.0003679000000000, -0.0003088400000000 ] - [ -0.0077575000000000, 0.0049994300000000, 0.0026798100000000 ] - [ -0.0077359200000000, -0.0049861300000000, 0.0026001300000000 ] - [ 0.0000000000000000, -0.0003672100000000, -0.0003076600000000 ] - [ 0.0077359200000000, -0.0049861300000000, 0.0026001300000000 ] - [ 0.0000779800000000, 0.0000039800000000, 0.0010088800000000 ] - [ 0.0000000000000000, -0.0001054000000000, 0.0004835600000000 ] - [ -0.0000779800000000, 0.0000039800000000, 0.0010088800000000 ] - [ -0.0015091100000000, 0.0021918500000000, -0.0018360400000000 ] - [ 0.0000000000000000, 0.0008794300000000, -0.0003510000000000 ] - [ 0.0015091100000000, 0.0021918500000000, -0.0018360400000000 ] - [ -0.0015091200000000, 0.0021902100000000, 0.0001608100000000 ] - [ 0.0000000000000000, 0.0008783300000000, 0.0001284900000000 ] - [ 0.0015091200000000, 0.0021902100000000, 0.0001608100000000 ] - [ 0.0000000000000000, -0.0002286100000000, 0.0010021700000000 ] - [ 0.0013420500000000, -0.0020558700000000, 0.0001342300000000 ] - [ -0.0013420500000000, -0.0020558700000000, 0.0001342300000000 ] - [ 0.0000000000000000, -0.0015257600000000, 0.0009989300000000 ] - [ 0.0016754700000000, -0.0023257200000000, 0.0001341300000000 ] - [ -0.0016754700000000, -0.0023257200000000, 0.0001341300000000 ] - [ 0.0000000000000000, 0.0008801100000000, -0.0004143100000000 ] - [ 0.0015088400000000, 0.0021901700000000, -0.0001087800000000 ] - [ -0.0015088400000000, 0.0021901700000000, -0.0001087800000000 ] - [ 0.0000000000000000, 0.0008775700000000, 0.0001961600000000 ] - [ 0.0015091700000000, 0.0021902500000000, 0.0001566400000000 ] - [ -0.0015091700000000, 0.0021902500000000, 0.0001566400000000 ] - [ -0.0016090600000000, -0.0023922600000000, 0.0001043700000000 ] - [ 0.0000000000000000, -0.0009807100000000, 0.0000474700000000 ] - [ 0.0016090600000000, -0.0023922600000000, 0.0001043700000000 ] - [ -0.0014082500000000, -0.0019879500000000, 0.0001051500000000 ] - [ 0.0000000000000000, -0.0007755400000000, 0.0000471000000000 ] - [ 0.0014082500000000, -0.0019879500000000, 0.0001051500000000 ] - [ 0.0000000000000000, -0.0233696300000000, 0.0349014200000000 ] - [ -0.0008902500000000, -0.0007848500000000, 0.0011876200000000 ] - [ 0.0008902500000000, -0.0007848500000000, 0.0011876200000000 ] - [ 0.0000000000000000, -0.0006220000000000, 0.0001326700000000 ] - [ 0.0000539900000000, -0.0006575900000000, 0.0001923200000000 ] - [ -0.0000539900000000, -0.0006575900000000, 0.0001923200000000 ] - [ 0.0000806100000000, 0.0004587600000000, -0.0007243700000000 ] - [ 0.0000000000000000, 0.0005589300000000, -0.0006679500000000 ] - [ -0.0000806100000000, 0.0004587600000000, -0.0007243700000000 ] - [ -0.0001011700000000, 0.0010064900000000, -0.0005264600000000 ] - [ 0.0000000000000000, 0.0006707200000000, -0.0004833600000000 ] - [ 0.0001011700000000, 0.0010064900000000, -0.0005264600000000 ] - [ 0.0001170200000000, 0.0002391100000000, 0.0005643500000000 ] - [ 0.0000000000000000, 0.0005498900000000, 0.0006321800000000 ] - [ -0.0001170200000000, 0.0002391100000000, 0.0005643500000000 ] - [ -0.0000647000000000, 0.0007860000000000, 0.0003654500000000 ] - [ 0.0000000000000000, 0.0006618300000000, 0.0004474200000000 ] - [ 0.0000647000000000, 0.0007860000000000, 0.0003654500000000 ] - [ 0.0000000000000000, 0.0211407400000000, 0.0324021000000000 ] - [ 0.0008715500000000, -0.0004595300000000, 0.0001041100000000 ] - [ -0.0008715500000000, -0.0004595300000000, 0.0001041100000000 ] - [ 0.0000000000000000, -0.0005955400000000, -0.0009782900000000 ] - [ -0.0000693300000000, -0.0005883800000000, -0.0008993800000000 ] - [ 0.0000693300000000, -0.0005883800000000, -0.0008993800000000 ] - [ 0.0000000000000000, -0.0003280800000000, 0.0003691700000000 ] - [ -0.0000214400000000, -0.0003090600000000, 0.0003038300000000 ] - [ 0.0000214400000000, -0.0003090600000000, 0.0003038300000000 ] - [ 0.0000000000000000, -0.0003246900000000, -0.0002642000000000 ] - [ -0.0000179200000000, -0.0003077200000000, -0.0002510700000000 ] - [ 0.0000179200000000, -0.0003077200000000, -0.0002510700000000 ] - [ 0.0004808000000000, 0.0006588100000000, -0.0009258100000000 ] - [ 0.0000000000000000, 0.0004265000000000, -0.0001273200000000 ] - [ -0.0004808000000000, 0.0006588100000000, -0.0009258100000000 ] - [ -0.0004446300000000, -0.0000364500000000, -0.0009257900000000 ] - [ 0.0000000000000000, 0.0002262500000000, -0.0001279900000000 ] - [ 0.0004446300000000, -0.0000364500000000, -0.0009257900000000 ] - [ -0.0000088200000000, -0.0005726900000000, 0.0007915500000000 ] - [ 0.0000000000000000, -0.0005801100000000, 0.0007543800000000 ] - [ 0.0000088200000000, -0.0005726900000000, 0.0007915500000000 ] - [ 0.0000142300000000, -0.0006399700000000, 0.0003575800000000 ] - [ 0.0000000000000000, -0.0006262900000000, 0.0003754500000000 ] - [ -0.0000142300000000, -0.0006399700000000, 0.0003575800000000 ] - [ 0.0000000000000000, 0.0006501500000000, -0.0010640600000000 ] - [ 0.0001316800000000, 0.0007342500000000, -0.0007915300000000 ] - [ -0.0001316800000000, 0.0007342500000000, -0.0007915300000000 ] - [ 0.0000000000000000, -0.0004819700000000, -0.0012158900000000 ] - [ -0.0005287700000000, -0.0000450500000000, -0.0002362600000000 ] - [ 0.0005287700000000, -0.0000450500000000, -0.0002362600000000 ] - [ 0.0000000000000000, 0.0016999300000000, -0.0000969400000000 ] - [ 0.0005098300000000, 0.0012893800000000, 0.0008576900000000 ] - [ -0.0005098300000000, 0.0012893800000000, 0.0008576900000000 ] - [ 0.0000000000000000, 0.0005694800000000, 0.0000477700000000 ] - [ -0.0001460100000000, 0.0005117100000000, 0.0002973600000000 ] - [ 0.0001460100000000, 0.0005117100000000, 0.0002973600000000 ] - [ 0.0000241200000000, -0.0006727500000000, -0.0002931800000000 ] - [ 0.0000000000000000, -0.0006431100000000, -0.0003644100000000 ] - [ -0.0000241200000000, -0.0006727500000000, -0.0002931800000000 ] - [ 0.0000009800000000, -0.0006085200000000, -0.0007358500000000 ] - [ 0.0000000000000000, -0.0005960900000000, -0.0007428900000000 ] - [ -0.0000009800000000, -0.0006085200000000, -0.0007358500000000 ] - [ -0.0000530700000000, -0.0003653600000000, 0.0042949600000000 ] - [ 0.0000000000000000, -0.0003292100000000, 0.0007961500000000 ] - [ 0.0000530700000000, -0.0003653600000000, 0.0042949600000000 ] - [ 0.0000156800000000, -0.0003096700000000, -0.0006540800000000 ] - [ 0.0000000000000000, -0.0003244800000000, -0.0004117100000000 ] - [ -0.0000156800000000, -0.0003096700000000, -0.0006540800000000 ] - [ 0.0000000000000000, 0.0003120400000000, -0.0000654300000000 ] - [ 0.0000612100000000, 0.0002899300000000, -0.0000625400000000 ] - [ -0.0000612100000000, 0.0002899300000000, -0.0000625400000000 ] - [ 0.0000000000000000, 0.0003383800000000, -0.0000649600000000 ] - [ -0.0000971600000000, 0.0003276000000000, -0.0000622700000000 ] - [ 0.0000971600000000, 0.0003276000000000, -0.0000622700000000 ] - [ 0.0000000000000000, 0.0028897500000000, -0.0843274000000000 ] - [ 0.0000191600000000, 0.0017825700000000, -0.0004841000000000 ] - [ -0.0000191600000000, 0.0017825700000000, -0.0004841000000000 ] - [ 0.0000000000000000, 0.0017842900000000, 0.0003739500000000 ] - [ 0.0000219200000000, 0.0017805600000000, 0.0002641300000000 ] - [ -0.0000219200000000, 0.0017805600000000, 0.0002641300000000 ] - [ -0.0000306400000000, -0.0017212500000000, 0.0001438300000000 ] - [ 0.0000000000000000, -0.0018246700000000, 0.0000265700000000 ] - [ 0.0000306400000000, -0.0017212500000000, 0.0001438300000000 ] - [ -0.0000130500000000, -0.0018403700000000, 0.0001442900000000 ] - [ 0.0000000000000000, -0.0017456000000000, 0.0000266800000000 ] - [ 0.0000130500000000, -0.0018403700000000, 0.0001442900000000 ] - [ -0.0000218100000000, 0.0017806300000000, -0.0002513100000000 ] - [ 0.0000000000000000, 0.0017845600000000, -0.0002132500000000 ] - [ 0.0000218100000000, 0.0017806300000000, -0.0002513100000000 ] - [ -0.0000220100000000, 0.0017810100000000, 0.0001833300000000 ] - [ 0.0000000000000000, 0.0017851800000000, 0.0001597000000000 ] - [ 0.0000220100000000, 0.0017810100000000, 0.0001833300000000 ] - [ 0.0000000000000000, -0.0018316200000000, 0.0006474800000000 ] - [ -0.0003564300000000, -0.0021184000000000, 0.0000008700000000 ] - [ 0.0003564300000000, -0.0021184000000000, 0.0000008700000000 ] - [ 0.0000000000000000, -0.0017455100000000, 0.0006496900000000 ] - [ 0.0003985300000000, -0.0014454600000000, 0.0000024200000000 ] - [ -0.0003985300000000, -0.0014454600000000, 0.0000024200000000 ]