# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/5ea43c8d-9711-4dfe-b768-438ab8ebb7d3/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 CsTm2Cu3Se5 / Cmcm (63) / materials id 581749](https://mdr.nims.go.jp/datasets/f88ce99c-3460-406b-b140-adf6e602b9c7) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "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, 1 ]primitive_cell: lattice: - [ 2.019296750000000, -7.172879725000000, 0.000000000000000 ] # a - [ 2.019296750000000, 7.172879725000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 16.875414209999999 ] # c points: - symbol: Cs # 1 coordinates: [ 0.060333530000000, 0.939666470000000, 0.250000000000000 ] mass: 132.905452 - symbol: Cs # 2 coordinates: [ 0.939666470000000, 0.060333530000000, 0.750000000000000 ] mass: 132.905452 - symbol: Tm # 3 coordinates: [ 0.192803500000000, 0.807196500000000, 0.591743440000000 ] mass: 168.934210 - symbol: Tm # 4 coordinates: [ 0.807196500000000, 0.192803500000000, 0.091743440000000 ] mass: 168.934210 - symbol: Tm # 5 coordinates: [ 0.807196500000000, 0.192803500000000, 0.408256560000000 ] mass: 168.934210 - symbol: Tm # 6 coordinates: [ 0.192803500000000, 0.807196500000000, 0.908256560000000 ] mass: 168.934210 - symbol: Cu # 7 coordinates: [ 0.584627370000000, 0.415372630000000, 0.030262050000000 ] mass: 63.546000 - symbol: Cu # 8 coordinates: [ 0.655329920000000, 0.344670080000000, 0.750000000000000 ] mass: 63.546000 - symbol: Cu # 9 coordinates: [ 0.415372630000000, 0.584627370000000, 0.969737950000000 ] mass: 63.546000 - symbol: Cu # 10 coordinates: [ 0.415372630000000, 0.584627370000000, 0.530262050000000 ] mass: 63.546000 - symbol: Cu # 11 coordinates: [ 0.344670080000000, 0.655329920000000, 0.250000000000000 ] mass: 63.546000 - symbol: Cu # 12 coordinates: [ 0.584627370000000, 0.415372630000000, 0.469737950000000 ] mass: 63.546000 - symbol: Se # 13 coordinates: [ 0.439268430000000, 0.560731570000000, 0.385937930000000 ] mass: 78.960000 - symbol: Se # 14 coordinates: [ 0.831812420000000, 0.168187580000000, 0.929148410000000 ] mass: 78.960000 - symbol: Se # 15 coordinates: [ 0.560731570000000, 0.439268430000000, 0.614062070000000 ] mass: 78.960000 - symbol: Se # 16 coordinates: [ 0.759170840000000, 0.240829160000000, 0.250000000000000 ] mass: 78.960000 - symbol: Se # 17 coordinates: [ 0.168187580000000, 0.831812420000000, 0.429148410000000 ] mass: 78.960000 - symbol: Se # 18 coordinates: [ 0.168187580000000, 0.831812420000000, 0.070851590000000 ] mass: 78.960000 - symbol: Se # 19 coordinates: [ 0.560731570000000, 0.439268430000000, 0.885937930000000 ] mass: 78.960000 - symbol: Se # 20 coordinates: [ 0.240829160000000, 0.759170840000000, 0.750000000000000 ] mass: 78.960000 - symbol: Se # 21 coordinates: [ 0.831812420000000, 0.168187580000000, 0.570851590000000 ] mass: 78.960000 - symbol: Se # 22 coordinates: [ 0.439268430000000, 0.560731570000000, 0.114062070000000 ] mass: 78.960000 reciprocal_lattice: # without 2pi - [ 0.247610956636265, -0.069707010178537, 0.000000000000000 ] # a* - [ 0.247610956636265, 0.069707010178537, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.059257804730353 ] # c*unit_cell: lattice: - [ 4.038593500000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 14.345759449999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 16.875414209999999 ] # c points: - symbol: Cs # 1 coordinates: [ 0.500000000000000, 0.439666470000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 2 coordinates: [ 0.000000000000000, 0.060333530000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 2 - symbol: Cs # 3 coordinates: [ 0.000000000000000, 0.939666470000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 4 coordinates: [ 0.500000000000000, 0.560333530000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 2 - symbol: Tm # 5 coordinates: [ 0.500000000000000, 0.307196500000000, 0.591743440000000 ] mass: 168.934210 reduced_to: 5 - symbol: Tm # 6 coordinates: [ 0.000000000000000, 0.192803500000000, 0.091743440000000 ] mass: 168.934210 reduced_to: 6 - symbol: Tm # 7 coordinates: [ 0.000000000000000, 0.192803500000000, 0.408256560000000 ] mass: 168.934210 reduced_to: 7 - symbol: Tm # 8 coordinates: [ 0.500000000000000, 0.307196500000000, 0.908256560000000 ] mass: 168.934210 reduced_to: 8 - symbol: Tm # 9 coordinates: [ 0.000000000000000, 0.807196500000000, 0.591743440000000 ] mass: 168.934210 reduced_to: 5 - symbol: Tm # 10 coordinates: [ 0.500000000000000, 0.692803500000000, 0.091743440000000 ] mass: 168.934210 reduced_to: 6 - symbol: Tm # 11 coordinates: [ 0.500000000000000, 0.692803500000000, 0.408256560000000 ] mass: 168.934210 reduced_to: 7 - symbol: Tm # 12 coordinates: [ 0.000000000000000, 0.807196500000000, 0.908256560000000 ] mass: 168.934210 reduced_to: 8 - symbol: Cu # 13 coordinates: [ 0.000000000000000, 0.415372630000000, 0.030262050000000 ] mass: 63.546000 reduced_to: 13 - symbol: Cu # 14 coordinates: [ 0.000000000000000, 0.344670080000000, 0.750000000000000 ] mass: 63.546000 reduced_to: 14 - symbol: Cu # 15 coordinates: [ 0.500000000000000, 0.084627370000000, 0.969737950000000 ] mass: 63.546000 reduced_to: 15 - symbol: Cu # 16 coordinates: [ 0.500000000000000, 0.084627370000000, 0.530262050000000 ] mass: 63.546000 reduced_to: 16 - symbol: Cu # 17 coordinates: [ 0.500000000000000, 0.155329920000000, 0.250000000000000 ] mass: 63.546000 reduced_to: 17 - symbol: Cu # 18 coordinates: [ 0.000000000000000, 0.415372630000000, 0.469737950000000 ] mass: 63.546000 reduced_to: 18 - symbol: Cu # 19 coordinates: [ 0.500000000000000, 0.915372630000000, 0.030262050000000 ] mass: 63.546000 reduced_to: 13 - symbol: Cu # 20 coordinates: [ 0.500000000000000, 0.844670080000000, 0.750000000000000 ] mass: 63.546000 reduced_to: 14 - symbol: Cu # 21 coordinates: [ 0.000000000000000, 0.584627370000000, 0.969737950000000 ] mass: 63.546000 reduced_to: 15 - symbol: Cu # 22 coordinates: [ 0.000000000000000, 0.584627370000000, 0.530262050000000 ] mass: 63.546000 reduced_to: 16 - symbol: Cu # 23 coordinates: [ 0.000000000000000, 0.655329920000000, 0.250000000000000 ] mass: 63.546000 reduced_to: 17 - symbol: Cu # 24 coordinates: [ 0.500000000000000, 0.915372630000000, 0.469737950000000 ] mass: 63.546000 reduced_to: 18 - symbol: Se # 25 coordinates: [ 0.500000000000000, 0.060731570000000, 0.385937930000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 26 coordinates: [ 0.000000000000000, 0.168187580000000, 0.929148410000000 ] mass: 78.960000 reduced_to: 26 - symbol: Se # 27 coordinates: [ 0.000000000000000, 0.439268430000000, 0.614062070000000 ] mass: 78.960000 reduced_to: 27 - symbol: Se # 28 coordinates: [ 0.000000000000000, 0.240829160000000, 0.250000000000000 ] mass: 78.960000 reduced_to: 28 - symbol: Se # 29 coordinates: [ 0.500000000000000, 0.331812420000000, 0.429148410000000 ] mass: 78.960000 reduced_to: 29 - symbol: Se # 30 coordinates: [ 0.500000000000000, 0.331812420000000, 0.070851590000000 ] mass: 78.960000 reduced_to: 30 - symbol: Se # 31 coordinates: [ 0.000000000000000, 0.439268430000000, 0.885937930000000 ] mass: 78.960000 reduced_to: 31 - symbol: Se # 32 coordinates: [ 0.500000000000000, 0.259170840000000, 0.750000000000000 ] mass: 78.960000 reduced_to: 32 - symbol: Se # 33 coordinates: [ 0.000000000000000, 0.168187580000000, 0.570851590000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 34 coordinates: [ 0.500000000000000, 0.060731570000000, 0.114062070000000 ] mass: 78.960000 reduced_to: 34 - symbol: Se # 35 coordinates: [ 0.000000000000000, 0.560731570000000, 0.385937930000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 36 coordinates: [ 0.500000000000000, 0.668187580000000, 0.929148410000000 ] mass: 78.960000 reduced_to: 26 - symbol: Se # 37 coordinates: [ 0.500000000000000, 0.939268430000000, 0.614062070000000 ] mass: 78.960000 reduced_to: 27 - symbol: Se # 38 coordinates: [ 0.500000000000000, 0.740829160000000, 0.250000000000000 ] mass: 78.960000 reduced_to: 28 - symbol: Se # 39 coordinates: [ 0.000000000000000, 0.831812420000000, 0.429148410000000 ] mass: 78.960000 reduced_to: 29 - symbol: Se # 40 coordinates: [ 0.000000000000000, 0.831812420000000, 0.070851590000000 ] mass: 78.960000 reduced_to: 30 - symbol: Se # 41 coordinates: [ 0.500000000000000, 0.939268430000000, 0.885937930000000 ] mass: 78.960000 reduced_to: 31 - symbol: Se # 42 coordinates: [ 0.000000000000000, 0.759170840000000, 0.750000000000000 ] mass: 78.960000 reduced_to: 32 - symbol: Se # 43 coordinates: [ 0.500000000000000, 0.668187580000000, 0.570851590000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 44 coordinates: [ 0.000000000000000, 0.560731570000000, 0.114062070000000 ] mass: 78.960000 reduced_to: 34supercell: lattice: - [ 12.115780500000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 14.345759449999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 16.875414209999999 ] # c points: - symbol: Cs # 1 coordinates: [ 0.166666666666667, 0.439666470000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 2 coordinates: [ 0.500000000000000, 0.439666470000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 3 coordinates: [ 0.833333333333333, 0.439666470000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 4 coordinates: [ 0.000000000000000, 0.060333530000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 4 - symbol: Cs # 5 coordinates: [ 0.333333333333333, 0.060333530000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 4 - symbol: Cs # 6 coordinates: [ 0.666666666666667, 0.060333530000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 4 - symbol: Cs # 7 coordinates: [ 0.000000000000000, 0.939666470000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 8 coordinates: [ 0.333333333333333, 0.939666470000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 9 coordinates: [ 0.666666666666667, 0.939666470000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 10 coordinates: [ 0.166666666666667, 0.560333530000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 4 - symbol: Cs # 11 coordinates: [ 0.500000000000000, 0.560333530000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 4 - symbol: Cs # 12 coordinates: [ 0.833333333333333, 0.560333530000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 4 - symbol: Tm # 13 coordinates: [ 0.166666666666667, 0.307196500000000, 0.591743440000000 ] mass: 168.934210 reduced_to: 13 - symbol: Tm # 14 coordinates: [ 0.500000000000000, 0.307196500000000, 0.591743440000000 ] mass: 168.934210 reduced_to: 13 - symbol: Tm # 15 coordinates: [ 0.833333333333333, 0.307196500000000, 0.591743440000000 ] mass: 168.934210 reduced_to: 13 - symbol: Tm # 16 coordinates: [ 0.000000000000000, 0.192803500000000, 0.091743440000000 ] mass: 168.934210 reduced_to: 16 - symbol: Tm # 17 coordinates: [ 0.333333333333333, 0.192803500000000, 0.091743440000000 ] mass: 168.934210 reduced_to: 16 - symbol: Tm # 18 coordinates: [ 0.666666666666667, 0.192803500000000, 0.091743440000000 ] mass: 168.934210 reduced_to: 16 - symbol: Tm # 19 coordinates: [ 0.000000000000000, 0.192803500000000, 0.408256560000000 ] mass: 168.934210 reduced_to: 19 - symbol: Tm # 20 coordinates: [ 0.333333333333333, 0.192803500000000, 0.408256560000000 ] mass: 168.934210 reduced_to: 19 - symbol: Tm # 21 coordinates: [ 0.666666666666667, 0.192803500000000, 0.408256560000000 ] mass: 168.934210 reduced_to: 19 - symbol: Tm # 22 coordinates: [ 0.166666666666667, 0.307196500000000, 0.908256560000000 ] mass: 168.934210 reduced_to: 22 - symbol: Tm # 23 coordinates: [ 0.500000000000000, 0.307196500000000, 0.908256560000000 ] mass: 168.934210 reduced_to: 22 - symbol: Tm # 24 coordinates: [ 0.833333333333333, 0.307196500000000, 0.908256560000000 ] mass: 168.934210 reduced_to: 22 - symbol: Tm # 25 coordinates: [ 0.000000000000000, 0.807196500000000, 0.591743440000000 ] mass: 168.934210 reduced_to: 13 - symbol: Tm # 26 coordinates: [ 0.333333333333333, 0.807196500000000, 0.591743440000000 ] mass: 168.934210 reduced_to: 13 - symbol: Tm # 27 coordinates: [ 0.666666666666667, 0.807196500000000, 0.591743440000000 ] mass: 168.934210 reduced_to: 13 - symbol: Tm # 28 coordinates: [ 0.166666666666667, 0.692803500000000, 0.091743440000000 ] mass: 168.934210 reduced_to: 16 - symbol: Tm # 29 coordinates: [ 0.500000000000000, 0.692803500000000, 0.091743440000000 ] mass: 168.934210 reduced_to: 16 - symbol: Tm # 30 coordinates: [ 0.833333333333333, 0.692803500000000, 0.091743440000000 ] mass: 168.934210 reduced_to: 16 - symbol: Tm # 31 coordinates: [ 0.166666666666667, 0.692803500000000, 0.408256560000000 ] mass: 168.934210 reduced_to: 19 - symbol: Tm # 32 coordinates: [ 0.500000000000000, 0.692803500000000, 0.408256560000000 ] mass: 168.934210 reduced_to: 19 - symbol: Tm # 33 coordinates: [ 0.833333333333333, 0.692803500000000, 0.408256560000000 ] mass: 168.934210 reduced_to: 19 - symbol: Tm # 34 coordinates: [ 0.000000000000000, 0.807196500000000, 0.908256560000000 ] mass: 168.934210 reduced_to: 22 - symbol: Tm # 35 coordinates: [ 0.333333333333333, 0.807196500000000, 0.908256560000000 ] mass: 168.934210 reduced_to: 22 - symbol: Tm # 36 coordinates: [ 0.666666666666667, 0.807196500000000, 0.908256560000000 ] mass: 168.934210 reduced_to: 22 - symbol: Cu # 37 coordinates: [ 0.000000000000000, 0.415372630000000, 0.030262050000000 ] mass: 63.546000 reduced_to: 37 - symbol: Cu # 38 coordinates: [ 0.333333333333333, 0.415372630000000, 0.030262050000000 ] mass: 63.546000 reduced_to: 37 - symbol: Cu # 39 coordinates: [ 0.666666666666667, 0.415372630000000, 0.030262050000000 ] mass: 63.546000 reduced_to: 37 - symbol: Cu # 40 coordinates: [ 0.000000000000000, 0.344670080000000, 0.750000000000000 ] mass: 63.546000 reduced_to: 40 - symbol: Cu # 41 coordinates: [ 0.333333333333333, 0.344670080000000, 0.750000000000000 ] mass: 63.546000 reduced_to: 40 - symbol: Cu # 42 coordinates: [ 0.666666666666667, 0.344670080000000, 0.750000000000000 ] mass: 63.546000 reduced_to: 40 - symbol: Cu # 43 coordinates: [ 0.166666666666667, 0.084627370000000, 0.969737950000000 ] mass: 63.546000 reduced_to: 43 - symbol: Cu # 44 coordinates: [ 0.500000000000000, 0.084627370000000, 0.969737950000000 ] mass: 63.546000 reduced_to: 43 - symbol: Cu # 45 coordinates: [ 0.833333333333333, 0.084627370000000, 0.969737950000000 ] mass: 63.546000 reduced_to: 43 - symbol: Cu # 46 coordinates: [ 0.166666666666667, 0.084627370000000, 0.530262050000000 ] mass: 63.546000 reduced_to: 46 - symbol: Cu # 47 coordinates: [ 0.500000000000000, 0.084627370000000, 0.530262050000000 ] mass: 63.546000 reduced_to: 46 - symbol: Cu # 48 coordinates: [ 0.833333333333333, 0.084627370000000, 0.530262050000000 ] mass: 63.546000 reduced_to: 46 - symbol: Cu # 49 coordinates: [ 0.166666666666667, 0.155329920000000, 0.250000000000000 ] mass: 63.546000 reduced_to: 49 - symbol: Cu # 50 coordinates: [ 0.500000000000000, 0.155329920000000, 0.250000000000000 ] mass: 63.546000 reduced_to: 49 - symbol: Cu # 51 coordinates: [ 0.833333333333333, 0.155329920000000, 0.250000000000000 ] mass: 63.546000 reduced_to: 49 - symbol: Cu # 52 coordinates: [ 0.000000000000000, 0.415372630000000, 0.469737950000000 ] mass: 63.546000 reduced_to: 52 - symbol: Cu # 53 coordinates: [ 0.333333333333333, 0.415372630000000, 0.469737950000000 ] mass: 63.546000 reduced_to: 52 - symbol: Cu # 54 coordinates: [ 0.666666666666667, 0.415372630000000, 0.469737950000000 ] mass: 63.546000 reduced_to: 52 - symbol: Cu # 55 coordinates: [ 0.166666666666667, 0.915372630000000, 0.030262050000000 ] mass: 63.546000 reduced_to: 37 - symbol: Cu # 56 coordinates: [ 0.500000000000000, 0.915372630000000, 0.030262050000000 ] mass: 63.546000 reduced_to: 37 - symbol: Cu # 57 coordinates: [ 0.833333333333333, 0.915372630000000, 0.030262050000000 ] mass: 63.546000 reduced_to: 37 - symbol: Cu # 58 coordinates: [ 0.166666666666667, 0.844670080000000, 0.750000000000000 ] mass: 63.546000 reduced_to: 40 - symbol: Cu # 59 coordinates: [ 0.500000000000000, 0.844670080000000, 0.750000000000000 ] mass: 63.546000 reduced_to: 40 - symbol: Cu # 60 coordinates: [ 0.833333333333333, 0.844670080000000, 0.750000000000000 ] mass: 63.546000 reduced_to: 40 - symbol: Cu # 61 coordinates: [ 0.000000000000000, 0.584627370000000, 0.969737950000000 ] mass: 63.546000 reduced_to: 43 - symbol: Cu # 62 coordinates: [ 0.333333333333333, 0.584627370000000, 0.969737950000000 ] mass: 63.546000 reduced_to: 43 - symbol: Cu # 63 coordinates: [ 0.666666666666667, 0.584627370000000, 0.969737950000000 ] mass: 63.546000 reduced_to: 43 - symbol: Cu # 64 coordinates: [ 0.000000000000000, 0.584627370000000, 0.530262050000000 ] mass: 63.546000 reduced_to: 46 - symbol: Cu # 65 coordinates: [ 0.333333333333333, 0.584627370000000, 0.530262050000000 ] mass: 63.546000 reduced_to: 46 - symbol: Cu # 66 coordinates: [ 0.666666666666667, 0.584627370000000, 0.530262050000000 ] mass: 63.546000 reduced_to: 46 - symbol: Cu # 67 coordinates: [ 0.000000000000000, 0.655329920000000, 0.250000000000000 ] mass: 63.546000 reduced_to: 49 - symbol: Cu # 68 coordinates: [ 0.333333333333333, 0.655329920000000, 0.250000000000000 ] mass: 63.546000 reduced_to: 49 - symbol: Cu # 69 coordinates: [ 0.666666666666667, 0.655329920000000, 0.250000000000000 ] mass: 63.546000 reduced_to: 49 - symbol: Cu # 70 coordinates: [ 0.166666666666667, 0.915372630000000, 0.469737950000000 ] mass: 63.546000 reduced_to: 52 - symbol: Cu # 71 coordinates: [ 0.500000000000000, 0.915372630000000, 0.469737950000000 ] mass: 63.546000 reduced_to: 52 - symbol: Cu # 72 coordinates: [ 0.833333333333333, 0.915372630000000, 0.469737950000000 ] mass: 63.546000 reduced_to: 52 - symbol: Se # 73 coordinates: [ 0.166666666666667, 0.060731570000000, 0.385937930000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 74 coordinates: [ 0.500000000000000, 0.060731570000000, 0.385937930000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 75 coordinates: [ 0.833333333333333, 0.060731570000000, 0.385937930000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 76 coordinates: [ 0.000000000000000, 0.168187580000000, 0.929148410000000 ] mass: 78.960000 reduced_to: 76 - symbol: Se # 77 coordinates: [ 0.333333333333333, 0.168187580000000, 0.929148410000000 ] mass: 78.960000 reduced_to: 76 - symbol: Se # 78 coordinates: [ 0.666666666666667, 0.168187580000000, 0.929148410000000 ] mass: 78.960000 reduced_to: 76 - symbol: Se # 79 coordinates: [ 0.000000000000000, 0.439268430000000, 0.614062070000000 ] mass: 78.960000 reduced_to: 79 - symbol: Se # 80 coordinates: [ 0.333333333333333, 0.439268430000000, 0.614062070000000 ] mass: 78.960000 reduced_to: 79 - symbol: Se # 81 coordinates: [ 0.666666666666667, 0.439268430000000, 0.614062070000000 ] mass: 78.960000 reduced_to: 79 - symbol: Se # 82 coordinates: [ 0.000000000000000, 0.240829160000000, 0.250000000000000 ] mass: 78.960000 reduced_to: 82 - symbol: Se # 83 coordinates: [ 0.333333333333333, 0.240829160000000, 0.250000000000000 ] mass: 78.960000 reduced_to: 82 - symbol: Se # 84 coordinates: [ 0.666666666666667, 0.240829160000000, 0.250000000000000 ] mass: 78.960000 reduced_to: 82 - symbol: Se # 85 coordinates: [ 0.166666666666667, 0.331812420000000, 0.429148410000000 ] mass: 78.960000 reduced_to: 85 - symbol: Se # 86 coordinates: [ 0.500000000000000, 0.331812420000000, 0.429148410000000 ] mass: 78.960000 reduced_to: 85 - symbol: Se # 87 coordinates: [ 0.833333333333333, 0.331812420000000, 0.429148410000000 ] mass: 78.960000 reduced_to: 85 - symbol: Se # 88 coordinates: [ 0.166666666666667, 0.331812420000000, 0.070851590000000 ] mass: 78.960000 reduced_to: 88 - symbol: Se # 89 coordinates: [ 0.500000000000000, 0.331812420000000, 0.070851590000000 ] mass: 78.960000 reduced_to: 88 - symbol: Se # 90 coordinates: [ 0.833333333333333, 0.331812420000000, 0.070851590000000 ] mass: 78.960000 reduced_to: 88 - symbol: Se # 91 coordinates: [ 0.000000000000000, 0.439268430000000, 0.885937930000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 92 coordinates: [ 0.333333333333333, 0.439268430000000, 0.885937930000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 93 coordinates: [ 0.666666666666667, 0.439268430000000, 0.885937930000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 94 coordinates: [ 0.166666666666667, 0.259170840000000, 0.750000000000000 ] mass: 78.960000 reduced_to: 94 - symbol: Se # 95 coordinates: [ 0.500000000000000, 0.259170840000000, 0.750000000000000 ] mass: 78.960000 reduced_to: 94 - symbol: Se # 96 coordinates: [ 0.833333333333333, 0.259170840000000, 0.750000000000000 ] mass: 78.960000 reduced_to: 94 - symbol: Se # 97 coordinates: [ 0.000000000000000, 0.168187580000000, 0.570851590000000 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 98 coordinates: [ 0.333333333333333, 0.168187580000000, 0.570851590000000 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 99 coordinates: [ 0.666666666666667, 0.168187580000000, 0.570851590000000 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 100 coordinates: [ 0.166666666666667, 0.060731570000000, 0.114062070000000 ] mass: 78.960000 reduced_to: 100 - symbol: Se # 101 coordinates: [ 0.500000000000000, 0.060731570000000, 0.114062070000000 ] mass: 78.960000 reduced_to: 100 - symbol: Se # 102 coordinates: [ 0.833333333333333, 0.060731570000000, 0.114062070000000 ] mass: 78.960000 reduced_to: 100 - symbol: Se # 103 coordinates: [ 0.000000000000000, 0.560731570000000, 0.385937930000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 104 coordinates: [ 0.333333333333333, 0.560731570000000, 0.385937930000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 105 coordinates: [ 0.666666666666667, 0.560731570000000, 0.385937930000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 106 coordinates: [ 0.166666666666667, 0.668187580000000, 0.929148410000000 ] mass: 78.960000 reduced_to: 76 - symbol: Se # 107 coordinates: [ 0.500000000000000, 0.668187580000000, 0.929148410000000 ] mass: 78.960000 reduced_to: 76 - symbol: Se # 108 coordinates: [ 0.833333333333333, 0.668187580000000, 0.929148410000000 ] mass: 78.960000 reduced_to: 76 - symbol: Se # 109 coordinates: [ 0.166666666666667, 0.939268430000000, 0.614062070000000 ] mass: 78.960000 reduced_to: 79 - symbol: Se # 110 coordinates: [ 0.500000000000000, 0.939268430000000, 0.614062070000000 ] mass: 78.960000 reduced_to: 79 - symbol: Se # 111 coordinates: [ 0.833333333333333, 0.939268430000000, 0.614062070000000 ] mass: 78.960000 reduced_to: 79 - symbol: Se # 112 coordinates: [ 0.166666666666667, 0.740829160000000, 0.250000000000000 ] mass: 78.960000 reduced_to: 82 - symbol: Se # 113 coordinates: [ 0.500000000000000, 0.740829160000000, 0.250000000000000 ] mass: 78.960000 reduced_to: 82 - symbol: Se # 114 coordinates: [ 0.833333333333333, 0.740829160000000, 0.250000000000000 ] mass: 78.960000 reduced_to: 82 - symbol: Se # 115 coordinates: [ 0.000000000000000, 0.831812420000000, 0.429148410000000 ] mass: 78.960000 reduced_to: 85 - symbol: Se # 116 coordinates: [ 0.333333333333333, 0.831812420000000, 0.429148410000000 ] mass: 78.960000 reduced_to: 85 - symbol: Se # 117 coordinates: [ 0.666666666666667, 0.831812420000000, 0.429148410000000 ] mass: 78.960000 reduced_to: 85 - symbol: Se # 118 coordinates: [ 0.000000000000000, 0.831812420000000, 0.070851590000000 ] mass: 78.960000 reduced_to: 88 - symbol: Se # 119 coordinates: [ 0.333333333333333, 0.831812420000000, 0.070851590000000 ] mass: 78.960000 reduced_to: 88 - symbol: Se # 120 coordinates: [ 0.666666666666667, 0.831812420000000, 0.070851590000000 ] mass: 78.960000 reduced_to: 88 - symbol: Se # 121 coordinates: [ 0.166666666666667, 0.939268430000000, 0.885937930000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 122 coordinates: [ 0.500000000000000, 0.939268430000000, 0.885937930000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 123 coordinates: [ 0.833333333333333, 0.939268430000000, 0.885937930000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 124 coordinates: [ 0.000000000000000, 0.759170840000000, 0.750000000000000 ] mass: 78.960000 reduced_to: 94 - symbol: Se # 125 coordinates: [ 0.333333333333333, 0.759170840000000, 0.750000000000000 ] mass: 78.960000 reduced_to: 94 - symbol: Se # 126 coordinates: [ 0.666666666666667, 0.759170840000000, 0.750000000000000 ] mass: 78.960000 reduced_to: 94 - symbol: Se # 127 coordinates: [ 0.166666666666667, 0.668187580000000, 0.570851590000000 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 128 coordinates: [ 0.500000000000000, 0.668187580000000, 0.570851590000000 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 129 coordinates: [ 0.833333333333333, 0.668187580000000, 0.570851590000000 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 130 coordinates: [ 0.000000000000000, 0.560731570000000, 0.114062070000000 ] mass: 78.960000 reduced_to: 100 - symbol: Se # 131 coordinates: [ 0.333333333333333, 0.560731570000000, 0.114062070000000 ] mass: 78.960000 reduced_to: 100 - symbol: Se # 132 coordinates: [ 0.666666666666667, 0.560731570000000, 0.114062070000000 ] mass: 78.960000 reduced_to: 100displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0235720400000000, -0.0017876100000000, 0.0000000000000000 ] - [ 0.0032414900000000, -0.0004937600000000, 0.0000000000000000 ] - [ 0.0031877500000000, -0.0005278900000000, 0.0000000000000000 ] - [ -0.0000062700000000, 0.0005538700000000, 0.0000000000000000 ] - [ -0.0000069700000000, 0.0005039200000000, 0.0000000000000000 ] - [ 0.0000139700000000, 0.0005290900000000, 0.0000000000000000 ] - [ 0.0000157200000000, -0.0004666400000000, 0.0000000000000000 ] - [ 0.0000160000000000, -0.0005544700000000, 0.0000000000000000 ] - [ 0.0000581300000000, -0.0005107700000000, 0.0000000000000000 ] - [ -0.0000687200000000, 0.0005298700000000, 0.0000000000000000 ] - [ 0.0000266500000000, 0.0005573800000000, 0.0000000000000000 ] - [ 0.0000273500000000, 0.0005024100000000, 0.0000000000000000 ] - [ -0.0002184400000000, 0.0022305300000000, 0.0005848800000000 ] - [ 0.0001324500000000, 0.0021514100000000, 0.0007066200000000 ] - [ 0.0001320600000000, 0.0023094000000000, 0.0004642800000000 ] - [ -0.0001613400000000, -0.0018452700000000, 0.0014165700000000 ] - [ -0.0001623700000000, -0.0025824700000000, -0.0002468500000000 ] - [ 0.0003495800000000, -0.0022138500000000, 0.0005843800000000 ] - [ -0.0001613400000000, -0.0018452700000000, -0.0014165700000000 ] - [ -0.0001623700000000, -0.0025824700000000, 0.0002468500000000 ] - [ 0.0003495800000000, -0.0022138500000000, -0.0005843800000000 ] - [ -0.0002184400000000, 0.0022305300000000, -0.0005848800000000 ] - [ 0.0001324500000000, 0.0021514100000000, -0.0007066200000000 ] - [ 0.0001320600000000, 0.0023094000000000, -0.0004642800000000 ] - [ -0.0000547800000000, 0.0022332300000000, 0.0005513700000000 ] - [ -0.0000536800000000, 0.0022283400000000, 0.0006198600000000 ] - [ 0.0000686900000000, 0.0022309200000000, 0.0005851500000000 ] - [ -0.0011255500000000, -0.0022143600000000, 0.0005858800000000 ] - [ 0.0005714900000000, -0.0018203800000000, 0.0002597200000000 ] - [ 0.0005727800000000, -0.0026000200000000, 0.0009058900000000 ] - [ -0.0011255500000000, -0.0022143600000000, -0.0005858800000000 ] - [ 0.0005714900000000, -0.0018203800000000, -0.0002597200000000 ] - [ 0.0005727800000000, -0.0026000200000000, -0.0009058900000000 ] - [ -0.0000547800000000, 0.0022332300000000, -0.0005513700000000 ] - [ -0.0000536800000000, 0.0022283400000000, -0.0006198600000000 ] - [ 0.0000686900000000, 0.0022309200000000, -0.0005851500000000 ] - [ -0.0000942900000000, -0.0019754700000000, 0.0012413200000000 ] - [ -0.0000947600000000, -0.0024517700000000, 0.0007009000000000 ] - [ 0.0001152400000000, -0.0022131200000000, 0.0009746800000000 ] - [ -0.0000108800000000, -0.0027569300000000, 0.0000000000000000 ] - [ -0.0000112800000000, -0.0030258000000000, 0.0000000000000000 ] - [ 0.0000074700000000, -0.0028936500000000, 0.0000000000000000 ] - [ 0.0000251800000000, 0.0022319800000000, -0.0009747500000000 ] - [ -0.0000154600000000, 0.0022520600000000, -0.0010068700000000 ] - [ -0.0000160000000000, 0.0022127900000000, -0.0009415500000000 ] - [ 0.0000251800000000, 0.0022319800000000, 0.0009747500000000 ] - [ -0.0000154600000000, 0.0022520600000000, 0.0010068700000000 ] - [ -0.0000160000000000, 0.0022127900000000, 0.0009415500000000 ] - [ -0.0006077000000000, 0.0029081200000000, 0.0000000000000000 ] - [ 0.0000539000000000, 0.0028647600000000, 0.0000000000000000 ] - [ 0.0000594800000000, 0.0029576200000000, 0.0000000000000000 ] - [ -0.0000942900000000, -0.0019754700000000, -0.0012413200000000 ] - [ -0.0000947600000000, -0.0024517700000000, -0.0007009000000000 ] - [ 0.0001152400000000, -0.0022131200000000, -0.0009746800000000 ] - [ -0.0000094100000000, -0.0022124200000000, 0.0009747500000000 ] - [ -0.0000057400000000, -0.0022720200000000, 0.0009780300000000 ] - [ -0.0000062200000000, -0.0021533200000000, 0.0009715200000000 ] - [ -0.0000106600000000, -0.0028926100000000, 0.0000000000000000 ] - [ -0.0000075700000000, -0.0029011700000000, 0.0000000000000000 ] - [ -0.0000075200000000, -0.0028849200000000, 0.0000000000000000 ] - [ 0.0000554500000000, 0.0022075800000000, -0.0007184800000000 ] - [ 0.0000576800000000, 0.0022589900000000, -0.0012279600000000 ] - [ -0.0000203500000000, 0.0022316800000000, -0.0009751000000000 ] - [ 0.0000554500000000, 0.0022075800000000, 0.0007184800000000 ] - [ 0.0000576800000000, 0.0022589900000000, 0.0012279600000000 ] - [ -0.0000203500000000, 0.0022316800000000, 0.0009751000000000 ] - [ 0.0006337000000000, 0.0013724900000000, 0.0000000000000000 ] - [ 0.0006330300000000, 0.0044558500000000, 0.0000000000000000 ] - [ 0.0000366400000000, 0.0029090700000000, 0.0000000000000000 ] - [ -0.0000094100000000, -0.0022124200000000, -0.0009747500000000 ] - [ -0.0000057400000000, -0.0022720200000000, -0.0009780300000000 ] - [ -0.0000062200000000, -0.0021533200000000, -0.0009715200000000 ] - [ 0.0001904500000000, 0.0010873500000000, 0.0007344500000000 ] - [ -0.0000988300000000, 0.0011035000000000, 0.0006181900000000 ] - [ -0.0000996100000000, 0.0010706700000000, 0.0008540500000000 ] - [ 0.0000803300000000, -0.0041826100000000, -0.0014214000000000 ] - [ 0.0000811100000000, -0.0042028000000000, -0.0011903900000000 ] - [ -0.0001287000000000, -0.0041921700000000, -0.0013054100000000 ] - [ 0.0000357200000000, -0.0011627500000000, -0.0005237200000000 ] - [ 0.0000362600000000, -0.0009714500000000, -0.0009455400000000 ] - [ -0.0000818100000000, -0.0010684100000000, -0.0007341600000000 ] - [ 0.0029658700000000, 0.0012251800000000, 0.0000000000000000 ] - [ 0.0030114000000000, -0.0067669400000000, 0.0000000000000000 ] - [ -0.0002243300000000, -0.0027230500000000, 0.0000000000000000 ] - [ 0.0000038300000000, 0.0042187300000000, -0.0013230900000000 ] - [ -0.0000943200000000, 0.0043354200000000, -0.0014556000000000 ] - [ -0.0000948000000000, 0.0040881300000000, -0.0011598800000000 ] - [ 0.0000038300000000, 0.0042187300000000, 0.0013230900000000 ] - [ -0.0000943200000000, 0.0043354200000000, 0.0014556000000000 ] - [ -0.0000948000000000, 0.0040881300000000, 0.0011598800000000 ] - [ 0.0000357200000000, -0.0011627500000000, 0.0005237200000000 ] - [ 0.0000362600000000, -0.0009714500000000, 0.0009455400000000 ] - [ -0.0000818100000000, -0.0010684100000000, 0.0007341600000000 ] - [ 0.0001271100000000, 0.0027442100000000, 0.0000000000000000 ] - [ -0.0000785800000000, 0.0028499600000000, 0.0000000000000000 ] - [ -0.0000780700000000, 0.0026382300000000, 0.0000000000000000 ] - [ 0.0000803300000000, -0.0041826100000000, 0.0014214000000000 ] - [ 0.0000811100000000, -0.0042028000000000, 0.0011903900000000 ] - [ -0.0001287000000000, -0.0041921700000000, 0.0013054100000000 ] - [ 0.0001904500000000, 0.0010873500000000, -0.0007344500000000 ] - [ -0.0000988300000000, 0.0011035000000000, -0.0006181900000000 ] - [ -0.0000996100000000, 0.0010706700000000, -0.0008540500000000 ] - [ 0.0026712500000000, -0.0011745100000000, -0.0022837600000000 ] - [ 0.0027051300000000, 0.0034005900000000, 0.0038259100000000 ] - [ -0.0003055600000000, 0.0010861900000000, 0.0007314100000000 ] - [ 0.0002158300000000, -0.0041936000000000, -0.0013056400000000 ] - [ -0.0000206000000000, -0.0041883000000000, -0.0012785000000000 ] - [ -0.0000202400000000, -0.0041955900000000, -0.0013345200000000 ] - [ 0.0000129000000000, -0.0010682100000000, -0.0007333200000000 ] - [ -0.0000087000000000, -0.0010517100000000, -0.0007248800000000 ] - [ -0.0000081700000000, -0.0010846800000000, -0.0007423500000000 ] - [ 0.0001828500000000, -0.0027236100000000, 0.0000000000000000 ] - [ 0.0000498500000000, -0.0027442300000000, 0.0000000000000000 ] - [ 0.0000506800000000, -0.0027054300000000, 0.0000000000000000 ] - [ 0.0000966500000000, 0.0042761500000000, -0.0012729700000000 ] - [ 0.0000962200000000, 0.0041467900000000, -0.0013408000000000 ] - [ -0.0001925200000000, 0.0042116100000000, -0.0013066200000000 ] - [ 0.0000966500000000, 0.0042761500000000, 0.0012729700000000 ] - [ 0.0000962200000000, 0.0041467900000000, 0.0013408000000000 ] - [ -0.0001925200000000, 0.0042116100000000, 0.0013066200000000 ] - [ 0.0000129000000000, -0.0010682100000000, 0.0007333200000000 ] - [ -0.0000087000000000, -0.0010517100000000, 0.0007248800000000 ] - [ -0.0000081700000000, -0.0010846800000000, 0.0007423500000000 ] - [ 0.0000521300000000, 0.0027085900000000, 0.0000000000000000 ] - [ 0.0000519800000000, 0.0027792500000000, 0.0000000000000000 ] - [ -0.0000405800000000, 0.0027440900000000, 0.0000000000000000 ] - [ 0.0002158300000000, -0.0041936000000000, 0.0013056400000000 ] - [ -0.0000206000000000, -0.0041883000000000, 0.0012785000000000 ] - [ -0.0000202400000000, -0.0041955900000000, 0.0013345200000000 ] - [ 0.0026712500000000, -0.0011745100000000, 0.0022837600000000 ] - [ 0.0027051300000000, 0.0034005900000000, -0.0038259100000000 ] - [ -0.0003055600000000, 0.0010861900000000, -0.0007314100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0292376400000000, 0.0000000000000000 ] - [ -0.0000251100000000, -0.0014954900000000, 0.0000000000000000 ] - [ 0.0000251100000000, -0.0014954900000000, 0.0000000000000000 ] - [ 0.0000254000000000, 0.0005856900000000, 0.0000000000000000 ] - [ -0.0000254000000000, 0.0005856900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005740100000000, 0.0000000000000000 ] - [ -0.0000442700000000, -0.0000581700000000, 0.0000000000000000 ] - [ 0.0000442700000000, -0.0000581700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003022800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004643400000000, 0.0000000000000000 ] - [ 0.0000271100000000, 0.0004690900000000, 0.0000000000000000 ] - [ -0.0000271100000000, 0.0004690900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0020580100000000, 0.0000213200000000 ] - [ -0.0000154400000000, 0.0020910600000000, 0.0004678000000000 ] - [ 0.0000154400000000, 0.0020910600000000, 0.0004678000000000 ] - [ 0.0004549300000000, -0.0016886700000000, 0.0019211700000000 ] - [ -0.0004549300000000, -0.0016886700000000, 0.0019211700000000 ] - [ 0.0000000000000000, -0.0022225400000000, 0.0008408300000000 ] - [ 0.0004549300000000, -0.0016886700000000, -0.0019211700000000 ] - [ -0.0004549300000000, -0.0016886700000000, -0.0019211700000000 ] - [ 0.0000000000000000, -0.0022225400000000, -0.0008408300000000 ] - [ 0.0000000000000000, 0.0020580100000000, -0.0000213200000000 ] - [ -0.0000154400000000, 0.0020910600000000, -0.0004678000000000 ] - [ 0.0000154400000000, 0.0020910600000000, -0.0004678000000000 ] - [ -0.0000441000000000, 0.0024510000000000, 0.0007755100000000 ] - [ 0.0000441000000000, 0.0024510000000000, 0.0007755100000000 ] - [ 0.0000000000000000, 0.0023665300000000, 0.0006820400000000 ] - [ 0.0000000000000000, -0.0001524700000000, -0.0015592600000000 ] - [ 0.0005473000000000, -0.0016852700000000, 0.0001402100000000 ] - [ -0.0005473000000000, -0.0016852700000000, 0.0001402100000000 ] - [ 0.0000000000000000, -0.0001524700000000, 0.0015592600000000 ] - [ 0.0005473000000000, -0.0016852700000000, -0.0001402100000000 ] - [ -0.0005473000000000, -0.0016852700000000, -0.0001402100000000 ] - [ -0.0000441000000000, 0.0024510000000000, -0.0007755100000000 ] - [ 0.0000441000000000, 0.0024510000000000, -0.0007755100000000 ] - [ 0.0000000000000000, 0.0023665300000000, -0.0006820400000000 ] - [ 0.0002358000000000, -0.0027226200000000, 0.0007912700000000 ] - [ -0.0002358000000000, -0.0027226200000000, 0.0007912700000000 ] - [ 0.0000000000000000, -0.0023760400000000, 0.0009303600000000 ] - [ -0.0000102200000000, -0.0029753800000000, 0.0000000000000000 ] - [ 0.0000102200000000, -0.0029753800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0029286600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0022501100000000, -0.0008125700000000 ] - [ -0.0000120300000000, 0.0022798100000000, -0.0009189800000000 ] - [ 0.0000120300000000, 0.0022798100000000, -0.0009189800000000 ] - [ 0.0000000000000000, 0.0022501100000000, 0.0008125700000000 ] - [ -0.0000120300000000, 0.0022798100000000, 0.0009189800000000 ] - [ 0.0000120300000000, 0.0022798100000000, 0.0009189800000000 ] - [ 0.0000000000000000, 0.0038564800000000, 0.0000000000000000 ] - [ -0.0001673400000000, 0.0033443700000000, 0.0000000000000000 ] - [ 0.0001673400000000, 0.0033443700000000, 0.0000000000000000 ] - [ 0.0002358000000000, -0.0027226200000000, -0.0007912700000000 ] - [ -0.0002358000000000, -0.0027226200000000, -0.0007912700000000 ] - [ 0.0000000000000000, -0.0023760400000000, -0.0009303600000000 ] - [ 0.0000000000000000, -0.0019983300000000, 0.0010977500000000 ] - [ 0.0000291900000000, -0.0020801200000000, 0.0010327000000000 ] - [ -0.0000291900000000, -0.0020801200000000, 0.0010327000000000 ] - [ 0.0000000000000000, -0.0028038100000000, 0.0000000000000000 ] - [ -0.0000022700000000, -0.0028626800000000, 0.0000000000000000 ] - [ 0.0000022700000000, -0.0028626800000000, 0.0000000000000000 ] - [ -0.0000317800000000, 0.0021554400000000, -0.0012738300000000 ] - [ 0.0000317800000000, 0.0021554400000000, -0.0012738300000000 ] - [ 0.0000000000000000, 0.0021605800000000, -0.0010107400000000 ] - [ -0.0000317800000000, 0.0021554400000000, 0.0012738300000000 ] - [ 0.0000317800000000, 0.0021554400000000, 0.0012738300000000 ] - [ 0.0000000000000000, 0.0021605800000000, 0.0010107400000000 ] - [ -0.0015534700000000, 0.0048011400000000, 0.0000000000000000 ] - [ 0.0015534700000000, 0.0048011400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0027529300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0019983300000000, -0.0010977500000000 ] - [ 0.0000291900000000, -0.0020801200000000, -0.0010327000000000 ] - [ -0.0000291900000000, -0.0020801200000000, -0.0010327000000000 ] - [ 0.0000000000000000, 0.0006407300000000, 0.0013088100000000 ] - [ 0.0001046100000000, 0.0008384100000000, 0.0009227300000000 ] - [ -0.0001046100000000, 0.0008384100000000, 0.0009227300000000 ] - [ -0.0000673900000000, -0.0041587300000000, -0.0016113200000000 ] - [ 0.0000673900000000, -0.0041587300000000, -0.0016113200000000 ] - [ 0.0000000000000000, -0.0041857100000000, -0.0013825900000000 ] - [ -0.0000728900000000, -0.0008496600000000, -0.0007460600000000 ] - [ 0.0000728900000000, -0.0008496600000000, -0.0007460600000000 ] - [ 0.0000000000000000, -0.0009612900000000, -0.0006957200000000 ] - [ 0.0040411800000000, 0.0016466400000000, 0.0000000000000000 ] - [ -0.0040411800000000, 0.0016466400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0029023400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0067147200000000, -0.0061955800000000 ] - [ 0.0001075300000000, 0.0044146200000000, -0.0011961800000000 ] - [ -0.0001075300000000, 0.0044146200000000, -0.0011961800000000 ] - [ 0.0000000000000000, 0.0067147200000000, 0.0061955800000000 ] - [ 0.0001075300000000, 0.0044146200000000, 0.0011961800000000 ] - [ -0.0001075300000000, 0.0044146200000000, 0.0011961800000000 ] - [ -0.0000728900000000, -0.0008496600000000, 0.0007460600000000 ] - [ 0.0000728900000000, -0.0008496600000000, 0.0007460600000000 ] - [ 0.0000000000000000, -0.0009612900000000, 0.0006957200000000 ] - [ 0.0000000000000000, 0.0029902100000000, 0.0000000000000000 ] - [ 0.0000061300000000, 0.0028550200000000, 0.0000000000000000 ] - [ -0.0000061300000000, 0.0028550200000000, 0.0000000000000000 ] - [ -0.0000673900000000, -0.0041587300000000, 0.0016113200000000 ] - [ 0.0000673900000000, -0.0041587300000000, 0.0016113200000000 ] - [ 0.0000000000000000, -0.0041857100000000, 0.0013825900000000 ] - [ 0.0000000000000000, 0.0006407300000000, -0.0013088100000000 ] - [ 0.0001046100000000, 0.0008384100000000, -0.0009227300000000 ] - [ -0.0001046100000000, 0.0008384100000000, -0.0009227300000000 ] - [ -0.0019576700000000, 0.0027152800000000, 0.0028695500000000 ] - [ 0.0019576700000000, 0.0027152800000000, 0.0028695500000000 ] - [ 0.0000000000000000, 0.0011653000000000, 0.0006710900000000 ] - [ 0.0000000000000000, -0.0044088600000000, -0.0009119100000000 ] - [ -0.0000336900000000, -0.0042514200000000, -0.0011558100000000 ] - [ 0.0000336900000000, -0.0042514200000000, -0.0011558100000000 ] - [ 0.0000000000000000, -0.0012888700000000, -0.0006229500000000 ] - [ -0.0000047500000000, -0.0012469700000000, -0.0007546000000000 ] - [ 0.0000047500000000, -0.0012469700000000, -0.0007546000000000 ] - [ 0.0000000000000000, -0.0036784000000000, 0.0000000000000000 ] - [ 0.0001171700000000, -0.0025497700000000, 0.0000000000000000 ] - [ -0.0001171700000000, -0.0025497700000000, 0.0000000000000000 ] - [ 0.0001371800000000, 0.0038508600000000, -0.0014544700000000 ] - [ -0.0001371800000000, 0.0038508600000000, -0.0014544700000000 ] - [ 0.0000000000000000, 0.0039641200000000, -0.0013876500000000 ] - [ 0.0001371800000000, 0.0038508600000000, 0.0014544700000000 ] - [ -0.0001371800000000, 0.0038508600000000, 0.0014544700000000 ] - [ 0.0000000000000000, 0.0039641200000000, 0.0013876500000000 ] - [ 0.0000000000000000, -0.0012888700000000, 0.0006229500000000 ] - [ -0.0000047500000000, -0.0012469700000000, 0.0007546000000000 ] - [ 0.0000047500000000, -0.0012469700000000, 0.0007546000000000 ] - [ -0.0000032800000000, 0.0025749600000000, 0.0000000000000000 ] - [ 0.0000032800000000, 0.0025749600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0026402700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0044088600000000, 0.0009119100000000 ] - [ -0.0000336900000000, -0.0042514200000000, 0.0011558100000000 ] - [ 0.0000336900000000, -0.0042514200000000, 0.0011558100000000 ] - [ -0.0019576700000000, 0.0027152800000000, -0.0028695500000000 ] - [ 0.0019576700000000, 0.0027152800000000, -0.0028695500000000 ] - [ 0.0000000000000000, 0.0011653000000000, -0.0006710900000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0276034500000000, 0.0000000000000000 ] - [ 0.0000083100000000, 0.0004611000000000, 0.0000000000000000 ] - [ -0.0000083100000000, 0.0004611000000000, 0.0000000000000000 ] - [ -0.0000248200000000, 0.0004612600000000, 0.0000000000000000 ] - [ 0.0000248200000000, 0.0004612600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004724300000000, 0.0000000000000000 ] - [ 0.0000418200000000, -0.0009778700000000, 0.0000000000000000 ] - [ -0.0000418200000000, -0.0009778700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0007329800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005840600000000, 0.0000000000000000 ] - [ -0.0000278300000000, 0.0005802600000000, 0.0000000000000000 ] - [ 0.0000278300000000, 0.0005802600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0023841900000000, 0.0011526700000000 ] - [ 0.0000166700000000, 0.0023464300000000, 0.0007028200000000 ] - [ -0.0000166700000000, 0.0023464300000000, 0.0007028200000000 ] - [ -0.0004599200000000, -0.0027439200000000, -0.0007634500000000 ] - [ 0.0004599200000000, -0.0027439200000000, -0.0007634500000000 ] - [ 0.0000000000000000, -0.0022048900000000, 0.0003285100000000 ] - [ -0.0004599200000000, -0.0027439200000000, 0.0007634500000000 ] - [ 0.0004599200000000, -0.0027439200000000, 0.0007634500000000 ] - [ 0.0000000000000000, -0.0022048900000000, -0.0003285100000000 ] - [ 0.0000000000000000, 0.0023841900000000, -0.0011526700000000 ] - [ 0.0000166700000000, 0.0023464300000000, -0.0007028200000000 ] - [ -0.0000166700000000, 0.0023464300000000, -0.0007028200000000 ] - [ 0.0000418100000000, 0.0019844500000000, 0.0003959100000000 ] - [ -0.0000418100000000, 0.0019844500000000, 0.0003959100000000 ] - [ 0.0000000000000000, 0.0020697000000000, 0.0004886300000000 ] - [ 0.0000000000000000, -0.0042565300000000, 0.0027001400000000 ] - [ -0.0005469600000000, -0.0027416200000000, 0.0010245300000000 ] - [ 0.0005469600000000, -0.0027416200000000, 0.0010245300000000 ] - [ 0.0000000000000000, -0.0042565300000000, -0.0027001400000000 ] - [ -0.0005469600000000, -0.0027416200000000, -0.0010245300000000 ] - [ 0.0005469600000000, -0.0027416200000000, -0.0010245300000000 ] - [ 0.0000418100000000, 0.0019844500000000, -0.0003959100000000 ] - [ -0.0000418100000000, 0.0019844500000000, -0.0003959100000000 ] - [ 0.0000000000000000, 0.0020697000000000, -0.0004886300000000 ] - [ -0.0002351900000000, -0.0017209300000000, 0.0011596100000000 ] - [ 0.0002351900000000, -0.0017209300000000, 0.0011596100000000 ] - [ 0.0000000000000000, -0.0020698000000000, 0.0010226300000000 ] - [ 0.0000110500000000, -0.0028252200000000, 0.0000000000000000 ] - [ -0.0000110500000000, -0.0028252200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0028737800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0022033200000000, -0.0011387500000000 ] - [ 0.0000123900000000, 0.0021753400000000, -0.0010293600000000 ] - [ -0.0000123900000000, 0.0021753400000000, -0.0010293600000000 ] - [ 0.0000000000000000, 0.0022033200000000, 0.0011387500000000 ] - [ 0.0000123900000000, 0.0021753400000000, 0.0010293600000000 ] - [ -0.0000123900000000, 0.0021753400000000, 0.0010293600000000 ] - [ 0.0000000000000000, 0.0019070400000000, 0.0000000000000000 ] - [ 0.0001607700000000, 0.0024665100000000, 0.0000000000000000 ] - [ -0.0001607700000000, 0.0024665100000000, 0.0000000000000000 ] - [ -0.0002351900000000, -0.0017209300000000, -0.0011596100000000 ] - [ 0.0002351900000000, -0.0017209300000000, -0.0011596100000000 ] - [ 0.0000000000000000, -0.0020698000000000, -0.0010226300000000 ] - [ 0.0000000000000000, -0.0024432800000000, 0.0008504600000000 ] - [ -0.0000289100000000, -0.0023596400000000, 0.0009174800000000 ] - [ 0.0000289100000000, -0.0023596400000000, 0.0009174800000000 ] - [ 0.0000000000000000, -0.0029974100000000, 0.0000000000000000 ] - [ 0.0000022600000000, -0.0029392700000000, 0.0000000000000000 ] - [ -0.0000022600000000, -0.0029392700000000, 0.0000000000000000 ] - [ 0.0000298500000000, 0.0023025000000000, -0.0006709000000000 ] - [ -0.0000298500000000, 0.0023025000000000, -0.0006709000000000 ] - [ 0.0000000000000000, 0.0022982400000000, -0.0009412500000000 ] - [ 0.0000298500000000, 0.0023025000000000, 0.0006709000000000 ] - [ -0.0000298500000000, 0.0023025000000000, 0.0006709000000000 ] - [ 0.0000000000000000, 0.0022982400000000, 0.0009412500000000 ] - [ 0.0015216900000000, 0.0010430400000000, 0.0000000000000000 ] - [ -0.0015216900000000, 0.0010430400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0030563100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0024432800000000, -0.0008504600000000 ] - [ -0.0000289100000000, -0.0023596400000000, -0.0009174800000000 ] - [ 0.0000289100000000, -0.0023596400000000, -0.0009174800000000 ] - [ 0.0000000000000000, 0.0015268200000000, 0.0001507100000000 ] - [ -0.0001042800000000, 0.0013283300000000, 0.0005460900000000 ] - [ 0.0001042800000000, 0.0013283300000000, 0.0005460900000000 ] - [ 0.0000656100000000, -0.0042349300000000, -0.0009951800000000 ] - [ -0.0000656100000000, -0.0042349300000000, -0.0009951800000000 ] - [ 0.0000000000000000, -0.0042071500000000, -0.0012252600000000 ] - [ 0.0000735000000000, -0.0013038500000000, -0.0007228400000000 ] - [ -0.0000735000000000, -0.0013038500000000, -0.0007228400000000 ] - [ 0.0000000000000000, -0.0011936100000000, -0.0007706500000000 ] - [ -0.0041704100000000, -0.0072468000000000, 0.0000000000000000 ] - [ 0.0041704100000000, -0.0072468000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0025642100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0016732300000000, 0.0036460300000000 ] - [ -0.0001104500000000, 0.0039871600000000, -0.0014145000000000 ] - [ 0.0001104500000000, 0.0039871600000000, -0.0014145000000000 ] - [ 0.0000000000000000, 0.0016732300000000, -0.0036460300000000 ] - [ -0.0001104500000000, 0.0039871600000000, 0.0014145000000000 ] - [ 0.0001104500000000, 0.0039871600000000, 0.0014145000000000 ] - [ 0.0000735000000000, -0.0013038500000000, 0.0007228400000000 ] - [ -0.0000735000000000, -0.0013038500000000, 0.0007228400000000 ] - [ 0.0000000000000000, -0.0011936100000000, 0.0007706500000000 ] - [ 0.0000000000000000, 0.0024793000000000, 0.0000000000000000 ] - [ -0.0000065100000000, 0.0026205300000000, 0.0000000000000000 ] - [ 0.0000065100000000, 0.0026205300000000, 0.0000000000000000 ] - [ 0.0000656100000000, -0.0042349300000000, 0.0009951800000000 ] - [ -0.0000656100000000, -0.0042349300000000, 0.0009951800000000 ] - [ 0.0000000000000000, -0.0042071500000000, 0.0012252600000000 ] - [ 0.0000000000000000, 0.0015268200000000, -0.0001507100000000 ] - [ -0.0001042800000000, 0.0013283300000000, -0.0005460900000000 ] - [ 0.0001042800000000, 0.0013283300000000, -0.0005460900000000 ] - [ 0.0019231800000000, -0.0005317400000000, -0.0013497600000000 ] - [ -0.0019231800000000, -0.0005317400000000, -0.0013497600000000 ] - [ 0.0000000000000000, 0.0010029600000000, 0.0007945600000000 ] - [ 0.0000000000000000, -0.0039839800000000, -0.0016963400000000 ] - [ 0.0000343600000000, -0.0041375300000000, -0.0014547600000000 ] - [ -0.0000343600000000, -0.0041375300000000, -0.0014547600000000 ] - [ 0.0000000000000000, -0.0008644800000000, -0.0008428600000000 ] - [ 0.0000037900000000, -0.0009063400000000, -0.0007104400000000 ] - [ -0.0000037900000000, -0.0009063400000000, -0.0007104400000000 ] - [ 0.0000000000000000, -0.0017824800000000, 0.0000000000000000 ] - [ -0.0001174200000000, -0.0029103600000000, 0.0000000000000000 ] - [ 0.0001174200000000, -0.0029103600000000, 0.0000000000000000 ] - [ -0.0001360300000000, 0.0045524800000000, -0.0011579400000000 ] - [ 0.0001360300000000, 0.0045524800000000, -0.0011579400000000 ] - [ 0.0000000000000000, 0.0044400000000000, -0.0012231300000000 ] - [ -0.0001360300000000, 0.0045524800000000, 0.0011579400000000 ] - [ 0.0001360300000000, 0.0045524800000000, 0.0011579400000000 ] - [ 0.0000000000000000, 0.0044400000000000, 0.0012231300000000 ] - [ 0.0000000000000000, -0.0008644800000000, 0.0008428600000000 ] - [ 0.0000037900000000, -0.0009063400000000, 0.0007104400000000 ] - [ -0.0000037900000000, -0.0009063400000000, 0.0007104400000000 ] - [ 0.0000018700000000, 0.0029041000000000, 0.0000000000000000 ] - [ -0.0000018700000000, 0.0029041000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0028395900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0039839800000000, 0.0016963400000000 ] - [ 0.0000343600000000, -0.0041375300000000, 0.0014547600000000 ] - [ -0.0000343600000000, -0.0041375300000000, 0.0014547600000000 ] - [ 0.0019231800000000, -0.0005317400000000, 0.0013497600000000 ] - [ -0.0019231800000000, -0.0005317400000000, 0.0013497600000000 ] - [ 0.0000000000000000, 0.0010029600000000, -0.0007945600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0004790300000000, -0.0336757600000000 ] - [ -0.0000060200000000, -0.0005221800000000, -0.0010011900000000 ] - [ 0.0000060200000000, -0.0005221800000000, -0.0010011900000000 ] - [ 0.0000001900000000, 0.0005213900000000, 0.0001105100000000 ] - [ -0.0000001900000000, 0.0005213900000000, 0.0001105100000000 ] - [ 0.0000000000000000, 0.0005212000000000, 0.0001060700000000 ] - [ 0.0000007000000000, -0.0005211500000000, -0.0001644900000000 ] - [ -0.0000007000000000, -0.0005211500000000, -0.0001644900000000 ] - [ 0.0000000000000000, -0.0005214400000000, -0.0001418200000000 ] - [ 0.0000000000000000, 0.0005219200000000, 0.0002789900000000 ] - [ 0.0000000400000000, 0.0005220300000000, 0.0001817500000000 ] - [ -0.0000000400000000, 0.0005220300000000, 0.0001817500000000 ] - [ 0.0000000000000000, 0.0016746200000000, 0.0022542600000000 ] - [ 0.0001959800000000, 0.0020162800000000, 0.0010139300000000 ] - [ -0.0001959800000000, 0.0020162800000000, 0.0010139300000000 ] - [ 0.0008372300000000, -0.0010962200000000, 0.0000723000000000 ] - [ -0.0008372300000000, -0.0010962200000000, 0.0000723000000000 ] - [ 0.0000000000000000, -0.0019420000000000, 0.0003034200000000 ] - [ -0.0008420000000000, -0.0033488300000000, -0.0011073400000000 ] - [ 0.0008420000000000, -0.0033488300000000, -0.0011073400000000 ] - [ 0.0000000000000000, -0.0024976100000000, -0.0008737500000000 ] - [ 0.0000000000000000, 0.0027522000000000, 0.0010698000000000 ] - [ -0.0001944100000000, 0.0024187000000000, -0.0001610700000000 ] - [ 0.0001944100000000, 0.0024187000000000, -0.0001610700000000 ] - [ -0.0000966200000000, 0.0023473500000000, 0.0009260900000000 ] - [ 0.0000966200000000, 0.0023473500000000, 0.0009260900000000 ] - [ 0.0000000000000000, 0.0022852300000000, 0.0008783000000000 ] - [ 0.0000000000000000, -0.0046471100000000, 0.0010225600000000 ] - [ -0.0006708900000000, -0.0029599500000000, 0.0004869300000000 ] - [ 0.0006708900000000, -0.0029599500000000, 0.0004869300000000 ] - [ 0.0000000000000000, 0.0002296300000000, -0.0001468200000000 ] - [ 0.0006729400000000, -0.0014750800000000, -0.0006836900000000 ] - [ -0.0006729400000000, -0.0014750800000000, -0.0006836900000000 ] - [ 0.0000957000000000, 0.0020901900000000, -0.0002501600000000 ] - [ -0.0000957000000000, 0.0020901900000000, -0.0002501600000000 ] - [ 0.0000000000000000, 0.0021505300000000, -0.0002968300000000 ] - [ 0.0003296100000000, -0.0023749900000000, 0.0014429500000000 ] - [ -0.0003296100000000, -0.0023749900000000, 0.0014429500000000 ] - [ 0.0000000000000000, -0.0023162300000000, 0.0010577500000000 ] - [ 0.0000002700000000, -0.0029050200000000, 0.0002784500000000 ] - [ -0.0000002700000000, -0.0029050200000000, 0.0002784500000000 ] - [ 0.0000000000000000, -0.0029015800000000, 0.0000765000000000 ] - [ 0.0000000000000000, 0.0022281900000000, -0.0010096000000000 ] - [ -0.0000320300000000, 0.0022591100000000, -0.0010376900000000 ] - [ 0.0000320300000000, 0.0022591100000000, -0.0010376900000000 ] - [ 0.0000000000000000, 0.0022127100000000, 0.0009408000000000 ] - [ 0.0000327300000000, 0.0021807600000000, 0.0009126400000000 ] - [ -0.0000327300000000, 0.0021807600000000, 0.0009126400000000 ] - [ 0.0000000000000000, 0.0028965700000000, -0.0001647000000000 ] - [ -0.0000017900000000, 0.0029048000000000, 0.0000490900000000 ] - [ 0.0000017900000000, 0.0029048000000000, 0.0000490900000000 ] - [ -0.0003337500000000, -0.0020599900000000, -0.0004956000000000 ] - [ 0.0003337500000000, -0.0020599900000000, -0.0004956000000000 ] - [ 0.0000000000000000, -0.0021216400000000, -0.0008933300000000 ] - [ 0.0000000000000000, -0.0022259400000000, 0.0010037100000000 ] - [ -0.0000208900000000, -0.0022672000000000, 0.0010081800000000 ] - [ 0.0000208900000000, -0.0022672000000000, 0.0010081800000000 ] - [ 0.0000000000000000, -0.0029009300000000, 0.0000699800000000 ] - [ 0.0000000900000000, -0.0029032500000000, 0.0000492000000000 ] - [ -0.0000000900000000, -0.0029032500000000, 0.0000492000000000 ] - [ 0.0000573200000000, 0.0022030800000000, -0.0007464000000000 ] - [ -0.0000573200000000, 0.0022030800000000, -0.0007464000000000 ] - [ 0.0000000000000000, 0.0022520100000000, -0.0009875200000000 ] - [ -0.0000596800000000, 0.0022388000000000, 0.0012023700000000 ] - [ 0.0000596800000000, 0.0022388000000000, 0.0012023700000000 ] - [ 0.0000000000000000, 0.0021872100000000, 0.0009615800000000 ] - [ 0.0000027600000000, 0.0028979600000000, -0.0008117800000000 ] - [ -0.0000027600000000, 0.0028979600000000, -0.0008117800000000 ] - [ 0.0000000000000000, 0.0028925600000000, -0.0001115500000000 ] - [ 0.0000000000000000, -0.0022141200000000, -0.0009484600000000 ] - [ 0.0000214800000000, -0.0021713200000000, -0.0009433400000000 ] - [ -0.0000214800000000, -0.0021713200000000, -0.0009433400000000 ] - [ 0.0000000000000000, 0.0012594100000000, 0.0009871700000000 ] - [ -0.0000709100000000, 0.0011151300000000, 0.0009602500000000 ] - [ 0.0000709100000000, 0.0011151300000000, 0.0009602500000000 ] - [ -0.0001532700000000, -0.0043881300000000, -0.0013905200000000 ] - [ 0.0001532700000000, -0.0043881300000000, -0.0013905200000000 ] - [ 0.0000000000000000, -0.0042915900000000, -0.0013558000000000 ] - [ 0.0001304400000000, -0.0009566900000000, -0.0013162700000000 ] - [ -0.0001304400000000, -0.0009566900000000, -0.0013162700000000 ] - [ 0.0000000000000000, -0.0010606000000000, -0.0008655600000000 ] - [ 0.0000069800000000, -0.0027277900000000, 0.0006177000000000 ] - [ -0.0000069800000000, -0.0027277900000000, 0.0006177000000000 ] - [ 0.0000000000000000, -0.0027355900000000, 0.0003320000000000 ] - [ 0.0000000000000000, -0.0008511100000000, 0.0082393500000000 ] - [ -0.0001582500000000, 0.0043121400000000, -0.0013901100000000 ] - [ 0.0001582500000000, 0.0043121400000000, -0.0013901100000000 ] - [ 0.0000000000000000, 0.0090821200000000, 0.0105552900000000 ] - [ 0.0001584700000000, 0.0040964600000000, 0.0012220300000000 ] - [ -0.0001584700000000, 0.0040964600000000, 0.0012220300000000 ] - [ -0.0001295200000000, -0.0011941500000000, 0.0001584000000000 ] - [ 0.0001295200000000, -0.0011941500000000, 0.0001584000000000 ] - [ 0.0000000000000000, -0.0010916800000000, 0.0006047900000000 ] - [ 0.0000000000000000, 0.0027362500000000, -0.0008951600000000 ] - [ 0.0000004800000000, 0.0027363700000000, -0.0004194900000000 ] - [ -0.0000004800000000, 0.0027363700000000, -0.0004194900000000 ] - [ 0.0001525200000000, -0.0040182500000000, 0.0012217200000000 ] - [ -0.0001525200000000, -0.0040182500000000, 0.0012217200000000 ] - [ 0.0000000000000000, -0.0041132500000000, 0.0012551100000000 ] - [ 0.0000000000000000, 0.0008939500000000, -0.0004861700000000 ] - [ 0.0000702400000000, 0.0010388100000000, -0.0005126300000000 ] - [ -0.0000702400000000, 0.0010388100000000, -0.0005126300000000 ] - [ -0.0025767200000000, 0.0029301700000000, 0.0038931600000000 ] - [ 0.0025767200000000, 0.0029301700000000, 0.0038931600000000 ] - [ 0.0000000000000000, 0.0010144600000000, 0.0008347100000000 ] - [ 0.0000000000000000, -0.0039922400000000, -0.0015214500000000 ] - [ 0.0000539200000000, -0.0041581600000000, -0.0013876200000000 ] - [ -0.0000539200000000, -0.0041581600000000, -0.0013876200000000 ] - [ 0.0000000000000000, -0.0010886500000000, -0.0008733500000000 ] - [ -0.0000239900000000, -0.0010958400000000, -0.0008615300000000 ] - [ 0.0000239900000000, -0.0010958400000000, -0.0008615300000000 ] - [ 0.0000000000000000, -0.0027333400000000, 0.0009554200000000 ] - [ -0.0000018300000000, -0.0027356300000000, 0.0005959600000000 ] - [ 0.0000018300000000, -0.0027356300000000, 0.0005959600000000 ] - [ 0.0001015100000000, 0.0038917400000000, -0.0014079800000000 ] - [ -0.0001015100000000, 0.0038917400000000, -0.0014079800000000 ] - [ 0.0000000000000000, 0.0039939300000000, -0.0013865800000000 ] - [ -0.0000999000000000, 0.0045139000000000, 0.0012053500000000 ] - [ 0.0000999000000000, 0.0045139000000000, 0.0012053500000000 ] - [ 0.0000000000000000, 0.0044136600000000, 0.0012261200000000 ] - [ 0.0000000000000000, -0.0010638000000000, 0.0005955500000000 ] - [ 0.0000231300000000, -0.0010566000000000, 0.0006074900000000 ] - [ -0.0000231300000000, -0.0010566000000000, 0.0006074900000000 ] - [ -0.0000001800000000, 0.0027353300000000, -0.0002892200000000 ] - [ 0.0000001800000000, 0.0027353300000000, -0.0002892200000000 ] - [ 0.0000000000000000, 0.0027356800000000, -0.0002739600000000 ] - [ 0.0000000000000000, -0.0044153300000000, 0.0010892700000000 ] - [ -0.0000514700000000, -0.0042467800000000, 0.0012252500000000 ] - [ 0.0000514700000000, -0.0042467800000000, 0.0012252500000000 ] - [ 0.0025094300000000, -0.0007206600000000, 0.0023591500000000 ] - [ -0.0025094300000000, -0.0007206600000000, 0.0023591500000000 ] - [ 0.0000000000000000, 0.0011374900000000, -0.0006357300000000 ]- atom: 13 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002143500000000, -0.0005205700000000, 0.0000020500000000 ] - [ 0.0001376500000000, -0.0005038100000000, -0.0001920400000000 ] - [ 0.0001369700000000, -0.0005360900000000, 0.0001967800000000 ] - [ -0.0001570100000000, 0.0009789300000000, -0.0008361500000000 ] - [ -0.0001579400000000, 0.0000608300000000, 0.0008355600000000 ] - [ 0.0003549500000000, 0.0005207700000000, -0.0000016600000000 ] - [ -0.0000497700000000, -0.0004769700000000, 0.0000979000000000 ] - [ -0.0000499000000000, -0.0005629400000000, -0.0000943700000000 ] - [ 0.0000742400000000, -0.0005201700000000, 0.0000016200000000 ] - [ -0.0011269600000000, 0.0005146700000000, -0.0000042700000000 ] - [ 0.0005813400000000, 0.0010700500000000, 0.0006673300000000 ] - [ 0.0005783500000000, -0.0000274600000000, -0.0006720200000000 ] - [ -0.0685756500000000, 0.0019887000000000, 0.0005857200000000 ] - [ 0.0116996300000000, 0.0018888600000000, 0.0007795300000000 ] - [ 0.0115522500000000, 0.0025536700000000, 0.0003938900000000 ] - [ -0.0000145000000000, -0.0021117000000000, 0.0008491600000000 ] - [ -0.0000106000000000, -0.0023232400000000, 0.0003197800000000 ] - [ 0.0003268500000000, -0.0022159200000000, 0.0005855600000000 ] - [ -0.0008478200000000, -0.0028025100000000, 0.0060137300000000 ] - [ -0.0008443400000000, -0.0016308300000000, -0.0072208800000000 ] - [ 0.0018945000000000, -0.0022168000000000, -0.0005888600000000 ] - [ -0.0009044400000000, 0.0022147300000000, -0.0005947100000000 ] - [ 0.0005655400000000, 0.0021502000000000, 0.0003581000000000 ] - [ 0.0005659300000000, 0.0022831300000000, -0.0015293200000000 ] - [ -0.0006479900000000, 0.0021721000000000, 0.0004955400000000 ] - [ -0.0006394000000000, 0.0022629600000000, 0.0006789000000000 ] - [ 0.0018293900000000, 0.0022166200000000, 0.0005875300000000 ] - [ -0.0005091000000000, -0.0022172500000000, 0.0005857100000000 ] - [ 0.0002629600000000, -0.0021300300000000, 0.0003944000000000 ] - [ 0.0002629900000000, -0.0023030700000000, 0.0007772500000000 ] - [ -0.0019212600000000, -0.0022158100000000, -0.0005891500000000 ] - [ 0.0009559000000000, -0.0016525500000000, -0.0010219900000000 ] - [ 0.0009542000000000, -0.0027787800000000, -0.0001503200000000 ] - [ -0.0001647700000000, 0.0021676500000000, -0.0007029200000000 ] - [ -0.0001639100000000, 0.0022640800000000, -0.0004696200000000 ] - [ 0.0003202800000000, 0.0022160800000000, -0.0005869500000000 ] - [ -0.0000178600000000, -0.0021501500000000, 0.0007134900000000 ] - [ -0.0000165800000000, -0.0022957200000000, 0.0012442100000000 ] - [ -0.0000003100000000, -0.0022232100000000, 0.0009793100000000 ] - [ -0.0003429800000000, -0.0019316200000000, -0.0020181400000000 ] - [ -0.0003214000000000, -0.0038804600000000, 0.0020671100000000 ] - [ 0.0002912900000000, -0.0029034500000000, -0.0000001100000000 ] - [ -0.0000614600000000, 0.0022217200000000, -0.0009779900000000 ] - [ 0.0000131900000000, 0.0022827500000000, -0.0010231100000000 ] - [ 0.0000138500000000, 0.0021643800000000, -0.0009329300000000 ] - [ -0.0040042800000000, 0.0022054800000000, 0.0009661000000000 ] - [ 0.0016505300000000, 0.0020972800000000, 0.0010358500000000 ] - [ 0.0016770800000000, 0.0023549700000000, 0.0009275500000000 ] - [ 0.0000379800000000, 0.0028961100000000, 0.0000001800000000 ] - [ -0.0001239700000000, 0.0031282500000000, -0.0001734100000000 ] - [ -0.0001229400000000, 0.0026784400000000, 0.0001734300000000 ] - [ -0.0000464000000000, -0.0031278800000000, 0.0025816800000000 ] - [ -0.0000139600000000, -0.0012894200000000, -0.0045978400000000 ] - [ 0.0003653600000000, -0.0022230500000000, -0.0009790500000000 ] - [ -0.0000027000000000, -0.0022213200000000, 0.0009779000000000 ] - [ -0.0000037900000000, -0.0022468500000000, 0.0010127600000000 ] - [ -0.0000040100000000, -0.0021975700000000, 0.0009444100000000 ] - [ -0.0000485700000000, -0.0029011000000000, -0.0000002400000000 ] - [ 0.0000270800000000, -0.0030398000000000, 0.0002241400000000 ] - [ 0.0000265300000000, -0.0027696000000000, -0.0002251000000000 ] - [ -0.0000017900000000, 0.0020071700000000, -0.0010018900000000 ] - [ -0.0000009500000000, 0.0024404600000000, -0.0009546300000000 ] - [ 0.0000284700000000, 0.0022236000000000, -0.0009777800000000 ] - [ -0.0001045200000000, 0.0002582600000000, 0.0025091800000000 ] - [ -0.0000967500000000, 0.0041892300000000, -0.0005531100000000 ] - [ 0.0002660600000000, 0.0022225400000000, 0.0009792600000000 ] - [ -0.0000117700000000, 0.0024970200000000, 0.0004795000000000 ] - [ -0.0000117600000000, 0.0033044100000000, -0.0004807600000000 ] - [ 0.0000415600000000, 0.0029016800000000, 0.0000005300000000 ] - [ 0.0000461100000000, -0.0022238800000000, -0.0009794600000000 ] - [ 0.0000210000000000, -0.0023879100000000, -0.0010452900000000 ] - [ 0.0000202000000000, -0.0020551200000000, -0.0009059200000000 ] - [ 0.0013325000000000, 0.0010782100000000, 0.0007409900000000 ] - [ -0.0006423900000000, 0.0011548500000000, 0.0018584400000000 ] - [ -0.0006451100000000, 0.0009999300000000, -0.0003972500000000 ] - [ 0.0001403200000000, -0.0041463500000000, -0.0014169700000000 ] - [ 0.0001412300000000, -0.0042574600000000, -0.0011937400000000 ] - [ -0.0003397400000000, -0.0042018100000000, -0.0013054300000000 ] - [ 0.0147079100000000, -0.0143079100000000, -0.0034405400000000 ] - [ 0.0151995600000000, 0.0127003400000000, 0.0020763000000000 ] - [ -0.0033965300000000, -0.0010763300000000, -0.0007349200000000 ] - [ 0.0000605900000000, -0.0026019500000000, -0.0009859600000000 ] - [ 0.0000590200000000, -0.0028645800000000, 0.0009962600000000 ] - [ -0.0003122600000000, -0.0027342000000000, 0.0000023300000000 ] - [ 0.0048041100000000, 0.0041967200000000, -0.0011983200000000 ] - [ -0.0003020400000000, 0.0043307700000000, -0.0005977200000000 ] - [ -0.0003128600000000, 0.0040727600000000, -0.0020183300000000 ] - [ 0.0003650300000000, 0.0042018300000000, 0.0013081600000000 ] - [ -0.0002064800000000, 0.0042918000000000, 0.0011306200000000 ] - [ -0.0002086500000000, 0.0041078400000000, 0.0014844900000000 ] - [ 0.0001467900000000, -0.0009114600000000, 0.0013978900000000 ] - [ 0.0001499200000000, -0.0012413500000000, 0.0000693900000000 ] - [ -0.0003076000000000, -0.0010784400000000, 0.0007320800000000 ] - [ 0.0011544900000000, 0.0027839500000000, -0.0001001900000000 ] - [ 0.0001289200000000, 0.0029519900000000, -0.0009934900000000 ] - [ 0.0001204600000000, 0.0025148100000000, 0.0009895500000000 ] - [ 0.0084867600000000, 0.0044991000000000, 0.0005982300000000 ] - [ 0.0088628900000000, -0.0132814200000000, 0.0019372000000000 ] - [ -0.0036045700000000, -0.0042014900000000, 0.0013062800000000 ] - [ 0.0001011500000000, 0.0010774500000000, -0.0007312100000000 ] - [ -0.0000800900000000, 0.0011021000000000, -0.0006321200000000 ] - [ -0.0000797600000000, 0.0010549600000000, -0.0008321400000000 ] - [ 0.0002609200000000, 0.0019512400000000, -0.0002384300000000 ] - [ 0.0002629700000000, 0.0002039400000000, 0.0017080600000000 ] - [ -0.0003657800000000, 0.0010769000000000, 0.0007326400000000 ] - [ 0.0002006000000000, -0.0042020800000000, -0.0013059100000000 ] - [ -0.0000815400000000, -0.0043169400000000, -0.0013582300000000 ] - [ -0.0000793100000000, -0.0040842500000000, -0.0012525700000000 ] - [ 0.0006081700000000, -0.0010706100000000, -0.0007325900000000 ] - [ -0.0005373400000000, -0.0001916500000000, -0.0009694300000000 ] - [ -0.0005380500000000, -0.0019706800000000, -0.0004960600000000 ] - [ 0.0004381600000000, -0.0027350300000000, 0.0000031400000000 ] - [ -0.0002091300000000, -0.0030213700000000, 0.0002811800000000 ] - [ -0.0002081100000000, -0.0024455300000000, -0.0002764400000000 ] - [ 0.0002869000000000, 0.0042324300000000, -0.0012600900000000 ] - [ 0.0002858900000000, 0.0041705700000000, -0.0013532300000000 ] - [ -0.0005873600000000, 0.0042018300000000, -0.0013076300000000 ] - [ 0.0001019600000000, 0.0042149600000000, 0.0013354300000000 ] - [ 0.0001017000000000, 0.0041881900000000, 0.0012793700000000 ] - [ -0.0002022500000000, 0.0042017300000000, 0.0013075000000000 ] - [ 0.0001548100000000, -0.0010778300000000, 0.0007311400000000 ] - [ -0.0000825900000000, -0.0010014500000000, 0.0006507300000000 ] - [ -0.0000822000000000, -0.0011523500000000, 0.0008138200000000 ] - [ 0.0001756000000000, 0.0027215700000000, 0.0001047800000000 ] - [ 0.0001759400000000, 0.0027469700000000, -0.0001102000000000 ] - [ -0.0003632800000000, 0.0027345000000000, -0.0000017100000000 ] - [ 0.0012295600000000, -0.0042108000000000, 0.0013074200000000 ] - [ -0.0008152500000000, -0.0049812100000000, 0.0015527700000000 ] - [ -0.0008169100000000, -0.0034177400000000, 0.0010581900000000 ] - [ 0.0000220500000000, 0.0013055600000000, -0.0006839600000000 ] - [ 0.0000216800000000, 0.0008535700000000, -0.0007788400000000 ] - [ -0.0001031500000000, 0.0010778100000000, -0.0007314000000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0006822600000000, -0.0005359300000000 ] - [ 0.0000789200000000, -0.0006466200000000, -0.0001990400000000 ] - [ -0.0000789200000000, -0.0006466200000000, -0.0001990400000000 ] - [ 0.0003653900000000, 0.0010492100000000, -0.0011192800000000 ] - [ -0.0003653900000000, 0.0010492100000000, -0.0011192800000000 ] - [ 0.0000000000000000, 0.0005158200000000, -0.0002786600000000 ] - [ -0.0000013100000000, -0.0002852000000000, 0.0001296800000000 ] - [ 0.0000013100000000, -0.0002852000000000, 0.0001296800000000 ] - [ 0.0000000000000000, -0.0003702100000000, 0.0000690900000000 ] - [ 0.0000000000000000, 0.0025920500000000, 0.0024448500000000 ] - [ 0.0003920900000000, 0.0010552800000000, 0.0007378600000000 ] - [ -0.0003920900000000, 0.0010552800000000, 0.0007378600000000 ] - [ 0.0000000000000000, -0.0594619600000000, 0.0042935900000000 ] - [ 0.0003354400000000, -0.0071136100000000, -0.0010187100000000 ] - [ -0.0003354400000000, -0.0071136100000000, -0.0010187100000000 ] - [ 0.0001050500000000, -0.0022814900000000, 0.0009053100000000 ] - [ -0.0001050500000000, -0.0022814900000000, 0.0009053100000000 ] - [ 0.0000000000000000, -0.0022246900000000, 0.0008001300000000 ] - [ -0.0005858700000000, -0.0055433900000000, 0.0053282600000000 ] - [ 0.0005858700000000, -0.0055433900000000, 0.0053282600000000 ] - [ 0.0000000000000000, -0.0038262700000000, -0.0003655100000000 ] - [ 0.0000000000000000, 0.0022188000000000, -0.0009257600000000 ] - [ 0.0000669700000000, 0.0021380000000000, -0.0002368000000000 ] - [ -0.0000669700000000, 0.0021380000000000, -0.0002368000000000 ] - [ 0.0000458400000000, 0.0041210500000000, 0.0011456200000000 ] - [ -0.0000458400000000, 0.0041210500000000, 0.0011456200000000 ] - [ 0.0000000000000000, 0.0033997200000000, 0.0009496600000000 ] - [ 0.0000000000000000, -0.0021883300000000, 0.0002539000000000 ] - [ 0.0000849900000000, -0.0021831000000000, 0.0003760000000000 ] - [ -0.0000849900000000, -0.0021831000000000, 0.0003760000000000 ] - [ 0.0000000000000000, -0.0010009400000000, -0.0011516900000000 ] - [ 0.0005586800000000, -0.0014774900000000, -0.0008929400000000 ] - [ -0.0005586800000000, -0.0014774900000000, -0.0008929400000000 ] - [ 0.0000503200000000, 0.0023871500000000, -0.0007135300000000 ] - [ -0.0000503200000000, 0.0023871500000000, -0.0007135300000000 ] - [ 0.0000000000000000, 0.0023335700000000, -0.0006681900000000 ] - [ -0.0000478500000000, -0.0022165400000000, 0.0010280500000000 ] - [ 0.0000478500000000, -0.0022165400000000, 0.0010280500000000 ] - [ 0.0000000000000000, -0.0022514300000000, 0.0009724700000000 ] - [ 0.0007666000000000, -0.0044361100000000, 0.0016212600000000 ] - [ -0.0007666000000000, -0.0044361100000000, 0.0016212600000000 ] - [ 0.0000000000000000, -0.0030463100000000, 0.0002201800000000 ] - [ 0.0000000000000000, 0.0022095100000000, -0.0009361300000000 ] - [ -0.0000415900000000, 0.0022220900000000, -0.0009526000000000 ] - [ 0.0000415900000000, 0.0022220900000000, -0.0009526000000000 ] - [ 0.0000000000000000, 0.0045821900000000, 0.0009662800000000 ] - [ -0.0014341400000000, 0.0034883300000000, 0.0012379400000000 ] - [ 0.0014341400000000, 0.0034883300000000, 0.0012379400000000 ] - [ 0.0000000000000000, 0.0025685400000000, 0.0002698100000000 ] - [ 0.0001042200000000, 0.0027218600000000, 0.0001849900000000 ] - [ -0.0001042200000000, 0.0027218600000000, 0.0001849900000000 ] - [ -0.0006146700000000, -0.0012580500000000, -0.0040001900000000 ] - [ 0.0006146700000000, -0.0012580500000000, -0.0040001900000000 ] - [ 0.0000000000000000, -0.0021954700000000, -0.0011687300000000 ] - [ 0.0000000000000000, -0.0021835800000000, 0.0009454600000000 ] - [ 0.0000059800000000, -0.0021869000000000, 0.0009769000000000 ] - [ -0.0000059800000000, -0.0021869000000000, 0.0009769000000000 ] - [ 0.0000000000000000, -0.0026137300000000, -0.0004082300000000 ] - [ 0.0000131800000000, -0.0027515900000000, -0.0001779000000000 ] - [ -0.0000131800000000, -0.0027515900000000, -0.0001779000000000 ] - [ -0.0000386200000000, 0.0021099400000000, -0.0010307100000000 ] - [ 0.0000386200000000, 0.0021099400000000, -0.0010307100000000 ] - [ 0.0000000000000000, 0.0021841200000000, -0.0009839000000000 ] - [ -0.0002054800000000, 0.0037172900000000, 0.0000871100000000 ] - [ 0.0002054800000000, 0.0037172900000000, 0.0000871100000000 ] - [ 0.0000000000000000, 0.0021158500000000, 0.0008814000000000 ] - [ -0.0000245800000000, 0.0031019700000000, -0.0004017600000000 ] - [ 0.0000245800000000, 0.0031019700000000, -0.0004017600000000 ] - [ 0.0000000000000000, 0.0028646800000000, -0.0000303600000000 ] - [ 0.0000000000000000, -0.0020715900000000, -0.0007912400000000 ] - [ 0.0000192400000000, -0.0020182200000000, -0.0009149300000000 ] - [ -0.0000192400000000, -0.0020182200000000, -0.0009149300000000 ] - [ 0.0000000000000000, 0.0018938600000000, -0.0000695500000000 ] - [ 0.0004922600000000, 0.0012711500000000, -0.0002338700000000 ] - [ -0.0004922600000000, 0.0012711500000000, -0.0002338700000000 ] - [ -0.0000927100000000, -0.0040464300000000, -0.0013543800000000 ] - [ 0.0000927100000000, -0.0040464300000000, -0.0013543800000000 ] - [ 0.0000000000000000, -0.0041165900000000, -0.0014357500000000 ] - [ -0.0120963900000000, 0.0166612000000000, 0.0021189700000000 ] - [ 0.0120963900000000, 0.0166612000000000, 0.0021189700000000 ] - [ 0.0000000000000000, 0.0004194200000000, -0.0003016600000000 ] - [ 0.0000170300000000, -0.0021891600000000, -0.0009133500000000 ] - [ -0.0000170300000000, -0.0021891600000000, -0.0009133500000000 ] - [ 0.0000000000000000, -0.0024142000000000, -0.0001225700000000 ] - [ 0.0000000000000000, 0.0082828200000000, -0.0035585300000000 ] - [ 0.0000953600000000, 0.0058653600000000, -0.0012662400000000 ] - [ -0.0000953600000000, 0.0058653600000000, -0.0012662400000000 ] - [ 0.0000000000000000, 0.0045483000000000, 0.0014826100000000 ] - [ 0.0000493800000000, 0.0043396200000000, 0.0012506100000000 ] - [ -0.0000493800000000, 0.0043396200000000, 0.0012506100000000 ] - [ -0.0001295100000000, -0.0005253400000000, 0.0009186800000000 ] - [ 0.0001295100000000, -0.0005253400000000, 0.0009186800000000 ] - [ 0.0000000000000000, -0.0008282700000000, 0.0007076600000000 ] - [ 0.0000000000000000, 0.0069667100000000, -0.0115340900000000 ] - [ -0.0000219400000000, 0.0039627900000000, -0.0001526100000000 ] - [ 0.0000219400000000, 0.0039627900000000, -0.0001526100000000 ] - [ 0.0062847400000000, 0.0075548200000000, 0.0013018100000000 ] - [ -0.0062847400000000, 0.0075548200000000, 0.0013018100000000 ] - [ 0.0000000000000000, -0.0028662800000000, 0.0012986700000000 ] - [ 0.0000000000000000, 0.0010759500000000, -0.0008629200000000 ] - [ 0.0000415700000000, 0.0010629000000000, -0.0008310600000000 ] - [ -0.0000415700000000, 0.0010629000000000, -0.0008310600000000 ] - [ 0.0000473700000000, 0.0006528900000000, 0.0013099300000000 ] - [ -0.0000473700000000, 0.0006528900000000, 0.0013099300000000 ] - [ 0.0000000000000000, 0.0011783900000000, 0.0007151400000000 ] - [ 0.0000000000000000, -0.0043707800000000, -0.0013521500000000 ] - [ 0.0000099700000000, -0.0043042700000000, -0.0013373200000000 ] - [ -0.0000099700000000, -0.0043042700000000, -0.0013373200000000 ] - [ 0.0000000000000000, -0.0024497300000000, -0.0005859200000000 ] - [ 0.0001447200000000, -0.0020022200000000, -0.0007223000000000 ] - [ -0.0001447200000000, -0.0020022200000000, -0.0007223000000000 ] - [ 0.0000000000000000, -0.0031153000000000, 0.0005271900000000 ] - [ -0.0001063100000000, -0.0029588000000000, 0.0002891200000000 ] - [ 0.0001063100000000, -0.0029588000000000, 0.0002891200000000 ] - [ 0.0000792600000000, 0.0036948600000000, -0.0013207900000000 ] - [ -0.0000792600000000, 0.0036948600000000, -0.0013207900000000 ] - [ 0.0000000000000000, 0.0038062500000000, -0.0012750100000000 ] - [ 0.0000263600000000, 0.0040811400000000, 0.0013551500000000 ] - [ -0.0000263600000000, 0.0040811400000000, 0.0013551500000000 ] - [ 0.0000000000000000, 0.0040919800000000, 0.0013496700000000 ] - [ 0.0000000000000000, -0.0012449000000000, 0.0008582700000000 ] - [ 0.0000603100000000, -0.0012153000000000, 0.0007871800000000 ] - [ -0.0000603100000000, -0.0012153000000000, 0.0007871800000000 ] - [ -0.0000366000000000, 0.0021592000000000, 0.0001382500000000 ] - [ 0.0000366000000000, 0.0021592000000000, 0.0001382500000000 ] - [ 0.0000000000000000, 0.0023179400000000, 0.0001004300000000 ] - [ 0.0000000000000000, -0.0055401200000000, 0.0014123200000000 ] - [ -0.0003069800000000, -0.0049770200000000, 0.0013697800000000 ] - [ 0.0003069800000000, -0.0049770200000000, 0.0013697800000000 ] - [ 0.0000429400000000, 0.0010966300000000, -0.0005656400000000 ] - [ -0.0000429400000000, 0.0010966300000000, -0.0005656400000000 ] - [ 0.0000000000000000, 0.0011006600000000, -0.0006612800000000 ]- atom: 13 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0003599200000000, 0.0005403000000000 ] - [ -0.0000793100000000, -0.0003952300000000, 0.0002031100000000 ] - [ 0.0000793100000000, -0.0003952300000000, 0.0002031100000000 ] - [ -0.0003728200000000, -0.0000160100000000, 0.0011266100000000 ] - [ 0.0003728200000000, -0.0000160100000000, 0.0011266100000000 ] - [ 0.0000000000000000, 0.0005277500000000, 0.0002760400000000 ] - [ 0.0000023000000000, -0.0007587200000000, -0.0001264200000000 ] - [ -0.0000023000000000, -0.0007587200000000, -0.0001264200000000 ] - [ 0.0000000000000000, -0.0006735000000000, -0.0000653800000000 ] - [ 0.0000000000000000, -0.0015258000000000, -0.0024226100000000 ] - [ -0.0003909000000000, -0.0000119000000000, -0.0007419400000000 ] - [ 0.0003909000000000, -0.0000119000000000, -0.0007419400000000 ] - [ 0.0000000000000000, 0.0637264300000000, -0.0032101600000000 ] - [ -0.0003289300000000, 0.0115745700000000, 0.0022024400000000 ] - [ 0.0003289300000000, 0.0115745700000000, 0.0022024400000000 ] - [ -0.0001067400000000, -0.0021568100000000, 0.0002683700000000 ] - [ 0.0001067400000000, -0.0021568100000000, 0.0002683700000000 ] - [ 0.0000000000000000, -0.0022129900000000, 0.0003748400000000 ] - [ 0.0005854700000000, 0.0011160100000000, -0.0065335000000000 ] - [ -0.0005854700000000, 0.0011160100000000, -0.0065335000000000 ] - [ 0.0000000000000000, -0.0006151100000000, -0.0008143600000000 ] - [ 0.0000000000000000, 0.0022267300000000, -0.0002536000000000 ] - [ -0.0000673400000000, 0.0023038900000000, -0.0009368000000000 ] - [ 0.0000673400000000, 0.0023038900000000, -0.0009368000000000 ] - [ -0.0000460500000000, 0.0003144900000000, 0.0000318500000000 ] - [ 0.0000460500000000, 0.0003144900000000, 0.0000318500000000 ] - [ 0.0000000000000000, 0.0010385200000000, 0.0002271300000000 ] - [ 0.0000000000000000, -0.0022503900000000, 0.0009239300000000 ] - [ -0.0000875200000000, -0.0022567100000000, 0.0008017100000000 ] - [ 0.0000875200000000, -0.0022567100000000, 0.0008017100000000 ] - [ 0.0000000000000000, -0.0034407200000000, -0.0000306600000000 ] - [ -0.0005660500000000, -0.0029620000000000, -0.0002874100000000 ] - [ 0.0005660500000000, -0.0029620000000000, -0.0002874100000000 ] - [ -0.0000482400000000, 0.0020483000000000, -0.0004620700000000 ] - [ 0.0000482400000000, 0.0020483000000000, -0.0004620700000000 ] - [ 0.0000000000000000, 0.0021019600000000, -0.0005090700000000 ] - [ 0.0000481300000000, -0.0022172000000000, 0.0009239200000000 ] - [ -0.0000481300000000, -0.0022172000000000, 0.0009239200000000 ] - [ 0.0000000000000000, -0.0021854000000000, 0.0009825900000000 ] - [ -0.0007713900000000, -0.0013758500000000, -0.0016153400000000 ] - [ 0.0007713900000000, -0.0013758500000000, -0.0016153400000000 ] - [ 0.0000000000000000, -0.0027481200000000, -0.0002224800000000 ] - [ 0.0000000000000000, 0.0022268200000000, -0.0010185400000000 ] - [ 0.0000416000000000, 0.0022187300000000, -0.0010061100000000 ] - [ -0.0000416000000000, 0.0022187300000000, -0.0010061100000000 ] - [ 0.0000000000000000, -0.0002711800000000, 0.0009412300000000 ] - [ 0.0014127800000000, 0.0009525000000000, 0.0007254800000000 ] - [ -0.0014127800000000, 0.0009525000000000, 0.0007254800000000 ] - [ 0.0000000000000000, 0.0032105700000000, -0.0002695000000000 ] - [ -0.0001045700000000, 0.0030731700000000, -0.0001857900000000 ] - [ 0.0001045700000000, 0.0030731700000000, -0.0001857900000000 ] - [ 0.0005894900000000, -0.0031832400000000, 0.0020118700000000 ] - [ -0.0005894900000000, -0.0031832400000000, 0.0020118700000000 ] - [ 0.0000000000000000, -0.0022415400000000, -0.0007879400000000 ] - [ 0.0000000000000000, -0.0022526100000000, 0.0010090300000000 ] - [ -0.0000060100000000, -0.0022487000000000, 0.0009822000000000 ] - [ 0.0000060100000000, -0.0022487000000000, 0.0009822000000000 ] - [ 0.0000000000000000, -0.0031786500000000, 0.0004080500000000 ] - [ -0.0000126200000000, -0.0030393700000000, 0.0001784700000000 ] - [ 0.0000126200000000, -0.0030393700000000, 0.0001784700000000 ] - [ 0.0000384600000000, 0.0023258800000000, -0.0009200400000000 ] - [ -0.0000384600000000, 0.0023258800000000, -0.0009200400000000 ] - [ 0.0000000000000000, 0.0022520400000000, -0.0009691900000000 ] - [ 0.0002013400000000, 0.0007154900000000, 0.0018680000000000 ] - [ -0.0002013400000000, 0.0007154900000000, 0.0018680000000000 ] - [ 0.0000000000000000, 0.0023188000000000, 0.0010769200000000 ] - [ 0.0000238000000000, 0.0026931400000000, 0.0004044100000000 ] - [ -0.0000238000000000, 0.0026931400000000, 0.0004044100000000 ] - [ 0.0000000000000000, 0.0029173000000000, 0.0000310100000000 ] - [ 0.0000000000000000, -0.0023641300000000, -0.0011652000000000 ] - [ -0.0000183800000000, -0.0024175700000000, -0.0010410200000000 ] - [ 0.0000183800000000, -0.0024175700000000, -0.0010410200000000 ] - [ 0.0000000000000000, 0.0002372400000000, 0.0015308900000000 ] - [ -0.0004898300000000, 0.0008726400000000, 0.0016979700000000 ] - [ 0.0004898300000000, 0.0008726400000000, 0.0016979700000000 ] - [ 0.0000933600000000, -0.0043707100000000, -0.0012639900000000 ] - [ -0.0000933600000000, -0.0043707100000000, -0.0012639900000000 ] - [ 0.0000000000000000, -0.0042999800000000, -0.0011835000000000 ] - [ 0.0115362700000000, -0.0184088400000000, -0.0034823000000000 ] - [ -0.0115362700000000, -0.0184088400000000, -0.0034823000000000 ] - [ 0.0000000000000000, -0.0025820900000000, -0.0011652000000000 ] - [ -0.0000133900000000, -0.0032744900000000, 0.0009244900000000 ] - [ 0.0000133900000000, -0.0032744900000000, 0.0009244900000000 ] - [ 0.0000000000000000, -0.0030461900000000, 0.0001285700000000 ] - [ 0.0000000000000000, 0.0001176100000000, 0.0011302800000000 ] - [ -0.0001019300000000, 0.0025521500000000, -0.0013454500000000 ] - [ 0.0001019300000000, 0.0025521500000000, -0.0013454500000000 ] - [ 0.0000000000000000, 0.0038634000000000, 0.0011422700000000 ] - [ -0.0000461400000000, 0.0040754300000000, 0.0013687000000000 ] - [ 0.0000461400000000, 0.0040754300000000, 0.0013687000000000 ] - [ 0.0001279500000000, -0.0016156900000000, 0.0005500300000000 ] - [ -0.0001279500000000, -0.0016156900000000, 0.0005500300000000 ] - [ 0.0000000000000000, -0.0013180700000000, 0.0007583800000000 ] - [ 0.0000000000000000, -0.0013809500000000, 0.0114531300000000 ] - [ 0.0000171000000000, 0.0015037600000000, 0.0001398700000000 ] - [ -0.0000171000000000, 0.0015037600000000, 0.0001398700000000 ] - [ -0.0066437400000000, -0.0162967500000000, 0.0012462900000000 ] - [ 0.0066437400000000, -0.0162967500000000, 0.0012462900000000 ] - [ 0.0000000000000000, -0.0055406400000000, 0.0013228400000000 ] - [ 0.0000000000000000, 0.0010677600000000, -0.0006011900000000 ] - [ -0.0000417300000000, 0.0010864000000000, -0.0006327600000000 ] - [ 0.0000417300000000, 0.0010864000000000, -0.0006327600000000 ] - [ -0.0000503900000000, 0.0015039000000000, 0.0001474900000000 ] - [ 0.0000503900000000, 0.0015039000000000, 0.0001474900000000 ] - [ 0.0000000000000000, 0.0009623400000000, 0.0007470100000000 ] - [ 0.0000000000000000, -0.0040442800000000, -0.0012674500000000 ] - [ -0.0000112400000000, -0.0041096600000000, -0.0012802400000000 ] - [ 0.0000112400000000, -0.0041096600000000, -0.0012802400000000 ] - [ 0.0000000000000000, 0.0002935800000000, -0.0008808800000000 ] - [ -0.0001465200000000, -0.0001436500000000, -0.0007440300000000 ] - [ 0.0001465200000000, -0.0001436500000000, -0.0007440300000000 ] - [ 0.0000000000000000, -0.0023441800000000, -0.0005254100000000 ] - [ 0.0001070300000000, -0.0025011900000000, -0.0002863200000000 ] - [ -0.0001070300000000, -0.0025011900000000, -0.0002863200000000 ] - [ -0.0000792000000000, 0.0047226200000000, -0.0012979500000000 ] - [ 0.0000792000000000, 0.0047226200000000, -0.0012979500000000 ] - [ 0.0000000000000000, 0.0046120100000000, -0.0013452000000000 ] - [ -0.0000214200000000, 0.0043326500000000, 0.0012654700000000 ] - [ 0.0000214200000000, 0.0043326500000000, 0.0012654700000000 ] - [ 0.0000000000000000, 0.0043180300000000, 0.0012727500000000 ] - [ 0.0000000000000000, -0.0008982500000000, 0.0006071800000000 ] - [ -0.0000605500000000, -0.0009261400000000, 0.0006739000000000 ] - [ 0.0000605500000000, -0.0009261400000000, 0.0006739000000000 ] - [ 0.0000363800000000, 0.0033022500000000, -0.0001430500000000 ] - [ -0.0000363800000000, 0.0033022500000000, -0.0001430500000000 ] - [ 0.0000000000000000, 0.0031447800000000, -0.0001049500000000 ] - [ 0.0000000000000000, -0.0028658500000000, 0.0012098300000000 ] - [ 0.0003011400000000, -0.0034354200000000, 0.0012510800000000 ] - [ -0.0003011400000000, -0.0034354200000000, 0.0012510800000000 ] - [ -0.0000435800000000, 0.0010512200000000, -0.0008994400000000 ] - [ 0.0000435800000000, 0.0010512200000000, -0.0008994400000000 ] - [ 0.0000000000000000, 0.0010421700000000, -0.0008052600000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0010875300000000, 0.0016550000000000 ] - [ -0.0001208900000000, -0.0006375100000000, 0.0004304700000000 ] - [ 0.0001208900000000, -0.0006375100000000, 0.0004304700000000 ] - [ -0.0008367100000000, -0.0008312800000000, -0.0005141400000000 ] - [ 0.0008367100000000, -0.0008312800000000, -0.0005141400000000 ] - [ 0.0000000000000000, 0.0002618600000000, -0.0002838800000000 ] - [ 0.0000353300000000, -0.0003290000000000, 0.0003418800000000 ] - [ -0.0000353300000000, -0.0003290000000000, 0.0003418800000000 ] - [ 0.0000000000000000, -0.0004223900000000, 0.0002934500000000 ] - [ 0.0000000000000000, 0.0026579900000000, 0.0004380600000000 ] - [ 0.0003231400000000, 0.0009622100000000, -0.0000980900000000 ] - [ -0.0003231400000000, 0.0009622100000000, -0.0000980900000000 ] - [ 0.0000000000000000, 0.0060882200000000, -0.0856154400000000 ] - [ -0.0002112400000000, 0.0006101300000000, -0.0017329500000000 ] - [ 0.0002112400000000, 0.0006101300000000, -0.0017329500000000 ] - [ -0.0002637300000000, -0.0025368000000000, 0.0024630200000000 ] - [ 0.0002637300000000, -0.0025368000000000, 0.0024630200000000 ] - [ 0.0000000000000000, -0.0024324900000000, 0.0014265900000000 ] - [ 0.0065865000000000, 0.0036830500000000, 0.0032719500000000 ] - [ -0.0065865000000000, 0.0036830500000000, 0.0032719500000000 ] - [ 0.0000000000000000, -0.0019956900000000, -0.0002586500000000 ] - [ 0.0000000000000000, 0.0025522500000000, 0.0087080400000000 ] - [ 0.0009444200000000, 0.0018676800000000, 0.0000308300000000 ] - [ -0.0009444200000000, 0.0018676800000000, 0.0000308300000000 ] - [ 0.0000925900000000, 0.0027770000000000, 0.0003037300000000 ] - [ -0.0000925900000000, 0.0027770000000000, 0.0003037300000000 ] - [ 0.0000000000000000, 0.0025815900000000, 0.0003321600000000 ] - [ 0.0000000000000000, -0.0018846800000000, 0.0011701100000000 ] - [ 0.0001915300000000, -0.0020058500000000, 0.0010581200000000 ] - [ -0.0001915300000000, -0.0020058500000000, 0.0010581200000000 ] - [ 0.0000000000000000, -0.0027783900000000, -0.0006113500000000 ] - [ -0.0004351400000000, -0.0025207400000000, -0.0005452200000000 ] - [ 0.0004351400000000, -0.0025207400000000, -0.0005452200000000 ] - [ -0.0001162800000000, 0.0023455900000000, -0.0008834100000000 ] - [ 0.0001162800000000, 0.0023455900000000, -0.0008834100000000 ] - [ 0.0000000000000000, 0.0022981300000000, -0.0008760500000000 ] - [ 0.0001721100000000, -0.0022376500000000, 0.0013964100000000 ] - [ -0.0001721100000000, -0.0022376500000000, 0.0013964100000000 ] - [ 0.0000000000000000, -0.0021423700000000, 0.0009973200000000 ] - [ -0.0024230200000000, 0.0007254700000000, -0.0004571000000000 ] - [ 0.0024230200000000, 0.0007254700000000, -0.0004571000000000 ] - [ 0.0000000000000000, -0.0022606000000000, -0.0000121800000000 ] - [ 0.0000000000000000, 0.0020743900000000, -0.0008776300000000 ] - [ 0.0002253900000000, 0.0019484300000000, -0.0008254300000000 ] - [ -0.0002253900000000, 0.0019484300000000, -0.0008254300000000 ] - [ 0.0000000000000000, 0.0028630700000000, 0.0009059800000000 ] - [ 0.0000628700000000, 0.0022959100000000, 0.0015496800000000 ] - [ -0.0000628700000000, 0.0022959100000000, 0.0015496800000000 ] - [ 0.0000000000000000, 0.0029689200000000, 0.0001020300000000 ] - [ -0.0000489900000000, 0.0031590500000000, 0.0000219300000000 ] - [ 0.0000489900000000, 0.0031590500000000, 0.0000219300000000 ] - [ 0.0030073200000000, -0.0052018600000000, -0.0018901900000000 ] - [ -0.0030073200000000, -0.0052018600000000, -0.0018901900000000 ] - [ 0.0000000000000000, -0.0026279700000000, -0.0012360300000000 ] - [ 0.0000000000000000, -0.0021511700000000, 0.0010370200000000 ] - [ 0.0000011600000000, -0.0021604600000000, 0.0010175900000000 ] - [ -0.0000011600000000, -0.0021604600000000, 0.0010175900000000 ] - [ 0.0000000000000000, -0.0027589300000000, -0.0003175500000000 ] - [ 0.0000265400000000, -0.0028341800000000, -0.0001906400000000 ] - [ -0.0000265400000000, -0.0028341800000000, -0.0001906400000000 ] - [ 0.0000421200000000, 0.0028715400000000, -0.0005506700000000 ] - [ -0.0000421200000000, 0.0028715400000000, -0.0005506700000000 ] - [ 0.0000000000000000, 0.0022591000000000, -0.0008374700000000 ] - [ 0.0002336100000000, 0.0028044300000000, 0.0003480100000000 ] - [ -0.0002336100000000, 0.0028044300000000, 0.0003480100000000 ] - [ 0.0000000000000000, 0.0022573900000000, 0.0008786500000000 ] - [ -0.0000011500000000, 0.0031055200000000, 0.0004476400000000 ] - [ 0.0000011500000000, 0.0031055200000000, 0.0004476400000000 ] - [ 0.0000000000000000, 0.0029546400000000, 0.0001217200000000 ] - [ 0.0000000000000000, -0.0020549300000000, -0.0012215200000000 ] - [ -0.0000466700000000, -0.0020896900000000, -0.0011141800000000 ] - [ 0.0000466700000000, -0.0020896900000000, -0.0011141800000000 ] - [ 0.0000000000000000, 0.0001400400000000, 0.0009790900000000 ] - [ 0.0007840600000000, 0.0002925600000000, 0.0004015000000000 ] - [ -0.0007840600000000, 0.0002925600000000, 0.0004015000000000 ] - [ 0.0008238600000000, -0.0035488000000000, -0.0024458900000000 ] - [ -0.0008238600000000, -0.0035488000000000, -0.0024458900000000 ] - [ 0.0000000000000000, -0.0039246800000000, -0.0016366700000000 ] - [ -0.0026957900000000, 0.0015920100000000, 0.0041854500000000 ] - [ 0.0026957900000000, 0.0015920100000000, 0.0041854500000000 ] - [ 0.0000000000000000, -0.0008256300000000, -0.0001299100000000 ] - [ -0.0003759000000000, -0.0033637700000000, -0.0019944100000000 ] - [ 0.0003759000000000, -0.0033637700000000, -0.0019944100000000 ] - [ 0.0000000000000000, -0.0028455400000000, -0.0006489500000000 ] - [ 0.0000000000000000, -0.0026072100000000, 0.0318859000000000 ] - [ 0.0002967200000000, 0.0046072500000000, -0.0002092500000000 ] - [ -0.0002967200000000, 0.0046072500000000, -0.0002092500000000 ] - [ 0.0000000000000000, 0.0044870300000000, -0.0006868200000000 ] - [ -0.0001185200000000, 0.0043737800000000, 0.0008364400000000 ] - [ 0.0001185200000000, 0.0043737800000000, 0.0008364400000000 ] - [ 0.0007711300000000, -0.0022870400000000, -0.0011873700000000 ] - [ -0.0007711300000000, -0.0022870400000000, -0.0011873700000000 ] - [ 0.0000000000000000, -0.0011620000000000, 0.0006471900000000 ] - [ 0.0000000000000000, -0.0083462200000000, 0.0307793200000000 ] - [ 0.0000437400000000, 0.0019144000000000, 0.0011843400000000 ] - [ -0.0000437400000000, 0.0019144000000000, 0.0011843400000000 ] - [ 0.0001306800000000, -0.0031893200000000, 0.0032084300000000 ] - [ -0.0001306800000000, -0.0031893200000000, 0.0032084300000000 ] - [ 0.0000000000000000, -0.0039489500000000, 0.0017830400000000 ] - [ 0.0000000000000000, 0.0010901800000000, -0.0013620600000000 ] - [ -0.0000664600000000, 0.0010873400000000, -0.0014883400000000 ] - [ 0.0000664600000000, 0.0010873400000000, -0.0014883400000000 ] - [ -0.0004255900000000, 0.0021220500000000, 0.0009655400000000 ] - [ 0.0004255900000000, 0.0021220500000000, 0.0009655400000000 ] - [ 0.0000000000000000, 0.0011551900000000, 0.0007652200000000 ] - [ 0.0000000000000000, -0.0045044100000000, -0.0015050900000000 ] - [ -0.0001359500000000, -0.0044606100000000, -0.0014524300000000 ] - [ 0.0001359500000000, -0.0044606100000000, -0.0014524300000000 ] - [ 0.0000000000000000, -0.0016546800000000, -0.0001665500000000 ] - [ 0.0001181300000000, -0.0016055400000000, -0.0002358000000000 ] - [ -0.0001181300000000, -0.0016055400000000, -0.0002358000000000 ] - [ 0.0000000000000000, -0.0030401600000000, -0.0006837300000000 ] - [ 0.0000051400000000, -0.0028957000000000, -0.0005478400000000 ] - [ -0.0000051400000000, -0.0028957000000000, -0.0005478400000000 ] - [ -0.0000874400000000, 0.0041798700000000, -0.0010798400000000 ] - [ 0.0000874400000000, 0.0041798700000000, -0.0010798400000000 ] - [ 0.0000000000000000, 0.0042163900000000, -0.0011560300000000 ] - [ 0.0000441100000000, 0.0041098000000000, 0.0011742300000000 ] - [ -0.0000441100000000, 0.0041098000000000, 0.0011742300000000 ] - [ 0.0000000000000000, 0.0041059000000000, 0.0011497900000000 ] - [ 0.0000000000000000, -0.0009465800000000, 0.0006578200000000 ] - [ -0.0000587400000000, -0.0010212500000000, 0.0006621600000000 ] - [ 0.0000587400000000, -0.0010212500000000, 0.0006621600000000 ] - [ 0.0000023000000000, 0.0024861200000000, 0.0004506200000000 ] - [ -0.0000023000000000, 0.0024861200000000, 0.0004506200000000 ] - [ 0.0000000000000000, 0.0025771900000000, 0.0004188800000000 ] - [ 0.0000000000000000, -0.0046908200000000, 0.0015505700000000 ] - [ -0.0001316700000000, -0.0046232600000000, 0.0014843200000000 ] - [ 0.0001316700000000, -0.0046232600000000, 0.0014843200000000 ] - [ -0.0000307100000000, 0.0007115500000000, -0.0015707000000000 ] - [ 0.0000307100000000, 0.0007115500000000, -0.0015707000000000 ] - [ 0.0000000000000000, 0.0009996700000000, -0.0010001500000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000488600000000, -0.0016614500000000 ] - [ 0.0001209500000000, -0.0004014200000000, -0.0004252500000000 ] - [ -0.0001209500000000, -0.0004014200000000, -0.0004252500000000 ] - [ 0.0008330200000000, 0.0018605700000000, 0.0005095900000000 ] - [ -0.0008330200000000, 0.0018605700000000, 0.0005095900000000 ] - [ 0.0000000000000000, 0.0007759100000000, 0.0002777000000000 ] - [ -0.0000342100000000, -0.0007095800000000, -0.0003380000000000 ] - [ 0.0000342100000000, -0.0007095800000000, -0.0003380000000000 ] - [ 0.0000000000000000, -0.0006168500000000, -0.0002908700000000 ] - [ 0.0000000000000000, -0.0016069200000000, -0.0004438300000000 ] - [ -0.0003229300000000, 0.0000767400000000, 0.0000893600000000 ] - [ 0.0003229300000000, 0.0000767400000000, 0.0000893600000000 ] - [ 0.0000000000000000, -0.0014331500000000, 0.0870108000000000 ] - [ 0.0001735000000000, 0.0038321700000000, 0.0029054700000000 ] - [ -0.0001735000000000, 0.0038321700000000, 0.0029054700000000 ] - [ 0.0002661500000000, -0.0019009900000000, -0.0012895900000000 ] - [ -0.0002661500000000, -0.0019009900000000, -0.0012895900000000 ] - [ 0.0000000000000000, -0.0020062600000000, -0.0002527900000000 ] - [ -0.0066477300000000, -0.0081808500000000, -0.0045015800000000 ] - [ 0.0066477300000000, -0.0081808500000000, -0.0045015800000000 ] - [ 0.0000000000000000, -0.0024451700000000, -0.0009097600000000 ] - [ 0.0000000000000000, 0.0018785700000000, -0.0098331700000000 ] - [ -0.0009423200000000, 0.0025673600000000, -0.0012017100000000 ] - [ 0.0009423200000000, 0.0025673600000000, -0.0012017100000000 ] - [ -0.0000906900000000, 0.0016623300000000, 0.0008712200000000 ] - [ 0.0000906900000000, 0.0016623300000000, 0.0008712200000000 ] - [ 0.0000000000000000, 0.0018576100000000, 0.0008439600000000 ] - [ 0.0000000000000000, -0.0025537500000000, 0.0000050400000000 ] - [ -0.0001912600000000, -0.0024323100000000, 0.0001162900000000 ] - [ 0.0001912600000000, -0.0024323100000000, 0.0001162900000000 ] - [ 0.0000000000000000, -0.0016571100000000, -0.0005575400000000 ] - [ 0.0004375300000000, -0.0019169300000000, -0.0006264400000000 ] - [ -0.0004375300000000, -0.0019169300000000, -0.0006264400000000 ] - [ 0.0001163600000000, 0.0020934100000000, -0.0002936600000000 ] - [ -0.0001163600000000, 0.0020934100000000, -0.0002936600000000 ] - [ 0.0000000000000000, 0.0021406000000000, -0.0003004200000000 ] - [ -0.0001705200000000, -0.0021988900000000, 0.0005553800000000 ] - [ 0.0001705200000000, -0.0021988900000000, 0.0005553800000000 ] - [ 0.0000000000000000, -0.0022951200000000, 0.0009544100000000 ] - [ 0.0023638400000000, -0.0064931900000000, 0.0004934600000000 ] - [ -0.0023638400000000, -0.0064931900000000, 0.0004934600000000 ] - [ 0.0000000000000000, -0.0035453700000000, 0.0000097900000000 ] - [ 0.0000000000000000, 0.0023631300000000, -0.0010718400000000 ] - [ -0.0002249700000000, 0.0024903000000000, -0.0011241600000000 ] - [ 0.0002249700000000, 0.0024903000000000, -0.0011241600000000 ] - [ 0.0000000000000000, 0.0015674800000000, 0.0010343600000000 ] - [ -0.0000637100000000, 0.0021360200000000, 0.0003981400000000 ] - [ 0.0000637100000000, 0.0021360200000000, 0.0003981400000000 ] - [ 0.0000000000000000, 0.0028256600000000, -0.0000971900000000 ] - [ 0.0000468200000000, 0.0026493000000000, -0.0000216900000000 ] - [ -0.0000468200000000, 0.0026493000000000, -0.0000216900000000 ] - [ -0.0030812000000000, 0.0008139400000000, -0.0000824300000000 ] - [ 0.0030812000000000, 0.0008139400000000, -0.0000824300000000 ] - [ 0.0000000000000000, -0.0018079400000000, -0.0007166000000000 ] - [ 0.0000000000000000, -0.0022848500000000, 0.0009133900000000 ] - [ -0.0000008600000000, -0.0022759200000000, 0.0009318900000000 ] - [ 0.0000008600000000, -0.0022759200000000, 0.0009318900000000 ] - [ 0.0000000000000000, -0.0030440400000000, 0.0003155500000000 ] - [ -0.0000264600000000, -0.0029732900000000, 0.0001896700000000 ] - [ 0.0000264600000000, -0.0029732900000000, 0.0001896700000000 ] - [ -0.0000418200000000, 0.0015693300000000, -0.0013962000000000 ] - [ 0.0000418200000000, 0.0015693300000000, -0.0013962000000000 ] - [ 0.0000000000000000, 0.0021800200000000, -0.0011101500000000 ] - [ -0.0002326500000000, 0.0016289500000000, 0.0016077800000000 ] - [ 0.0002326500000000, 0.0016289500000000, 0.0016077800000000 ] - [ 0.0000000000000000, 0.0021787900000000, 0.0010714100000000 ] - [ 0.0000014700000000, 0.0026994600000000, -0.0004467200000000 ] - [ -0.0000014700000000, 0.0026994600000000, -0.0004467200000000 ] - [ 0.0000000000000000, 0.0028424500000000, -0.0001197300000000 ] - [ 0.0000000000000000, -0.0023787600000000, -0.0007245600000000 ] - [ 0.0000474300000000, -0.0023455800000000, -0.0008321700000000 ] - [ -0.0000474300000000, -0.0023455800000000, -0.0008321700000000 ] - [ 0.0000000000000000, 0.0020174700000000, 0.0004832700000000 ] - [ -0.0007916100000000, 0.0018721100000000, 0.0010839100000000 ] - [ 0.0007916100000000, 0.0018721100000000, 0.0010839100000000 ] - [ -0.0008282800000000, -0.0048569900000000, -0.0001624500000000 ] - [ 0.0008282800000000, -0.0048569900000000, -0.0001624500000000 ] - [ 0.0000000000000000, -0.0044811600000000, -0.0009690400000000 ] - [ 0.0027948500000000, -0.0038672500000000, -0.0056995400000000 ] - [ -0.0027948500000000, -0.0038672500000000, -0.0056995400000000 ] - [ 0.0000000000000000, -0.0013263000000000, -0.0013433900000000 ] - [ 0.0003740200000000, -0.0021079500000000, 0.0019983100000000 ] - [ -0.0003740200000000, -0.0021079500000000, 0.0019983100000000 ] - [ 0.0000000000000000, -0.0026298300000000, 0.0006518500000000 ] - [ 0.0000000000000000, 0.0112739500000000, -0.0362288700000000 ] - [ -0.0002972100000000, 0.0038052400000000, -0.0024072000000000 ] - [ 0.0002972100000000, 0.0038052400000000, -0.0024072000000000 ] - [ 0.0000000000000000, 0.0039120800000000, 0.0032971200000000 ] - [ 0.0001228500000000, 0.0040295200000000, 0.0017729600000000 ] - [ -0.0001228500000000, 0.0040295200000000, 0.0017729600000000 ] - [ -0.0007670800000000, 0.0001217700000000, 0.0026480300000000 ] - [ 0.0007670800000000, 0.0001217700000000, 0.0026480300000000 ] - [ 0.0000000000000000, -0.0009945800000000, 0.0008247000000000 ] - [ 0.0000000000000000, 0.0133922100000000, -0.0291499600000000 ] - [ -0.0000422100000000, 0.0035561800000000, -0.0011794900000000 ] - [ 0.0000422100000000, 0.0035561800000000, -0.0011794900000000 ] - [ -0.0000495800000000, -0.0051368700000000, -0.0006010800000000 ] - [ 0.0000495800000000, -0.0051368700000000, -0.0006010800000000 ] - [ 0.0000000000000000, -0.0044621300000000, 0.0008184500000000 ] - [ 0.0000000000000000, 0.0010691500000000, -0.0001085100000000 ] - [ 0.0000672800000000, 0.0010694400000000, 0.0000163700000000 ] - [ -0.0000672800000000, 0.0010694400000000, 0.0000163700000000 ] - [ 0.0004304100000000, 0.0000246300000000, 0.0005090400000000 ] - [ -0.0004304100000000, 0.0000246300000000, 0.0005090400000000 ] - [ 0.0000000000000000, 0.0010008900000000, 0.0007093500000000 ] - [ 0.0000000000000000, -0.0039012500000000, -0.0011013900000000 ] - [ 0.0001367300000000, -0.0039462000000000, -0.0011534900000000 ] - [ -0.0001367300000000, -0.0039462000000000, -0.0011534900000000 ] - [ 0.0000000000000000, -0.0005043500000000, -0.0013071800000000 ] - [ -0.0001180600000000, -0.0005492900000000, -0.0012378500000000 ] - [ 0.0001180600000000, -0.0005492900000000, -0.0012378500000000 ] - [ 0.0000000000000000, -0.0024379200000000, 0.0006856400000000 ] - [ -0.0000066300000000, -0.0025797100000000, 0.0005507700000000 ] - [ 0.0000066300000000, -0.0025797100000000, 0.0005507700000000 ] - [ 0.0000893000000000, 0.0042284400000000, -0.0015294600000000 ] - [ -0.0000893000000000, 0.0042284400000000, -0.0015294600000000 ] - [ 0.0000000000000000, 0.0041907200000000, -0.0014530100000000 ] - [ -0.0000467300000000, 0.0042942800000000, 0.0014363700000000 ] - [ 0.0000467300000000, 0.0042942800000000, 0.0014363700000000 ] - [ 0.0000000000000000, 0.0043007100000000, 0.0014588500000000 ] - [ 0.0000000000000000, -0.0012092400000000, 0.0008091600000000 ] - [ 0.0000583900000000, -0.0011344300000000, 0.0008098600000000 ] - [ -0.0000583900000000, -0.0011344300000000, 0.0008098600000000 ] - [ -0.0000039700000000, 0.0029919700000000, -0.0004529500000000 ] - [ 0.0000039700000000, 0.0029919700000000, -0.0004529500000000 ] - [ 0.0000000000000000, 0.0029021000000000, -0.0004218200000000 ] - [ 0.0000000000000000, -0.0037145600000000, 0.0010526900000000 ] - [ 0.0001332900000000, -0.0037851600000000, 0.0011197200000000 ] - [ -0.0001332900000000, -0.0037851600000000, 0.0011197200000000 ] - [ 0.0000307300000000, 0.0014496300000000, 0.0000988500000000 ] - [ -0.0000307300000000, 0.0014496300000000, 0.0000988500000000 ] - [ 0.0000000000000000, 0.0011576800000000, -0.0004730100000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000900900000000, -0.0002849000000000, 0.0003325800000000 ] - [ 0.0001183900000000, -0.0005209000000000, 0.0000012000000000 ] - [ -0.0000935600000000, -0.0007575100000000, -0.0003267500000000 ] - [ 0.0000273800000000, 0.0005199800000000, -0.0000024900000000 ] - [ -0.0000124500000000, 0.0005084300000000, -0.0000337800000000 ] - [ -0.0000123800000000, 0.0005326200000000, 0.0000298100000000 ] - [ -0.0000064300000000, -0.0005198000000000, 0.0000021300000000 ] - [ -0.0000031500000000, -0.0005490300000000, 0.0000230600000000 ] - [ -0.0000042200000000, -0.0004902500000000, -0.0000200100000000 ] - [ 0.0000602200000000, 0.0005507200000000, -0.0000618000000000 ] - [ -0.0000177200000000, 0.0005193800000000, -0.0000026600000000 ] - [ 0.0000582500000000, 0.0004900200000000, 0.0000549700000000 ] - [ -0.0000144000000000, 0.0021703600000000, 0.0007578800000000 ] - [ 0.0000020700000000, 0.0022179500000000, 0.0005876200000000 ] - [ -0.0000158900000000, 0.0022660300000000, 0.0004145400000000 ] - [ -0.0040030400000000, -0.0022282900000000, 0.0005883400000000 ] - [ 0.0016617900000000, -0.0036270100000000, 0.0005216600000000 ] - [ 0.0016715900000000, -0.0007803700000000, 0.0006469500000000 ] - [ -0.0000686500000000, -0.0022185600000000, -0.0005874300000000 ] - [ 0.0000076100000000, -0.0022597800000000, -0.0003648100000000 ] - [ 0.0000066800000000, -0.0021758500000000, -0.0008139100000000 ] - [ -0.0000085400000000, 0.0015913200000000, -0.0036471700000000 ] - [ 0.0003583200000000, 0.0022176600000000, -0.0005863000000000 ] - [ -0.0000639600000000, 0.0027958200000000, 0.0024415800000000 ] - [ -0.0000002800000000, 0.0022184000000000, 0.0005869800000000 ] - [ -0.0000014000000000, 0.0022124800000000, 0.0005858300000000 ] - [ -0.0000019900000000, 0.0022242600000000, 0.0005879400000000 ] - [ -0.0000924900000000, -0.0020092400000000, 0.0008188900000000 ] - [ 0.0002686100000000, -0.0022180100000000, 0.0005875500000000 ] - [ -0.0001045500000000, -0.0024171800000000, 0.0003537100000000 ] - [ -0.0000073300000000, -0.0021788100000000, -0.0006292000000000 ] - [ 0.0000221900000000, -0.0022179500000000, -0.0005870900000000 ] - [ -0.0000085000000000, -0.0022570900000000, -0.0005450000000000 ] - [ 0.0000398800000000, 0.0022201200000000, -0.0005895200000000 ] - [ 0.0000153800000000, 0.0022007300000000, -0.0006351900000000 ] - [ 0.0000119300000000, 0.0022370600000000, -0.0005407200000000 ] - [ -0.0332646300000000, -0.0015270000000000, 0.0006545600000000 ] - [ 0.0013732400000000, -0.0018211700000000, 0.0007454600000000 ] - [ 0.0013635500000000, -0.0026115100000000, 0.0011921200000000 ] - [ 0.0005456800000000, -0.0028977300000000, -0.0000006200000000 ] - [ -0.0000538100000000, -0.0029826900000000, -0.0000515500000000 ] - [ -0.0000543800000000, -0.0028168500000000, 0.0000508000000000 ] - [ 0.0000116200000000, 0.0022911600000000, -0.0009664200000000 ] - [ 0.0001043600000000, 0.0022171500000000, -0.0009775700000000 ] - [ 0.0000106500000000, 0.0021446400000000, -0.0009879700000000 ] - [ 0.0000046400000000, 0.0022181100000000, 0.0009783300000000 ] - [ -0.0000241800000000, 0.0022153700000000, 0.0009753900000000 ] - [ 0.0000043200000000, 0.0022141700000000, 0.0009728200000000 ] - [ -0.0000394900000000, 0.0029399100000000, 0.0000176000000000 ] - [ 0.0001366400000000, 0.0028996700000000, 0.0000000700000000 ] - [ -0.0000404900000000, 0.0028556600000000, -0.0000173000000000 ] - [ -0.0000046600000000, -0.0022169500000000, -0.0009762300000000 ] - [ 0.0000130700000000, -0.0022221300000000, -0.0009733700000000 ] - [ 0.0000126000000000, -0.0022093300000000, -0.0009796800000000 ] - [ 0.0000045000000000, -0.0022846300000000, 0.0009023000000000 ] - [ -0.0000082800000000, -0.0022158500000000, 0.0009771800000000 ] - [ 0.0000042100000000, -0.0021477100000000, 0.0010516500000000 ] - [ 0.0000006800000000, -0.0029050300000000, -0.0000083700000000 ] - [ -0.0000063400000000, -0.0028999900000000, -0.0000001700000000 ] - [ 0.0000009800000000, -0.0028923300000000, 0.0000069100000000 ] - [ 0.0001078900000000, 0.0021941400000000, -0.0009677600000000 ] - [ 0.0000118200000000, 0.0022638100000000, -0.0010359000000000 ] - [ 0.0000112400000000, 0.0021666600000000, -0.0009170500000000 ] - [ 0.0000071800000000, 0.0022164200000000, 0.0009760600000000 ] - [ -0.0000039900000000, 0.0022091600000000, 0.0009851700000000 ] - [ -0.0000066200000000, 0.0022217400000000, 0.0009657000000000 ] - [ 0.0001669900000000, 0.0028952800000000, -0.0000010100000000 ] - [ -0.0000246700000000, 0.0029377400000000, 0.0000654300000000 ] - [ -0.0000260200000000, 0.0028622300000000, -0.0000653300000000 ] - [ 0.0000098100000000, -0.0022229200000000, -0.0009717500000000 ] - [ -0.0000022800000000, -0.0022153000000000, -0.0009765100000000 ] - [ 0.0000092900000000, -0.0022083200000000, -0.0009805600000000 ] - [ 0.0000217800000000, 0.0010629900000000, 0.0007260100000000 ] - [ -0.0000380000000000, 0.0010719700000000, 0.0007331800000000 ] - [ 0.0000223000000000, 0.0010816200000000, 0.0007435900000000 ] - [ 0.0002209700000000, -0.0042044900000000, -0.0013036300000000 ] - [ -0.0001889800000000, -0.0041059500000000, -0.0010617500000000 ] - [ -0.0001862900000000, -0.0043097200000000, -0.0015565000000000 ] - [ -0.0000154400000000, -0.0010731900000000, -0.0007335700000000 ] - [ 0.0000074900000000, -0.0010566000000000, -0.0007375300000000 ] - [ 0.0000073300000000, -0.0010869300000000, -0.0007301500000000 ] - [ 0.0002428600000000, -0.0027309300000000, 0.0000010600000000 ] - [ -0.0001198400000000, -0.0026253200000000, -0.0004130000000000 ] - [ -0.0001234900000000, -0.0028409900000000, 0.0004231300000000 ] - [ 0.0000161800000000, 0.0042410000000000, -0.0013670400000000 ] - [ -0.0000476300000000, 0.0042077000000000, -0.0013077600000000 ] - [ 0.0000167700000000, 0.0041743900000000, -0.0012476600000000 ] - [ 0.0166707600000000, -0.0039626800000000, 0.0088557400000000 ] - [ -0.0007723000000000, 0.0042084700000000, 0.0013061600000000 ] - [ 0.0157690000000000, 0.0117413500000000, -0.0058837200000000 ] - [ -0.0007405700000000, -0.0010683700000000, 0.0008027800000000 ] - [ -0.0001857500000000, -0.0009365800000000, 0.0010016900000000 ] - [ -0.0001887300000000, -0.0012075800000000, 0.0004595700000000 ] - [ 0.0003308400000000, 0.0023487200000000, -0.0001980000000000 ] - [ -0.0000452800000000, 0.0027325700000000, -0.0000031000000000 ] - [ 0.0003351000000000, 0.0031204000000000, 0.0001936800000000 ] - [ 0.0000202800000000, -0.0042087200000000, 0.0013062800000000 ] - [ 0.0000127500000000, -0.0042128600000000, 0.0012296600000000 ] - [ 0.0000164500000000, -0.0042026400000000, 0.0013848000000000 ] - [ 0.0001984700000000, 0.0014730200000000, -0.0007417200000000 ] - [ -0.0014329800000000, 0.0010682800000000, -0.0007331000000000 ] - [ 0.0002056400000000, 0.0006738100000000, -0.0007282100000000 ] - [ 0.0000155200000000, 0.0010728500000000, 0.0007314100000000 ] - [ -0.0000167000000000, 0.0010519200000000, 0.0007057800000000 ] - [ -0.0000166000000000, 0.0010946000000000, 0.0007614300000000 ] - [ 0.0001846800000000, -0.0040011200000000, -0.0014301400000000 ] - [ -0.0000478300000000, -0.0042076000000000, -0.0013064900000000 ] - [ 0.0001836700000000, -0.0044103200000000, -0.0011842600000000 ] - [ -0.0000030100000000, -0.0010686400000000, -0.0007410500000000 ] - [ 0.0000079300000000, -0.0010734700000000, -0.0007331800000000 ] - [ -0.0000027300000000, -0.0010753500000000, -0.0007278600000000 ] - [ 0.0001920900000000, -0.0025286600000000, 0.0001256900000000 ] - [ -0.0000513100000000, -0.0027306100000000, 0.0000018800000000 ] - [ 0.0001923400000000, -0.0029332300000000, -0.0001242700000000 ] - [ 0.0000008800000000, 0.0042083300000000, -0.0013075300000000 ] - [ 0.0000044700000000, 0.0042125400000000, -0.0012945400000000 ] - [ 0.0000059800000000, 0.0042031600000000, -0.0013198300000000 ] - [ 0.0000058700000000, 0.0042061100000000, 0.0013081600000000 ] - [ -0.0000422900000000, 0.0042273400000000, 0.0013118600000000 ] - [ -0.0000408000000000, 0.0041863200000000, 0.0013022200000000 ] - [ -0.0000052800000000, -0.0010719300000000, 0.0007414700000000 ] - [ -0.0000279300000000, -0.0010740900000000, 0.0007331000000000 ] - [ -0.0000040400000000, -0.0010731600000000, 0.0007247200000000 ] - [ -0.0000027100000000, 0.0027326100000000, -0.0000016000000000 ] - [ -0.0000029900000000, 0.0027458800000000, -0.0000019300000000 ] - [ -0.0000026800000000, 0.0027189600000000, -0.0000015300000000 ] - [ -0.0000047300000000, -0.0042141100000000, 0.0012986700000000 ] - [ -0.0000058800000000, -0.0042082000000000, 0.0013062400000000 ] - [ -0.0000081100000000, -0.0042001900000000, 0.0013149100000000 ] - [ -0.0001421300000000, 0.0010404900000000, -0.0007591200000000 ] - [ -0.0002251900000000, 0.0007867200000000, -0.0007930200000000 ] - [ -0.0002245800000000, 0.0013616900000000, -0.0006739000000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002412800000000, -0.0010148700000000, -0.0001534400000000 ] - [ 0.0000000000000000, -0.0006692600000000, -0.0000944600000000 ] - [ -0.0002412800000000, -0.0010148700000000, -0.0001534400000000 ] - [ 0.0000000000000000, 0.0005479900000000, 0.0000046500000000 ] - [ 0.0000214400000000, 0.0005770700000000, 0.0000357800000000 ] - [ -0.0000214400000000, 0.0005770700000000, 0.0000357800000000 ] - [ 0.0000000000000000, -0.0002924800000000, -0.0000039600000000 ] - [ 0.0000597100000000, -0.0003743400000000, -0.0000464200000000 ] - [ -0.0000597100000000, -0.0003743400000000, -0.0000464200000000 ] - [ 0.0000269100000000, 0.0004519800000000, -0.0000213700000000 ] - [ 0.0000000000000000, 0.0004574400000000, 0.0000280100000000 ] - [ -0.0000269100000000, 0.0004519800000000, -0.0000213700000000 ] - [ 0.0000736200000000, 0.0022158300000000, 0.0005607400000000 ] - [ 0.0000000000000000, 0.0021840500000000, 0.0006569800000000 ] - [ -0.0000736200000000, 0.0022158300000000, 0.0005607400000000 ] - [ 0.0000000000000000, 0.0001440000000000, -0.0000372400000000 ] - [ -0.0001294500000000, -0.0009463900000000, 0.0005028900000000 ] - [ 0.0001294500000000, -0.0009463900000000, 0.0005028900000000 ] - [ 0.0000000000000000, -0.0022208200000000, -0.0007266200000000 ] - [ 0.0000600600000000, -0.0022122100000000, -0.0008528100000000 ] - [ -0.0000600600000000, -0.0022122100000000, -0.0008528100000000 ] - [ -0.0008849500000000, 0.0031613200000000, 0.0023989800000000 ] - [ 0.0000000000000000, 0.0022398800000000, -0.0001730200000000 ] - [ 0.0008849500000000, 0.0031613200000000, 0.0023989800000000 ] - [ 0.0000000000000000, 0.0022503900000000, 0.0006490700000000 ] - [ 0.0000246500000000, 0.0022463200000000, 0.0006404900000000 ] - [ -0.0000246500000000, 0.0022463200000000, 0.0006404900000000 ] - [ 0.0019599200000000, -0.0007130800000000, -0.0000027600000000 ] - [ 0.0000000000000000, -0.0023113800000000, 0.0005422800000000 ] - [ -0.0019599200000000, -0.0007130800000000, -0.0000027600000000 ] - [ 0.0002172500000000, -0.0023199100000000, 0.0000662500000000 ] - [ 0.0000000000000000, -0.0022449300000000, -0.0005425600000000 ] - [ -0.0002172500000000, -0.0023199100000000, 0.0000662500000000 ] - [ 0.0000000000000000, 0.0023599900000000, -0.0007445400000000 ] - [ 0.0001654200000000, 0.0024162100000000, -0.0007111800000000 ] - [ -0.0001654200000000, 0.0024162100000000, -0.0007111800000000 ] - [ 0.0000000000000000, -0.0339311800000000, 0.0052193300000000 ] - [ -0.0003970300000000, -0.0027263100000000, 0.0011529500000000 ] - [ 0.0003970300000000, -0.0027263100000000, 0.0011529500000000 ] - [ 0.0000000000000000, -0.0035454300000000, -0.0006373600000000 ] - [ 0.0000245100000000, -0.0028856800000000, 0.0000435400000000 ] - [ -0.0000245100000000, -0.0028856800000000, 0.0000435400000000 ] - [ 0.0000745600000000, 0.0021921600000000, -0.0010049800000000 ] - [ 0.0000000000000000, 0.0023458000000000, -0.0010219600000000 ] - [ -0.0000745600000000, 0.0021921600000000, -0.0010049800000000 ] - [ 0.0000023700000000, 0.0022439000000000, 0.0009567000000000 ] - [ 0.0000000000000000, 0.0022411600000000, 0.0009329600000000 ] - [ -0.0000023700000000, 0.0022439000000000, 0.0009567000000000 ] - [ 0.0000153800000000, 0.0029799700000000, 0.0000148600000000 ] - [ 0.0000000000000000, 0.0030059800000000, 0.0000203900000000 ] - [ -0.0000153800000000, 0.0029799700000000, 0.0000148600000000 ] - [ 0.0000000000000000, -0.0022968600000000, -0.0008903200000000 ] - [ 0.0000069800000000, -0.0022571100000000, -0.0009413500000000 ] - [ -0.0000069800000000, -0.0022571100000000, -0.0009413500000000 ] - [ 0.0000680900000000, -0.0021364600000000, 0.0010275300000000 ] - [ 0.0000000000000000, -0.0020084300000000, 0.0009950300000000 ] - [ -0.0000680900000000, -0.0021364600000000, 0.0010275300000000 ] - [ -0.0000086700000000, -0.0028921100000000, 0.0000019700000000 ] - [ 0.0000000000000000, -0.0028655000000000, 0.0000333600000000 ] - [ 0.0000086700000000, -0.0028921100000000, 0.0000019700000000 ] - [ 0.0000000000000000, 0.0104695900000000, -0.0062196500000000 ] - [ 0.0000477700000000, 0.0021275200000000, -0.0009828200000000 ] - [ -0.0000477700000000, 0.0021275200000000, -0.0009828200000000 ] - [ 0.0000000000000000, 0.0021698500000000, 0.0010615700000000 ] - [ -0.0000048800000000, 0.0021996100000000, 0.0009921700000000 ] - [ 0.0000048800000000, 0.0021996100000000, 0.0009921700000000 ] - [ 0.0000000000000000, 0.0035935500000000, 0.0021519500000000 ] - [ 0.0000661800000000, 0.0027873900000000, -0.0000545600000000 ] - [ -0.0000661800000000, 0.0027873900000000, -0.0000545600000000 ] - [ 0.0000074400000000, -0.0021747700000000, -0.0009958400000000 ] - [ 0.0000000000000000, -0.0021178500000000, -0.0009992100000000 ] - [ -0.0000074400000000, -0.0021747700000000, -0.0009958400000000 ] - [ -0.0000175500000000, 0.0010077600000000, 0.0007909200000000 ] - [ 0.0000000000000000, 0.0009506100000000, 0.0008796600000000 ] - [ 0.0000175500000000, 0.0010077600000000, 0.0007909200000000 ] - [ 0.0000000000000000, -0.0030095000000000, -0.0006836200000000 ] - [ 0.0001452300000000, -0.0044737900000000, -0.0015253900000000 ] - [ -0.0001452300000000, -0.0044737900000000, -0.0015253900000000 ] - [ 0.0000000000000000, -0.0009676500000000, -0.0009490500000000 ] - [ -0.0000091900000000, -0.0010342600000000, -0.0007884800000000 ] - [ 0.0000091900000000, -0.0010342600000000, -0.0007884800000000 ] - [ 0.0000000000000000, -0.0028991400000000, 0.0001294600000000 ] - [ 0.0000745000000000, -0.0029647100000000, 0.0004565600000000 ] - [ -0.0000745000000000, -0.0029647100000000, 0.0004565600000000 ] - [ -0.0000351000000000, 0.0042555300000000, -0.0013163300000000 ] - [ 0.0000000000000000, 0.0042493100000000, -0.0012934500000000 ] - [ 0.0000351000000000, 0.0042555300000000, -0.0013163300000000 ] - [ -0.0087587100000000, 0.0083076900000000, -0.0029795700000000 ] - [ 0.0000000000000000, 0.0041719100000000, 0.0011553400000000 ] - [ 0.0087587100000000, 0.0083076900000000, -0.0029795700000000 ] - [ 0.0000000000000000, -0.0013652300000000, -0.0037977100000000 ] - [ 0.0000225300000000, -0.0010220500000000, 0.0005681800000000 ] - [ -0.0000225300000000, -0.0010220500000000, 0.0005681800000000 ] - [ -0.0001456500000000, 0.0029399300000000, -0.0001448700000000 ] - [ 0.0000000000000000, 0.0027245400000000, -0.0001706100000000 ] - [ 0.0001456500000000, 0.0029399300000000, -0.0001448700000000 ] - [ 0.0000000000000000, -0.0041881600000000, 0.0013559600000000 ] - [ -0.0000255500000000, -0.0041940200000000, 0.0013726200000000 ] - [ 0.0000255500000000, -0.0041940200000000, 0.0013726200000000 ] - [ -0.0003700900000000, 0.0007701800000000, -0.0007610800000000 ] - [ 0.0000000000000000, 0.0003234100000000, -0.0006170000000000 ] - [ 0.0003700900000000, 0.0007701800000000, -0.0007610800000000 ] - [ 0.0000000000000000, 0.0012315800000000, 0.0005755300000000 ] - [ -0.0000378900000000, 0.0011574700000000, 0.0006861500000000 ] - [ 0.0000378900000000, 0.0011574700000000, 0.0006861500000000 ] - [ -0.0002027100000000, -0.0041753400000000, -0.0010841800000000 ] - [ 0.0000000000000000, -0.0041991400000000, -0.0012668600000000 ] - [ 0.0002027100000000, -0.0041753400000000, -0.0010841800000000 ] - [ -0.0000146000000000, -0.0011198900000000, -0.0007387100000000 ] - [ 0.0000000000000000, -0.0011444700000000, -0.0007425700000000 ] - [ 0.0000146000000000, -0.0011198900000000, -0.0007387100000000 ] - [ -0.0005584100000000, -0.0033586600000000, -0.0007571200000000 ] - [ 0.0000000000000000, -0.0026269000000000, 0.0000472700000000 ] - [ 0.0005584100000000, -0.0033586600000000, -0.0007571200000000 ] - [ 0.0000000000000000, 0.0041227000000000, -0.0013729000000000 ] - [ -0.0000977100000000, 0.0041204100000000, -0.0013805500000000 ] - [ 0.0000977100000000, 0.0041204100000000, -0.0013805500000000 ] - [ 0.0000000000000000, 0.0038400800000000, 0.0015023400000000 ] - [ -0.0003008900000000, 0.0039334900000000, 0.0013524600000000 ] - [ 0.0003008900000000, 0.0039334900000000, 0.0013524600000000 ] - [ -0.0000519700000000, -0.0011473600000000, 0.0007968600000000 ] - [ 0.0000000000000000, -0.0013664100000000, 0.0007774900000000 ] - [ 0.0000519700000000, -0.0011473600000000, 0.0007968600000000 ] - [ 0.0000000000000000, 0.0027191800000000, 0.0000313400000000 ] - [ -0.0000440400000000, 0.0026926400000000, 0.0000276600000000 ] - [ 0.0000440400000000, 0.0026926400000000, 0.0000276600000000 ] - [ -0.0000174100000000, -0.0041933100000000, 0.0011852200000000 ] - [ 0.0000000000000000, -0.0041808300000000, 0.0012652100000000 ] - [ 0.0000174100000000, -0.0041933100000000, 0.0011852200000000 ] - [ 0.0000000000000000, 0.0106131600000000, 0.0074903900000000 ] - [ -0.0002470200000000, 0.0012999400000000, -0.0006481000000000 ] - [ 0.0002470200000000, 0.0012999400000000, -0.0006481000000000 ]- atom: 37 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002411700000000, -0.0000225700000000, 0.0001607600000000 ] - [ 0.0000000000000000, -0.0003697400000000, 0.0000978600000000 ] - [ 0.0002411700000000, -0.0000225700000000, 0.0001607600000000 ] - [ 0.0000000000000000, 0.0004956900000000, -0.0000104800000000 ] - [ -0.0000213500000000, 0.0004667000000000, -0.0000407200000000 ] - [ 0.0000213500000000, 0.0004667000000000, -0.0000407200000000 ] - [ 0.0000000000000000, -0.0007480100000000, 0.0000061400000000 ] - [ -0.0000608500000000, -0.0006655100000000, 0.0000477700000000 ] - [ 0.0000608500000000, -0.0006655100000000, 0.0000477700000000 ] - [ -0.0000253800000000, 0.0005945300000000, 0.0000139000000000 ] - [ 0.0000000000000000, 0.0005877800000000, -0.0000350600000000 ] - [ 0.0000253800000000, 0.0005945300000000, 0.0000139000000000 ] - [ -0.0000735300000000, 0.0022217000000000, 0.0006051900000000 ] - [ 0.0000000000000000, 0.0022538000000000, 0.0005125800000000 ] - [ 0.0000735300000000, 0.0022217000000000, 0.0006051900000000 ] - [ 0.0000000000000000, -0.0047141900000000, 0.0012655600000000 ] - [ 0.0001297100000000, -0.0034896300000000, 0.0006706000000000 ] - [ -0.0001297100000000, -0.0034896300000000, 0.0006706000000000 ] - [ 0.0000000000000000, -0.0022101000000000, -0.0004466700000000 ] - [ -0.0000614300000000, -0.0022185200000000, -0.0003189600000000 ] - [ 0.0000614300000000, -0.0022185200000000, -0.0003189600000000 ] - [ 0.0009495600000000, 0.0012420900000000, -0.0036246700000000 ] - [ 0.0000000000000000, 0.0021974800000000, -0.0010013700000000 ] - [ -0.0009495600000000, 0.0012420900000000, -0.0036246700000000 ] - [ 0.0000000000000000, 0.0021865100000000, 0.0005216800000000 ] - [ -0.0000250900000000, 0.0021902200000000, 0.0005312400000000 ] - [ 0.0000250900000000, 0.0021902200000000, 0.0005312400000000 ] - [ -0.0019728600000000, -0.0037227400000000, 0.0011784800000000 ] - [ 0.0000000000000000, -0.0021181800000000, 0.0006286600000000 ] - [ 0.0019728600000000, -0.0037227400000000, 0.0011784800000000 ] - [ -0.0002180400000000, -0.0021110000000000, -0.0012427500000000 ] - [ 0.0000000000000000, -0.0021869800000000, -0.0006304200000000 ] - [ 0.0002180400000000, -0.0021110000000000, -0.0012427500000000 ] - [ 0.0000000000000000, 0.0020693700000000, -0.0004240800000000 ] - [ -0.0001680200000000, 0.0020185600000000, -0.0004617500000000 ] - [ 0.0001680200000000, 0.0020185600000000, -0.0004617500000000 ] - [ 0.0000000000000000, 0.0284438400000000, -0.0036226500000000 ] - [ 0.0003944600000000, -0.0017105700000000, 0.0007951700000000 ] - [ -0.0003944600000000, -0.0017105700000000, 0.0007951700000000 ] - [ 0.0000000000000000, -0.0022449600000000, 0.0006374600000000 ] - [ -0.0000246600000000, -0.0029147600000000, -0.0000456700000000 ] - [ 0.0000246600000000, -0.0029147600000000, -0.0000456700000000 ] - [ -0.0000744700000000, 0.0022564500000000, -0.0009455100000000 ] - [ 0.0000000000000000, 0.0020984500000000, -0.0009304600000000 ] - [ 0.0000744700000000, 0.0022564500000000, -0.0009455100000000 ] - [ -0.0000018200000000, 0.0022023800000000, 0.0009929500000000 ] - [ 0.0000000000000000, 0.0022070700000000, 0.0010144400000000 ] - [ 0.0000018200000000, 0.0022023800000000, 0.0009929500000000 ] - [ -0.0000162900000000, 0.0028182200000000, -0.0000156700000000 ] - [ 0.0000000000000000, 0.0027990400000000, -0.0000232300000000 ] - [ 0.0000162900000000, 0.0028182200000000, -0.0000156700000000 ] - [ 0.0000000000000000, -0.0021411500000000, -0.0010586200000000 ] - [ -0.0000067700000000, -0.0021800400000000, -0.0010080400000000 ] - [ 0.0000067700000000, -0.0021800400000000, -0.0010080400000000 ] - [ -0.0000691400000000, -0.0023019000000000, 0.0009220200000000 ] - [ 0.0000000000000000, -0.0024295900000000, 0.0009549800000000 ] - [ 0.0000691400000000, -0.0023019000000000, 0.0009220200000000 ] - [ 0.0000082400000000, -0.0029089300000000, -0.0000039700000000 ] - [ 0.0000000000000000, -0.0029330000000000, -0.0000338900000000 ] - [ -0.0000082400000000, -0.0029089300000000, -0.0000039700000000 ] - [ 0.0000000000000000, -0.0055133600000000, 0.0039965500000000 ] - [ -0.0000488600000000, 0.0023204100000000, -0.0009683900000000 ] - [ 0.0000488600000000, 0.0023204100000000, -0.0009683900000000 ] - [ 0.0000000000000000, 0.0022739400000000, 0.0008844400000000 ] - [ 0.0000077100000000, 0.0022434800000000, 0.0009557200000000 ] - [ -0.0000077100000000, 0.0022434800000000, 0.0009557200000000 ] - [ 0.0000000000000000, 0.0021881300000000, -0.0021605200000000 ] - [ -0.0000659600000000, 0.0030191400000000, 0.0000550100000000 ] - [ 0.0000659600000000, 0.0030191400000000, 0.0000550100000000 ] - [ -0.0000068400000000, -0.0022640900000000, -0.0009571100000000 ] - [ 0.0000000000000000, -0.0023210900000000, -0.0009490900000000 ] - [ 0.0000068400000000, -0.0022640900000000, -0.0009571100000000 ] - [ 0.0000173600000000, 0.0011533500000000, 0.0006769200000000 ] - [ 0.0000000000000000, 0.0012138200000000, 0.0005838700000000 ] - [ -0.0000173600000000, 0.0011533500000000, 0.0006769200000000 ] - [ 0.0000000000000000, -0.0054073600000000, -0.0019433200000000 ] - [ -0.0001505600000000, -0.0039232800000000, -0.0010865400000000 ] - [ 0.0001505600000000, -0.0039232800000000, -0.0010865400000000 ] - [ 0.0000000000000000, -0.0011885500000000, -0.0005180400000000 ] - [ 0.0000091800000000, -0.0011184700000000, -0.0006772600000000 ] - [ -0.0000091800000000, -0.0011184700000000, -0.0006772600000000 ] - [ 0.0000000000000000, -0.0025624500000000, -0.0001219000000000 ] - [ -0.0000749900000000, -0.0024948400000000, -0.0004555400000000 ] - [ 0.0000749900000000, -0.0024948400000000, -0.0004555400000000 ] - [ 0.0000334200000000, 0.0041500000000000, -0.0012938000000000 ] - [ 0.0000000000000000, 0.0041546800000000, -0.0013185300000000 ] - [ -0.0000334200000000, 0.0041500000000000, -0.0012938000000000 ] - [ 0.0090691000000000, -0.0000114200000000, 0.0056876100000000 ] - [ 0.0000000000000000, 0.0042360200000000, 0.0014539400000000 ] - [ -0.0090691000000000, -0.0000114200000000, 0.0056876100000000 ] - [ 0.0000000000000000, -0.0008711000000000, 0.0053492600000000 ] - [ -0.0000216900000000, -0.0011358100000000, 0.0008935300000000 ] - [ 0.0000216900000000, -0.0011358100000000, 0.0008935300000000 ] - [ 0.0001432600000000, 0.0025323000000000, 0.0001473000000000 ] - [ 0.0000000000000000, 0.0027436400000000, 0.0001665800000000 ] - [ -0.0001432600000000, 0.0025323000000000, 0.0001473000000000 ] - [ 0.0000000000000000, -0.0042129600000000, 0.0012536600000000 ] - [ 0.0000230700000000, -0.0042061300000000, 0.0012365700000000 ] - [ -0.0000230700000000, -0.0042061300000000, 0.0012365700000000 ] - [ 0.0003740500000000, 0.0013961900000000, -0.0007086100000000 ] - [ 0.0000000000000000, 0.0018322100000000, -0.0008505100000000 ] - [ -0.0003740500000000, 0.0013961900000000, -0.0007086100000000 ] - [ 0.0000000000000000, 0.0009256400000000, 0.0008937500000000 ] - [ 0.0000382500000000, 0.0010030000000000, 0.0007818100000000 ] - [ -0.0000382500000000, 0.0010030000000000, 0.0007818100000000 ] - [ 0.0002061200000000, -0.0042075000000000, -0.0015345800000000 ] - [ 0.0000000000000000, -0.0041990600000000, -0.0013458400000000 ] - [ -0.0002061200000000, -0.0042075000000000, -0.0015345800000000 ] - [ 0.0000142800000000, -0.0010304900000000, -0.0007281400000000 ] - [ 0.0000000000000000, -0.0010069300000000, -0.0007189400000000 ] - [ -0.0000142800000000, -0.0010304900000000, -0.0007281400000000 ] - [ 0.0005579900000000, -0.0021005800000000, 0.0007635700000000 ] - [ 0.0000000000000000, -0.0028340200000000, -0.0000439300000000 ] - [ -0.0005579900000000, -0.0021005800000000, 0.0007635700000000 ] - [ 0.0000000000000000, 0.0042834200000000, -0.0012401300000000 ] - [ 0.0000942100000000, 0.0042834800000000, -0.0012328600000000 ] - [ -0.0000942100000000, 0.0042834800000000, -0.0012328600000000 ] - [ 0.0000000000000000, 0.0045720200000000, 0.0011070400000000 ] - [ 0.0003005400000000, 0.0044727900000000, 0.0012577700000000 ] - [ -0.0003005400000000, 0.0044727900000000, 0.0012577700000000 ] - [ 0.0000521600000000, -0.0010017100000000, 0.0006681300000000 ] - [ 0.0000000000000000, -0.0007845100000000, 0.0006855600000000 ] - [ -0.0000521600000000, -0.0010017100000000, 0.0006681300000000 ] - [ 0.0000000000000000, 0.0027511600000000, -0.0000367700000000 ] - [ 0.0000439800000000, 0.0027771400000000, -0.0000329600000000 ] - [ -0.0000439800000000, 0.0027771400000000, -0.0000329600000000 ] - [ 0.0000178600000000, -0.0042077200000000, 0.0014247800000000 ] - [ 0.0000000000000000, -0.0042202200000000, 0.0013442200000000 ] - [ -0.0000178600000000, -0.0042077200000000, 0.0014247800000000 ] - [ 0.0000000000000000, -0.0078382000000000, -0.0084231000000000 ] - [ 0.0002487000000000, 0.0008571000000000, -0.0008186100000000 ] - [ -0.0002487000000000, 0.0008571000000000, -0.0008186100000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002753000000000, -0.0007050500000000, 0.0004857900000000 ] - [ 0.0000000000000000, -0.0005661700000000, 0.0000859800000000 ] - [ -0.0002753000000000, -0.0007050500000000, 0.0004857900000000 ] - [ 0.0000000000000000, 0.0006865000000000, -0.0000364300000000 ] - [ -0.0000328000000000, 0.0005771900000000, -0.0000635400000000 ] - [ 0.0000328000000000, 0.0005771900000000, -0.0000635400000000 ] - [ 0.0000000000000000, -0.0003970100000000, 0.0000321200000000 ] - [ -0.0000039600000000, -0.0004629600000000, 0.0000353900000000 ] - [ 0.0000039600000000, -0.0004629600000000, 0.0000353900000000 ] - [ -0.0002575400000000, 0.0002182000000000, 0.0002260800000000 ] - [ 0.0000000000000000, 0.0004865900000000, -0.0000148900000000 ] - [ 0.0002575400000000, 0.0002182000000000, 0.0002260800000000 ] - [ -0.0002661100000000, 0.0022700300000000, 0.0010051600000000 ] - [ 0.0000000000000000, 0.0022113800000000, 0.0006040000000000 ] - [ 0.0002661100000000, 0.0022700300000000, 0.0010051600000000 ] - [ 0.0000000000000000, -0.0022385800000000, 0.0005206300000000 ] - [ -0.0000516200000000, -0.0024714600000000, 0.0011643200000000 ] - [ 0.0000516200000000, -0.0024714600000000, 0.0011643200000000 ] - [ 0.0000000000000000, -0.0021742500000000, -0.0004877800000000 ] - [ -0.0000460100000000, -0.0021860500000000, -0.0004364800000000 ] - [ 0.0000460100000000, -0.0021860500000000, -0.0004364800000000 ] - [ -0.0035623800000000, 0.0051986000000000, -0.0015284100000000 ] - [ 0.0000000000000000, 0.0024076600000000, -0.0008483800000000 ] - [ 0.0035623800000000, 0.0051986000000000, -0.0015284100000000 ] - [ 0.0000000000000000, 0.0021849600000000, 0.0006440900000000 ] - [ -0.0000364100000000, 0.0022115700000000, 0.0006253000000000 ] - [ 0.0000364100000000, 0.0022115700000000, 0.0006253000000000 ] - [ 0.0015347700000000, -0.0013225600000000, -0.0000455300000000 ] - [ 0.0000000000000000, -0.0021163400000000, 0.0004876700000000 ] - [ -0.0015347700000000, -0.0013225600000000, -0.0000455300000000 ] - [ 0.0000242200000000, -0.0022726900000000, -0.0001632500000000 ] - [ 0.0000000000000000, -0.0022224800000000, -0.0004484800000000 ] - [ -0.0000242200000000, -0.0022726900000000, -0.0001632500000000 ] - [ 0.0000000000000000, 0.0020276300000000, -0.0008367600000000 ] - [ -0.0000706500000000, 0.0021518400000000, -0.0007275100000000 ] - [ 0.0000706500000000, 0.0021518400000000, -0.0007275100000000 ] - [ 0.0000000000000000, 0.0019097400000000, -0.0312897000000000 ] - [ 0.0002239400000000, -0.0020372700000000, 0.0009166100000000 ] - [ -0.0002239400000000, -0.0020372700000000, 0.0009166100000000 ] - [ 0.0000000000000000, -0.0005952600000000, 0.0015563500000000 ] - [ -0.0000687400000000, -0.0029802400000000, -0.0000017800000000 ] - [ 0.0000687400000000, -0.0029802400000000, -0.0000017800000000 ] - [ 0.0000100300000000, 0.0021907900000000, -0.0009109900000000 ] - [ 0.0000000000000000, 0.0021752600000000, -0.0010163100000000 ] - [ -0.0000100300000000, 0.0021907900000000, -0.0009109900000000 ] - [ -0.0000027400000000, 0.0022380400000000, 0.0009806400000000 ] - [ 0.0000000000000000, 0.0022621300000000, 0.0009887600000000 ] - [ 0.0000027400000000, 0.0022380400000000, 0.0009806400000000 ] - [ -0.0000039300000000, 0.0029027300000000, 0.0000088300000000 ] - [ 0.0000000000000000, 0.0029084000000000, 0.0000434100000000 ] - [ 0.0000039300000000, 0.0029027300000000, 0.0000088300000000 ] - [ 0.0000000000000000, -0.0023024600000000, -0.0005405700000000 ] - [ 0.0000026800000000, -0.0022511400000000, -0.0009361600000000 ] - [ -0.0000026800000000, -0.0022511400000000, -0.0009361600000000 ] - [ 0.0000737200000000, -0.0021666000000000, 0.0009397200000000 ] - [ 0.0000000000000000, -0.0022001100000000, 0.0008892000000000 ] - [ -0.0000737200000000, -0.0021666000000000, 0.0009397200000000 ] - [ -0.0000177100000000, -0.0029275100000000, -0.0000153400000000 ] - [ 0.0000000000000000, -0.0029361600000000, -0.0000225900000000 ] - [ 0.0000177100000000, -0.0029275100000000, -0.0000153400000000 ] - [ 0.0000000000000000, -0.0028465100000000, -0.0021705000000000 ] - [ -0.0000588200000000, 0.0022121800000000, -0.0010669500000000 ] - [ 0.0000588200000000, 0.0022121800000000, -0.0010669500000000 ] - [ 0.0000000000000000, 0.0021318900000000, 0.0011144400000000 ] - [ -0.0000089300000000, 0.0022013600000000, 0.0010216200000000 ] - [ 0.0000089300000000, 0.0022013600000000, 0.0010216200000000 ] - [ 0.0000000000000000, 0.0027443700000000, 0.0009293200000000 ] - [ 0.0000208700000000, 0.0028344400000000, 0.0000281700000000 ] - [ -0.0000208700000000, 0.0028344400000000, 0.0000281700000000 ] - [ 0.0000049500000000, -0.0021996800000000, -0.0009740600000000 ] - [ 0.0000000000000000, -0.0021937100000000, -0.0009592800000000 ] - [ -0.0000049500000000, -0.0021996800000000, -0.0009740600000000 ] - [ 0.0000072400000000, 0.0010355500000000, 0.0006825400000000 ] - [ 0.0000000000000000, 0.0010374200000000, 0.0005974500000000 ] - [ -0.0000072400000000, 0.0010355500000000, 0.0006825400000000 ] - [ 0.0000000000000000, -0.0035518100000000, -0.0009355200000000 ] - [ 0.0000203300000000, -0.0041954200000000, -0.0009810500000000 ] - [ -0.0000203300000000, -0.0041954200000000, -0.0009810500000000 ] - [ 0.0000000000000000, -0.0010942400000000, -0.0013243400000000 ] - [ 0.0000557200000000, -0.0010650800000000, -0.0008263400000000 ] - [ -0.0000557200000000, -0.0010650800000000, -0.0008263400000000 ] - [ 0.0000000000000000, -0.0026868600000000, 0.0000778900000000 ] - [ 0.0000567100000000, -0.0027481600000000, -0.0000805700000000 ] - [ -0.0000567100000000, -0.0027481600000000, -0.0000805700000000 ] - [ 0.0000632300000000, 0.0041804400000000, -0.0014820500000000 ] - [ 0.0000000000000000, 0.0042226800000000, -0.0013672400000000 ] - [ -0.0000632300000000, 0.0041804400000000, -0.0014820500000000 ] - [ 0.0058987400000000, 0.0011463400000000, 0.0033271100000000 ] - [ 0.0000000000000000, 0.0042120200000000, 0.0013873700000000 ] - [ -0.0058987400000000, 0.0011463400000000, 0.0033271100000000 ] - [ 0.0000000000000000, -0.0072251100000000, 0.0225841200000000 ] - [ 0.0002180700000000, -0.0011663300000000, 0.0009613200000000 ] - [ -0.0002180700000000, -0.0011663300000000, 0.0009613200000000 ] - [ 0.0002393900000000, 0.0021693000000000, -0.0003082300000000 ] - [ 0.0000000000000000, 0.0027893700000000, 0.0000813700000000 ] - [ -0.0002393900000000, 0.0021693000000000, -0.0003082300000000 ] - [ 0.0000000000000000, -0.0042764800000000, 0.0012287600000000 ] - [ 0.0000984200000000, -0.0042811200000000, 0.0012084400000000 ] - [ -0.0000984200000000, -0.0042811200000000, 0.0012084400000000 ] - [ 0.0002303500000000, 0.0009723200000000, -0.0006589100000000 ] - [ 0.0000000000000000, 0.0013290500000000, -0.0008086000000000 ] - [ -0.0002303500000000, 0.0009723200000000, -0.0006589100000000 ] - [ 0.0000000000000000, 0.0012560000000000, 0.0004265700000000 ] - [ -0.0000100900000000, 0.0011111400000000, 0.0006286600000000 ] - [ 0.0000100900000000, 0.0011111400000000, 0.0006286600000000 ] - [ 0.0000251700000000, -0.0041695300000000, -0.0009034100000000 ] - [ 0.0000000000000000, -0.0042025400000000, -0.0012024700000000 ] - [ -0.0000251700000000, -0.0041695300000000, -0.0009034100000000 ] - [ 0.0000064500000000, -0.0010944000000000, -0.0007712000000000 ] - [ 0.0000000000000000, -0.0010839900000000, -0.0008163400000000 ] - [ -0.0000064500000000, -0.0010944000000000, -0.0007712000000000 ] - [ -0.0002224100000000, -0.0029398500000000, -0.0004364500000000 ] - [ 0.0000000000000000, -0.0027113100000000, -0.0000889000000000 ] - [ 0.0002224100000000, -0.0029398500000000, -0.0004364500000000 ] - [ 0.0000000000000000, 0.0041725300000000, -0.0013770200000000 ] - [ -0.0000137800000000, 0.0041805500000000, -0.0013863800000000 ] - [ 0.0000137800000000, 0.0041805500000000, -0.0013863800000000 ] - [ 0.0000000000000000, 0.0037538600000000, 0.0016195500000000 ] - [ -0.0001413000000000, 0.0040597900000000, 0.0014414800000000 ] - [ 0.0001413000000000, 0.0040597900000000, 0.0014414800000000 ] - [ 0.0000042900000000, -0.0010637100000000, 0.0008104300000000 ] - [ 0.0000000000000000, -0.0010250800000000, 0.0008532000000000 ] - [ -0.0000042900000000, -0.0010637100000000, 0.0008104300000000 ] - [ 0.0000000000000000, 0.0028386000000000, 0.0000454500000000 ] - [ 0.0000570800000000, 0.0028342900000000, 0.0000536000000000 ] - [ -0.0000570800000000, 0.0028342900000000, 0.0000536000000000 ] - [ 0.0000150200000000, -0.0041586700000000, 0.0011497300000000 ] - [ 0.0000000000000000, -0.0042011400000000, 0.0012458000000000 ] - [ -0.0000150200000000, -0.0041586700000000, 0.0011497300000000 ] - [ 0.0000000000000000, 0.0069327700000000, 0.0039347900000000 ] - [ -0.0002504400000000, 0.0010522000000000, -0.0006894300000000 ] - [ 0.0002504400000000, 0.0010522000000000, -0.0006894300000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0002656600000000, -0.0003359400000000, -0.0004657500000000 ] - [ 0.0000000000000000, -0.0004770700000000, -0.0000844700000000 ] - [ 0.0002656600000000, -0.0003359400000000, -0.0004657500000000 ] - [ 0.0000000000000000, 0.0003603600000000, 0.0000265400000000 ] - [ 0.0000318500000000, 0.0004692400000000, 0.0000548200000000 ] - [ -0.0000318500000000, 0.0004692400000000, 0.0000548200000000 ] - [ 0.0000000000000000, -0.0006464900000000, -0.0000314100000000 ] - [ 0.0000039500000000, -0.0005804100000000, -0.0000355300000000 ] - [ -0.0000039500000000, -0.0005804100000000, -0.0000355300000000 ] - [ 0.0002557100000000, 0.0008256300000000, -0.0002346300000000 ] - [ 0.0000000000000000, 0.0005600400000000, 0.0000057400000000 ] - [ -0.0002557100000000, 0.0008256300000000, -0.0002346300000000 ] - [ 0.0002646200000000, 0.0021660100000000, 0.0001686900000000 ] - [ 0.0000000000000000, 0.0022274500000000, 0.0005647800000000 ] - [ -0.0002646200000000, 0.0021660100000000, 0.0001686900000000 ] - [ 0.0000000000000000, -0.0022223300000000, 0.0006556300000000 ] - [ 0.0000578600000000, -0.0019667100000000, 0.0000145600000000 ] - [ -0.0000578600000000, -0.0019667100000000, 0.0000145600000000 ] - [ 0.0000000000000000, -0.0022603800000000, -0.0006879300000000 ] - [ 0.0000454800000000, -0.0022478800000000, -0.0007399700000000 ] - [ -0.0000454800000000, -0.0022478800000000, -0.0007399700000000 ] - [ 0.0036225200000000, -0.0008097600000000, 0.0002714700000000 ] - [ 0.0000000000000000, 0.0020328400000000, -0.0003343000000000 ] - [ -0.0036225200000000, -0.0008097600000000, 0.0002714700000000 ] - [ 0.0000000000000000, 0.0022523400000000, 0.0005253300000000 ] - [ 0.0000359000000000, 0.0022254500000000, 0.0005437200000000 ] - [ -0.0000359000000000, 0.0022254500000000, 0.0005437200000000 ] - [ -0.0015260600000000, -0.0031083400000000, 0.0012190000000000 ] - [ 0.0000000000000000, -0.0023159800000000, 0.0006828000000000 ] - [ 0.0015260600000000, -0.0031083400000000, 0.0012190000000000 ] - [ -0.0000246700000000, -0.0021613800000000, -0.0010171000000000 ] - [ 0.0000000000000000, -0.0022125900000000, -0.0007280500000000 ] - [ 0.0000246700000000, -0.0021613800000000, -0.0010171000000000 ] - [ 0.0000000000000000, 0.0024089200000000, -0.0003458400000000 ] - [ 0.0000706400000000, 0.0022851300000000, -0.0004511700000000 ] - [ -0.0000706400000000, 0.0022851300000000, -0.0004511700000000 ] - [ 0.0000000000000000, -0.0069524200000000, 0.0353664700000000 ] - [ -0.0002238400000000, -0.0023920600000000, 0.0010340700000000 ] - [ 0.0002238400000000, -0.0023920600000000, 0.0010340700000000 ] - [ 0.0000000000000000, -0.0051723200000000, -0.0015312500000000 ] - [ 0.0000669000000000, -0.0028204500000000, -0.0000041600000000 ] - [ -0.0000669000000000, -0.0028204500000000, -0.0000041600000000 ] - [ -0.0000104500000000, 0.0022426900000000, -0.0010479800000000 ] - [ 0.0000000000000000, 0.0022597800000000, -0.0009425400000000 ] - [ 0.0000104500000000, 0.0022426900000000, -0.0010479800000000 ] - [ 0.0000032700000000, 0.0021978800000000, 0.0009687400000000 ] - [ 0.0000000000000000, 0.0021730000000000, 0.0009604900000000 ] - [ -0.0000032700000000, 0.0021978800000000, 0.0009687400000000 ] - [ 0.0000029900000000, 0.0028971400000000, -0.0000122900000000 ] - [ 0.0000000000000000, 0.0028944400000000, -0.0000487200000000 ] - [ -0.0000029900000000, 0.0028971400000000, -0.0000122900000000 ] - [ 0.0000000000000000, -0.0021296800000000, -0.0014224600000000 ] - [ -0.0000025300000000, -0.0021822100000000, -0.0010215600000000 ] - [ 0.0000025300000000, -0.0021822100000000, -0.0010215600000000 ] - [ -0.0000731500000000, -0.0022652300000000, 0.0010110500000000 ] - [ 0.0000000000000000, -0.0022354200000000, 0.0010613000000000 ] - [ 0.0000731500000000, -0.0022652300000000, 0.0010110500000000 ] - [ 0.0000169700000000, -0.0028734100000000, 0.0000098000000000 ] - [ 0.0000000000000000, -0.0028662100000000, 0.0000183800000000 ] - [ -0.0000169700000000, -0.0028734100000000, 0.0000098000000000 ] - [ 0.0000000000000000, 0.0073615700000000, 0.0002278600000000 ] - [ 0.0000572600000000, 0.0022214500000000, -0.0008910200000000 ] - [ -0.0000572600000000, 0.0022214500000000, -0.0008910200000000 ] - [ 0.0000000000000000, 0.0023039700000000, 0.0008360800000000 ] - [ 0.0000112100000000, 0.0022308700000000, 0.0009282500000000 ] - [ -0.0000112100000000, 0.0022308700000000, 0.0009282500000000 ] - [ 0.0000000000000000, 0.0030341300000000, -0.0009444600000000 ] - [ -0.0000204400000000, 0.0029661500000000, -0.0000308100000000 ] - [ 0.0000204400000000, 0.0029661500000000, -0.0000308100000000 ] - [ -0.0000046600000000, -0.0022326100000000, -0.0009840800000000 ] - [ 0.0000000000000000, -0.0022399600000000, -0.0009988800000000 ] - [ 0.0000046600000000, -0.0022326100000000, -0.0009840800000000 ] - [ -0.0000069400000000, 0.0011121400000000, 0.0007855900000000 ] - [ 0.0000000000000000, 0.0011125400000000, 0.0008641800000000 ] - [ 0.0000069400000000, 0.0011121400000000, 0.0007855900000000 ] - [ 0.0000000000000000, -0.0048630100000000, -0.0016710600000000 ] - [ -0.0000254600000000, -0.0042126900000000, -0.0016306100000000 ] - [ 0.0000254600000000, -0.0042126900000000, -0.0016306100000000 ] - [ 0.0000000000000000, -0.0010543100000000, -0.0001493300000000 ] - [ -0.0000550200000000, -0.0010815600000000, -0.0006495300000000 ] - [ 0.0000550200000000, -0.0010815600000000, -0.0006495300000000 ] - [ 0.0000000000000000, -0.0027827700000000, -0.0000734900000000 ] - [ -0.0000536100000000, -0.0027183000000000, 0.0000793600000000 ] - [ 0.0000536100000000, -0.0027183000000000, 0.0000793600000000 ] - [ -0.0000601400000000, 0.0042356500000000, -0.0011375400000000 ] - [ 0.0000000000000000, 0.0041954900000000, -0.0012514100000000 ] - [ 0.0000601400000000, 0.0042356500000000, -0.0011375400000000 ] - [ -0.0058778200000000, 0.0072453500000000, -0.0007532000000000 ] - [ 0.0000000000000000, 0.0042064700000000, 0.0012213700000000 ] - [ 0.0058778200000000, 0.0072453500000000, -0.0007532000000000 ] - [ 0.0000000000000000, 0.0053202300000000, -0.0227096100000000 ] - [ -0.0002162100000000, -0.0009818500000000, 0.0005070800000000 ] - [ 0.0002162100000000, -0.0009818500000000, 0.0005070800000000 ] - [ -0.0002360300000000, 0.0032976900000000, 0.0002994500000000 ] - [ 0.0000000000000000, 0.0026821600000000, -0.0000875600000000 ] - [ 0.0002360300000000, 0.0032976900000000, 0.0002994500000000 ] - [ 0.0000000000000000, -0.0041419400000000, 0.0013799000000000 ] - [ -0.0001016300000000, -0.0041337400000000, 0.0013996400000000 ] - [ 0.0001016300000000, -0.0041337400000000, 0.0013996400000000 ] - [ -0.0002309400000000, 0.0011783700000000, -0.0008173200000000 ] - [ 0.0000000000000000, 0.0008156800000000, -0.0006646900000000 ] - [ 0.0002309400000000, 0.0011783700000000, -0.0008173200000000 ] - [ 0.0000000000000000, 0.0008929900000000, 0.0010334300000000 ] - [ 0.0000104300000000, 0.0010369800000000, 0.0008373000000000 ] - [ -0.0000104300000000, 0.0010369800000000, 0.0008373000000000 ] - [ -0.0000254400000000, -0.0042383000000000, -0.0017145600000000 ] - [ 0.0000000000000000, -0.0042101400000000, -0.0014156200000000 ] - [ 0.0000254400000000, -0.0042383000000000, -0.0017145600000000 ] - [ -0.0000063400000000, -0.0010505100000000, -0.0007035800000000 ] - [ 0.0000000000000000, -0.0010630300000000, -0.0006566200000000 ] - [ 0.0000063400000000, -0.0010505100000000, -0.0007035800000000 ] - [ 0.0002248500000000, -0.0025236000000000, 0.0004382700000000 ] - [ 0.0000000000000000, -0.0027557800000000, 0.0000874900000000 ] - [ -0.0002248500000000, -0.0025236000000000, 0.0004382700000000 ] - [ 0.0000000000000000, 0.0042450100000000, -0.0012414200000000 ] - [ 0.0000136300000000, 0.0042363000000000, -0.0012315200000000 ] - [ -0.0000136300000000, 0.0042363000000000, -0.0012315200000000 ] - [ 0.0000000000000000, 0.0046577200000000, 0.0009935300000000 ] - [ 0.0001440900000000, 0.0043569800000000, 0.0011678400000000 ] - [ -0.0001440900000000, 0.0043569800000000, 0.0011678400000000 ] - [ -0.0000058000000000, -0.0010831100000000, 0.0006550100000000 ] - [ 0.0000000000000000, -0.0011207900000000, 0.0006163400000000 ] - [ 0.0000058000000000, -0.0010831100000000, 0.0006550100000000 ] - [ 0.0000000000000000, 0.0026343000000000, -0.0000523000000000 ] - [ -0.0000568000000000, 0.0026376300000000, -0.0000600500000000 ] - [ 0.0000568000000000, 0.0026376300000000, -0.0000600500000000 ] - [ -0.0000148800000000, -0.0042552400000000, 0.0014599200000000 ] - [ 0.0000000000000000, -0.0042126800000000, 0.0013636900000000 ] - [ 0.0000148800000000, -0.0042552400000000, 0.0014599200000000 ] - [ 0.0000000000000000, -0.0045045500000000, -0.0052873700000000 ] - [ 0.0002491500000000, 0.0010947800000000, -0.0007849500000000 ] - [ -0.0002491500000000, 0.0010947800000000, -0.0007849500000000 ]- atom: 40 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000055800000000, -0.0005305200000000, 0.0000000000000000 ] - [ 0.0000122000000000, -0.0005191000000000, 0.0000000000000000 ] - [ -0.0000069300000000, -0.0005098500000000, 0.0000000000000000 ] - [ -0.0006033600000000, 0.0005192500000000, 0.0000000000000000 ] - [ 0.0000629700000000, 0.0003588600000000, 0.0000000000000000 ] - [ 0.0000631100000000, 0.0006921800000000, 0.0000000000000000 ] - [ -0.0000048500000000, -0.0005185800000000, 0.0000000000000000 ] - [ -0.0000033100000000, -0.0005179100000000, 0.0000000000000000 ] - [ -0.0000015100000000, -0.0005217900000000, 0.0000000000000000 ] - [ 0.0006444200000000, 0.0020704200000000, 0.0000000000000000 ] - [ 0.0000409400000000, 0.0005202800000000, 0.0000000000000000 ] - [ 0.0006316100000000, -0.0010013000000000, 0.0000000000000000 ] - [ -0.0003038200000000, 0.0029723200000000, -0.0018229800000000 ] - [ 0.0002915800000000, 0.0022165300000000, 0.0005893500000000 ] - [ -0.0003589500000000, 0.0014346900000000, 0.0029658500000000 ] - [ 0.0000374400000000, -0.0022171500000000, 0.0005855600000000 ] - [ -0.0001215100000000, -0.0021123100000000, 0.0006313800000000 ] - [ -0.0001235700000000, -0.0023223500000000, 0.0005361600000000 ] - [ 0.0000374400000000, -0.0022171500000000, -0.0005855600000000 ] - [ -0.0001215100000000, -0.0021123100000000, -0.0006313800000000 ] - [ -0.0001235700000000, -0.0023223500000000, -0.0005361600000000 ] - [ -0.0003038200000000, 0.0029723200000000, 0.0018229800000000 ] - [ 0.0002915800000000, 0.0022165300000000, -0.0005893500000000 ] - [ -0.0003589500000000, 0.0014346900000000, -0.0029658500000000 ] - [ -0.0000494700000000, 0.0022194900000000, 0.0005854500000000 ] - [ 0.0000279900000000, 0.0022062600000000, 0.0005589100000000 ] - [ 0.0000256600000000, 0.0022321400000000, 0.0006111200000000 ] - [ -0.0000103800000000, -0.0021916300000000, 0.0005838500000000 ] - [ 0.0000416500000000, -0.0022161100000000, 0.0005853400000000 ] - [ -0.0000131000000000, -0.0022393000000000, 0.0005862500000000 ] - [ -0.0000103800000000, -0.0021916300000000, -0.0005838500000000 ] - [ 0.0000416500000000, -0.0022161100000000, -0.0005853400000000 ] - [ -0.0000131000000000, -0.0022393000000000, -0.0005862500000000 ] - [ -0.0000494700000000, 0.0022194900000000, -0.0005854500000000 ] - [ 0.0000279900000000, 0.0022062600000000, -0.0005589100000000 ] - [ 0.0000256600000000, 0.0022321400000000, -0.0006111200000000 ] - [ 0.0005478900000000, -0.0022225000000000, 0.0009749900000000 ] - [ -0.0000516600000000, -0.0022469600000000, 0.0010405700000000 ] - [ -0.0000520900000000, -0.0021965300000000, 0.0009043800000000 ] - [ -0.0671887900000000, -0.0019204200000000, 0.0000000000000000 ] - [ 0.0012997100000000, -0.0024091000000000, 0.0000000000000000 ] - [ 0.0012882200000000, -0.0034099900000000, 0.0000000000000000 ] - [ -0.0000362400000000, 0.0022401000000000, -0.0009759600000000 ] - [ 0.0001390900000000, 0.0022248600000000, -0.0009718500000000 ] - [ -0.0000386300000000, 0.0022104100000000, -0.0009683500000000 ] - [ -0.0000362400000000, 0.0022401000000000, 0.0009759600000000 ] - [ 0.0001390900000000, 0.0022248600000000, 0.0009718500000000 ] - [ -0.0000386300000000, 0.0022104100000000, 0.0009683500000000 ] - [ 0.0000080600000000, 0.0029049500000000, 0.0000000000000000 ] - [ -0.0000037500000000, 0.0029048100000000, 0.0000000000000000 ] - [ 0.0000088300000000, 0.0028981800000000, 0.0000000000000000 ] - [ 0.0005478900000000, -0.0022225000000000, -0.0009749900000000 ] - [ -0.0000516600000000, -0.0022469600000000, -0.0010405700000000 ] - [ -0.0000520900000000, -0.0021965300000000, -0.0009043800000000 ] - [ 0.0000035100000000, -0.0022124100000000, 0.0009896700000000 ] - [ -0.0000039400000000, -0.0022219900000000, 0.0009716900000000 ] - [ 0.0000028400000000, -0.0022327500000000, 0.0009562200000000 ] - [ -0.0000021100000000, -0.0029086100000000, 0.0000000000000000 ] - [ 0.0000095200000000, -0.0029039000000000, 0.0000000000000000 ] - [ -0.0000020800000000, -0.0028950000000000, 0.0000000000000000 ] - [ 0.0001690800000000, 0.0022251700000000, -0.0009712400000000 ] - [ -0.0000228200000000, 0.0022887800000000, -0.0009510600000000 ] - [ -0.0000230100000000, 0.0021570300000000, -0.0009934300000000 ] - [ 0.0001690800000000, 0.0022251700000000, 0.0009712400000000 ] - [ -0.0000228200000000, 0.0022887800000000, 0.0009510600000000 ] - [ -0.0000230100000000, 0.0021570300000000, 0.0009934300000000 ] - [ -0.0000103700000000, 0.0029016400000000, 0.0000000000000000 ] - [ 0.0000046200000000, 0.0029285200000000, 0.0000000000000000 ] - [ 0.0000039900000000, 0.0028787800000000, 0.0000000000000000 ] - [ 0.0000035100000000, -0.0022124100000000, -0.0009896700000000 ] - [ -0.0000039400000000, -0.0022219900000000, -0.0009716900000000 ] - [ 0.0000028400000000, -0.0022327500000000, -0.0009562200000000 ] - [ 0.0000148100000000, 0.0010517700000000, 0.0007281100000000 ] - [ 0.0000114900000000, 0.0010837700000000, 0.0007370500000000 ] - [ 0.0000157600000000, 0.0011167100000000, 0.0007425100000000 ] - [ 0.0001369800000000, -0.0041935500000000, -0.0013017900000000 ] - [ -0.0001147100000000, -0.0041778700000000, -0.0014542600000000 ] - [ -0.0001156800000000, -0.0042130700000000, -0.0011427600000000 ] - [ -0.0003403600000000, -0.0010874700000000, -0.0007154500000000 ] - [ -0.0002120500000000, -0.0011226400000000, -0.0003528400000000 ] - [ -0.0002119400000000, -0.0010393900000000, -0.0011223000000000 ] - [ 0.0000333900000000, -0.0027386000000000, 0.0000000000000000 ] - [ 0.0000469400000000, -0.0027701800000000, 0.0000000000000000 ] - [ 0.0000480100000000, -0.0027058700000000, 0.0000000000000000 ] - [ 0.0002795500000000, 0.0039491900000000, -0.0013662900000000 ] - [ -0.0000568400000000, 0.0041963000000000, -0.0013021500000000 ] - [ 0.0002867300000000, 0.0044497400000000, -0.0012362900000000 ] - [ 0.0002795500000000, 0.0039491900000000, 0.0013662900000000 ] - [ -0.0000568400000000, 0.0041963000000000, 0.0013021500000000 ] - [ 0.0002867300000000, 0.0044497400000000, 0.0012362900000000 ] - [ -0.0003403600000000, -0.0010874700000000, 0.0007154500000000 ] - [ -0.0002120500000000, -0.0011226400000000, 0.0003528400000000 ] - [ -0.0002119400000000, -0.0010393900000000, 0.0011223000000000 ] - [ 0.0329007800000000, -0.0186909100000000, 0.0000000000000000 ] - [ -0.0002793400000000, 0.0027417300000000, 0.0000000000000000 ] - [ 0.0314308600000000, 0.0231081800000000, 0.0000000000000000 ] - [ 0.0001369800000000, -0.0041935500000000, 0.0013017900000000 ] - [ -0.0001147100000000, -0.0041778700000000, 0.0014542600000000 ] - [ -0.0001156800000000, -0.0042130700000000, 0.0011427600000000 ] - [ 0.0000148100000000, 0.0010517700000000, -0.0007281100000000 ] - [ 0.0000114900000000, 0.0010837700000000, -0.0007370500000000 ] - [ 0.0000157600000000, 0.0011167100000000, -0.0007425100000000 ] - [ 0.0000100400000000, 0.0010840100000000, 0.0007391000000000 ] - [ -0.0000057100000000, 0.0010650200000000, 0.0007844500000000 ] - [ -0.0000048600000000, 0.0011047300000000, 0.0006844700000000 ] - [ 0.0000292900000000, -0.0041565800000000, -0.0013132000000000 ] - [ -0.0000426800000000, -0.0041937500000000, -0.0013006100000000 ] - [ 0.0000325200000000, -0.0042360000000000, -0.0012876100000000 ] - [ 0.0000223900000000, -0.0010491500000000, -0.0007026500000000 ] - [ -0.0000603200000000, -0.0010834200000000, -0.0007376400000000 ] - [ 0.0000228800000000, -0.0011173500000000, -0.0007692900000000 ] - [ 0.0000135100000000, -0.0027536800000000, 0.0000000000000000 ] - [ -0.0000218300000000, -0.0027374200000000, 0.0000000000000000 ] - [ 0.0000161200000000, -0.0027260100000000, 0.0000000000000000 ] - [ 0.0000158200000000, 0.0041970300000000, -0.0013016900000000 ] - [ -0.0000079800000000, 0.0041928600000000, -0.0012993200000000 ] - [ -0.0000085000000000, 0.0042028100000000, -0.0013028300000000 ] - [ 0.0000158200000000, 0.0041970300000000, 0.0013016900000000 ] - [ -0.0000079800000000, 0.0041928600000000, 0.0012993200000000 ] - [ -0.0000085000000000, 0.0042028100000000, 0.0013028300000000 ] - [ 0.0000223900000000, -0.0010491500000000, 0.0007026500000000 ] - [ -0.0000603200000000, -0.0010834200000000, 0.0007376400000000 ] - [ 0.0000228800000000, -0.0011173500000000, 0.0007692900000000 ] - [ 0.0000328400000000, 0.0027408300000000, 0.0000000000000000 ] - [ -0.0000081800000000, 0.0027508100000000, 0.0000000000000000 ] - [ -0.0000070400000000, 0.0027303200000000, 0.0000000000000000 ] - [ 0.0000292900000000, -0.0041565800000000, 0.0013132000000000 ] - [ -0.0000426800000000, -0.0041937500000000, 0.0013006100000000 ] - [ 0.0000325200000000, -0.0042360000000000, 0.0012876100000000 ] - [ 0.0000100400000000, 0.0010840100000000, -0.0007391000000000 ] - [ -0.0000057100000000, 0.0010650200000000, -0.0007844500000000 ] - [ -0.0000048600000000, 0.0011047300000000, -0.0006844700000000 ]- atom: 40 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001332700000000, -0.0005948400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0005476700000000, 0.0000000000000000 ] - [ -0.0001332700000000, -0.0005948400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0014822400000000, 0.0000000000000000 ] - [ -0.0000475300000000, 0.0009643000000000, 0.0000000000000000 ] - [ 0.0000475300000000, 0.0009643000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004239400000000, 0.0000000000000000 ] - [ 0.0000075000000000, -0.0004831900000000, 0.0000000000000000 ] - [ -0.0000075000000000, -0.0004831900000000, 0.0000000000000000 ] - [ 0.0015536100000000, 0.0024205000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0003756200000000, 0.0000000000000000 ] - [ -0.0015536100000000, 0.0024205000000000, 0.0000000000000000 ] - [ 0.0009808000000000, 0.0006818700000000, 0.0041875700000000 ] - [ 0.0000000000000000, 0.0020641100000000, 0.0012276100000000 ] - [ -0.0009808000000000, 0.0006818700000000, 0.0041875700000000 ] - [ 0.0000000000000000, -0.0025373100000000, 0.0005131300000000 ] - [ 0.0002255100000000, -0.0023924400000000, 0.0003295700000000 ] - [ -0.0002255100000000, -0.0023924400000000, 0.0003295700000000 ] - [ 0.0000000000000000, -0.0025373100000000, -0.0005131300000000 ] - [ 0.0002255100000000, -0.0023924400000000, -0.0003295700000000 ] - [ -0.0002255100000000, -0.0023924400000000, -0.0003295700000000 ] - [ 0.0009808000000000, 0.0006818700000000, -0.0041875700000000 ] - [ 0.0000000000000000, 0.0020641100000000, -0.0012276100000000 ] - [ -0.0009808000000000, 0.0006818700000000, -0.0041875700000000 ] - [ 0.0000000000000000, 0.0024949400000000, 0.0007274500000000 ] - [ 0.0001364900000000, 0.0023572100000000, 0.0006560600000000 ] - [ -0.0001364900000000, 0.0023572100000000, 0.0006560600000000 ] - [ 0.0003991000000000, -0.0020098100000000, 0.0003827300000000 ] - [ 0.0000000000000000, -0.0022421700000000, 0.0005256100000000 ] - [ -0.0003991000000000, -0.0020098100000000, 0.0003827300000000 ] - [ 0.0003991000000000, -0.0020098100000000, -0.0003827300000000 ] - [ 0.0000000000000000, -0.0022421700000000, -0.0005256100000000 ] - [ -0.0003991000000000, -0.0020098100000000, -0.0003827300000000 ] - [ 0.0000000000000000, 0.0024949400000000, -0.0007274500000000 ] - [ 0.0001364900000000, 0.0023572100000000, -0.0006560600000000 ] - [ -0.0001364900000000, 0.0023572100000000, -0.0006560600000000 ] - [ 0.0000000000000000, -0.0028709000000000, 0.0032682300000000 ] - [ 0.0000831900000000, -0.0022071000000000, 0.0008977400000000 ] - [ -0.0000831900000000, -0.0022071000000000, 0.0008977400000000 ] - [ 0.0000000000000000, -0.0330187800000000, 0.0000000000000000 ] - [ -0.0005010400000000, -0.0044620800000000, 0.0000000000000000 ] - [ 0.0005010400000000, -0.0044620800000000, 0.0000000000000000 ] - [ 0.0000444200000000, 0.0022997000000000, -0.0009766800000000 ] - [ 0.0000000000000000, 0.0023232600000000, -0.0009731000000000 ] - [ -0.0000444200000000, 0.0022997000000000, -0.0009766800000000 ] - [ 0.0000444200000000, 0.0022997000000000, 0.0009766800000000 ] - [ 0.0000000000000000, 0.0023232600000000, 0.0009731000000000 ] - [ -0.0000444200000000, 0.0022997000000000, 0.0009766800000000 ] - [ 0.0000063200000000, 0.0029010900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0027938300000000, 0.0000000000000000 ] - [ -0.0000063200000000, 0.0029010900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0028709000000000, -0.0032682300000000 ] - [ 0.0000831900000000, -0.0022071000000000, -0.0008977400000000 ] - [ -0.0000831900000000, -0.0022071000000000, -0.0008977400000000 ] - [ 0.0000073600000000, -0.0022143400000000, 0.0009501000000000 ] - [ 0.0000000000000000, -0.0021892300000000, 0.0009422500000000 ] - [ -0.0000073600000000, -0.0022143400000000, 0.0009501000000000 ] - [ 0.0000098500000000, -0.0029052800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0028656500000000, 0.0000000000000000 ] - [ -0.0000098500000000, -0.0029052800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0029137500000000, -0.0011276600000000 ] - [ 0.0000374900000000, 0.0021053000000000, -0.0010431800000000 ] - [ -0.0000374900000000, 0.0021053000000000, -0.0010431800000000 ] - [ 0.0000000000000000, 0.0029137500000000, 0.0011276600000000 ] - [ 0.0000374900000000, 0.0021053000000000, 0.0010431800000000 ] - [ -0.0000374900000000, 0.0021053000000000, 0.0010431800000000 ] - [ 0.0000000000000000, 0.0034627700000000, 0.0000000000000000 ] - [ 0.0000242800000000, 0.0028307600000000, 0.0000000000000000 ] - [ -0.0000242800000000, 0.0028307600000000, 0.0000000000000000 ] - [ 0.0000073600000000, -0.0022143400000000, -0.0009501000000000 ] - [ 0.0000000000000000, -0.0021892300000000, -0.0009422500000000 ] - [ -0.0000073600000000, -0.0022143400000000, -0.0009501000000000 ] - [ -0.0000345100000000, 0.0010836500000000, 0.0006857600000000 ] - [ 0.0000000000000000, 0.0010789600000000, 0.0004910800000000 ] - [ 0.0000345100000000, 0.0010836500000000, 0.0006857600000000 ] - [ 0.0000000000000000, -0.0037651200000000, -0.0015799700000000 ] - [ 0.0000656700000000, -0.0042979000000000, -0.0009370500000000 ] - [ -0.0000656700000000, -0.0042979000000000, -0.0009370500000000 ] - [ 0.0000000000000000, 0.0013639000000000, 0.0021318300000000 ] - [ -0.0001404300000000, -0.0008206900000000, -0.0009857200000000 ] - [ 0.0001404300000000, -0.0008206900000000, -0.0009857200000000 ] - [ 0.0000000000000000, -0.0026385200000000, 0.0000000000000000 ] - [ -0.0000638700000000, -0.0026332000000000, 0.0000000000000000 ] - [ 0.0000638700000000, -0.0026332000000000, 0.0000000000000000 ] - [ -0.0003641100000000, 0.0047143300000000, -0.0013365400000000 ] - [ 0.0000000000000000, 0.0041965800000000, -0.0014891600000000 ] - [ 0.0003641100000000, 0.0047143300000000, -0.0013365400000000 ] - [ -0.0003641100000000, 0.0047143300000000, 0.0013365400000000 ] - [ 0.0000000000000000, 0.0041965800000000, 0.0014891600000000 ] - [ 0.0003641100000000, 0.0047143300000000, 0.0013365400000000 ] - [ 0.0000000000000000, 0.0013639000000000, -0.0021318300000000 ] - [ -0.0001404300000000, -0.0008206900000000, 0.0009857200000000 ] - [ 0.0001404300000000, -0.0008206900000000, 0.0009857200000000 ] - [ -0.0186990100000000, 0.0157559100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0032338600000000, 0.0000000000000000 ] - [ 0.0186990100000000, 0.0157559100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0037651200000000, 0.0015799700000000 ] - [ 0.0000656700000000, -0.0042979000000000, 0.0009370500000000 ] - [ -0.0000656700000000, -0.0042979000000000, 0.0009370500000000 ] - [ -0.0000345100000000, 0.0010836500000000, -0.0006857600000000 ] - [ 0.0000000000000000, 0.0010789600000000, -0.0004910800000000 ] - [ 0.0000345100000000, 0.0010836500000000, -0.0006857600000000 ] - [ 0.0000000000000000, 0.0006548300000000, 0.0015587600000000 ] - [ -0.0000598600000000, 0.0011416800000000, 0.0006121200000000 ] - [ 0.0000598600000000, 0.0011416800000000, 0.0006121200000000 ] - [ -0.0000051700000000, -0.0042593300000000, -0.0012746800000000 ] - [ 0.0000000000000000, -0.0041431800000000, -0.0012602300000000 ] - [ 0.0000051700000000, -0.0042593300000000, -0.0012746800000000 ] - [ -0.0000197800000000, -0.0011804400000000, -0.0008224800000000 ] - [ 0.0000000000000000, -0.0011732200000000, -0.0008316000000000 ] - [ 0.0000197800000000, -0.0011804400000000, -0.0008224800000000 ] - [ -0.0001826700000000, -0.0030540500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0026304900000000, 0.0000000000000000 ] - [ 0.0001826700000000, -0.0030540500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0041055700000000, -0.0013459200000000 ] - [ -0.0000769900000000, 0.0041583600000000, -0.0013626000000000 ] - [ 0.0000769900000000, 0.0041583600000000, -0.0013626000000000 ] - [ 0.0000000000000000, 0.0041055700000000, 0.0013459200000000 ] - [ -0.0000769900000000, 0.0041583600000000, 0.0013626000000000 ] - [ 0.0000769900000000, 0.0041583600000000, 0.0013626000000000 ] - [ -0.0000197800000000, -0.0011804400000000, 0.0008224800000000 ] - [ 0.0000000000000000, -0.0011732200000000, 0.0008316000000000 ] - [ 0.0000197800000000, -0.0011804400000000, 0.0008224800000000 ] - [ 0.0000000000000000, 0.0027057200000000, 0.0000000000000000 ] - [ -0.0000334400000000, 0.0027007400000000, 0.0000000000000000 ] - [ 0.0000334400000000, 0.0027007400000000, 0.0000000000000000 ] - [ -0.0000051700000000, -0.0042593300000000, 0.0012746800000000 ] - [ 0.0000000000000000, -0.0041431800000000, 0.0012602300000000 ] - [ 0.0000051700000000, -0.0042593300000000, 0.0012746800000000 ] - [ 0.0000000000000000, 0.0006548300000000, -0.0015587600000000 ] - [ -0.0000598600000000, 0.0011416800000000, -0.0006121200000000 ] - [ 0.0000598600000000, 0.0011416800000000, -0.0006121200000000 ]- atom: 40 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001348700000000, -0.0004449100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004938600000000, 0.0000000000000000 ] - [ 0.0001348700000000, -0.0004449100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004710400000000, 0.0000000000000000 ] - [ 0.0000497100000000, 0.0000780500000000, 0.0000000000000000 ] - [ -0.0000497100000000, 0.0000780500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0006210400000000, 0.0000000000000000 ] - [ -0.0000079300000000, -0.0005609300000000, 0.0000000000000000 ] - [ 0.0000079300000000, -0.0005609300000000, 0.0000000000000000 ] - [ -0.0015226000000000, -0.0013379500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0006707000000000, 0.0000000000000000 ] - [ 0.0015226000000000, -0.0013379500000000, 0.0000000000000000 ] - [ -0.0009650500000000, 0.0037496900000000, -0.0030274500000000 ] - [ 0.0000000000000000, 0.0023729500000000, -0.0000549700000000 ] - [ 0.0009650500000000, 0.0037496900000000, -0.0030274500000000 ] - [ 0.0000000000000000, -0.0018974700000000, 0.0006607300000000 ] - [ -0.0002230300000000, -0.0020440200000000, 0.0008437900000000 ] - [ 0.0002230300000000, -0.0020440200000000, 0.0008437900000000 ] - [ 0.0000000000000000, -0.0018974700000000, -0.0006607300000000 ] - [ -0.0002230300000000, -0.0020440200000000, -0.0008437900000000 ] - [ 0.0002230300000000, -0.0020440200000000, -0.0008437900000000 ] - [ -0.0009650500000000, 0.0037496900000000, 0.0030274500000000 ] - [ 0.0000000000000000, 0.0023729500000000, 0.0000549700000000 ] - [ 0.0009650500000000, 0.0037496900000000, 0.0030274500000000 ] - [ 0.0000000000000000, 0.0019399100000000, 0.0004457700000000 ] - [ -0.0001377500000000, 0.0020797900000000, 0.0005175800000000 ] - [ 0.0001377500000000, 0.0020797900000000, 0.0005175800000000 ] - [ -0.0004026400000000, -0.0024246600000000, 0.0007913300000000 ] - [ 0.0000000000000000, -0.0021907300000000, 0.0006476100000000 ] - [ 0.0004026400000000, -0.0024246600000000, 0.0007913300000000 ] - [ -0.0004026400000000, -0.0024246600000000, -0.0007913300000000 ] - [ 0.0000000000000000, -0.0021907300000000, -0.0006476100000000 ] - [ 0.0004026400000000, -0.0024246600000000, -0.0007913300000000 ] - [ 0.0000000000000000, 0.0019399100000000, -0.0004457700000000 ] - [ -0.0001377500000000, 0.0020797900000000, -0.0005175800000000 ] - [ 0.0001377500000000, 0.0020797900000000, -0.0005175800000000 ] - [ 0.0000000000000000, -0.0015692700000000, -0.0013085600000000 ] - [ -0.0000829100000000, -0.0022358000000000, 0.0010576900000000 ] - [ 0.0000829100000000, -0.0022358000000000, 0.0010576900000000 ] - [ 0.0000000000000000, 0.0271213800000000, 0.0000000000000000 ] - [ 0.0005005400000000, -0.0013256800000000, 0.0000000000000000 ] - [ -0.0005005400000000, -0.0013256800000000, 0.0000000000000000 ] - [ -0.0000431500000000, 0.0021465600000000, -0.0009801100000000 ] - [ 0.0000000000000000, 0.0021247200000000, -0.0009848800000000 ] - [ 0.0000431500000000, 0.0021465600000000, -0.0009801100000000 ] - [ -0.0000431500000000, 0.0021465600000000, 0.0009801100000000 ] - [ 0.0000000000000000, 0.0021247200000000, 0.0009848800000000 ] - [ 0.0000431500000000, 0.0021465600000000, 0.0009801100000000 ] - [ -0.0000061500000000, 0.0028952800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0030037400000000, 0.0000000000000000 ] - [ 0.0000061500000000, 0.0028952800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0015692700000000, 0.0013085600000000 ] - [ -0.0000829100000000, -0.0022358000000000, -0.0010576900000000 ] - [ 0.0000829100000000, -0.0022358000000000, -0.0010576900000000 ] - [ -0.0000069100000000, -0.0022301600000000, 0.0010045900000000 ] - [ 0.0000000000000000, -0.0022565400000000, 0.0010132000000000 ] - [ 0.0000069100000000, -0.0022301600000000, 0.0010045900000000 ] - [ -0.0000100800000000, -0.0028902600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0029286000000000, 0.0000000000000000 ] - [ 0.0000100800000000, -0.0028902600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0015139200000000, -0.0008381600000000 ] - [ -0.0000377800000000, 0.0023440200000000, -0.0009114300000000 ] - [ 0.0000377800000000, 0.0023440200000000, -0.0009114300000000 ] - [ 0.0000000000000000, 0.0015139200000000, 0.0008381600000000 ] - [ -0.0000377800000000, 0.0023440200000000, 0.0009114300000000 ] - [ 0.0000377800000000, 0.0023440200000000, 0.0009114300000000 ] - [ 0.0000000000000000, 0.0023221600000000, 0.0000000000000000 ] - [ -0.0000240200000000, 0.0029664500000000, 0.0000000000000000 ] - [ 0.0000240200000000, 0.0029664500000000, 0.0000000000000000 ] - [ -0.0000069100000000, -0.0022301600000000, -0.0010045900000000 ] - [ 0.0000000000000000, -0.0022565400000000, -0.0010132000000000 ] - [ 0.0000069100000000, -0.0022301600000000, -0.0010045900000000 ] - [ 0.0000341300000000, 0.0010696800000000, 0.0007757200000000 ] - [ 0.0000000000000000, 0.0010762200000000, 0.0009712600000000 ] - [ -0.0000341300000000, 0.0010696800000000, 0.0007757200000000 ] - [ 0.0000000000000000, -0.0046393400000000, -0.0010345900000000 ] - [ -0.0000644600000000, -0.0041054600000000, -0.0016800300000000 ] - [ 0.0000644600000000, -0.0041054600000000, -0.0016800300000000 ] - [ 0.0000000000000000, -0.0034366000000000, -0.0037076500000000 ] - [ 0.0001408100000000, -0.0013330600000000, -0.0004745500000000 ] - [ -0.0001408100000000, -0.0013330600000000, -0.0004745500000000 ] - [ 0.0000000000000000, -0.0028150600000000, 0.0000000000000000 ] - [ 0.0000641700000000, -0.0028194600000000, 0.0000000000000000 ] - [ -0.0000641700000000, -0.0028194600000000, 0.0000000000000000 ] - [ 0.0003611800000000, 0.0036939200000000, -0.0012777700000000 ] - [ 0.0000000000000000, 0.0042066200000000, -0.0011291800000000 ] - [ -0.0003611800000000, 0.0036939200000000, -0.0012777700000000 ] - [ 0.0003611800000000, 0.0036939200000000, 0.0012777700000000 ] - [ 0.0000000000000000, 0.0042066200000000, 0.0011291800000000 ] - [ -0.0003611800000000, 0.0036939200000000, 0.0012777700000000 ] - [ 0.0000000000000000, -0.0034366000000000, 0.0037076500000000 ] - [ 0.0001408100000000, -0.0013330600000000, 0.0004745500000000 ] - [ -0.0001408100000000, -0.0013330600000000, 0.0004745500000000 ] - [ 0.0192298400000000, -0.0104424200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0022228600000000, 0.0000000000000000 ] - [ -0.0192298400000000, -0.0104424200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0046393400000000, 0.0010345900000000 ] - [ -0.0000644600000000, -0.0041054600000000, 0.0016800300000000 ] - [ 0.0000644600000000, -0.0041054600000000, 0.0016800300000000 ] - [ 0.0000341300000000, 0.0010696800000000, -0.0007757200000000 ] - [ 0.0000000000000000, 0.0010762200000000, -0.0009712600000000 ] - [ -0.0000341300000000, 0.0010696800000000, -0.0007757200000000 ] - [ 0.0000000000000000, 0.0015054000000000, -0.0001097500000000 ] - [ 0.0000602800000000, 0.0010123200000000, 0.0008476300000000 ] - [ -0.0000602800000000, 0.0010123200000000, 0.0008476300000000 ] - [ 0.0000085000000000, -0.0041403600000000, -0.0013435400000000 ] - [ 0.0000000000000000, -0.0042604400000000, -0.0013581100000000 ] - [ -0.0000085000000000, -0.0041403600000000, -0.0013435400000000 ] - [ 0.0000197700000000, -0.0009698200000000, -0.0006381300000000 ] - [ 0.0000000000000000, -0.0009758700000000, -0.0006302100000000 ] - [ -0.0000197700000000, -0.0009698200000000, -0.0006381300000000 ] - [ 0.0001825700000000, -0.0023980700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0028236500000000, 0.0000000000000000 ] - [ -0.0001825700000000, -0.0023980700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0043043000000000, -0.0012725800000000 ] - [ 0.0000774900000000, 0.0042519200000000, -0.0012555300000000 ] - [ -0.0000774900000000, 0.0042519200000000, -0.0012555300000000 ] - [ 0.0000000000000000, 0.0043043000000000, 0.0012725800000000 ] - [ 0.0000774900000000, 0.0042519200000000, 0.0012555300000000 ] - [ -0.0000774900000000, 0.0042519200000000, 0.0012555300000000 ] - [ 0.0000197700000000, -0.0009698200000000, 0.0006381300000000 ] - [ 0.0000000000000000, -0.0009758700000000, 0.0006302100000000 ] - [ -0.0000197700000000, -0.0009698200000000, 0.0006381300000000 ] - [ 0.0000000000000000, 0.0027555900000000, 0.0000000000000000 ] - [ 0.0000333500000000, 0.0027614100000000, 0.0000000000000000 ] - [ -0.0000333500000000, 0.0027614100000000, 0.0000000000000000 ] - [ 0.0000085000000000, -0.0041403600000000, 0.0013435400000000 ] - [ 0.0000000000000000, -0.0042604400000000, 0.0013581100000000 ] - [ -0.0000085000000000, -0.0041403600000000, 0.0013435400000000 ] - [ 0.0000000000000000, 0.0015054000000000, 0.0001097500000000 ] - [ 0.0000602800000000, 0.0010123200000000, -0.0008476300000000 ] - [ -0.0000602800000000, 0.0010123200000000, -0.0008476300000000 ]- atom: 40 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000003500000000, -0.0005195600000000, 0.0002845000000000 ] - [ 0.0000000000000000, -0.0005193200000000, 0.0000829100000000 ] - [ -0.0000003500000000, -0.0005195600000000, 0.0002845000000000 ] - [ 0.0000000000000000, 0.0005209700000000, -0.0001629700000000 ] - [ -0.0000001400000000, 0.0005216900000000, 0.0000509900000000 ] - [ 0.0000001400000000, 0.0005216900000000, 0.0000509900000000 ] - [ 0.0000000000000000, -0.0005183300000000, 0.0000764200000000 ] - [ 0.0000000200000000, -0.0005188700000000, 0.0000542900000000 ] - [ -0.0000000200000000, -0.0005188700000000, 0.0000542900000000 ] - [ -0.0000000600000000, 0.0005169700000000, -0.0008071000000000 ] - [ 0.0000000000000000, 0.0005203800000000, -0.0001104100000000 ] - [ 0.0000000600000000, 0.0005169700000000, -0.0008071000000000 ] - [ -0.0020108400000000, 0.0038324100000000, 0.0000827700000000 ] - [ 0.0000000000000000, 0.0024444100000000, 0.0005779900000000 ] - [ 0.0020108400000000, 0.0038324100000000, 0.0000827700000000 ] - [ 0.0000000000000000, -0.0024861300000000, 0.0006873700000000 ] - [ 0.0001731300000000, -0.0024034500000000, 0.0006092200000000 ] - [ -0.0001731300000000, -0.0024034500000000, 0.0006092200000000 ] - [ 0.0000000000000000, -0.0019460800000000, -0.0004860300000000 ] - [ -0.0001734300000000, -0.0020319900000000, -0.0005638800000000 ] - [ 0.0001734300000000, -0.0020319900000000, -0.0005638800000000 ] - [ 0.0020748600000000, 0.0005940400000000, -0.0010306000000000 ] - [ 0.0000000000000000, 0.0020001700000000, -0.0005963600000000 ] - [ -0.0020748600000000, 0.0005940400000000, -0.0010306000000000 ] - [ 0.0000000000000000, 0.0018145000000000, 0.0002726600000000 ] - [ -0.0002232400000000, 0.0020431000000000, 0.0003983900000000 ] - [ 0.0002232400000000, 0.0020431000000000, 0.0003983900000000 ] - [ 0.0004809100000000, -0.0018159800000000, 0.0010345700000000 ] - [ 0.0000000000000000, -0.0021882900000000, 0.0007091400000000 ] - [ -0.0004809100000000, -0.0018159800000000, 0.0010345700000000 ] - [ -0.0004787100000000, -0.0026216700000000, -0.0001396300000000 ] - [ 0.0000000000000000, -0.0022502600000000, -0.0004639600000000 ] - [ 0.0004787100000000, -0.0026216700000000, -0.0001396300000000 ] - [ 0.0000000000000000, 0.0026303700000000, -0.0009031800000000 ] - [ 0.0002252400000000, 0.0024001100000000, -0.0007758500000000 ] - [ -0.0002252400000000, 0.0024001100000000, -0.0007758500000000 ] - [ 0.0000000000000000, -0.0028577100000000, 0.0025099600000000 ] - [ 0.0000512500000000, -0.0021745500000000, 0.0009745100000000 ] - [ -0.0000512500000000, -0.0021745500000000, 0.0009745100000000 ] - [ 0.0000000000000000, -0.0032921800000000, -0.0029459800000000 ] - [ -0.0000025000000000, -0.0029005700000000, 0.0001572200000000 ] - [ 0.0000025000000000, -0.0029005700000000, 0.0001572200000000 ] - [ 0.0000174900000000, 0.0022373300000000, -0.0009614100000000 ] - [ 0.0000000000000000, 0.0022430000000000, -0.0009271300000000 ] - [ -0.0000174900000000, 0.0022373300000000, -0.0009614100000000 ] - [ -0.0000175500000000, 0.0022072400000000, 0.0009854100000000 ] - [ 0.0000000000000000, 0.0021991400000000, 0.0010199100000000 ] - [ 0.0000175500000000, 0.0022072400000000, 0.0009854100000000 ] - [ -0.0000004300000000, 0.0029015100000000, 0.0000041600000000 ] - [ 0.0000000000000000, 0.0029050600000000, -0.0000071700000000 ] - [ 0.0000004300000000, 0.0029015100000000, 0.0000041600000000 ] - [ 0.0000000000000000, -0.0015853100000000, 0.0005799100000000 ] - [ -0.0000513400000000, -0.0022642900000000, -0.0009713400000000 ] - [ 0.0000513400000000, -0.0022642900000000, -0.0009713400000000 ] - [ 0.0000080000000000, -0.0022154100000000, 0.0009613700000000 ] - [ 0.0000000000000000, -0.0021862200000000, 0.0009540300000000 ] - [ -0.0000080000000000, -0.0022154100000000, 0.0009613700000000 ] - [ -0.0000007000000000, -0.0029019400000000, -0.0000407800000000 ] - [ 0.0000000000000000, -0.0029024200000000, -0.0000123000000000 ] - [ 0.0000007000000000, -0.0029019400000000, -0.0000407800000000 ] - [ 0.0000000000000000, 0.0043865000000000, -0.0000292900000000 ] - [ 0.0000656300000000, 0.0021662000000000, -0.0009415800000000 ] - [ -0.0000656300000000, 0.0021662000000000, -0.0009415800000000 ] - [ 0.0000000000000000, 0.0000732900000000, 0.0019080800000000 ] - [ -0.0000646300000000, 0.0022773300000000, 0.0010035900000000 ] - [ 0.0000646300000000, 0.0022773300000000, 0.0010035900000000 ] - [ 0.0000000000000000, 0.0028988400000000, 0.0009332000000000 ] - [ 0.0000003200000000, 0.0029032800000000, 0.0000424000000000 ] - [ -0.0000003200000000, 0.0029032800000000, 0.0000424000000000 ] - [ -0.0000071800000000, -0.0022216100000000, -0.0009853900000000 ] - [ 0.0000000000000000, -0.0022524600000000, -0.0009920600000000 ] - [ 0.0000071800000000, -0.0022216100000000, -0.0009853900000000 ] - [ 0.0000123700000000, 0.0010579300000000, 0.0007088500000000 ] - [ 0.0000000000000000, 0.0010897300000000, 0.0007318400000000 ] - [ -0.0000123700000000, 0.0010579300000000, 0.0007088500000000 ] - [ 0.0000000000000000, -0.0046211300000000, -0.0006842500000000 ] - [ 0.0000232000000000, -0.0041556000000000, -0.0011225600000000 ] - [ -0.0000232000000000, -0.0041556000000000, -0.0011225600000000 ] - [ 0.0000000000000000, -0.0028117200000000, -0.0001862500000000 ] - [ 0.0001875400000000, -0.0012142200000000, -0.0006738900000000 ] - [ -0.0001875400000000, -0.0012142200000000, -0.0006738900000000 ] - [ 0.0000000000000000, -0.0027361400000000, -0.0001117800000000 ] - [ -0.0000006300000000, -0.0027345300000000, -0.0001359400000000 ] - [ 0.0000006300000000, -0.0027345300000000, -0.0001359400000000 ] - [ 0.0002051900000000, 0.0038253200000000, -0.0014132500000000 ] - [ 0.0000000000000000, 0.0041678100000000, -0.0013044100000000 ] - [ -0.0002051900000000, 0.0038253200000000, -0.0014132500000000 ] - [ -0.0002043400000000, 0.0045794600000000, 0.0011916600000000 ] - [ 0.0000000000000000, 0.0042370600000000, 0.0012996900000000 ] - [ 0.0002043400000000, 0.0045794600000000, 0.0011916600000000 ] - [ 0.0000000000000000, 0.0008432500000000, 0.0016352800000000 ] - [ -0.0001859000000000, -0.0009406200000000, 0.0007993000000000 ] - [ 0.0001859000000000, -0.0009406200000000, 0.0007993000000000 ] - [ -0.0000929900000000, 0.0027769600000000, -0.0001559000000000 ] - [ 0.0000000000000000, 0.0027378900000000, 0.0000595600000000 ] - [ 0.0000929900000000, 0.0027769600000000, -0.0001559000000000 ] - [ 0.0000000000000000, -0.0037854700000000, 0.0019145000000000 ] - [ -0.0000257500000000, -0.0042405600000000, 0.0014817600000000 ] - [ 0.0000257500000000, -0.0042405600000000, 0.0014817600000000 ] - [ -0.0000124500000000, 0.0011056600000000, -0.0007599400000000 ] - [ 0.0000000000000000, 0.0010731200000000, -0.0007379400000000 ] - [ 0.0000124500000000, 0.0011056600000000, -0.0007599400000000 ] - [ 0.0000000000000000, 0.0020023200000000, -0.0006664300000000 ] - [ 0.0000554600000000, 0.0010796300000000, 0.0006814500000000 ] - [ -0.0000554600000000, 0.0010796300000000, 0.0006814500000000 ] - [ -0.0002229500000000, -0.0045527600000000, -0.0013937800000000 ] - [ 0.0000000000000000, -0.0041905200000000, -0.0013009300000000 ] - [ 0.0002229500000000, -0.0045527600000000, -0.0013937800000000 ] - [ 0.0000244500000000, -0.0010271900000000, -0.0006548000000000 ] - [ 0.0000000000000000, -0.0010215100000000, -0.0006834900000000 ] - [ -0.0000244500000000, -0.0010271900000000, -0.0006548000000000 ] - [ -0.0000010700000000, -0.0027364000000000, -0.0006156400000000 ] - [ 0.0000000000000000, -0.0027346800000000, -0.0001476000000000 ] - [ 0.0000010700000000, -0.0027364000000000, -0.0006156400000000 ] - [ 0.0000000000000000, 0.0043109500000000, -0.0013269200000000 ] - [ 0.0000786300000000, 0.0042758500000000, -0.0013515900000000 ] - [ -0.0000786300000000, 0.0042758500000000, -0.0013515900000000 ] - [ 0.0000000000000000, 0.0040911600000000, 0.0012787400000000 ] - [ -0.0000781100000000, 0.0041274200000000, 0.0012527000000000 ] - [ 0.0000781100000000, 0.0041274200000000, 0.0012527000000000 ] - [ -0.0000250800000000, -0.0011323500000000, 0.0008135900000000 ] - [ 0.0000000000000000, -0.0011408500000000, 0.0007874400000000 ] - [ 0.0000250800000000, -0.0011323500000000, 0.0008135900000000 ] - [ 0.0000000000000000, 0.0027383200000000, 0.0002371000000000 ] - [ -0.0000003800000000, 0.0027374100000000, 0.0001934700000000 ] - [ 0.0000003800000000, 0.0027374100000000, 0.0001934700000000 ] - [ 0.0002200400000000, -0.0038528500000000, 0.0012081800000000 ] - [ 0.0000000000000000, -0.0042094900000000, 0.0013006700000000 ] - [ -0.0002200400000000, -0.0038528500000000, 0.0012081800000000 ] - [ 0.0000000000000000, 0.0001598500000000, -0.0021453600000000 ] - [ -0.0000559500000000, 0.0010841900000000, -0.0007915900000000 ] - [ 0.0000559500000000, 0.0010841900000000, -0.0007915900000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001959700000000, -0.0005215200000000, 0.0000026200000000 ] - [ -0.0000947100000000, -0.0006260500000000, 0.0000724800000000 ] - [ -0.0000951800000000, -0.0004157500000000, -0.0000671800000000 ] - [ 0.0000409600000000, 0.0004475300000000, 0.0001280900000000 ] - [ 0.0000409000000000, 0.0005940900000000, -0.0001307500000000 ] - [ -0.0000779700000000, 0.0005209200000000, -0.0000022200000000 ] - [ 0.0026756200000000, 0.0013948300000000, 0.0025161800000000 ] - [ 0.0027065900000000, -0.0024808800000000, -0.0025775100000000 ] - [ -0.0003011500000000, -0.0005187900000000, 0.0000031900000000 ] - [ 0.0000187400000000, 0.0005198500000000, -0.0000020800000000 ] - [ -0.0000038800000000, 0.0005159000000000, -0.0000260500000000 ] - [ -0.0000041900000000, 0.0005245100000000, 0.0000215500000000 ] - [ 0.0013322600000000, 0.0022188300000000, 0.0005812500000000 ] - [ -0.0006425300000000, 0.0017285400000000, -0.0002028700000000 ] - [ -0.0006439800000000, 0.0027107300000000, 0.0013722000000000 ] - [ 0.0001485300000000, -0.0023461900000000, -0.0001809800000000 ] - [ 0.0001476800000000, -0.0020883800000000, 0.0013569000000000 ] - [ -0.0003076600000000, -0.0022180000000000, 0.0005870200000000 ] - [ 0.0147203500000000, -0.0137188500000000, -0.0032723400000000 ] - [ 0.0151855100000000, 0.0099133000000000, 0.0022202500000000 ] - [ -0.0033950700000000, -0.0022213000000000, -0.0005873600000000 ] - [ 0.0001012200000000, 0.0022172000000000, -0.0005859900000000 ] - [ -0.0000800100000000, 0.0021755600000000, -0.0006519000000000 ] - [ -0.0000802700000000, 0.0022589700000000, -0.0005190200000000 ] - [ 0.0002581000000000, 0.0021674000000000, 0.0010162900000000 ] - [ 0.0002650600000000, 0.0022648700000000, 0.0001602300000000 ] - [ -0.0003652500000000, 0.0022185500000000, 0.0005859100000000 ] - [ 0.0001550600000000, -0.0022182400000000, 0.0005856400000000 ] - [ -0.0000826600000000, -0.0021575000000000, 0.0006439500000000 ] - [ -0.0000826600000000, -0.0022779100000000, 0.0005267900000000 ] - [ 0.0006076300000000, -0.0022217900000000, -0.0005872800000000 ] - [ -0.0005353600000000, -0.0020755900000000, -0.0004689900000000 ] - [ -0.0005392800000000, -0.0023667300000000, -0.0007046700000000 ] - [ 0.0000216900000000, 0.0021739700000000, -0.0006154600000000 ] - [ 0.0000229500000000, 0.0022617500000000, -0.0005539200000000 ] - [ -0.0001038100000000, 0.0022178600000000, -0.0005858000000000 ] - [ 0.0000201500000000, -0.0022370700000000, 0.0009817600000000 ] - [ 0.0000198500000000, -0.0022044800000000, 0.0009684800000000 ] - [ -0.0000399600000000, -0.0022202700000000, 0.0009751800000000 ] - [ 0.0000153900000000, -0.0029395400000000, 0.0000119100000000 ] - [ 0.0000148700000000, -0.0028678200000000, -0.0000126500000000 ] - [ 0.0000124900000000, -0.0029039600000000, -0.0000010600000000 ] - [ -0.0000087700000000, 0.0022208700000000, -0.0009742000000000 ] - [ 0.0000133500000000, 0.0022102600000000, -0.0009181600000000 ] - [ 0.0000136000000000, 0.0022301600000000, -0.0010282700000000 ] - [ -0.0007439500000000, 0.0022118700000000, 0.0009047100000000 ] - [ -0.0001876900000000, 0.0022419800000000, 0.0007559000000000 ] - [ -0.0001913900000000, 0.0021976800000000, 0.0011888000000000 ] - [ -0.0003412500000000, 0.0028757000000000, 0.0000482400000000 ] - [ -0.0002107500000000, 0.0027658000000000, 0.0001867000000000 ] - [ -0.0002142200000000, 0.0030451800000000, -0.0001855800000000 ] - [ 0.0002088800000000, -0.0025911800000000, -0.0012021600000000 ] - [ 0.0002079600000000, -0.0018463500000000, -0.0007416400000000 ] - [ -0.0014265700000000, -0.0022208700000000, -0.0009753300000000 ] - [ 0.0000122500000000, -0.0022192700000000, 0.0009744700000000 ] - [ -0.0000185100000000, -0.0021815700000000, 0.0009836000000000 ] - [ -0.0000189900000000, -0.0022576300000000, 0.0009647300000000 ] - [ 0.0000093600000000, -0.0029025900000000, 0.0000019300000000 ] - [ -0.0000052700000000, -0.0028452500000000, -0.0000554700000000 ] - [ -0.0000051500000000, -0.0029646500000000, 0.0000551100000000 ] - [ 0.0000027300000000, 0.0022345000000000, -0.0009800100000000 ] - [ 0.0000026800000000, 0.0022066400000000, -0.0009690500000000 ] - [ 0.0000166600000000, 0.0022212400000000, -0.0009739800000000 ] - [ -0.0000070100000000, 0.0022718900000000, 0.0009792500000000 ] - [ -0.0000062800000000, 0.0021686400000000, 0.0009679700000000 ] - [ -0.0000310300000000, 0.0022205000000000, 0.0009741800000000 ] - [ 0.0000225300000000, 0.0029147000000000, -0.0000248800000000 ] - [ 0.0000229000000000, 0.0028860400000000, 0.0000254600000000 ] - [ -0.0000604000000000, 0.0029026100000000, 0.0000011000000000 ] - [ -0.0001343900000000, -0.0021812900000000, -0.0009930700000000 ] - [ -0.0002171300000000, -0.0019699500000000, -0.0012246100000000 ] - [ -0.0002195100000000, -0.0024650400000000, -0.0007225700000000 ] - [ -0.0519040500000000, 0.0004706000000000, 0.0007277000000000 ] - [ 0.0047310900000000, 0.0014898000000000, 0.0008677200000000 ] - [ 0.0046737400000000, 0.0006739300000000, 0.0006075100000000 ] - [ -0.0000663900000000, -0.0042217100000000, -0.0011839500000000 ] - [ -0.0000663800000000, -0.0041819300000000, -0.0014180400000000 ] - [ 0.0001044600000000, -0.0042012300000000, -0.0013009300000000 ] - [ -0.0001466300000000, -0.0011673000000000, -0.0007314200000000 ] - [ -0.0001453900000000, -0.0009908000000000, -0.0007430100000000 ] - [ 0.0006498200000000, -0.0010799900000000, -0.0007385400000000 ] - [ 0.0006121800000000, -0.0043257300000000, 0.0021265900000000 ] - [ 0.0006114000000000, -0.0011513900000000, -0.0021347600000000 ] - [ 0.0001229600000000, -0.0027399200000000, 0.0000002500000000 ] - [ -0.0015622200000000, 0.0042076000000000, -0.0012981600000000 ] - [ 0.0038895600000000, 0.0060751500000000, -0.0004884500000000 ] - [ 0.0038880500000000, 0.0023284400000000, -0.0021106100000000 ] - [ -0.0001787600000000, 0.0041998200000000, 0.0013014600000000 ] - [ 0.0001583300000000, 0.0042432900000000, 0.0012535900000000 ] - [ 0.0001558700000000, 0.0041583100000000, 0.0013489700000000 ] - [ -0.0000233900000000, -0.0010813100000000, 0.0007118800000000 ] - [ -0.0000235300000000, -0.0010782200000000, 0.0007594600000000 ] - [ 0.0001202000000000, -0.0010796800000000, 0.0007366800000000 ] - [ -0.0001191900000000, 0.0027389900000000, -0.0000011000000000 ] - [ 0.0001444000000000, 0.0028145700000000, 0.0002694600000000 ] - [ 0.0001441200000000, 0.0026637800000000, -0.0002736500000000 ] - [ 0.0012402500000000, -0.0061983200000000, -0.0012014600000000 ] - [ 0.0012319300000000, -0.0022128100000000, 0.0038073700000000 ] - [ 0.0003401000000000, -0.0042024500000000, 0.0013022000000000 ] - [ -0.0001113400000000, 0.0010796100000000, -0.0007345800000000 ] - [ 0.0000912400000000, 0.0010725300000000, -0.0009038900000000 ] - [ 0.0000915600000000, 0.0010874500000000, -0.0005711300000000 ] - [ -0.0000283800000000, 0.0011009400000000, 0.0007941800000000 ] - [ -0.0000290300000000, 0.0010624300000000, 0.0006825300000000 ] - [ 0.0006862500000000, 0.0010808900000000, 0.0007379800000000 ] - [ -0.0000623100000000, -0.0042011900000000, -0.0013006700000000 ] - [ 0.0000315400000000, -0.0042235500000000, -0.0013197800000000 ] - [ 0.0000316800000000, -0.0041792100000000, -0.0012816800000000 ] - [ -0.0003342500000000, -0.0010739700000000, -0.0007464500000000 ] - [ 0.0000828700000000, -0.0012081300000000, -0.0006342100000000 ] - [ 0.0000837700000000, -0.0009526600000000, -0.0008409200000000 ] - [ -0.0001025100000000, -0.0027381900000000, 0.0000025600000000 ] - [ 0.0000687000000000, -0.0027954700000000, -0.0000242100000000 ] - [ 0.0000715900000000, -0.0026799800000000, 0.0000289500000000 ] - [ 0.0013521200000000, 0.0061987500000000, -0.0016385000000000 ] - [ 0.0013391500000000, 0.0022109500000000, -0.0009661300000000 ] - [ 0.0002147300000000, 0.0042019900000000, -0.0013008100000000 ] - [ -0.0000201700000000, 0.0043318600000000, 0.0014482500000000 ] - [ -0.0000189000000000, 0.0040707600000000, 0.0011556400000000 ] - [ 0.0000570500000000, 0.0042015500000000, 0.0013012500000000 ] - [ -0.0000448200000000, -0.0010797500000000, 0.0007346700000000 ] - [ 0.0000263800000000, -0.0011120800000000, 0.0007215500000000 ] - [ 0.0000269000000000, -0.0010480600000000, 0.0007514400000000 ] - [ -0.0000379800000000, 0.0027778200000000, -0.0000618800000000 ] - [ -0.0000389000000000, 0.0027042200000000, 0.0000543000000000 ] - [ 0.0000643300000000, 0.0027396300000000, -0.0000020800000000 ] - [ -0.0001421900000000, -0.0042014900000000, 0.0013004100000000 ] - [ 0.0001516200000000, -0.0042735800000000, 0.0013884800000000 ] - [ 0.0001536500000000, -0.0041293900000000, 0.0012129900000000 ] - [ -0.0000245600000000, 0.0010684700000000, -0.0007257400000000 ] - [ -0.0000249400000000, 0.0010957400000000, -0.0007467500000000 ] - [ 0.0000759800000000, 0.0010803900000000, -0.0007375100000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0009603100000000, 0.0001862000000000 ] - [ -0.0000170500000000, -0.0007639800000000, 0.0000411900000000 ] - [ 0.0000170500000000, -0.0007639800000000, 0.0000411900000000 ] - [ -0.0000941300000000, 0.0007527100000000, 0.0001168400000000 ] - [ 0.0000941300000000, 0.0007527100000000, 0.0001168400000000 ] - [ 0.0000000000000000, 0.0006412300000000, 0.0000135400000000 ] - [ 0.0022607400000000, 0.0010955400000000, 0.0018103800000000 ] - [ -0.0022607400000000, 0.0010955400000000, 0.0018103800000000 ] - [ 0.0000000000000000, -0.0004376700000000, -0.0000602800000000 ] - [ 0.0000000000000000, 0.0003127600000000, -0.0000140000000000 ] - [ 0.0000164800000000, 0.0003547800000000, -0.0000217300000000 ] - [ -0.0000164800000000, 0.0003547800000000, -0.0000217300000000 ] - [ 0.0000000000000000, 0.0030578700000000, -0.0003549200000000 ] - [ -0.0000743100000000, 0.0024257700000000, -0.0001996900000000 ] - [ 0.0000743100000000, 0.0024257700000000, -0.0001996900000000 ] - [ 0.0001626700000000, -0.0016786000000000, 0.0017910500000000 ] - [ -0.0001626700000000, -0.0016786000000000, 0.0017910500000000 ] - [ 0.0000000000000000, -0.0019755900000000, 0.0006739900000000 ] - [ -0.0137817200000000, 0.0154996300000000, 0.0021957100000000 ] - [ 0.0137817200000000, 0.0154996300000000, 0.0021957100000000 ] - [ 0.0000000000000000, -0.0007186100000000, -0.0003380500000000 ] - [ 0.0000000000000000, 0.0022266400000000, -0.0006025500000000 ] - [ -0.0000232500000000, 0.0022079800000000, -0.0005984300000000 ] - [ 0.0000232500000000, 0.0022079800000000, -0.0005984300000000 ] - [ -0.0008796300000000, 0.0017911500000000, 0.0016402400000000 ] - [ 0.0008796300000000, 0.0017911500000000, 0.0016402400000000 ] - [ 0.0000000000000000, 0.0023293800000000, 0.0006672400000000 ] - [ 0.0000000000000000, -0.0023960100000000, 0.0004586100000000 ] - [ 0.0000751200000000, -0.0023678800000000, 0.0005341300000000 ] - [ -0.0000751200000000, -0.0023678800000000, 0.0005341300000000 ] - [ 0.0000000000000000, -0.0036021300000000, -0.0011671400000000 ] - [ 0.0008902700000000, -0.0031533100000000, -0.0011189400000000 ] - [ -0.0008902700000000, -0.0031533100000000, -0.0011189400000000 ] - [ -0.0002262300000000, 0.0022440000000000, -0.0002221300000000 ] - [ 0.0002262300000000, 0.0022440000000000, -0.0002221300000000 ] - [ 0.0000000000000000, 0.0022522700000000, -0.0005107400000000 ] - [ -0.0000093100000000, -0.0022961700000000, 0.0009319100000000 ] - [ 0.0000093100000000, -0.0022961700000000, 0.0009319100000000 ] - [ 0.0000000000000000, -0.0023555300000000, 0.0009329500000000 ] - [ -0.0000311600000000, -0.0028886100000000, -0.0000239100000000 ] - [ 0.0000311600000000, -0.0028886100000000, -0.0000239100000000 ] - [ 0.0000000000000000, -0.0028964300000000, 0.0000071600000000 ] - [ 0.0000000000000000, 0.0023312000000000, -0.0009906900000000 ] - [ 0.0000147700000000, 0.0022646400000000, -0.0009620500000000 ] - [ -0.0000147700000000, 0.0022646400000000, -0.0009620500000000 ] - [ 0.0000000000000000, 0.0019363400000000, 0.0072015900000000 ] - [ 0.0001368800000000, 0.0022777200000000, 0.0010632500000000 ] - [ -0.0001368800000000, 0.0022777200000000, 0.0010632500000000 ] - [ 0.0000000000000000, 0.0053354900000000, -0.0019016500000000 ] - [ -0.0000398000000000, 0.0031574200000000, -0.0001374600000000 ] - [ 0.0000398000000000, 0.0031574200000000, -0.0001374600000000 ] - [ 0.0004025000000000, -0.0025346100000000, -0.0008641500000000 ] - [ -0.0004025000000000, -0.0025346100000000, -0.0008641500000000 ] - [ 0.0000000000000000, -0.0029760000000000, -0.0012258000000000 ] - [ 0.0000000000000000, -0.0020714000000000, 0.0011523100000000 ] - [ 0.0000215300000000, -0.0021465900000000, 0.0010060500000000 ] - [ -0.0000215300000000, -0.0021465900000000, 0.0010060500000000 ] - [ 0.0000000000000000, -0.0033179100000000, 0.0009217400000000 ] - [ 0.0000187400000000, -0.0028319500000000, -0.0000025600000000 ] - [ -0.0000187400000000, -0.0028319500000000, -0.0000025600000000 ] - [ -0.0000033000000000, 0.0021790200000000, -0.0009908600000000 ] - [ 0.0000033000000000, 0.0021790200000000, -0.0009908600000000 ] - [ 0.0000000000000000, 0.0021531300000000, -0.0009808700000000 ] - [ -0.0000012600000000, 0.0021485600000000, 0.0009584900000000 ] - [ 0.0000012600000000, 0.0021485600000000, 0.0009584900000000 ] - [ 0.0000000000000000, 0.0019298500000000, 0.0009227900000000 ] - [ -0.0000337400000000, 0.0027956600000000, 0.0000532000000000 ] - [ 0.0000337400000000, 0.0027956600000000, 0.0000532000000000 ] - [ 0.0000000000000000, 0.0027972200000000, 0.0000610300000000 ] - [ 0.0000000000000000, 0.0066827500000000, -0.0064064000000000 ] - [ 0.0002875500000000, -0.0020017700000000, -0.0009482300000000 ] - [ -0.0002875500000000, -0.0020017700000000, -0.0009482300000000 ] - [ 0.0000000000000000, -0.0737313400000000, -0.0040515500000000 ] - [ -0.0004094600000000, 0.0000832200000000, 0.0006636900000000 ] - [ 0.0004094600000000, 0.0000832200000000, 0.0006636900000000 ] - [ 0.0000422500000000, -0.0043410700000000, -0.0014159800000000 ] - [ -0.0000422500000000, -0.0043410700000000, -0.0014159800000000 ] - [ 0.0000000000000000, -0.0043103500000000, -0.0013301100000000 ] - [ -0.0000884800000000, -0.0009413100000000, -0.0004839500000000 ] - [ 0.0000884800000000, -0.0009413100000000, -0.0004839500000000 ] - [ 0.0000000000000000, -0.0006865300000000, -0.0002071400000000 ] - [ -0.0022523900000000, -0.0003581800000000, -0.0030138800000000 ] - [ 0.0022523900000000, -0.0003581800000000, -0.0030138800000000 ] - [ 0.0000000000000000, -0.0029949000000000, -0.0000400600000000 ] - [ 0.0000000000000000, 0.0083518500000000, 0.0003938900000000 ] - [ 0.0026124800000000, 0.0060651100000000, -0.0006081600000000 ] - [ -0.0026124800000000, 0.0060651100000000, -0.0006081600000000 ] - [ 0.0000000000000000, 0.0042396800000000, 0.0012422100000000 ] - [ 0.0001968000000000, 0.0042833600000000, 0.0011557100000000 ] - [ -0.0001968000000000, 0.0042833600000000, 0.0011557100000000 ] - [ -0.0000012500000000, -0.0009941000000000, 0.0007605400000000 ] - [ 0.0000012500000000, -0.0009941000000000, 0.0007605400000000 ] - [ 0.0000000000000000, -0.0009399600000000, 0.0006672700000000 ] - [ 0.0000000000000000, 0.0027170700000000, 0.0002034600000000 ] - [ 0.0000685800000000, 0.0027518800000000, 0.0001963900000000 ] - [ -0.0000685800000000, 0.0027518800000000, 0.0001963900000000 ] - [ -0.0009921900000000, -0.0038549400000000, 0.0028345800000000 ] - [ 0.0009921900000000, -0.0038549400000000, 0.0028345800000000 ] - [ 0.0000000000000000, -0.0044539800000000, 0.0013431000000000 ] - [ 0.0000000000000000, 0.0004335000000000, -0.0009589900000000 ] - [ 0.0000068500000000, 0.0008395300000000, -0.0007631900000000 ] - [ -0.0000068500000000, 0.0008395300000000, -0.0007631900000000 ] - [ -0.0000198900000000, 0.0019724000000000, 0.0007414700000000 ] - [ 0.0000198900000000, 0.0019724000000000, 0.0007414700000000 ] - [ 0.0000000000000000, 0.0022193800000000, 0.0007674400000000 ] - [ 0.0000000000000000, -0.0041208000000000, -0.0012786200000000 ] - [ -0.0000835800000000, -0.0041063500000000, -0.0013283300000000 ] - [ 0.0000835800000000, -0.0041063500000000, -0.0013283300000000 ] - [ 0.0000000000000000, 0.0007723800000000, -0.0039724600000000 ] - [ -0.0001271900000000, -0.0012851800000000, -0.0007567600000000 ] - [ 0.0001271900000000, -0.0012851800000000, -0.0007567600000000 ] - [ 0.0000000000000000, -0.0024399500000000, 0.0001285800000000 ] - [ -0.0000573600000000, -0.0024295400000000, 0.0000910700000000 ] - [ 0.0000573600000000, -0.0024295400000000, 0.0000910700000000 ] - [ 0.0035427200000000, 0.0090025600000000, -0.0020976400000000 ] - [ -0.0035427200000000, 0.0090025600000000, -0.0020976400000000 ] - [ 0.0000000000000000, 0.0041467700000000, -0.0012639900000000 ] - [ 0.0000237600000000, 0.0042726100000000, 0.0013940400000000 ] - [ -0.0000237600000000, 0.0042726100000000, 0.0013940400000000 ] - [ 0.0000000000000000, 0.0041804600000000, 0.0012948900000000 ] - [ 0.0000000000000000, -0.0010614800000000, 0.0003136500000000 ] - [ -0.0000319600000000, -0.0011718100000000, 0.0006602100000000 ] - [ 0.0000319600000000, -0.0011718100000000, 0.0006602100000000 ] - [ 0.0002040300000000, 0.0029789400000000, -0.0005969400000000 ] - [ -0.0002040300000000, 0.0029789400000000, -0.0005969400000000 ] - [ 0.0000000000000000, 0.0026647400000000, -0.0000894100000000 ] - [ 0.0000000000000000, -0.0039367900000000, 0.0012018900000000 ] - [ -0.0003695900000000, -0.0038285700000000, 0.0010906000000000 ] - [ 0.0003695900000000, -0.0038285700000000, 0.0010906000000000 ] - [ 0.0000148300000000, 0.0012286700000000, -0.0007077000000000 ] - [ -0.0000148300000000, 0.0012286700000000, -0.0007077000000000 ] - [ 0.0000000000000000, 0.0012750600000000, -0.0007463500000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0000774100000000, -0.0001798900000000 ] - [ 0.0000177700000000, -0.0002758300000000, -0.0000354500000000 ] - [ -0.0000177700000000, -0.0002758300000000, -0.0000354500000000 ] - [ 0.0000954000000000, 0.0002863100000000, -0.0001194400000000 ] - [ -0.0000954000000000, 0.0002863100000000, -0.0001194400000000 ] - [ 0.0000000000000000, 0.0004000600000000, -0.0000170300000000 ] - [ -0.0023023100000000, -0.0021506000000000, -0.0018512000000000 ] - [ 0.0023023100000000, -0.0021506000000000, -0.0018512000000000 ] - [ 0.0000000000000000, -0.0006046600000000, 0.0000628000000000 ] - [ 0.0000000000000000, 0.0007286500000000, 0.0000110100000000 ] - [ -0.0000163900000000, 0.0006866500000000, 0.0000178100000000 ] - [ 0.0000163900000000, 0.0006866500000000, 0.0000178100000000 ] - [ 0.0000000000000000, 0.0013953700000000, 0.0015164400000000 ] - [ 0.0000789700000000, 0.0020202500000000, 0.0013713800000000 ] - [ -0.0000789700000000, 0.0020202500000000, 0.0013713800000000 ] - [ -0.0001660500000000, -0.0027598000000000, -0.0006264400000000 ] - [ 0.0001660500000000, -0.0027598000000000, -0.0006264400000000 ] - [ 0.0000000000000000, -0.0024616100000000, 0.0004983900000000 ] - [ 0.0132259700000000, -0.0195623700000000, -0.0032544500000000 ] - [ -0.0132259700000000, -0.0195623700000000, -0.0032544500000000 ] - [ 0.0000000000000000, -0.0037186400000000, -0.0008331900000000 ] - [ 0.0000000000000000, 0.0022112500000000, -0.0005724600000000 ] - [ 0.0000236400000000, 0.0022303900000000, -0.0005743000000000 ] - [ -0.0000236400000000, 0.0022303900000000, -0.0005743000000000 ] - [ 0.0008682000000000, 0.0026371700000000, -0.0004623400000000 ] - [ -0.0008682000000000, 0.0026371700000000, -0.0004623400000000 ] - [ 0.0000000000000000, 0.0021082400000000, 0.0005056700000000 ] - [ 0.0000000000000000, -0.0020418800000000, 0.0007141200000000 ] - [ -0.0000766800000000, -0.0020690700000000, 0.0006378700000000 ] - [ 0.0000766800000000, -0.0020690700000000, 0.0006378700000000 ] - [ 0.0000000000000000, -0.0008521100000000, -0.0000094400000000 ] - [ -0.0008891000000000, -0.0012891100000000, -0.0000539000000000 ] - [ 0.0008891000000000, -0.0012891100000000, -0.0000539000000000 ] - [ 0.0002262600000000, 0.0021932600000000, -0.0009511600000000 ] - [ -0.0002262600000000, 0.0021932600000000, -0.0009511600000000 ] - [ 0.0000000000000000, 0.0021853500000000, -0.0006634700000000 ] - [ 0.0000089500000000, -0.0021436200000000, 0.0010195100000000 ] - [ -0.0000089500000000, -0.0021436200000000, 0.0010195100000000 ] - [ 0.0000000000000000, -0.0020839500000000, 0.0010204400000000 ] - [ 0.0000316300000000, -0.0029104000000000, 0.0000227900000000 ] - [ -0.0000316300000000, -0.0029104000000000, 0.0000227900000000 ] - [ 0.0000000000000000, -0.0029059900000000, -0.0000097300000000 ] - [ 0.0000000000000000, 0.0021090500000000, -0.0009634700000000 ] - [ -0.0000144400000000, 0.0021767300000000, -0.0009899500000000 ] - [ 0.0000144400000000, 0.0021767300000000, -0.0009899500000000 ] - [ 0.0000000000000000, 0.0024260200000000, -0.0053298700000000 ] - [ -0.0001348500000000, 0.0021622400000000, 0.0008887200000000 ] - [ 0.0001348500000000, 0.0021622400000000, 0.0008887200000000 ] - [ 0.0000000000000000, 0.0005272000000000, 0.0017513000000000 ] - [ 0.0000419300000000, 0.0026407600000000, 0.0001371200000000 ] - [ -0.0000419300000000, 0.0026407600000000, 0.0001371200000000 ] - [ -0.0003979700000000, -0.0019003100000000, -0.0010827000000000 ] - [ 0.0003979700000000, -0.0019003100000000, -0.0010827000000000 ] - [ 0.0000000000000000, -0.0014591600000000, -0.0007258100000000 ] - [ 0.0000000000000000, -0.0023699300000000, 0.0008012200000000 ] - [ -0.0000212400000000, -0.0022948200000000, 0.0009460700000000 ] - [ 0.0000212400000000, -0.0022948200000000, 0.0009460700000000 ] - [ 0.0000000000000000, -0.0024755300000000, -0.0009246300000000 ] - [ -0.0000185700000000, -0.0029668300000000, 0.0000023500000000 ] - [ 0.0000185700000000, -0.0029668300000000, 0.0000023500000000 ] - [ 0.0000038000000000, 0.0022620900000000, -0.0009596800000000 ] - [ -0.0000038000000000, 0.0022620900000000, -0.0009596800000000 ] - [ 0.0000000000000000, 0.0022877600000000, -0.0009704400000000 ] - [ 0.0000003900000000, 0.0022905400000000, 0.0009898700000000 ] - [ -0.0000003900000000, 0.0022905400000000, 0.0009898700000000 ] - [ 0.0000000000000000, 0.0025087900000000, 0.0010291600000000 ] - [ 0.0000335400000000, 0.0029991500000000, -0.0000518000000000 ] - [ -0.0000335400000000, 0.0029991500000000, -0.0000518000000000 ] - [ 0.0000000000000000, 0.0029952300000000, -0.0000590600000000 ] - [ 0.0000000000000000, -0.0117590800000000, 0.0050224400000000 ] - [ -0.0002872300000000, -0.0024385600000000, -0.0010042500000000 ] - [ 0.0002872300000000, -0.0024385600000000, -0.0010042500000000 ] - [ 0.0000000000000000, 0.0758608800000000, 0.0050235700000000 ] - [ 0.0004076500000000, 0.0020670200000000, 0.0008031500000000 ] - [ -0.0004076500000000, 0.0020670200000000, 0.0008031500000000 ] - [ -0.0000426900000000, -0.0040669100000000, -0.0011971800000000 ] - [ 0.0000426900000000, -0.0040669100000000, -0.0011971800000000 ] - [ 0.0000000000000000, -0.0040975200000000, -0.0012839000000000 ] - [ 0.0000866300000000, -0.0012137200000000, -0.0009812700000000 ] - [ -0.0000866300000000, -0.0012137200000000, -0.0009812700000000 ] - [ 0.0000000000000000, -0.0014706000000000, -0.0012605500000000 ] - [ 0.0022405600000000, -0.0051130500000000, 0.0030057700000000 ] - [ -0.0022405600000000, -0.0051130500000000, 0.0030057700000000 ] - [ 0.0000000000000000, -0.0024688800000000, 0.0000417600000000 ] - [ 0.0000000000000000, 0.0001419500000000, -0.0029779300000000 ] - [ -0.0026088700000000, 0.0023522500000000, -0.0020052300000000 ] - [ 0.0026088700000000, 0.0023522500000000, -0.0020052300000000 ] - [ 0.0000000000000000, 0.0041643300000000, 0.0013743000000000 ] - [ -0.0001945200000000, 0.0041234400000000, 0.0014599800000000 ] - [ 0.0001945200000000, 0.0041234400000000, 0.0014599800000000 ] - [ 0.0000017000000000, -0.0011582300000000, 0.0007051100000000 ] - [ -0.0000017000000000, -0.0011582300000000, 0.0007051100000000 ] - [ 0.0000000000000000, -0.0012132200000000, 0.0008019200000000 ] - [ 0.0000000000000000, 0.0027489600000000, -0.0002054500000000 ] - [ -0.0000665500000000, 0.0027148400000000, -0.0002010600000000 ] - [ 0.0000665500000000, 0.0027148400000000, -0.0002010600000000 ] - [ 0.0010056800000000, -0.0045772500000000, -0.0002303100000000 ] - [ -0.0010056800000000, -0.0045772500000000, -0.0002303100000000 ] - [ 0.0000000000000000, -0.0039545400000000, 0.0012722800000000 ] - [ 0.0000000000000000, 0.0017199400000000, -0.0005063100000000 ] - [ -0.0000075400000000, 0.0013123800000000, -0.0007052700000000 ] - [ 0.0000075400000000, 0.0013123800000000, -0.0007052700000000 ] - [ 0.0000197700000000, 0.0001824600000000, 0.0007257500000000 ] - [ -0.0000197700000000, 0.0001824600000000, 0.0007257500000000 ] - [ 0.0000000000000000, -0.0000713300000000, 0.0006995300000000 ] - [ 0.0000000000000000, -0.0042881900000000, -0.0013350700000000 ] - [ 0.0000831600000000, -0.0043029200000000, -0.0012850800000000 ] - [ -0.0000831600000000, -0.0043029200000000, -0.0012850800000000 ] - [ 0.0000000000000000, -0.0029272900000000, 0.0025278900000000 ] - [ 0.0001263300000000, -0.0008674800000000, -0.0007095800000000 ] - [ -0.0001263300000000, -0.0008674800000000, -0.0007095800000000 ] - [ 0.0000000000000000, -0.0030215900000000, -0.0001243700000000 ] - [ 0.0000556000000000, -0.0030322600000000, -0.0000880600000000 ] - [ -0.0000556000000000, -0.0030322600000000, -0.0000880600000000 ] - [ -0.0035884900000000, -0.0006406300000000, -0.0005065900000000 ] - [ 0.0035884900000000, -0.0006406300000000, -0.0005065900000000 ] - [ 0.0000000000000000, 0.0042632400000000, -0.0013505200000000 ] - [ -0.0000270000000000, 0.0041338900000000, 0.0012216500000000 ] - [ 0.0000270000000000, 0.0041338900000000, 0.0012216500000000 ] - [ 0.0000000000000000, 0.0042296900000000, 0.0013205400000000 ] - [ 0.0000000000000000, -0.0010892600000000, 0.0011464600000000 ] - [ 0.0000318800000000, -0.0009797300000000, 0.0008065500000000 ] - [ -0.0000318800000000, -0.0009797300000000, 0.0008065500000000 ] - [ -0.0002070400000000, 0.0024900300000000, 0.0005920500000000 ] - [ 0.0002070400000000, 0.0024900300000000, 0.0005920500000000 ] - [ 0.0000000000000000, 0.0028064700000000, 0.0000859100000000 ] - [ 0.0000000000000000, -0.0044689000000000, 0.0014128900000000 ] - [ 0.0003692100000000, -0.0045791700000000, 0.0015258900000000 ] - [ -0.0003692100000000, -0.0045791700000000, 0.0015258900000000 ] - [ -0.0000148900000000, 0.0009249200000000, -0.0007600300000000 ] - [ 0.0000148900000000, 0.0009249200000000, -0.0007600300000000 ] - [ 0.0000000000000000, 0.0008746100000000, -0.0007227700000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000577200000000, 0.0002533400000000 ] - [ 0.0001201100000000, -0.0003311400000000, 0.0002266100000000 ] - [ -0.0001201100000000, -0.0003311400000000, 0.0002266100000000 ] - [ 0.0002110400000000, 0.0005083100000000, -0.0005754700000000 ] - [ -0.0002110400000000, 0.0005083100000000, -0.0005754700000000 ] - [ 0.0000000000000000, 0.0005586800000000, -0.0001295800000000 ] - [ 0.0030117900000000, 0.0015568800000000, 0.0031087500000000 ] - [ -0.0030117900000000, 0.0015568800000000, 0.0031087500000000 ] - [ 0.0000000000000000, -0.0005832300000000, 0.0001024000000000 ] - [ 0.0000000000000000, 0.0006315400000000, -0.0001378900000000 ] - [ 0.0000089100000000, 0.0004990600000000, -0.0001258600000000 ] - [ -0.0000089100000000, 0.0004990600000000, -0.0001258600000000 ] - [ 0.0000000000000000, 0.0014301000000000, 0.0008445900000000 ] - [ -0.0011282300000000, 0.0012556200000000, 0.0002478200000000 ] - [ 0.0011282300000000, 0.0012556200000000, 0.0002478200000000 ] - [ -0.0006632700000000, -0.0024057300000000, -0.0013306300000000 ] - [ 0.0006632700000000, -0.0024057300000000, -0.0013306300000000 ] - [ 0.0000000000000000, -0.0021969300000000, 0.0004975600000000 ] - [ -0.0027210700000000, 0.0005347300000000, 0.0043207700000000 ] - [ 0.0027210700000000, 0.0005347300000000, 0.0043207700000000 ] - [ 0.0000000000000000, -0.0017938000000000, 0.0000165100000000 ] - [ 0.0000000000000000, 0.0023508900000000, -0.0012127200000000 ] - [ 0.0000993500000000, 0.0023209200000000, -0.0013383800000000 ] - [ -0.0000993500000000, 0.0023209200000000, -0.0013383800000000 ] - [ 0.0009699800000000, 0.0027989300000000, 0.0008193900000000 ] - [ -0.0009699800000000, 0.0027989300000000, 0.0008193900000000 ] - [ 0.0000000000000000, 0.0022068700000000, 0.0006171600000000 ] - [ 0.0000000000000000, -0.0023454500000000, 0.0005101400000000 ] - [ 0.0000806000000000, -0.0022799300000000, 0.0005121000000000 ] - [ -0.0000806000000000, -0.0022799300000000, 0.0005121000000000 ] - [ 0.0000000000000000, -0.0020758700000000, -0.0000205900000000 ] - [ -0.0002366900000000, -0.0022106600000000, -0.0000865600000000 ] - [ 0.0002366900000000, -0.0022106600000000, -0.0000865600000000 ] - [ 0.0000482900000000, 0.0020543100000000, -0.0014200600000000 ] - [ -0.0000482900000000, 0.0020543100000000, -0.0014200600000000 ] - [ 0.0000000000000000, 0.0021501800000000, -0.0008502800000000 ] - [ -0.0000086900000000, -0.0021618400000000, 0.0009262300000000 ] - [ 0.0000086900000000, -0.0021618400000000, 0.0009262300000000 ] - [ 0.0000000000000000, -0.0020713800000000, 0.0008414100000000 ] - [ -0.0000072800000000, -0.0029503000000000, -0.0000269200000000 ] - [ 0.0000072800000000, -0.0029503000000000, -0.0000269200000000 ] - [ 0.0000000000000000, -0.0031433800000000, -0.0000042600000000 ] - [ 0.0000000000000000, 0.0020050300000000, -0.0015619400000000 ] - [ -0.0000034500000000, 0.0021626400000000, -0.0010642600000000 ] - [ 0.0000034500000000, 0.0021626400000000, -0.0010642600000000 ] - [ 0.0000000000000000, 0.0069279900000000, 0.0244307100000000 ] - [ -0.0002696200000000, 0.0023798400000000, 0.0012001000000000 ] - [ 0.0002696200000000, 0.0023798400000000, 0.0012001000000000 ] - [ 0.0000000000000000, 0.0059120800000000, 0.0005532900000000 ] - [ 0.0003844600000000, 0.0026482300000000, 0.0000610300000000 ] - [ -0.0003844600000000, 0.0026482300000000, 0.0000610300000000 ] - [ 0.0000055300000000, -0.0021909300000000, -0.0008960900000000 ] - [ -0.0000055300000000, -0.0021909300000000, -0.0008960900000000 ] - [ 0.0000000000000000, -0.0023318100000000, -0.0010479100000000 ] - [ 0.0000000000000000, -0.0023780400000000, 0.0006706500000000 ] - [ 0.0000277000000000, -0.0022661700000000, 0.0008700800000000 ] - [ -0.0000277000000000, -0.0022661700000000, 0.0008700800000000 ] - [ 0.0000000000000000, -0.0020667900000000, -0.0014099800000000 ] - [ -0.0000493800000000, -0.0030228800000000, -0.0000566500000000 ] - [ 0.0000493800000000, -0.0030228800000000, -0.0000566500000000 ] - [ 0.0000066000000000, 0.0022124500000000, -0.0010106600000000 ] - [ -0.0000066000000000, 0.0022124500000000, -0.0010106600000000 ] - [ 0.0000000000000000, 0.0022060400000000, -0.0010547000000000 ] - [ 0.0000081700000000, 0.0021540300000000, 0.0010510800000000 ] - [ -0.0000081700000000, 0.0021540300000000, 0.0010510800000000 ] - [ 0.0000000000000000, 0.0021710300000000, 0.0010950000000000 ] - [ -0.0000326200000000, 0.0028126700000000, 0.0000782100000000 ] - [ 0.0000326200000000, 0.0028126700000000, 0.0000782100000000 ] - [ 0.0000000000000000, 0.0027955900000000, 0.0000505000000000 ] - [ 0.0000000000000000, -0.0103367000000000, 0.0036893000000000 ] - [ -0.0000597200000000, -0.0023016100000000, -0.0009269800000000 ] - [ 0.0000597200000000, -0.0023016100000000, -0.0009269800000000 ] - [ 0.0000000000000000, -0.0034516400000000, -0.0619816000000000 ] - [ -0.0001327000000000, 0.0010050800000000, 0.0001279000000000 ] - [ 0.0001327000000000, 0.0010050800000000, 0.0001279000000000 ] - [ 0.0001280100000000, -0.0043563600000000, -0.0007956800000000 ] - [ -0.0001280100000000, -0.0043563600000000, -0.0007956800000000 ] - [ 0.0000000000000000, -0.0042552300000000, -0.0010816300000000 ] - [ 0.0000079500000000, -0.0008233500000000, -0.0007386900000000 ] - [ -0.0000079500000000, -0.0008233500000000, -0.0007386900000000 ] - [ 0.0000000000000000, -0.0005439900000000, -0.0003268700000000 ] - [ 0.0031015200000000, -0.0071057600000000, 0.0026488900000000 ] - [ -0.0031015200000000, -0.0071057600000000, 0.0026488900000000 ] - [ 0.0000000000000000, -0.0025359100000000, -0.0002999100000000 ] - [ 0.0000000000000000, 0.0047834900000000, -0.0017951000000000 ] - [ 0.0005998900000000, 0.0045250400000000, -0.0013152200000000 ] - [ -0.0005998900000000, 0.0045250400000000, -0.0013152200000000 ] - [ 0.0000000000000000, 0.0039775800000000, 0.0016012100000000 ] - [ -0.0003064500000000, 0.0039646400000000, 0.0017854400000000 ] - [ 0.0003064500000000, 0.0039646400000000, 0.0017854400000000 ] - [ 0.0000232100000000, -0.0011011700000000, 0.0010006800000000 ] - [ -0.0000232100000000, -0.0011011700000000, 0.0010006800000000 ] - [ 0.0000000000000000, -0.0010042400000000, 0.0013520100000000 ] - [ 0.0000000000000000, 0.0028648400000000, 0.0003830300000000 ] - [ 0.0002261200000000, 0.0030314300000000, 0.0007570500000000 ] - [ -0.0002261200000000, 0.0030314300000000, 0.0007570500000000 ] - [ -0.0042569800000000, -0.0000385300000000, 0.0051675000000000 ] - [ 0.0042569800000000, -0.0000385300000000, 0.0051675000000000 ] - [ 0.0000000000000000, -0.0043881400000000, 0.0009890100000000 ] - [ 0.0000000000000000, 0.0012999000000000, 0.0006437400000000 ] - [ -0.0001658600000000, 0.0011023800000000, -0.0004551800000000 ] - [ 0.0001658600000000, 0.0011023800000000, -0.0004551800000000 ] - [ -0.0000547000000000, 0.0010800800000000, 0.0003573000000000 ] - [ 0.0000547000000000, 0.0010800800000000, 0.0003573000000000 ] - [ 0.0000000000000000, 0.0011050200000000, 0.0003848300000000 ] - [ 0.0000000000000000, -0.0042098000000000, -0.0011429500000000 ] - [ 0.0000284200000000, -0.0042063900000000, -0.0011221800000000 ] - [ -0.0000284200000000, -0.0042063900000000, -0.0011221800000000 ] - [ 0.0000000000000000, -0.0043465200000000, 0.0053497900000000 ] - [ 0.0001027400000000, -0.0010960100000000, -0.0008600100000000 ] - [ -0.0001027400000000, -0.0010960100000000, -0.0008600100000000 ] - [ 0.0000000000000000, -0.0024799000000000, -0.0001887300000000 ] - [ -0.0001507300000000, -0.0023976300000000, -0.0001822600000000 ] - [ 0.0001507300000000, -0.0023976300000000, -0.0001822600000000 ] - [ -0.0009083000000000, 0.0031182300000000, -0.0013351300000000 ] - [ 0.0009083000000000, 0.0031182300000000, -0.0013351300000000 ] - [ 0.0000000000000000, 0.0042782600000000, -0.0014421300000000 ] - [ 0.0000152300000000, 0.0043508700000000, 0.0016822100000000 ] - [ -0.0000152300000000, 0.0043508700000000, 0.0016822100000000 ] - [ 0.0000000000000000, 0.0042473200000000, 0.0014209600000000 ] - [ 0.0000000000000000, -0.0006563700000000, 0.0012446900000000 ] - [ 0.0000147400000000, -0.0009989300000000, 0.0009699200000000 ] - [ -0.0000147400000000, -0.0009989300000000, 0.0009699200000000 ] - [ -0.0003418300000000, 0.0021734900000000, 0.0007769900000000 ] - [ 0.0003418300000000, 0.0021734900000000, 0.0007769900000000 ] - [ 0.0000000000000000, 0.0028601800000000, 0.0001805900000000 ] - [ 0.0000000000000000, -0.0042054000000000, 0.0011689800000000 ] - [ 0.0001780900000000, -0.0043040500000000, 0.0012145800000000 ] - [ -0.0001780900000000, -0.0043040500000000, 0.0012145800000000 ] - [ 0.0000100700000000, 0.0010479100000000, -0.0006180600000000 ] - [ -0.0000100700000000, 0.0010479100000000, -0.0006180600000000 ] - [ 0.0000000000000000, 0.0010833400000000, -0.0004620900000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0011015400000000, -0.0002525300000000 ] - [ -0.0001187400000000, -0.0007111300000000, -0.0002257600000000 ] - [ 0.0001187400000000, -0.0007111300000000, -0.0002257600000000 ] - [ -0.0002113600000000, 0.0005341200000000, 0.0005745100000000 ] - [ 0.0002113600000000, 0.0005341200000000, 0.0005745100000000 ] - [ 0.0000000000000000, 0.0004847000000000, 0.0001267000000000 ] - [ -0.0030832800000000, -0.0026550600000000, -0.0031584500000000 ] - [ 0.0030832800000000, -0.0026550600000000, -0.0031584500000000 ] - [ 0.0000000000000000, -0.0004603000000000, -0.0001011100000000 ] - [ 0.0000000000000000, 0.0004118100000000, 0.0001359600000000 ] - [ -0.0000085500000000, 0.0005435300000000, 0.0001227600000000 ] - [ 0.0000085500000000, 0.0005435300000000, 0.0001227600000000 ] - [ 0.0000000000000000, 0.0030230500000000, 0.0003479100000000 ] - [ 0.0011284600000000, 0.0031799100000000, 0.0009332800000000 ] - [ -0.0011284600000000, 0.0031799100000000, 0.0009332800000000 ] - [ 0.0006656300000000, -0.0020319900000000, 0.0025074300000000 ] - [ -0.0006656300000000, -0.0020319900000000, 0.0025074300000000 ] - [ 0.0000000000000000, -0.0022411600000000, 0.0006738700000000 ] - [ 0.0027922500000000, -0.0050595800000000, -0.0055614700000000 ] - [ -0.0027922500000000, -0.0050595800000000, -0.0055614700000000 ] - [ 0.0000000000000000, -0.0026502300000000, -0.0011949300000000 ] - [ 0.0000000000000000, 0.0020841800000000, 0.0000423300000000 ] - [ -0.0001002000000000, 0.0021154800000000, 0.0001670200000000 ] - [ 0.0001002000000000, 0.0021154800000000, 0.0001670200000000 ] - [ -0.0009759800000000, 0.0016318300000000, 0.0003636200000000 ] - [ 0.0009759800000000, 0.0016318300000000, 0.0003636200000000 ] - [ 0.0000000000000000, 0.0022304700000000, 0.0005594700000000 ] - [ 0.0000000000000000, -0.0020909600000000, 0.0006625000000000 ] - [ -0.0000814600000000, -0.0021574900000000, 0.0006604600000000 ] - [ 0.0000814600000000, -0.0021574900000000, 0.0006604600000000 ] - [ 0.0000000000000000, -0.0023666200000000, -0.0011603400000000 ] - [ 0.0002393800000000, -0.0022270400000000, -0.0010920100000000 ] - [ -0.0002393800000000, -0.0022270400000000, -0.0010920100000000 ] - [ -0.0000456100000000, 0.0023843700000000, 0.0002473800000000 ] - [ 0.0000456100000000, 0.0023843700000000, 0.0002473800000000 ] - [ 0.0000000000000000, 0.0022874100000000, -0.0003224000000000 ] - [ 0.0000087600000000, -0.0022758300000000, 0.0010264400000000 ] - [ -0.0000087600000000, -0.0022758300000000, 0.0010264400000000 ] - [ 0.0000000000000000, -0.0023700100000000, 0.0011121700000000 ] - [ 0.0000080600000000, -0.0028587800000000, 0.0000271100000000 ] - [ -0.0000080600000000, -0.0028587800000000, 0.0000271100000000 ] - [ 0.0000000000000000, -0.0026601500000000, 0.0000034200000000 ] - [ 0.0000000000000000, 0.0024395800000000, -0.0003845600000000 ] - [ 0.0000034700000000, 0.0022772300000000, -0.0008869200000000 ] - [ -0.0000034700000000, 0.0022772300000000, -0.0008869200000000 ] - [ 0.0000000000000000, -0.0022184000000000, -0.0208581700000000 ] - [ 0.0002718400000000, 0.0020562700000000, 0.0007475600000000 ] - [ -0.0002718400000000, 0.0020562700000000, 0.0007475600000000 ] - [ 0.0000000000000000, 0.0000770800000000, -0.0008950200000000 ] - [ -0.0003867300000000, 0.0031594100000000, -0.0000625600000000 ] - [ 0.0003867300000000, 0.0031594100000000, -0.0000625600000000 ] - [ -0.0000078800000000, -0.0022431400000000, -0.0010540800000000 ] - [ 0.0000078800000000, -0.0022431400000000, -0.0010540800000000 ] - [ 0.0000000000000000, -0.0020991600000000, -0.0009012800000000 ] - [ 0.0000000000000000, -0.0020635500000000, 0.0012823000000000 ] - [ -0.0000278400000000, -0.0021718800000000, 0.0010820100000000 ] - [ 0.0000278400000000, -0.0021718800000000, 0.0010820100000000 ] - [ 0.0000000000000000, -0.0037320100000000, 0.0014036600000000 ] - [ 0.0000498100000000, -0.0027827400000000, 0.0000578000000000 ] - [ -0.0000498100000000, -0.0027827400000000, 0.0000578000000000 ] - [ -0.0000061700000000, 0.0022251700000000, -0.0009402600000000 ] - [ 0.0000061700000000, 0.0022251700000000, -0.0009402600000000 ] - [ 0.0000000000000000, 0.0022353300000000, -0.0008952900000000 ] - [ -0.0000085000000000, 0.0022839400000000, 0.0008985200000000 ] - [ 0.0000085000000000, 0.0022839400000000, 0.0008985200000000 ] - [ 0.0000000000000000, 0.0022644600000000, 0.0008552000000000 ] - [ 0.0000329200000000, 0.0029904400000000, -0.0000789300000000 ] - [ -0.0000329200000000, 0.0029904400000000, -0.0000789300000000 ] - [ 0.0000000000000000, 0.0029951400000000, -0.0000500500000000 ] - [ 0.0000000000000000, 0.0055700500000000, -0.0055336700000000 ] - [ 0.0000602700000000, -0.0021331900000000, -0.0010217200000000 ] - [ -0.0000602700000000, -0.0021331900000000, -0.0010217200000000 ] - [ 0.0000000000000000, 0.0056265800000000, 0.0621802200000000 ] - [ 0.0001288200000000, 0.0011485300000000, 0.0013459400000000 ] - [ -0.0001288200000000, 0.0011485300000000, 0.0013459400000000 ] - [ -0.0001276800000000, -0.0040503500000000, -0.0018178600000000 ] - [ 0.0001276800000000, -0.0040503500000000, -0.0018178600000000 ] - [ 0.0000000000000000, -0.0041518700000000, -0.0015299000000000 ] - [ -0.0000060100000000, -0.0013291800000000, -0.0007331100000000 ] - [ 0.0000060100000000, -0.0013291800000000, -0.0007331100000000 ] - [ 0.0000000000000000, -0.0016046500000000, -0.0011402900000000 ] - [ -0.0031422600000000, 0.0016861200000000, -0.0026690200000000 ] - [ 0.0031422600000000, 0.0016861200000000, -0.0026690200000000 ] - [ 0.0000000000000000, -0.0029272900000000, 0.0003075200000000 ] - [ 0.0000000000000000, 0.0036064700000000, -0.0008267100000000 ] - [ -0.0006157400000000, 0.0038713300000000, -0.0013010900000000 ] - [ 0.0006157400000000, 0.0038713300000000, -0.0013010900000000 ] - [ 0.0000000000000000, 0.0044307100000000, 0.0010106600000000 ] - [ 0.0003110600000000, 0.0044458100000000, 0.0008251700000000 ] - [ -0.0003110600000000, 0.0044458100000000, 0.0008251700000000 ] - [ -0.0000227700000000, -0.0010503200000000, 0.0004651400000000 ] - [ 0.0000227700000000, -0.0010503200000000, 0.0004651400000000 ] - [ 0.0000000000000000, -0.0011473800000000, 0.0001148000000000 ] - [ 0.0000000000000000, 0.0025993800000000, -0.0003916700000000 ] - [ -0.0002231700000000, 0.0024351000000000, -0.0007619000000000 ] - [ 0.0002231700000000, 0.0024351000000000, -0.0007619000000000 ] - [ 0.0041860000000000, -0.0083187600000000, -0.0024944600000000 ] - [ -0.0041860000000000, -0.0083187600000000, -0.0024944600000000 ] - [ 0.0000000000000000, -0.0040208400000000, 0.0016205600000000 ] - [ 0.0000000000000000, 0.0008528300000000, -0.0021408200000000 ] - [ 0.0001669900000000, 0.0010504700000000, -0.0010146500000000 ] - [ -0.0001669900000000, 0.0010504700000000, -0.0010146500000000 ] - [ 0.0000561800000000, 0.0010712200000000, 0.0011119000000000 ] - [ -0.0000561800000000, 0.0010712200000000, 0.0011119000000000 ] - [ 0.0000000000000000, 0.0010435400000000, 0.0010864200000000 ] - [ 0.0000000000000000, -0.0041970600000000, -0.0014685100000000 ] - [ -0.0000276600000000, -0.0042011600000000, -0.0014890100000000 ] - [ 0.0000276600000000, -0.0042011600000000, -0.0014890100000000 ] - [ 0.0000000000000000, 0.0021487600000000, -0.0067512200000000 ] - [ -0.0001036500000000, -0.0010543700000000, -0.0006093900000000 ] - [ 0.0001036500000000, -0.0010543700000000, -0.0006093900000000 ] - [ 0.0000000000000000, -0.0029851900000000, 0.0001956700000000 ] - [ 0.0001508300000000, -0.0030675600000000, 0.0001891800000000 ] - [ -0.0001508300000000, -0.0030675600000000, 0.0001891800000000 ] - [ 0.0009147300000000, 0.0052956400000000, -0.0012786400000000 ] - [ -0.0009147300000000, 0.0052956400000000, -0.0012786400000000 ] - [ 0.0000000000000000, 0.0041302600000000, -0.0011704900000000 ] - [ -0.0000159800000000, 0.0040560600000000, 0.0009290400000000 ] - [ 0.0000159800000000, 0.0040560600000000, 0.0009290400000000 ] - [ 0.0000000000000000, 0.0041603000000000, 0.0011912100000000 ] - [ 0.0000000000000000, -0.0014973400000000, 0.0002208300000000 ] - [ -0.0000148900000000, -0.0011529600000000, 0.0004957900000000 ] - [ 0.0000148900000000, -0.0011529600000000, 0.0004957900000000 ] - [ 0.0003390100000000, 0.0032917900000000, -0.0007817900000000 ] - [ -0.0003390100000000, 0.0032917900000000, -0.0007817900000000 ] - [ 0.0000000000000000, 0.0026060400000000, -0.0001870300000000 ] - [ 0.0000000000000000, -0.0041968100000000, 0.0014431500000000 ] - [ -0.0001778300000000, -0.0041027500000000, 0.0013980000000000 ] - [ 0.0001778300000000, -0.0041027500000000, 0.0013980000000000 ] - [ -0.0000099900000000, 0.0011048300000000, -0.0008494200000000 ] - [ 0.0000099900000000, 0.0011048300000000, -0.0008494200000000 ] - [ 0.0000000000000000, 0.0010676500000000, -0.0010075500000000 ]- atom: 76 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000863600000000, -0.0005864800000000, -0.0001500300000000 ] - [ -0.0001244900000000, -0.0005201700000000, 0.0000017800000000 ] - [ 0.0000858300000000, -0.0004527500000000, 0.0001541100000000 ] - [ 0.0000112600000000, 0.0005325800000000, 0.0000148000000000 ] - [ -0.0000902100000000, 0.0006311700000000, 0.0001559500000000 ] - [ -0.0000912100000000, 0.0004120200000000, -0.0001600200000000 ] - [ 0.0002191300000000, -0.0005211200000000, 0.0000029200000000 ] - [ -0.0000149600000000, -0.0004867200000000, -0.0000494100000000 ] - [ -0.0000158800000000, -0.0005551300000000, 0.0000550300000000 ] - [ 0.0001026400000000, 0.0003838400000000, 0.0000980700000000 ] - [ -0.0001884600000000, 0.0005171800000000, -0.0000022000000000 ] - [ 0.0001000800000000, 0.0006576800000000, -0.0001029800000000 ] - [ 0.0001420100000000, 0.0021265200000000, 0.0014150200000000 ] - [ -0.0003405800000000, 0.0022187200000000, 0.0005865500000000 ] - [ 0.0001402900000000, 0.0023128400000000, -0.0002384200000000 ] - [ 0.0048043200000000, -0.0022154500000000, 0.0005100200000000 ] - [ -0.0002985500000000, -0.0021121000000000, 0.0002881700000000 ] - [ -0.0003170000000000, -0.0023090300000000, 0.0008815900000000 ] - [ 0.0003649100000000, -0.0022172800000000, -0.0005800000000000 ] - [ -0.0002059700000000, -0.0021705100000000, -0.0007031800000000 ] - [ -0.0002076800000000, -0.0022641800000000, -0.0004645500000000 ] - [ 0.0088538600000000, 0.0089044800000000, -0.0007137500000000 ] - [ -0.0036047200000000, 0.0022212200000000, -0.0005871400000000 ] - [ 0.0084956400000000, -0.0040237400000000, -0.0005312600000000 ] - [ 0.0002003000000000, 0.0022175000000000, 0.0005849300000000 ] - [ -0.0000800900000000, 0.0022050200000000, 0.0007209000000000 ] - [ -0.0000807000000000, 0.0022312900000000, 0.0004489000000000 ] - [ 0.0002889600000000, -0.0022992200000000, 0.0004992300000000 ] - [ -0.0005889400000000, -0.0022202800000000, 0.0005865600000000 ] - [ 0.0002857900000000, -0.0021413600000000, 0.0006732600000000 ] - [ 0.0001027000000000, -0.0022401100000000, -0.0006303000000000 ] - [ -0.0002030600000000, -0.0022187800000000, -0.0005865000000000 ] - [ 0.0001018500000000, -0.0021975000000000, -0.0005404700000000 ] - [ 0.0012287100000000, 0.0022149300000000, -0.0005860300000000 ] - [ -0.0008132200000000, 0.0025181300000000, -0.0007156400000000 ] - [ -0.0008180400000000, 0.0019139200000000, -0.0004552500000000 ] - [ 0.0002190400000000, -0.0022249500000000, 0.0009790600000000 ] - [ -0.0001893600000000, -0.0023655100000000, 0.0009557000000000 ] - [ -0.0001917300000000, -0.0020683100000000, 0.0010041300000000 ] - [ 0.0001377900000000, -0.0028988800000000, 0.0000008800000000 ] - [ -0.0001163200000000, -0.0029628200000000, -0.0000244600000000 ] - [ -0.0001153400000000, -0.0028323900000000, 0.0000232000000000 ] - [ 0.0166808000000000, -0.0070291000000000, 0.0051037200000000 ] - [ -0.0007649000000000, 0.0022227400000000, -0.0009817600000000 ] - [ 0.0157713400000000, 0.0108084000000000, -0.0066816700000000 ] - [ 0.0000142500000000, 0.0021818800000000, 0.0009157100000000 ] - [ -0.0000504400000000, 0.0022170200000000, 0.0009784400000000 ] - [ 0.0000139000000000, 0.0022521200000000, 0.0010416700000000 ] - [ 0.0002830000000000, 0.0025270800000000, -0.0002045900000000 ] - [ -0.0000551300000000, 0.0028991500000000, -0.0000002100000000 ] - [ 0.0002807000000000, 0.0032557800000000, 0.0002073200000000 ] - [ 0.0000271500000000, -0.0022187000000000, -0.0009783200000000 ] - [ 0.0000212800000000, -0.0021934900000000, -0.0008809800000000 ] - [ 0.0000208900000000, -0.0022409500000000, -0.0010782800000000 ] - [ 0.0001822700000000, -0.0020146100000000, 0.0009550800000000 ] - [ -0.0000508600000000, -0.0022165800000000, 0.0009792100000000 ] - [ 0.0001823300000000, -0.0024244200000000, 0.0010080700000000 ] - [ 0.0000305100000000, -0.0028882800000000, 0.0002197300000000 ] - [ -0.0000420600000000, -0.0028990200000000, -0.0000000300000000 ] - [ 0.0000305300000000, -0.0029052500000000, -0.0002202200000000 ] - [ 0.0000105600000000, 0.0022199900000000, -0.0009789400000000 ] - [ -0.0000348300000000, 0.0019150300000000, -0.0011213100000000 ] - [ -0.0000337700000000, 0.0025168900000000, -0.0008396700000000 ] - [ -0.0000025900000000, 0.0022175200000000, 0.0009789000000000 ] - [ 0.0000027100000000, 0.0021240600000000, 0.0009925100000000 ] - [ 0.0000035200000000, 0.0023099000000000, 0.0009668900000000 ] - [ 0.0000173200000000, 0.0028869400000000, 0.0000007500000000 ] - [ -0.0000086000000000, 0.0028210100000000, -0.0000789800000000 ] - [ -0.0000099700000000, 0.0029747100000000, 0.0000788200000000 ] - [ 0.0000011200000000, -0.0021982100000000, -0.0009636600000000 ] - [ 0.0000000000000000, -0.0022166300000000, -0.0009785000000000 ] - [ -0.0000001200000000, -0.0022352200000000, -0.0009939500000000 ] - [ -0.0000665200000000, 0.0011157400000000, 0.0008618000000000 ] - [ 0.0001042100000000, 0.0010722300000000, 0.0007355400000000 ] - [ -0.0000659800000000, 0.0010286000000000, 0.0006077900000000 ] - [ -0.0853395700000000, -0.0039910500000000, -0.0015680600000000 ] - [ 0.0082185100000000, -0.0039363600000000, -0.0006859100000000 ] - [ 0.0081087900000000, -0.0044796100000000, -0.0019278000000000 ] - [ -0.0001806700000000, -0.0010727600000000, -0.0007362800000000 ] - [ 0.0001582600000000, -0.0008742400000000, -0.0010467200000000 ] - [ 0.0001578000000000, -0.0012653800000000, -0.0004272500000000 ] - [ -0.0003872300000000, -0.0027343900000000, -0.0000156900000000 ] - [ 0.0001513200000000, -0.0026368600000000, 0.0002807900000000 ] - [ 0.0001497900000000, -0.0028275400000000, -0.0002786700000000 ] - [ 0.0000208300000000, 0.0041715600000000, -0.0015364500000000 ] - [ 0.0001521100000000, 0.0042082100000000, -0.0013088300000000 ] - [ 0.0000242600000000, 0.0042449600000000, -0.0010812900000000 ] - [ 0.0013806200000000, 0.0059167900000000, 0.0037519900000000 ] - [ 0.0005946700000000, 0.0042085000000000, 0.0013094900000000 ] - [ 0.0013724700000000, 0.0025165700000000, -0.0011127400000000 ] - [ -0.0015605300000000, -0.0010903700000000, 0.0007389000000000 ] - [ 0.0039026400000000, 0.0015484900000000, 0.0001260400000000 ] - [ 0.0038736700000000, -0.0036733100000000, 0.0013426000000000 ] - [ 0.0010906300000000, 0.0038378300000000, -0.0027168200000000 ] - [ 0.0001720700000000, 0.0027314900000000, -0.0000033000000000 ] - [ 0.0010822300000000, 0.0016387000000000, 0.0026858600000000 ] - [ -0.0002406400000000, -0.0042103800000000, 0.0013068500000000 ] - [ 0.0002036600000000, -0.0042249600000000, 0.0012734900000000 ] - [ 0.0002016300000000, -0.0041950200000000, 0.0013402100000000 ] - [ 0.0012346000000000, 0.0000658200000000, 0.0035012700000000 ] - [ 0.0003378600000000, 0.0010724800000000, -0.0007337200000000 ] - [ 0.0012395200000000, 0.0020641900000000, -0.0049412400000000 ] - [ -0.0000617300000000, 0.0010721300000000, 0.0007359700000000 ] - [ 0.0000313400000000, 0.0011580800000000, 0.0007084600000000 ] - [ 0.0000315100000000, 0.0009889600000000, 0.0007623100000000 ] - [ -0.0001042900000000, -0.0043754900000000, -0.0011336100000000 ] - [ 0.0008541900000000, -0.0042070600000000, -0.0013081600000000 ] - [ -0.0001001800000000, -0.0040442800000000, -0.0014790300000000 ] - [ -0.0000199800000000, -0.0010965800000000, -0.0007502200000000 ] - [ 0.0000571400000000, -0.0010717700000000, -0.0007354600000000 ] - [ -0.0000194500000000, -0.0010475700000000, -0.0007196100000000 ] - [ -0.0000568500000000, -0.0026915400000000, 0.0000418300000000 ] - [ 0.0001452800000000, -0.0027310600000000, 0.0000018100000000 ] - [ -0.0000577100000000, -0.0027695600000000, -0.0000383800000000 ] - [ -0.0000738100000000, 0.0042091200000000, -0.0013077700000000 ] - [ 0.0000322200000000, 0.0041832000000000, -0.0012971400000000 ] - [ 0.0000320200000000, 0.0042357700000000, -0.0013179600000000 ] - [ -0.0002490000000000, 0.0042096400000000, 0.0013073800000000 ] - [ 0.0001744400000000, 0.0041021800000000, 0.0013172200000000 ] - [ 0.0001763400000000, 0.0043164500000000, 0.0012981200000000 ] - [ 0.0013434000000000, -0.0046499500000000, -0.0001811300000000 ] - [ 0.0002149100000000, -0.0010735200000000, 0.0007345200000000 ] - [ 0.0013476400000000, 0.0024796400000000, 0.0016413400000000 ] - [ -0.0001185300000000, 0.0027321900000000, -0.0000012200000000 ] - [ 0.0001866600000000, 0.0026033500000000, -0.0002080500000000 ] - [ 0.0001858200000000, 0.0028579500000000, 0.0002044700000000 ] - [ -0.0000484200000000, -0.0042033300000000, 0.0012929500000000 ] - [ 0.0000963700000000, -0.0042090900000000, 0.0013088000000000 ] - [ -0.0000488200000000, -0.0042141700000000, 0.0013220600000000 ] - [ -0.0001424600000000, 0.0010731000000000, -0.0007367300000000 ] - [ 0.0001524000000000, 0.0014440000000000, -0.0005561900000000 ] - [ 0.0001526600000000, 0.0007052300000000, -0.0009133700000000 ]- atom: 76 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000097200000000, -0.0004799400000000, -0.0001823400000000 ] - [ 0.0000000000000000, -0.0005081400000000, -0.0000871900000000 ] - [ -0.0000097200000000, -0.0004799400000000, -0.0001823400000000 ] - [ 0.0000000000000000, 0.0030404700000000, 0.0049281000000000 ] - [ 0.0001233200000000, 0.0007397500000000, -0.0001099600000000 ] - [ -0.0001233200000000, 0.0007397500000000, -0.0001099600000000 ] - [ 0.0000000000000000, -0.0007334700000000, 0.0002128200000000 ] - [ -0.0000033800000000, -0.0005775500000000, 0.0000456700000000 ] - [ 0.0000033800000000, -0.0005775500000000, 0.0000456700000000 ] - [ -0.0000645600000000, 0.0001730000000000, 0.0003088000000000 ] - [ 0.0000000000000000, 0.0002860400000000, 0.0002064100000000 ] - [ 0.0000645600000000, 0.0001730000000000, 0.0003088000000000 ] - [ 0.0000545400000000, 0.0023868600000000, 0.0012480900000000 ] - [ 0.0000000000000000, 0.0023156000000000, 0.0008727600000000 ] - [ -0.0000545400000000, 0.0023868600000000, 0.0012480900000000 ] - [ 0.0000000000000000, 0.0018437100000000, 0.0074856600000000 ] - [ 0.0001286000000000, -0.0005635000000000, 0.0001940600000000 ] - [ -0.0001286000000000, -0.0005635000000000, 0.0001940600000000 ] - [ 0.0000000000000000, -0.0018816400000000, -0.0002989000000000 ] - [ 0.0000924100000000, -0.0020915400000000, -0.0004214900000000 ] - [ -0.0000924100000000, -0.0020915400000000, -0.0004214900000000 ] - [ 0.0091045200000000, 0.0143061700000000, -0.0016089900000000 ] - [ 0.0000000000000000, 0.0035697400000000, -0.0008527000000000 ] - [ -0.0091045200000000, 0.0143061700000000, -0.0016089900000000 ] - [ 0.0000000000000000, 0.0020616600000000, 0.0002943700000000 ] - [ 0.0001174500000000, 0.0021255600000000, 0.0003366200000000 ] - [ -0.0001174500000000, 0.0021255600000000, 0.0003366200000000 ] - [ -0.0000311600000000, -0.0027377300000000, 0.0006164200000000 ] - [ 0.0000000000000000, -0.0026273700000000, 0.0005823000000000 ] - [ 0.0000311600000000, -0.0027377300000000, 0.0006164200000000 ] - [ -0.0000117500000000, -0.0023476500000000, -0.0006851200000000 ] - [ 0.0000000000000000, -0.0023328800000000, -0.0006892800000000 ] - [ 0.0000117500000000, -0.0023476500000000, -0.0006851200000000 ] - [ 0.0000000000000000, 0.0008814000000000, -0.0001066800000000 ] - [ 0.0007789200000000, 0.0014486400000000, -0.0001749300000000 ] - [ -0.0007789200000000, 0.0014486400000000, -0.0001749300000000 ] - [ 0.0000000000000000, -0.0010151100000000, 0.0016341700000000 ] - [ -0.0001008500000000, -0.0024969200000000, 0.0009829300000000 ] - [ 0.0001008500000000, -0.0024969200000000, 0.0009829300000000 ] - [ 0.0000000000000000, -0.0024539400000000, -0.0004212000000000 ] - [ -0.0000175600000000, -0.0029895700000000, 0.0000420600000000 ] - [ 0.0000175600000000, -0.0029895700000000, 0.0000420600000000 ] - [ -0.0076719700000000, 0.0063298300000000, -0.0039561400000000 ] - [ 0.0000000000000000, 0.0021872500000000, -0.0009712800000000 ] - [ 0.0076719700000000, 0.0063298300000000, -0.0039561400000000 ] - [ 0.0000328700000000, 0.0022736800000000, 0.0010006000000000 ] - [ 0.0000000000000000, 0.0022668300000000, 0.0009596400000000 ] - [ -0.0000328700000000, 0.0022736800000000, 0.0010006000000000 ] - [ -0.0002504300000000, 0.0034012600000000, 0.0003780600000000 ] - [ 0.0000000000000000, 0.0028921500000000, 0.0000346400000000 ] - [ 0.0002504300000000, 0.0034012600000000, 0.0003780600000000 ] - [ 0.0000000000000000, -0.0022087600000000, -0.0009021000000000 ] - [ 0.0000056300000000, -0.0022150400000000, -0.0009003200000000 ] - [ -0.0000056300000000, -0.0022150400000000, -0.0009003200000000 ] - [ -0.0002048200000000, -0.0022097500000000, 0.0010097000000000 ] - [ 0.0000000000000000, -0.0022201200000000, 0.0009789100000000 ] - [ 0.0002048200000000, -0.0022097500000000, 0.0010097000000000 ] - [ -0.0000390300000000, -0.0029534300000000, -0.0003486400000000 ] - [ 0.0000000000000000, -0.0028365200000000, 0.0000085000000000 ] - [ 0.0000390300000000, -0.0029534300000000, -0.0003486400000000 ] - [ 0.0000000000000000, 0.0018532800000000, -0.0014270600000000 ] - [ 0.0000203100000000, 0.0019497400000000, -0.0011227500000000 ] - [ -0.0000203100000000, 0.0019497400000000, -0.0011227500000000 ] - [ 0.0000000000000000, 0.0021366600000000, 0.0010087700000000 ] - [ 0.0000055400000000, 0.0021410800000000, 0.0010023500000000 ] - [ -0.0000055400000000, 0.0021410800000000, 0.0010023500000000 ] - [ 0.0000000000000000, 0.0027850400000000, -0.0001098500000000 ] - [ -0.0000043500000000, 0.0028491500000000, -0.0000739100000000 ] - [ 0.0000043500000000, 0.0028491500000000, -0.0000739100000000 ] - [ 0.0000073200000000, -0.0022127500000000, -0.0010218000000000 ] - [ 0.0000000000000000, -0.0022033400000000, -0.0009789500000000 ] - [ -0.0000073200000000, -0.0022127500000000, -0.0010218000000000 ] - [ -0.0000203200000000, 0.0009338900000000, 0.0005810800000000 ] - [ 0.0000000000000000, 0.0009617600000000, 0.0006811300000000 ] - [ 0.0000203200000000, 0.0009338900000000, 0.0005810800000000 ] - [ 0.0000000000000000, -0.0665375400000000, 0.0014035600000000 ] - [ -0.0002830800000000, -0.0050040800000000, -0.0013472400000000 ] - [ 0.0002830800000000, -0.0050040800000000, -0.0013472400000000 ] - [ 0.0000000000000000, -0.0010335200000000, -0.0009608500000000 ] - [ 0.0000414600000000, -0.0009884200000000, -0.0009727100000000 ] - [ -0.0000414600000000, -0.0009884200000000, -0.0009727100000000 ] - [ 0.0000000000000000, -0.0027875300000000, -0.0005353200000000 ] - [ -0.0000720600000000, -0.0031436900000000, -0.0000421400000000 ] - [ 0.0000720600000000, -0.0031436900000000, -0.0000421400000000 ] - [ -0.0000414600000000, 0.0040759900000000, -0.0014774000000000 ] - [ 0.0000000000000000, 0.0041228800000000, -0.0014348800000000 ] - [ 0.0000414600000000, 0.0040759900000000, -0.0014774000000000 ] - [ 0.0017074000000000, 0.0050691700000000, 0.0032867900000000 ] - [ 0.0000000000000000, 0.0038720100000000, 0.0013408900000000 ] - [ -0.0017074000000000, 0.0050691700000000, 0.0032867900000000 ] - [ 0.0000000000000000, 0.0030689300000000, 0.0001401300000000 ] - [ 0.0018808600000000, 0.0007923700000000, 0.0004074300000000 ] - [ -0.0018808600000000, 0.0007923700000000, 0.0004074300000000 ] - [ 0.0006309800000000, 0.0029696300000000, -0.0016847700000000 ] - [ 0.0000000000000000, 0.0026845100000000, -0.0001621400000000 ] - [ -0.0006309800000000, 0.0029696300000000, -0.0016847700000000 ] - [ 0.0000000000000000, -0.0046062700000000, 0.0011569700000000 ] - [ 0.0000135100000000, -0.0043652900000000, 0.0012093900000000 ] - [ -0.0000135100000000, -0.0043652900000000, 0.0012093900000000 ] - [ -0.0019903700000000, 0.0014345900000000, -0.0048662400000000 ] - [ 0.0000000000000000, 0.0008218200000000, -0.0005518200000000 ] - [ 0.0019903700000000, 0.0014345900000000, -0.0048662400000000 ] - [ 0.0000000000000000, 0.0011521700000000, 0.0007257800000000 ] - [ 0.0000219700000000, 0.0011711000000000, 0.0007319900000000 ] - [ -0.0000219700000000, 0.0011711000000000, 0.0007319900000000 ] - [ 0.0001665400000000, -0.0034426900000000, -0.0014287400000000 ] - [ 0.0000000000000000, -0.0035087400000000, -0.0013945900000000 ] - [ -0.0001665400000000, -0.0034426900000000, -0.0014287400000000 ] - [ -0.0001303700000000, -0.0010001800000000, -0.0005841300000000 ] - [ 0.0000000000000000, -0.0010956700000000, -0.0006915100000000 ] - [ 0.0001303700000000, -0.0010001800000000, -0.0005841300000000 ] - [ 0.0000070100000000, -0.0025442300000000, 0.0000875800000000 ] - [ 0.0000000000000000, -0.0025487200000000, 0.0000859300000000 ] - [ -0.0000070100000000, -0.0025442300000000, 0.0000875800000000 ] - [ 0.0000000000000000, 0.0043146700000000, -0.0012558400000000 ] - [ -0.0000223400000000, 0.0043188500000000, -0.0012745400000000 ] - [ 0.0000223400000000, 0.0043188500000000, -0.0012745400000000 ] - [ 0.0000000000000000, 0.0045177900000000, 0.0012601400000000 ] - [ -0.0001094100000000, 0.0044876700000000, 0.0011966200000000 ] - [ 0.0001094100000000, 0.0044876700000000, 0.0011966200000000 ] - [ -0.0019833500000000, 0.0037302700000000, 0.0018102300000000 ] - [ 0.0000000000000000, -0.0011232100000000, 0.0006599000000000 ] - [ 0.0019833500000000, 0.0037302700000000, 0.0018102300000000 ] - [ 0.0000000000000000, 0.0030263200000000, 0.0002183200000000 ] - [ -0.0002557400000000, 0.0030552400000000, 0.0002839900000000 ] - [ 0.0002557400000000, 0.0030552400000000, 0.0002839900000000 ] - [ -0.0000025700000000, -0.0040793900000000, 0.0013277800000000 ] - [ 0.0000000000000000, -0.0040687600000000, 0.0013393000000000 ] - [ 0.0000025700000000, -0.0040793900000000, 0.0013277800000000 ] - [ 0.0000000000000000, 0.0013370900000000, -0.0007298300000000 ] - [ 0.0000722100000000, 0.0014456000000000, -0.0006325000000000 ] - [ -0.0000722100000000, 0.0014456000000000, -0.0006325000000000 ]- atom: 76 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000095600000000, -0.0005583800000000, 0.0001862400000000 ] - [ 0.0000000000000000, -0.0005321400000000, 0.0000910700000000 ] - [ 0.0000095600000000, -0.0005583800000000, 0.0001862400000000 ] - [ 0.0000000000000000, -0.0020060900000000, -0.0050199200000000 ] - [ -0.0001245500000000, 0.0003000000000000, 0.0001046800000000 ] - [ 0.0001245500000000, 0.0003000000000000, 0.0001046800000000 ] - [ 0.0000000000000000, -0.0003079400000000, -0.0002089700000000 ] - [ 0.0000041200000000, -0.0004637700000000, -0.0000415100000000 ] - [ -0.0000041200000000, -0.0004637700000000, -0.0000415100000000 ] - [ 0.0000653300000000, 0.0008660400000000, -0.0003107700000000 ] - [ 0.0000000000000000, 0.0007537800000000, -0.0002108700000000 ] - [ -0.0000653300000000, 0.0008660400000000, -0.0003107700000000 ] - [ -0.0000548500000000, 0.0020502900000000, -0.0000705300000000 ] - [ 0.0000000000000000, 0.0021211000000000, 0.0003042900000000 ] - [ 0.0000548500000000, 0.0020502900000000, -0.0000705300000000 ] - [ 0.0000000000000000, -0.0063105700000000, -0.0063996900000000 ] - [ -0.0001304000000000, -0.0038676200000000, 0.0009891400000000 ] - [ 0.0001304000000000, -0.0038676200000000, 0.0009891400000000 ] - [ 0.0000000000000000, -0.0025579500000000, -0.0008628100000000 ] - [ -0.0000915600000000, -0.0023457800000000, -0.0007547600000000 ] - [ 0.0000915600000000, -0.0023457800000000, -0.0007547600000000 ] - [ -0.0086761600000000, -0.0095533200000000, 0.0003494100000000 ] - [ 0.0000000000000000, 0.0008877400000000, -0.0003273400000000 ] - [ 0.0086761600000000, -0.0095533200000000, 0.0003494100000000 ] - [ 0.0000000000000000, 0.0023754100000000, 0.0008848200000000 ] - [ -0.0001156900000000, 0.0023108800000000, 0.0008409300000000 ] - [ 0.0001156900000000, 0.0023108800000000, 0.0008409300000000 ] - [ 0.0000299600000000, -0.0017010700000000, 0.0005577800000000 ] - [ 0.0000000000000000, -0.0018112900000000, 0.0005935900000000 ] - [ -0.0000299600000000, -0.0017010700000000, 0.0005577800000000 ] - [ 0.0000135500000000, -0.0020892900000000, -0.0004906300000000 ] - [ 0.0000000000000000, -0.0021032100000000, -0.0004850800000000 ] - [ -0.0000135500000000, -0.0020892900000000, -0.0004906300000000 ] - [ 0.0000000000000000, 0.0035438400000000, -0.0010716300000000 ] - [ -0.0007820700000000, 0.0029819400000000, -0.0010047100000000 ] - [ 0.0007820700000000, 0.0029819400000000, -0.0010047100000000 ] - [ 0.0000000000000000, -0.0034089700000000, 0.0003302000000000 ] - [ 0.0001025800000000, -0.0019410100000000, 0.0009733000000000 ] - [ -0.0001025800000000, -0.0019410100000000, 0.0009733000000000 ] - [ 0.0000000000000000, -0.0033424600000000, 0.0004165600000000 ] - [ 0.0000165500000000, -0.0028084900000000, -0.0000429400000000 ] - [ -0.0000165500000000, -0.0028084900000000, -0.0000429400000000 ] - [ 0.0080256700000000, -0.0019924300000000, 0.0021378400000000 ] - [ 0.0000000000000000, 0.0022482800000000, -0.0009874700000000 ] - [ -0.0080256700000000, -0.0019924300000000, 0.0021378400000000 ] - [ -0.0000325700000000, 0.0021635700000000, 0.0009563500000000 ] - [ 0.0000000000000000, 0.0021691200000000, 0.0009954900000000 ] - [ 0.0000325700000000, 0.0021635700000000, 0.0009563500000000 ] - [ 0.0002524300000000, 0.0023863300000000, -0.0003791300000000 ] - [ 0.0000000000000000, 0.0029080900000000, -0.0000353400000000 ] - [ -0.0002524300000000, 0.0023863300000000, -0.0003791300000000 ] - [ 0.0000000000000000, -0.0022308000000000, -0.0010506600000000 ] - [ -0.0000050600000000, -0.0022202000000000, -0.0010553200000000 ] - [ 0.0000050600000000, -0.0022202000000000, -0.0010553200000000 ] - [ 0.0002050700000000, -0.0022352500000000, 0.0009495400000000 ] - [ 0.0000000000000000, -0.0022187400000000, 0.0009790800000000 ] - [ -0.0002050700000000, -0.0022352500000000, 0.0009495400000000 ] - [ 0.0000405500000000, -0.0028455400000000, 0.0003512700000000 ] - [ 0.0000000000000000, -0.0029651500000000, -0.0000093200000000 ] - [ -0.0000405500000000, -0.0028455400000000, 0.0003512700000000 ] - [ 0.0000000000000000, 0.0025855900000000, -0.0005326900000000 ] - [ -0.0000204700000000, 0.0024866300000000, -0.0008345500000000 ] - [ 0.0000204700000000, 0.0024866300000000, -0.0008345500000000 ] - [ 0.0000000000000000, 0.0022995400000000, 0.0009466000000000 ] - [ -0.0000047200000000, 0.0022978000000000, 0.0009540800000000 ] - [ 0.0000047200000000, 0.0022978000000000, 0.0009540800000000 ] - [ 0.0000000000000000, 0.0029936300000000, 0.0001087900000000 ] - [ 0.0000049200000000, 0.0029462500000000, 0.0000747500000000 ] - [ -0.0000049200000000, 0.0029462500000000, 0.0000747500000000 ] - [ -0.0000061000000000, -0.0022233000000000, -0.0009348100000000 ] - [ 0.0000000000000000, -0.0022352500000000, -0.0009755300000000 ] - [ 0.0000061000000000, -0.0022233000000000, -0.0009348100000000 ] - [ 0.0000197200000000, 0.0012180400000000, 0.0008831900000000 ] - [ 0.0000000000000000, 0.0011863900000000, 0.0007818400000000 ] - [ -0.0000197200000000, 0.0012180400000000, 0.0008831900000000 ] - [ 0.0000000000000000, 0.0577424800000000, -0.0039305500000000 ] - [ 0.0002576400000000, -0.0034177000000000, -0.0012677400000000 ] - [ -0.0002576400000000, -0.0034177000000000, -0.0012677400000000 ] - [ 0.0000000000000000, -0.0011190600000000, -0.0005079600000000 ] - [ -0.0000415600000000, -0.0011593600000000, -0.0004916800000000 ] - [ 0.0000415600000000, -0.0011593600000000, -0.0004916800000000 ] - [ 0.0000000000000000, -0.0026893000000000, 0.0004966900000000 ] - [ 0.0000776300000000, -0.0023240000000000, 0.0000459100000000 ] - [ -0.0000776300000000, -0.0023240000000000, 0.0000459100000000 ] - [ 0.0000343500000000, 0.0043335700000000, -0.0011402800000000 ] - [ 0.0000000000000000, 0.0042850600000000, -0.0011837600000000 ] - [ -0.0000343500000000, 0.0043335700000000, -0.0011402800000000 ] - [ -0.0016904100000000, 0.0033430300000000, -0.0006543400000000 ] - [ 0.0000000000000000, 0.0045367800000000, 0.0012732800000000 ] - [ 0.0016904100000000, 0.0033430300000000, -0.0006543400000000 ] - [ 0.0000000000000000, -0.0051468500000000, 0.0013121600000000 ] - [ -0.0018669500000000, -0.0029287500000000, 0.0010598000000000 ] - [ 0.0018669500000000, -0.0029287500000000, 0.0010598000000000 ] - [ -0.0006295700000000, 0.0024947700000000, 0.0016763300000000 ] - [ 0.0000000000000000, 0.0027846500000000, 0.0001599800000000 ] - [ 0.0006295700000000, 0.0024947700000000, 0.0016763300000000 ] - [ 0.0000000000000000, -0.0038023200000000, 0.0014557000000000 ] - [ -0.0000158700000000, -0.0040440200000000, 0.0014066500000000 ] - [ 0.0000158700000000, -0.0040440200000000, 0.0014066500000000 ] - [ 0.0019939900000000, 0.0007240600000000, 0.0034188600000000 ] - [ 0.0000000000000000, 0.0013297400000000, -0.0009136300000000 ] - [ -0.0019939900000000, 0.0007240600000000, 0.0034188600000000 ] - [ 0.0000000000000000, 0.0009954500000000, 0.0007385300000000 ] - [ -0.0000220900000000, 0.0009812000000000, 0.0007353700000000 ] - [ 0.0000220900000000, 0.0009812000000000, 0.0007353700000000 ] - [ -0.0001658700000000, -0.0049623200000000, -0.0011846700000000 ] - [ 0.0000000000000000, -0.0048983300000000, -0.0012196000000000 ] - [ 0.0001658700000000, -0.0049623200000000, -0.0011846700000000 ] - [ 0.0001306800000000, -0.0011483100000000, -0.0008791600000000 ] - [ 0.0000000000000000, -0.0010557200000000, -0.0007755900000000 ] - [ -0.0001306800000000, -0.0011483100000000, -0.0008791600000000 ] - [ -0.0000072900000000, -0.0029225700000000, -0.0000834600000000 ] - [ 0.0000000000000000, -0.0029180400000000, -0.0000817300000000 ] - [ 0.0000072900000000, -0.0029225700000000, -0.0000834600000000 ] - [ 0.0000000000000000, 0.0040952700000000, -0.0013626400000000 ] - [ 0.0000257000000000, 0.0040931300000000, -0.0013421000000000 ] - [ -0.0000257000000000, 0.0040931300000000, -0.0013421000000000 ] - [ 0.0000000000000000, 0.0038970900000000, 0.0013568800000000 ] - [ 0.0001078700000000, 0.0039246200000000, 0.0014215800000000 ] - [ -0.0001078700000000, 0.0039246200000000, 0.0014215800000000 ] - [ 0.0020049500000000, -0.0059241200000000, -0.0003708100000000 ] - [ 0.0000000000000000, -0.0010221000000000, 0.0008053800000000 ] - [ -0.0020049500000000, -0.0059241200000000, -0.0003708100000000 ] - [ 0.0000000000000000, 0.0024468700000000, -0.0002237400000000 ] - [ 0.0002579200000000, 0.0024145000000000, -0.0002907700000000 ] - [ -0.0002579200000000, 0.0024145000000000, -0.0002907700000000 ] - [ 0.0000070000000000, -0.0043312700000000, 0.0012873700000000 ] - [ 0.0000000000000000, -0.0043447000000000, 0.0012741900000000 ] - [ -0.0000070000000000, -0.0043312700000000, 0.0012873700000000 ] - [ 0.0000000000000000, 0.0008161600000000, -0.0007349100000000 ] - [ -0.0000722600000000, 0.0007036500000000, -0.0008325600000000 ] - [ 0.0000722600000000, 0.0007036500000000, -0.0008325600000000 ]- atom: 76 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001165200000000, -0.0008326100000000, -0.0000790900000000 ] - [ 0.0000000000000000, -0.0006016400000000, -0.0000452600000000 ] - [ 0.0001165200000000, -0.0008326100000000, -0.0000790900000000 ] - [ 0.0000000000000000, 0.0053430800000000, 0.0092548800000000 ] - [ 0.0001481400000000, 0.0004125000000000, -0.0000839400000000 ] - [ -0.0001481400000000, 0.0004125000000000, -0.0000839400000000 ] - [ 0.0000000000000000, -0.0001272200000000, -0.0002119500000000 ] - [ -0.0000285900000000, -0.0003710300000000, -0.0000759800000000 ] - [ 0.0000285900000000, -0.0003710300000000, -0.0000759800000000 ] - [ 0.0000346700000000, 0.0006714900000000, -0.0001015100000000 ] - [ 0.0000000000000000, 0.0006049800000000, -0.0000806600000000 ] - [ -0.0000346700000000, 0.0006714900000000, -0.0001015100000000 ] - [ -0.0001134800000000, 0.0021777300000000, -0.0005515500000000 ] - [ 0.0000000000000000, 0.0020951800000000, 0.0002595700000000 ] - [ 0.0001134800000000, 0.0021777300000000, -0.0005515500000000 ] - [ 0.0000000000000000, 0.0002324100000000, 0.0355358500000000 ] - [ -0.0007134800000000, -0.0022658000000000, 0.0016950000000000 ] - [ 0.0007134800000000, -0.0022658000000000, 0.0016950000000000 ] - [ 0.0000000000000000, -0.0020513100000000, -0.0025897300000000 ] - [ -0.0001762700000000, -0.0022846800000000, -0.0010614700000000 ] - [ 0.0001762700000000, -0.0022846800000000, -0.0010614700000000 ] - [ 0.0006656200000000, 0.0021829500000000, 0.0013136500000000 ] - [ 0.0000000000000000, 0.0022372100000000, -0.0001110300000000 ] - [ -0.0006656200000000, 0.0021829500000000, 0.0013136500000000 ] - [ 0.0000000000000000, 0.0021830500000000, 0.0003900800000000 ] - [ 0.0000526300000000, 0.0021961300000000, 0.0004409500000000 ] - [ -0.0000526300000000, 0.0021961300000000, 0.0004409500000000 ] - [ 0.0000446500000000, -0.0022104000000000, 0.0008179900000000 ] - [ 0.0000000000000000, -0.0022568800000000, 0.0007410000000000 ] - [ -0.0000446500000000, -0.0022104000000000, 0.0008179900000000 ] - [ -0.0000267200000000, -0.0021791000000000, -0.0007211000000000 ] - [ 0.0000000000000000, -0.0021856900000000, -0.0007453000000000 ] - [ 0.0000267200000000, -0.0021791000000000, -0.0007211000000000 ] - [ 0.0000000000000000, 0.0021208800000000, -0.0003437300000000 ] - [ 0.0002487900000000, 0.0021646200000000, -0.0004107000000000 ] - [ -0.0002487900000000, 0.0021646200000000, -0.0004107000000000 ] - [ 0.0000000000000000, -0.0015879800000000, 0.0013445900000000 ] - [ -0.0002480900000000, -0.0024385400000000, 0.0013067200000000 ] - [ 0.0002480900000000, -0.0024385400000000, 0.0013067200000000 ] - [ 0.0000000000000000, -0.0031573400000000, 0.0006103100000000 ] - [ 0.0001551400000000, -0.0025185700000000, 0.0001755800000000 ] - [ -0.0001551400000000, -0.0025185700000000, 0.0001755800000000 ] - [ 0.0073874800000000, -0.0021325600000000, 0.0010272100000000 ] - [ 0.0000000000000000, 0.0020666900000000, -0.0009015300000000 ] - [ -0.0073874800000000, -0.0021325600000000, 0.0010272100000000 ] - [ 0.0000601000000000, 0.0022273800000000, 0.0008079500000000 ] - [ 0.0000000000000000, 0.0022042400000000, 0.0009205900000000 ] - [ -0.0000601000000000, 0.0022273800000000, 0.0008079500000000 ] - [ 0.0000655900000000, 0.0029183800000000, -0.0001119800000000 ] - [ 0.0000000000000000, 0.0030705000000000, -0.0000036300000000 ] - [ -0.0000655900000000, 0.0029183800000000, -0.0001119800000000 ] - [ 0.0000000000000000, -0.0022669700000000, -0.0010574700000000 ] - [ -0.0000777600000000, -0.0022844400000000, -0.0010784500000000 ] - [ 0.0000777600000000, -0.0022844400000000, -0.0010784500000000 ] - [ 0.0001228000000000, -0.0019895700000000, 0.0013872900000000 ] - [ 0.0000000000000000, -0.0021790800000000, 0.0010883000000000 ] - [ -0.0001228000000000, -0.0019895700000000, 0.0013872900000000 ] - [ 0.0000120900000000, -0.0028513900000000, -0.0000967000000000 ] - [ 0.0000000000000000, -0.0028358000000000, -0.0000019400000000 ] - [ -0.0000120900000000, -0.0028513900000000, -0.0000967000000000 ] - [ 0.0000000000000000, 0.0024160600000000, -0.0006667500000000 ] - [ 0.0000050600000000, 0.0022655700000000, -0.0008459200000000 ] - [ -0.0000050600000000, 0.0022655700000000, -0.0008459200000000 ] - [ 0.0000000000000000, 0.0022817800000000, 0.0009108000000000 ] - [ -0.0000118300000000, 0.0022911500000000, 0.0009041700000000 ] - [ 0.0000118300000000, 0.0022911500000000, 0.0009041700000000 ] - [ 0.0000000000000000, 0.0029173900000000, -0.0000250300000000 ] - [ -0.0000012500000000, 0.0029412800000000, -0.0000508700000000 ] - [ 0.0000012500000000, 0.0029412800000000, -0.0000508700000000 ] - [ -0.0000074800000000, -0.0020976500000000, -0.0011364300000000 ] - [ 0.0000000000000000, -0.0021781300000000, -0.0010407200000000 ] - [ 0.0000074800000000, -0.0020976500000000, -0.0011364300000000 ] - [ 0.0001181500000000, 0.0009547900000000, 0.0012416400000000 ] - [ 0.0000000000000000, 0.0010411100000000, 0.0009536700000000 ] - [ -0.0001181500000000, 0.0009547900000000, 0.0012416400000000 ] - [ 0.0000000000000000, -0.0015145700000000, -0.0741790500000000 ] - [ -0.0006313600000000, -0.0042472400000000, -0.0020427500000000 ] - [ 0.0006313600000000, -0.0042472400000000, -0.0020427500000000 ] - [ 0.0000000000000000, -0.0011319000000000, -0.0004349400000000 ] - [ -0.0000471300000000, -0.0012154900000000, -0.0002476600000000 ] - [ 0.0000471300000000, -0.0012154900000000, -0.0002476600000000 ] - [ 0.0000000000000000, -0.0015961600000000, 0.0067130900000000 ] - [ 0.0001343800000000, -0.0027502200000000, 0.0001926400000000 ] - [ -0.0001343800000000, -0.0027502200000000, 0.0001926400000000 ] - [ 0.0002258900000000, 0.0043761000000000, -0.0008128200000000 ] - [ 0.0000000000000000, 0.0043296200000000, -0.0010991300000000 ] - [ -0.0002258900000000, 0.0043761000000000, -0.0008128200000000 ] - [ 0.0024367500000000, 0.0061817200000000, 0.0014678800000000 ] - [ 0.0000000000000000, 0.0042417300000000, 0.0008729000000000 ] - [ -0.0024367500000000, 0.0061817200000000, 0.0014678800000000 ] - [ 0.0000000000000000, -0.0027562700000000, 0.0002493000000000 ] - [ -0.0008156500000000, -0.0017684800000000, 0.0007217900000000 ] - [ 0.0008156500000000, -0.0017684800000000, 0.0007217900000000 ] - [ -0.0013616100000000, 0.0013494500000000, 0.0021703000000000 ] - [ 0.0000000000000000, 0.0025509000000000, 0.0000300200000000 ] - [ 0.0013616100000000, 0.0013494500000000, 0.0021703000000000 ] - [ 0.0000000000000000, -0.0040566400000000, 0.0020732600000000 ] - [ -0.0000326500000000, -0.0041088900000000, 0.0015934500000000 ] - [ 0.0000326500000000, -0.0041088900000000, 0.0015934500000000 ] - [ 0.0025168300000000, -0.0004729500000000, 0.0031135500000000 ] - [ 0.0000000000000000, 0.0010324600000000, -0.0010420300000000 ] - [ -0.0025168300000000, -0.0004729500000000, 0.0031135500000000 ] - [ 0.0000000000000000, 0.0010931500000000, 0.0008924600000000 ] - [ 0.0000185700000000, 0.0010451100000000, 0.0009123100000000 ] - [ -0.0000185700000000, 0.0010451100000000, 0.0009123100000000 ] - [ -0.0001747400000000, -0.0043305100000000, -0.0015677500000000 ] - [ 0.0000000000000000, -0.0042951600000000, -0.0014333100000000 ] - [ 0.0001747400000000, -0.0043305100000000, -0.0015677500000000 ] - [ -0.0001453400000000, -0.0009804700000000, -0.0003528100000000 ] - [ 0.0000000000000000, -0.0010776100000000, -0.0006157000000000 ] - [ 0.0001453400000000, -0.0009804700000000, -0.0003528100000000 ] - [ 0.0000075800000000, -0.0028356100000000, 0.0000496900000000 ] - [ 0.0000000000000000, -0.0028158800000000, 0.0000786000000000 ] - [ -0.0000075800000000, -0.0028356100000000, 0.0000496900000000 ] - [ 0.0000000000000000, 0.0041531400000000, -0.0011811300000000 ] - [ -0.0000088200000000, 0.0041744000000000, -0.0011532400000000 ] - [ 0.0000088200000000, 0.0041744000000000, -0.0011532400000000 ] - [ 0.0000000000000000, 0.0041582700000000, 0.0011032400000000 ] - [ 0.0000090800000000, 0.0040927300000000, 0.0011171800000000 ] - [ -0.0000090800000000, 0.0040927300000000, 0.0011171800000000 ] - [ -0.0003400100000000, -0.0002608800000000, 0.0007045600000000 ] - [ 0.0000000000000000, -0.0011103200000000, 0.0005903000000000 ] - [ 0.0003400100000000, -0.0002608800000000, 0.0007045600000000 ] - [ 0.0000000000000000, 0.0026664000000000, 0.0001065600000000 ] - [ -0.0000136700000000, 0.0026568700000000, 0.0000799800000000 ] - [ 0.0000136700000000, 0.0026568700000000, 0.0000799800000000 ] - [ -0.0000134000000000, -0.0042285500000000, 0.0014270300000000 ] - [ 0.0000000000000000, -0.0042420700000000, 0.0014307000000000 ] - [ 0.0000134000000000, -0.0042285500000000, 0.0014270300000000 ] - [ 0.0000000000000000, 0.0011715200000000, -0.0008673000000000 ] - [ 0.0000873900000000, 0.0012817200000000, -0.0008221200000000 ] - [ -0.0000873900000000, 0.0012817200000000, -0.0008221200000000 ]- atom: 76 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001152800000000, -0.0002125600000000, 0.0000857900000000 ] - [ 0.0000000000000000, -0.0004421900000000, 0.0000504500000000 ] - [ -0.0001152800000000, -0.0002125600000000, 0.0000857900000000 ] - [ 0.0000000000000000, -0.0044922600000000, -0.0095665500000000 ] - [ -0.0001489800000000, 0.0006298600000000, 0.0000780600000000 ] - [ 0.0001489800000000, 0.0006298600000000, 0.0000780600000000 ] - [ 0.0000000000000000, -0.0009119300000000, 0.0002156300000000 ] - [ 0.0000283600000000, -0.0006703000000000, 0.0000802300000000 ] - [ -0.0000283600000000, -0.0006703000000000, 0.0000802300000000 ] - [ -0.0000335800000000, 0.0003725500000000, 0.0000951200000000 ] - [ 0.0000000000000000, 0.0004385700000000, 0.0000736900000000 ] - [ 0.0000335800000000, 0.0003725500000000, 0.0000951200000000 ] - [ 0.0001117300000000, 0.0022598700000000, 0.0017245800000000 ] - [ 0.0000000000000000, 0.0023417900000000, 0.0009185300000000 ] - [ -0.0001117300000000, 0.0022598700000000, 0.0017245800000000 ] - [ 0.0000000000000000, -0.0044510200000000, -0.0325837300000000 ] - [ 0.0007093200000000, -0.0021799700000000, -0.0005102200000000 ] - [ -0.0007093200000000, -0.0021799700000000, -0.0005102200000000 ] - [ 0.0000000000000000, -0.0023841200000000, 0.0013980300000000 ] - [ 0.0001757500000000, -0.0021562200000000, -0.0001175500000000 ] - [ -0.0001757500000000, -0.0021562200000000, -0.0001175500000000 ] - [ -0.0006749400000000, 0.0022287700000000, -0.0024900700000000 ] - [ 0.0000000000000000, 0.0022035400000000, -0.0010698500000000 ] - [ 0.0006749400000000, 0.0022287700000000, -0.0024900700000000 ] - [ 0.0000000000000000, 0.0022601400000000, 0.0007875200000000 ] - [ -0.0000537700000000, 0.0022450500000000, 0.0007347200000000 ] - [ 0.0000537700000000, 0.0022450500000000, 0.0007347200000000 ] - [ -0.0000468300000000, -0.0022259200000000, 0.0003617500000000 ] - [ 0.0000000000000000, -0.0021796600000000, 0.0004382700000000 ] - [ 0.0000468300000000, -0.0022259200000000, 0.0003617500000000 ] - [ 0.0000276000000000, -0.0022592700000000, -0.0004543300000000 ] - [ 0.0000000000000000, -0.0022523100000000, -0.0004298800000000 ] - [ -0.0000276000000000, -0.0022592700000000, -0.0004543300000000 ] - [ 0.0000000000000000, 0.0023161200000000, -0.0008357700000000 ] - [ -0.0002464500000000, 0.0022740400000000, -0.0007684700000000 ] - [ 0.0002464500000000, 0.0022740400000000, -0.0007684700000000 ] - [ 0.0000000000000000, -0.0028473000000000, 0.0006074900000000 ] - [ 0.0002463700000000, -0.0019970300000000, 0.0006530500000000 ] - [ -0.0002463700000000, -0.0019970300000000, 0.0006530500000000 ] - [ 0.0000000000000000, -0.0026311300000000, -0.0006150000000000 ] - [ -0.0001555000000000, -0.0032781800000000, -0.0001795700000000 ] - [ 0.0001555000000000, -0.0032781800000000, -0.0001795700000000 ] - [ -0.0073451100000000, 0.0065341400000000, -0.0030446400000000 ] - [ 0.0000000000000000, 0.0023661100000000, -0.0010589600000000 ] - [ 0.0073451100000000, 0.0065341400000000, -0.0030446400000000 ] - [ -0.0000592600000000, 0.0022053800000000, 0.0011493000000000 ] - [ 0.0000000000000000, 0.0022287100000000, 0.0010353900000000 ] - [ 0.0000592600000000, 0.0022053800000000, 0.0011493000000000 ] - [ -0.0000664200000000, 0.0028729600000000, 0.0001137200000000 ] - [ 0.0000000000000000, 0.0027254800000000, 0.0000024800000000 ] - [ 0.0000664200000000, 0.0028729600000000, 0.0001137200000000 ] - [ 0.0000000000000000, -0.0021672900000000, -0.0008990600000000 ] - [ 0.0000773600000000, -0.0021483900000000, -0.0008797500000000 ] - [ -0.0000773600000000, -0.0021483900000000, -0.0008797500000000 ] - [ -0.0001217600000000, -0.0024409100000000, 0.0005732800000000 ] - [ 0.0000000000000000, -0.0022569900000000, 0.0008726600000000 ] - [ 0.0001217600000000, -0.0024409100000000, 0.0005732800000000 ] - [ -0.0000130000000000, -0.0029404900000000, 0.0000938300000000 ] - [ 0.0000000000000000, -0.0029540400000000, 0.0000026500000000 ] - [ 0.0000130000000000, -0.0029404900000000, 0.0000938300000000 ] - [ 0.0000000000000000, 0.0020226100000000, -0.0012878900000000 ] - [ -0.0000057800000000, 0.0021715600000000, -0.0011121400000000 ] - [ 0.0000057800000000, 0.0021715600000000, -0.0011121400000000 ] - [ 0.0000000000000000, 0.0021511100000000, 0.0010452900000000 ] - [ 0.0000124700000000, 0.0021436100000000, 0.0010546500000000 ] - [ -0.0000124700000000, 0.0021436100000000, 0.0010546500000000 ] - [ 0.0000000000000000, 0.0028582400000000, 0.0000260400000000 ] - [ 0.0000017400000000, 0.0028507300000000, 0.0000527000000000 ] - [ -0.0000017400000000, 0.0028507300000000, 0.0000527000000000 ] - [ 0.0000085800000000, -0.0023359600000000, -0.0008208900000000 ] - [ 0.0000000000000000, -0.0022560400000000, -0.0009158500000000 ] - [ -0.0000085800000000, -0.0023359600000000, -0.0008208900000000 ] - [ -0.0001160700000000, 0.0011894500000000, 0.0002269200000000 ] - [ 0.0000000000000000, 0.0011045900000000, 0.0005112700000000 ] - [ 0.0001160700000000, 0.0011894500000000, 0.0002269200000000 ] - [ 0.0000000000000000, -0.0068282600000000, 0.0701284600000000 ] - [ 0.0006128800000000, -0.0041634600000000, -0.0005795400000000 ] - [ -0.0006128800000000, -0.0041634600000000, -0.0005795400000000 ] - [ 0.0000000000000000, -0.0010142800000000, -0.0010319900000000 ] - [ 0.0000476200000000, -0.0009277300000000, -0.0012156000000000 ] - [ -0.0000476200000000, -0.0009277300000000, -0.0012156000000000 ] - [ 0.0000000000000000, -0.0038595100000000, -0.0066330500000000 ] - [ -0.0001317100000000, -0.0027094100000000, -0.0001908600000000 ] - [ 0.0001317100000000, -0.0027094100000000, -0.0001908600000000 ] - [ -0.0002274800000000, 0.0040391600000000, -0.0018028600000000 ] - [ 0.0000000000000000, 0.0040806100000000, -0.0015201400000000 ] - [ 0.0002274800000000, 0.0040391600000000, -0.0018028600000000 ] - [ -0.0024272900000000, 0.0022364700000000, 0.0011435900000000 ] - [ 0.0000000000000000, 0.0041711300000000, 0.0017450800000000 ] - [ 0.0024272900000000, 0.0022364700000000, 0.0011435900000000 ] - [ 0.0000000000000000, 0.0005995400000000, 0.0012242200000000 ] - [ 0.0008071700000000, -0.0003868400000000, 0.0007424500000000 ] - [ -0.0008071700000000, -0.0003868400000000, 0.0007424500000000 ] - [ 0.0013857400000000, 0.0041255300000000, -0.0021933200000000 ] - [ 0.0000000000000000, 0.0029103200000000, -0.0000312100000000 ] - [ -0.0013857400000000, 0.0041255300000000, -0.0021933200000000 ] - [ 0.0000000000000000, -0.0043540100000000, 0.0005504800000000 ] - [ 0.0000329900000000, -0.0043035300000000, 0.0010258200000000 ] - [ -0.0000329900000000, -0.0043035300000000, 0.0010258200000000 ] - [ -0.0024912700000000, 0.0026077500000000, -0.0045518800000000 ] - [ 0.0000000000000000, 0.0011167400000000, -0.0004202000000000 ] - [ 0.0024912700000000, 0.0026077500000000, -0.0045518800000000 ] - [ 0.0000000000000000, 0.0010523700000000, 0.0005743100000000 ] - [ -0.0000192100000000, 0.0011031000000000, 0.0005531300000000 ] - [ 0.0000192100000000, 0.0011031000000000, 0.0005531300000000 ] - [ 0.0001719000000000, -0.0040833700000000, -0.0010499700000000 ] - [ 0.0000000000000000, -0.0041186100000000, -0.0011848300000000 ] - [ -0.0001719000000000, -0.0040833700000000, -0.0010499700000000 ] - [ 0.0001472600000000, -0.0011686100000000, -0.0011126400000000 ] - [ 0.0000000000000000, -0.0010689700000000, -0.0008493700000000 ] - [ -0.0001472600000000, -0.0011686100000000, -0.0011126400000000 ] - [ -0.0000086700000000, -0.0026250100000000, -0.0000480200000000 ] - [ 0.0000000000000000, -0.0026438500000000, -0.0000766100000000 ] - [ 0.0000086700000000, -0.0026250100000000, -0.0000480200000000 ] - [ 0.0000000000000000, 0.0042596100000000, -0.0014375000000000 ] - [ 0.0000097600000000, 0.0042388000000000, -0.0014647100000000 ] - [ -0.0000097600000000, 0.0042388000000000, -0.0014647100000000 ] - [ 0.0000000000000000, 0.0042510700000000, 0.0015163500000000 ] - [ -0.0000080700000000, 0.0043169900000000, 0.0015016700000000 ] - [ 0.0000080700000000, 0.0043169900000000, 0.0015016700000000 ] - [ 0.0003318100000000, -0.0018681600000000, 0.0007658300000000 ] - [ 0.0000000000000000, -0.0010377800000000, 0.0008711300000000 ] - [ -0.0003318100000000, -0.0018681600000000, 0.0007658300000000 ] - [ 0.0000000000000000, 0.0027953600000000, -0.0001088000000000 ] - [ 0.0000124800000000, 0.0028043400000000, -0.0000811000000000 ] - [ -0.0000124800000000, 0.0028043400000000, -0.0000811000000000 ] - [ 0.0000147300000000, -0.0041861100000000, 0.0011901800000000 ] - [ 0.0000000000000000, -0.0041729600000000, 0.0011864500000000 ] - [ -0.0000147300000000, -0.0041861100000000, 0.0011901800000000 ] - [ 0.0000000000000000, 0.0009782200000000, -0.0005992300000000 ] - [ -0.0000881000000000, 0.0008635900000000, -0.0006454700000000 ] - [ 0.0000881000000000, 0.0008635900000000, -0.0006454700000000 ]- atom: 82 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0030073800000000, 0.0036298800000000, 0.0000000000000000 ] - [ -0.0002204500000000, -0.0005187100000000, 0.0000000000000000 ] - [ 0.0029731500000000, -0.0045727000000000, 0.0000000000000000 ] - [ 0.0001320400000000, 0.0005200400000000, 0.0000000000000000 ] - [ -0.0000731800000000, 0.0005254000000000, 0.0000000000000000 ] - [ -0.0000739400000000, 0.0005114900000000, 0.0000000000000000 ] - [ 0.0001862200000000, -0.0005185300000000, 0.0000000000000000 ] - [ 0.0000569800000000, -0.0006412000000000, 0.0000000000000000 ] - [ 0.0000550900000000, -0.0004033400000000, 0.0000000000000000 ] - [ 0.0000581200000000, 0.0005217900000000, 0.0000000000000000 ] - [ -0.0000372400000000, 0.0005188900000000, 0.0000000000000000 ] - [ 0.0000574900000000, 0.0005160400000000, 0.0000000000000000 ] - [ 0.0000607800000000, 0.0022332000000000, 0.0002112300000000 ] - [ -0.0003122400000000, 0.0022179700000000, 0.0005874700000000 ] - [ 0.0000591200000000, 0.0022034800000000, 0.0009621300000000 ] - [ 0.0011535200000000, -0.0021910400000000, 0.0006705400000000 ] - [ 0.0001316600000000, -0.0022332300000000, 0.0005376700000000 ] - [ 0.0001188500000000, -0.0021928600000000, 0.0006250100000000 ] - [ 0.0011535200000000, -0.0021910400000000, -0.0006705400000000 ] - [ 0.0001316600000000, -0.0022332300000000, -0.0005376700000000 ] - [ 0.0001188500000000, -0.0021928600000000, -0.0006250100000000 ] - [ 0.0000607800000000, 0.0022332000000000, -0.0002112300000000 ] - [ -0.0003122400000000, 0.0022179700000000, -0.0005874700000000 ] - [ 0.0000591200000000, 0.0022034800000000, -0.0009621300000000 ] - [ 0.0004388400000000, 0.0022160000000000, 0.0005882800000000 ] - [ -0.0002091000000000, 0.0023219100000000, 0.0005814700000000 ] - [ -0.0002086700000000, 0.0021094400000000, 0.0005939300000000 ] - [ 0.0001774500000000, -0.0021811600000000, 0.0005899700000000 ] - [ -0.0003653000000000, -0.0022178700000000, 0.0005866200000000 ] - [ 0.0001767800000000, -0.0022541300000000, 0.0005841700000000 ] - [ 0.0001774500000000, -0.0021811600000000, -0.0005899700000000 ] - [ -0.0003653000000000, -0.0022178700000000, -0.0005866200000000 ] - [ 0.0001767800000000, -0.0022541300000000, -0.0005841700000000 ] - [ 0.0004388400000000, 0.0022160000000000, -0.0005882800000000 ] - [ -0.0002091000000000, 0.0023219100000000, -0.0005814700000000 ] - [ -0.0002086700000000, 0.0021094400000000, -0.0005939300000000 ] - [ 0.0002443200000000, -0.0022201300000000, 0.0009779600000000 ] - [ -0.0001197500000000, -0.0022907600000000, 0.0009174900000000 ] - [ -0.0001194500000000, -0.0021453300000000, 0.0010327300000000 ] - [ 0.0000390100000000, -0.0028999500000000, 0.0000000000000000 ] - [ 0.0000452200000000, -0.0028344800000000, 0.0000000000000000 ] - [ 0.0000458000000000, -0.0029625900000000, 0.0000000000000000 ] - [ 0.0003367100000000, 0.0020732200000000, -0.0007396700000000 ] - [ -0.0000453300000000, 0.0022211500000000, -0.0009799800000000 ] - [ 0.0003344800000000, 0.0023639800000000, -0.0012144000000000 ] - [ 0.0003367100000000, 0.0020732200000000, 0.0007396700000000 ] - [ -0.0000453300000000, 0.0022211500000000, 0.0009799800000000 ] - [ 0.0003344800000000, 0.0023639800000000, 0.0012144000000000 ] - [ 0.0328952200000000, -0.0166241600000000, 0.0000000000000000 ] - [ -0.0002786700000000, 0.0029042200000000, 0.0000000000000000 ] - [ 0.0314350800000000, 0.0213253800000000, 0.0000000000000000 ] - [ 0.0002443200000000, -0.0022201300000000, -0.0009779600000000 ] - [ -0.0001197500000000, -0.0022907600000000, -0.0009174900000000 ] - [ -0.0001194500000000, -0.0021453300000000, -0.0010327300000000 ] - [ 0.0001949900000000, -0.0016583100000000, 0.0012000400000000 ] - [ -0.0000477000000000, -0.0022206900000000, 0.0009780500000000 ] - [ 0.0001930400000000, -0.0027759000000000, 0.0007540800000000 ] - [ 0.0000141500000000, -0.0027168200000000, 0.0000000000000000 ] - [ -0.0000208900000000, -0.0028992000000000, 0.0000000000000000 ] - [ 0.0000142900000000, -0.0030813500000000, 0.0000000000000000 ] - [ 0.0000001900000000, 0.0022215400000000, -0.0009768000000000 ] - [ -0.0000008600000000, 0.0021741500000000, -0.0009173900000000 ] - [ -0.0000012700000000, 0.0022639700000000, -0.0010328100000000 ] - [ 0.0000001900000000, 0.0022215400000000, 0.0009768000000000 ] - [ -0.0000008600000000, 0.0021741500000000, 0.0009173900000000 ] - [ -0.0000012700000000, 0.0022639700000000, 0.0010328100000000 ] - [ 0.0000346100000000, 0.0028931100000000, 0.0000000000000000 ] - [ -0.0000089400000000, 0.0028675600000000, 0.0000000000000000 ] - [ -0.0000088900000000, 0.0029299500000000, 0.0000000000000000 ] - [ 0.0001949900000000, -0.0016583100000000, -0.0012000400000000 ] - [ -0.0000477000000000, -0.0022206900000000, -0.0009780500000000 ] - [ 0.0001930400000000, -0.0027759000000000, -0.0007540800000000 ] - [ 0.0006113500000000, -0.0011797800000000, 0.0038683300000000 ] - [ 0.0001226800000000, 0.0010793400000000, 0.0007317300000000 ] - [ 0.0006122400000000, 0.0033116100000000, -0.0023764400000000 ] - [ -0.0003869900000000, -0.0041997400000000, -0.0013010000000000 ] - [ 0.0001506200000000, -0.0041238100000000, -0.0014371700000000 ] - [ 0.0001507200000000, -0.0042754100000000, -0.0011720800000000 ] - [ -0.0001188400000000, -0.0010796200000000, -0.0007323800000000 ] - [ 0.0001445400000000, -0.0010098700000000, -0.0005097400000000 ] - [ 0.0001438900000000, -0.0011473100000000, -0.0009561800000000 ] - [ -0.0949602500000000, -0.0017618400000000, 0.0000000000000000 ] - [ 0.0059257300000000, -0.0033751300000000, 0.0000000000000000 ] - [ 0.0058255100000000, -0.0020847100000000, 0.0000000000000000 ] - [ 0.0010932300000000, 0.0048331000000000, 0.0000747400000000 ] - [ 0.0001706800000000, 0.0041988500000000, -0.0013060600000000 ] - [ 0.0010812100000000, 0.0035723000000000, -0.0026727500000000 ] - [ 0.0010932300000000, 0.0048331000000000, -0.0000747400000000 ] - [ 0.0001706800000000, 0.0041988500000000, 0.0013060600000000 ] - [ 0.0010812100000000, 0.0035723000000000, 0.0026727500000000 ] - [ -0.0001188400000000, -0.0010796200000000, 0.0007323800000000 ] - [ 0.0001445400000000, -0.0010098700000000, 0.0005097400000000 ] - [ 0.0001438900000000, -0.0011473100000000, 0.0009561800000000 ] - [ 0.0001667600000000, 0.0027348900000000, 0.0000000000000000 ] - [ 0.0000282600000000, 0.0027325900000000, 0.0000000000000000 ] - [ 0.0001676100000000, 0.0027297700000000, 0.0000000000000000 ] - [ -0.0003869900000000, -0.0041997400000000, 0.0013010000000000 ] - [ 0.0001506200000000, -0.0041238100000000, 0.0014371700000000 ] - [ 0.0001507200000000, -0.0042754100000000, 0.0011720800000000 ] - [ 0.0006113500000000, -0.0011797800000000, -0.0038683300000000 ] - [ 0.0001226800000000, 0.0010793400000000, -0.0007317300000000 ] - [ 0.0006122400000000, 0.0033116100000000, 0.0023764400000000 ] - [ -0.0001022900000000, 0.0010802800000000, 0.0007327700000000 ] - [ 0.0000704700000000, 0.0011357100000000, 0.0008859200000000 ] - [ 0.0000700600000000, 0.0010230500000000, 0.0005826300000000 ] - [ -0.0000560600000000, -0.0042073400000000, -0.0013136300000000 ] - [ 0.0001448000000000, -0.0042004700000000, -0.0013052500000000 ] - [ -0.0000575200000000, -0.0041925500000000, -0.0012968800000000 ] - [ -0.0000381200000000, -0.0012847700000000, -0.0003909000000000 ] - [ 0.0000637500000000, -0.0010792000000000, -0.0007323800000000 ] - [ -0.0000379600000000, -0.0008767700000000, -0.0010723100000000 ] - [ -0.0000319200000000, -0.0026800200000000, 0.0000000000000000 ] - [ 0.0000763100000000, -0.0027331500000000, 0.0000000000000000 ] - [ -0.0000331300000000, -0.0027852100000000, 0.0000000000000000 ] - [ -0.0001181100000000, 0.0042001200000000, -0.0013068400000000 ] - [ 0.0001860700000000, 0.0039425400000000, -0.0012929800000000 ] - [ 0.0001863600000000, 0.0044567200000000, -0.0013200100000000 ] - [ -0.0001181100000000, 0.0042001200000000, 0.0013068400000000 ] - [ 0.0001860700000000, 0.0039425400000000, 0.0012929800000000 ] - [ 0.0001863600000000, 0.0044567200000000, 0.0013200100000000 ] - [ -0.0000381200000000, -0.0012847700000000, 0.0003909000000000 ] - [ 0.0000637500000000, -0.0010792000000000, 0.0007323800000000 ] - [ -0.0000379600000000, -0.0008767700000000, 0.0010723100000000 ] - [ -0.0002534300000000, 0.0027335600000000, 0.0000000000000000 ] - [ 0.0001029400000000, 0.0025277900000000, 0.0000000000000000 ] - [ 0.0001023600000000, 0.0029395800000000, 0.0000000000000000 ] - [ -0.0000560600000000, -0.0042073400000000, 0.0013136300000000 ] - [ 0.0001448000000000, -0.0042004700000000, 0.0013052500000000 ] - [ -0.0000575200000000, -0.0041925500000000, 0.0012968800000000 ] - [ -0.0001022900000000, 0.0010802800000000, -0.0007327700000000 ] - [ 0.0000704700000000, 0.0011357100000000, -0.0008859200000000 ] - [ 0.0000700600000000, 0.0010230500000000, -0.0005826300000000 ]- atom: 82 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0040582900000000, 0.0039924900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0006849800000000, 0.0000000000000000 ] - [ -0.0040582900000000, 0.0039924900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0007782900000000, 0.0000000000000000 ] - [ 0.0001057700000000, 0.0006420100000000, 0.0000000000000000 ] - [ -0.0001057700000000, 0.0006420100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0014713700000000, 0.0000000000000000 ] - [ 0.0000178500000000, -0.0003387400000000, 0.0000000000000000 ] - [ -0.0000178500000000, -0.0003387400000000, 0.0000000000000000 ] - [ 0.0000356500000000, 0.0003603100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004251900000000, 0.0000000000000000 ] - [ -0.0000356500000000, 0.0003603100000000, 0.0000000000000000 ] - [ 0.0001345400000000, 0.0027612700000000, -0.0000441500000000 ] - [ 0.0000000000000000, 0.0025312400000000, 0.0004775300000000 ] - [ -0.0001345400000000, 0.0027612700000000, -0.0000441500000000 ] - [ 0.0000000000000000, 0.0020231100000000, 0.0114441500000000 ] - [ 0.0002173500000000, -0.0009848200000000, 0.0013984000000000 ] - [ -0.0002173500000000, -0.0009848200000000, 0.0013984000000000 ] - [ 0.0000000000000000, 0.0020231100000000, -0.0114441500000000 ] - [ 0.0002173500000000, -0.0009848200000000, -0.0013984000000000 ] - [ -0.0002173500000000, -0.0009848200000000, -0.0013984000000000 ] - [ 0.0001345400000000, 0.0027612700000000, 0.0000441500000000 ] - [ 0.0000000000000000, 0.0025312400000000, -0.0004775300000000 ] - [ -0.0001345400000000, 0.0027612700000000, 0.0000441500000000 ] - [ 0.0000000000000000, 0.0018298700000000, 0.0002832500000000 ] - [ 0.0002874100000000, 0.0019860100000000, 0.0004257800000000 ] - [ -0.0002874100000000, 0.0019860100000000, 0.0004257800000000 ] - [ 0.0000132200000000, -0.0027866500000000, 0.0008373600000000 ] - [ 0.0000000000000000, -0.0026291800000000, 0.0007465400000000 ] - [ -0.0000132200000000, -0.0027866500000000, 0.0008373600000000 ] - [ 0.0000132200000000, -0.0027866500000000, -0.0008373600000000 ] - [ 0.0000000000000000, -0.0026291800000000, -0.0007465400000000 ] - [ -0.0000132200000000, -0.0027866500000000, -0.0008373600000000 ] - [ 0.0000000000000000, 0.0018298700000000, -0.0002832500000000 ] - [ 0.0002874100000000, 0.0019860100000000, -0.0004257800000000 ] - [ -0.0002874100000000, 0.0019860100000000, -0.0004257800000000 ] - [ 0.0000000000000000, -0.0023911000000000, 0.0010296700000000 ] - [ -0.0001085300000000, -0.0024564300000000, 0.0009648500000000 ] - [ 0.0001085300000000, -0.0024564300000000, 0.0009648500000000 ] - [ 0.0000000000000000, -0.0028062900000000, 0.0000000000000000 ] - [ 0.0000344000000000, -0.0028006100000000, 0.0000000000000000 ] - [ -0.0000344000000000, -0.0028006100000000, 0.0000000000000000 ] - [ -0.0003834200000000, 0.0024219900000000, -0.0015418100000000 ] - [ 0.0000000000000000, 0.0022122300000000, -0.0009259900000000 ] - [ 0.0003834200000000, 0.0024219900000000, -0.0015418100000000 ] - [ -0.0003834200000000, 0.0024219900000000, 0.0015418100000000 ] - [ 0.0000000000000000, 0.0022122300000000, 0.0009259900000000 ] - [ 0.0003834200000000, 0.0024219900000000, 0.0015418100000000 ] - [ -0.0205993500000000, 0.0159263100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0033992300000000, 0.0000000000000000 ] - [ 0.0205993500000000, 0.0159263100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0023911000000000, -0.0010296700000000 ] - [ -0.0001085300000000, -0.0024564300000000, -0.0009648500000000 ] - [ 0.0001085300000000, -0.0024564300000000, -0.0009648500000000 ] - [ -0.0002019600000000, -0.0028492800000000, 0.0007707600000000 ] - [ 0.0000000000000000, -0.0021189800000000, 0.0010032400000000 ] - [ 0.0002019600000000, -0.0028492800000000, 0.0007707600000000 ] - [ 0.0000126400000000, -0.0032242500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0028005400000000, 0.0000000000000000 ] - [ -0.0000126400000000, -0.0032242500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0022051500000000, -0.0008770500000000 ] - [ 0.0000139700000000, 0.0021774200000000, -0.0008796100000000 ] - [ -0.0000139700000000, 0.0021774200000000, -0.0008796100000000 ] - [ 0.0000000000000000, 0.0022051500000000, 0.0008770500000000 ] - [ 0.0000139700000000, 0.0021774200000000, 0.0008796100000000 ] - [ -0.0000139700000000, 0.0021774200000000, 0.0008796100000000 ] - [ 0.0000000000000000, 0.0028639300000000, 0.0000000000000000 ] - [ 0.0000108500000000, 0.0028648200000000, 0.0000000000000000 ] - [ -0.0000108500000000, 0.0028648200000000, 0.0000000000000000 ] - [ -0.0002019600000000, -0.0028492800000000, -0.0007707600000000 ] - [ 0.0000000000000000, -0.0021189800000000, -0.0010032400000000 ] - [ 0.0002019600000000, -0.0028492800000000, -0.0007707600000000 ] - [ -0.0015822500000000, 0.0034448500000000, -0.0036541400000000 ] - [ 0.0000000000000000, 0.0008127700000000, 0.0009203400000000 ] - [ 0.0015822500000000, 0.0034448500000000, -0.0036541400000000 ] - [ 0.0000000000000000, -0.0042576600000000, -0.0001741100000000 ] - [ -0.0000944800000000, -0.0046124200000000, -0.0013367200000000 ] - [ 0.0000944800000000, -0.0046124200000000, -0.0013367200000000 ] - [ 0.0000000000000000, -0.0010890100000000, -0.0005946800000000 ] - [ 0.0000752100000000, -0.0010555000000000, -0.0004289700000000 ] - [ -0.0000752100000000, -0.0010555000000000, -0.0004289700000000 ] - [ 0.0000000000000000, -0.0599802600000000, 0.0000000000000000 ] - [ 0.0006377200000000, -0.0030469400000000, 0.0000000000000000 ] - [ -0.0006377200000000, -0.0030469400000000, 0.0000000000000000 ] - [ 0.0011011100000000, 0.0044394200000000, 0.0000717600000000 ] - [ 0.0000000000000000, 0.0041520600000000, -0.0011386900000000 ] - [ -0.0011011100000000, 0.0044394200000000, 0.0000717600000000 ] - [ 0.0011011100000000, 0.0044394200000000, -0.0000717600000000 ] - [ 0.0000000000000000, 0.0041520600000000, 0.0011386900000000 ] - [ -0.0011011100000000, 0.0044394200000000, -0.0000717600000000 ] - [ 0.0000000000000000, -0.0010890100000000, 0.0005946800000000 ] - [ 0.0000752100000000, -0.0010555000000000, 0.0004289700000000 ] - [ -0.0000752100000000, -0.0010555000000000, 0.0004289700000000 ] - [ 0.0000011100000000, 0.0025006400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0025353200000000, 0.0000000000000000 ] - [ -0.0000011100000000, 0.0025006400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0042576600000000, 0.0001741100000000 ] - [ -0.0000944800000000, -0.0046124200000000, 0.0013367200000000 ] - [ 0.0000944800000000, -0.0046124200000000, 0.0013367200000000 ] - [ -0.0015822500000000, 0.0034448500000000, 0.0036541400000000 ] - [ 0.0000000000000000, 0.0008127700000000, -0.0009203400000000 ] - [ 0.0015822500000000, 0.0034448500000000, 0.0036541400000000 ] - [ 0.0000000000000000, 0.0013656200000000, 0.0009798500000000 ] - [ 0.0000580100000000, 0.0013768200000000, 0.0010626800000000 ] - [ -0.0000580100000000, 0.0013768200000000, 0.0010626800000000 ] - [ -0.0000399100000000, -0.0040145200000000, -0.0014226200000000 ] - [ 0.0000000000000000, -0.0040182300000000, -0.0014034100000000 ] - [ 0.0000399100000000, -0.0040145200000000, -0.0014226200000000 ] - [ -0.0000363300000000, -0.0008297300000000, -0.0012841400000000 ] - [ 0.0000000000000000, -0.0011431500000000, -0.0005996000000000 ] - [ 0.0000363300000000, -0.0008297300000000, -0.0012841400000000 ] - [ -0.0000523400000000, -0.0025494600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0026490500000000, 0.0000000000000000 ] - [ 0.0000523400000000, -0.0025494600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0044945100000000, -0.0012526300000000 ] - [ -0.0001271500000000, 0.0045249000000000, -0.0012437300000000 ] - [ 0.0001271500000000, 0.0045249000000000, -0.0012437300000000 ] - [ 0.0000000000000000, 0.0044945100000000, 0.0012526300000000 ] - [ -0.0001271500000000, 0.0045249000000000, 0.0012437300000000 ] - [ 0.0001271500000000, 0.0045249000000000, 0.0012437300000000 ] - [ -0.0000363300000000, -0.0008297300000000, 0.0012841400000000 ] - [ 0.0000000000000000, -0.0011431500000000, 0.0005996000000000 ] - [ 0.0000363300000000, -0.0008297300000000, 0.0012841400000000 ] - [ 0.0000000000000000, 0.0034951600000000, 0.0000000000000000 ] - [ -0.0002053000000000, 0.0030551700000000, 0.0000000000000000 ] - [ 0.0002053000000000, 0.0030551700000000, 0.0000000000000000 ] - [ -0.0000399100000000, -0.0040145200000000, 0.0014226200000000 ] - [ 0.0000000000000000, -0.0040182300000000, 0.0014034100000000 ] - [ 0.0000399100000000, -0.0040145200000000, 0.0014226200000000 ] - [ 0.0000000000000000, 0.0013656200000000, -0.0009798500000000 ] - [ 0.0000580100000000, 0.0013768200000000, -0.0010626800000000 ] - [ -0.0000580100000000, 0.0013768200000000, -0.0010626800000000 ]- atom: 82 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0039189600000000, -0.0048929000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003507400000000, 0.0000000000000000 ] - [ 0.0039189600000000, -0.0048929000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002606700000000, 0.0000000000000000 ] - [ -0.0001053300000000, 0.0003986500000000, 0.0000000000000000 ] - [ 0.0001053300000000, 0.0003986500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004203100000000, 0.0000000000000000 ] - [ -0.0000190500000000, -0.0007055900000000, 0.0000000000000000 ] - [ 0.0000190500000000, -0.0007055900000000, 0.0000000000000000 ] - [ -0.0000368200000000, 0.0006830300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0006175600000000, 0.0000000000000000 ] - [ 0.0000368200000000, 0.0006830300000000, 0.0000000000000000 ] - [ -0.0001295300000000, 0.0016791400000000, 0.0012169000000000 ] - [ 0.0000000000000000, 0.0019039300000000, 0.0006980200000000 ] - [ 0.0001295300000000, 0.0016791400000000, 0.0012169000000000 ] - [ 0.0000000000000000, -0.0063286000000000, -0.0102856600000000 ] - [ -0.0002189300000000, -0.0034500600000000, -0.0002394500000000 ] - [ 0.0002189300000000, -0.0034500600000000, -0.0002394500000000 ] - [ 0.0000000000000000, -0.0063286000000000, 0.0102856600000000 ] - [ -0.0002189300000000, -0.0034500600000000, 0.0002394500000000 ] - [ 0.0002189300000000, -0.0034500600000000, 0.0002394500000000 ] - [ -0.0001295300000000, 0.0016791400000000, -0.0012169000000000 ] - [ 0.0000000000000000, 0.0019039300000000, -0.0006980200000000 ] - [ 0.0001295300000000, 0.0016791400000000, -0.0012169000000000 ] - [ 0.0000000000000000, 0.0026048900000000, 0.0008912000000000 ] - [ -0.0002876300000000, 0.0024492100000000, 0.0007484300000000 ] - [ 0.0002876300000000, 0.0024492100000000, 0.0007484300000000 ] - [ -0.0000136600000000, -0.0016509200000000, 0.0003365100000000 ] - [ 0.0000000000000000, -0.0018082100000000, 0.0004263700000000 ] - [ 0.0000136600000000, -0.0016509200000000, 0.0003365100000000 ] - [ -0.0000136600000000, -0.0016509200000000, -0.0003365100000000 ] - [ 0.0000000000000000, -0.0018082100000000, -0.0004263700000000 ] - [ 0.0000136600000000, -0.0016509200000000, -0.0003365100000000 ] - [ 0.0000000000000000, 0.0026048900000000, -0.0008912000000000 ] - [ -0.0002876300000000, 0.0024492100000000, -0.0007484300000000 ] - [ 0.0002876300000000, 0.0024492100000000, -0.0007484300000000 ] - [ 0.0000000000000000, -0.0020571300000000, 0.0009265700000000 ] - [ 0.0001074800000000, -0.0019903000000000, 0.0009914900000000 ] - [ -0.0001074800000000, -0.0019903000000000, 0.0009914900000000 ] - [ 0.0000000000000000, -0.0029855100000000, 0.0000000000000000 ] - [ -0.0000349500000000, -0.0029909600000000, 0.0000000000000000 ] - [ 0.0000349500000000, -0.0029909600000000, 0.0000000000000000 ] - [ 0.0003876500000000, 0.0020228400000000, -0.0004116200000000 ] - [ 0.0000000000000000, 0.0022375700000000, -0.0010324300000000 ] - [ -0.0003876500000000, 0.0020228400000000, -0.0004116200000000 ] - [ 0.0003876500000000, 0.0020228400000000, 0.0004116200000000 ] - [ 0.0000000000000000, 0.0022375700000000, 0.0010324300000000 ] - [ -0.0003876500000000, 0.0020228400000000, 0.0004116200000000 ] - [ 0.0211816500000000, -0.0102778400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0023845300000000, 0.0000000000000000 ] - [ -0.0211816500000000, -0.0102778400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0020571300000000, -0.0009265700000000 ] - [ 0.0001074800000000, -0.0019903000000000, -0.0009914900000000 ] - [ -0.0001074800000000, -0.0019903000000000, -0.0009914900000000 ] - [ 0.0002033400000000, -0.0015970900000000, 0.0011834000000000 ] - [ 0.0000000000000000, -0.0023309000000000, 0.0009539600000000 ] - [ -0.0002033400000000, -0.0015970900000000, 0.0011834000000000 ] - [ -0.0000130100000000, -0.0025670800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0029942900000000, 0.0000000000000000 ] - [ 0.0000130100000000, -0.0025670800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0022452900000000, -0.0010790700000000 ] - [ -0.0000139800000000, 0.0022720200000000, -0.0010745900000000 ] - [ 0.0000139800000000, 0.0022720200000000, -0.0010745900000000 ] - [ 0.0000000000000000, 0.0022452900000000, 0.0010790700000000 ] - [ -0.0000139800000000, 0.0022720200000000, 0.0010745900000000 ] - [ 0.0000139800000000, 0.0022720200000000, 0.0010745900000000 ] - [ 0.0000000000000000, 0.0029030400000000, 0.0000000000000000 ] - [ -0.0000107000000000, 0.0029222800000000, 0.0000000000000000 ] - [ 0.0000107000000000, 0.0029222800000000, 0.0000000000000000 ] - [ 0.0002033400000000, -0.0015970900000000, -0.0011834000000000 ] - [ 0.0000000000000000, -0.0023309000000000, -0.0009539600000000 ] - [ -0.0002033400000000, -0.0015970900000000, -0.0011834000000000 ] - [ 0.0015915100000000, -0.0013103900000000, 0.0051388100000000 ] - [ 0.0000000000000000, 0.0013375700000000, 0.0005307100000000 ] - [ -0.0015915100000000, -0.0013103900000000, 0.0051388100000000 ] - [ 0.0000000000000000, -0.0041558000000000, -0.0024276400000000 ] - [ 0.0000970400000000, -0.0037905300000000, -0.0012862600000000 ] - [ -0.0000970400000000, -0.0037905300000000, -0.0012862600000000 ] - [ 0.0000000000000000, -0.0010577000000000, -0.0008613400000000 ] - [ -0.0000755700000000, -0.0010923700000000, -0.0010234400000000 ] - [ 0.0000755700000000, -0.0010923700000000, -0.0010234400000000 ] - [ 0.0000000000000000, 0.0543639000000000, 0.0000000000000000 ] - [ -0.0006508000000000, -0.0023910700000000, 0.0000000000000000 ] - [ 0.0006508000000000, -0.0023910700000000, 0.0000000000000000 ] - [ -0.0011012900000000, 0.0039630200000000, -0.0026914700000000 ] - [ 0.0000000000000000, 0.0042504100000000, -0.0014879200000000 ] - [ 0.0011012900000000, 0.0039630200000000, -0.0026914700000000 ] - [ -0.0011012900000000, 0.0039630200000000, 0.0026914700000000 ] - [ 0.0000000000000000, 0.0042504100000000, 0.0014879200000000 ] - [ 0.0011012900000000, 0.0039630200000000, 0.0026914700000000 ] - [ 0.0000000000000000, -0.0010577000000000, 0.0008613400000000 ] - [ -0.0000755700000000, -0.0010923700000000, 0.0010234400000000 ] - [ 0.0000755700000000, -0.0010923700000000, 0.0010234400000000 ] - [ -0.0000061300000000, 0.0029404000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0029073600000000, 0.0000000000000000 ] - [ 0.0000061300000000, 0.0029404000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0041558000000000, 0.0024276400000000 ] - [ 0.0000970400000000, -0.0037905300000000, 0.0012862600000000 ] - [ -0.0000970400000000, -0.0037905300000000, 0.0012862600000000 ] - [ 0.0015915100000000, -0.0013103900000000, -0.0051388100000000 ] - [ 0.0000000000000000, 0.0013375700000000, -0.0005307100000000 ] - [ -0.0015915100000000, -0.0013103900000000, -0.0051388100000000 ] - [ 0.0000000000000000, 0.0007809300000000, 0.0004774000000000 ] - [ -0.0000573300000000, 0.0007730900000000, 0.0003920100000000 ] - [ 0.0000573300000000, 0.0007730900000000, 0.0003920100000000 ] - [ 0.0000381700000000, -0.0043905900000000, -0.0012011600000000 ] - [ 0.0000000000000000, -0.0043854700000000, -0.0012208800000000 ] - [ -0.0000381700000000, -0.0043905900000000, -0.0012011600000000 ] - [ 0.0000364100000000, -0.0013197700000000, -0.0001623700000000 ] - [ 0.0000000000000000, -0.0010034600000000, -0.0008516300000000 ] - [ -0.0000364100000000, -0.0013197700000000, -0.0001623700000000 ] - [ 0.0000552600000000, -0.0028940900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0027969800000000, 0.0000000000000000 ] - [ -0.0000552600000000, -0.0028940900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0039121200000000, -0.0013711400000000 ] - [ 0.0001271200000000, 0.0038816300000000, -0.0013812700000000 ] - [ -0.0001271200000000, 0.0038816300000000, -0.0013812700000000 ] - [ 0.0000000000000000, 0.0039121200000000, 0.0013711400000000 ] - [ 0.0001271200000000, 0.0038816300000000, 0.0013812700000000 ] - [ -0.0001271200000000, 0.0038816300000000, 0.0013812700000000 ] - [ 0.0000364100000000, -0.0013197700000000, 0.0001623700000000 ] - [ 0.0000000000000000, -0.0010034600000000, 0.0008516300000000 ] - [ -0.0000364100000000, -0.0013197700000000, 0.0001623700000000 ] - [ 0.0000000000000000, 0.0019501300000000, 0.0000000000000000 ] - [ 0.0002068300000000, 0.0023918900000000, 0.0000000000000000 ] - [ -0.0002068300000000, 0.0023918900000000, 0.0000000000000000 ] - [ 0.0000381700000000, -0.0043905900000000, 0.0012011600000000 ] - [ 0.0000000000000000, -0.0043854700000000, 0.0012208800000000 ] - [ -0.0000381700000000, -0.0043905900000000, 0.0012011600000000 ] - [ 0.0000000000000000, 0.0007809300000000, -0.0004774000000000 ] - [ -0.0000573300000000, 0.0007730900000000, -0.0003920100000000 ] - [ 0.0000573300000000, 0.0007730900000000, -0.0003920100000000 ]- atom: 82 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000052900000000, -0.0005240000000000, 0.0006177100000000 ] - [ 0.0000000000000000, -0.0005177100000000, 0.0003345300000000 ] - [ 0.0000052900000000, -0.0005240000000000, 0.0006177100000000 ] - [ 0.0000000000000000, 0.0005221700000000, -0.0008878500000000 ] - [ -0.0000001300000000, 0.0005208300000000, -0.0004159600000000 ] - [ 0.0000001300000000, 0.0005208300000000, -0.0004159600000000 ] - [ 0.0000000000000000, -0.0005239500000000, 0.0009554000000000 ] - [ -0.0000002100000000, -0.0005198200000000, 0.0005957900000000 ] - [ 0.0000002100000000, -0.0005198200000000, 0.0005957900000000 ] - [ 0.0000002700000000, 0.0005203400000000, -0.0002854100000000 ] - [ 0.0000000000000000, 0.0005203800000000, -0.0002699500000000 ] - [ -0.0000002700000000, 0.0005203400000000, -0.0002854100000000 ] - [ -0.0009954000000000, 0.0012977400000000, -0.0014105300000000 ] - [ 0.0000000000000000, 0.0020943400000000, -0.0000626700000000 ] - [ 0.0009954000000000, 0.0012977400000000, -0.0014105300000000 ] - [ 0.0000000000000000, 0.0090144800000000, 0.0297205800000000 ] - [ 0.0009911800000000, -0.0020726600000000, 0.0017628900000000 ] - [ -0.0009911800000000, -0.0020726600000000, 0.0017628900000000 ] - [ 0.0000000000000000, -0.0139795900000000, 0.0302059000000000 ] - [ -0.0009917200000000, -0.0023650400000000, 0.0006006500000000 ] - [ 0.0009917200000000, -0.0023650400000000, 0.0006006500000000 ] - [ 0.0009869800000000, 0.0031356000000000, -0.0025824000000000 ] - [ 0.0000000000000000, 0.0023464700000000, -0.0012382100000000 ] - [ -0.0009869800000000, 0.0031356000000000, -0.0025824000000000 ] - [ 0.0000000000000000, 0.0027476800000000, -0.0000981000000000 ] - [ -0.0002793100000000, 0.0025069100000000, 0.0000368200000000 ] - [ 0.0002793100000000, 0.0025069100000000, 0.0000368200000000 ] - [ 0.0001087600000000, -0.0023608700000000, 0.0010369200000000 ] - [ 0.0000000000000000, -0.0023223000000000, 0.0010062300000000 ] - [ -0.0001087600000000, -0.0023608700000000, 0.0010369200000000 ] - [ -0.0001062600000000, -0.0020801500000000, -0.0001334800000000 ] - [ 0.0000000000000000, -0.0021187900000000, -0.0001635300000000 ] - [ 0.0001062600000000, -0.0020801500000000, -0.0001334800000000 ] - [ 0.0000000000000000, 0.0016931500000000, -0.0012730500000000 ] - [ 0.0002782800000000, 0.0019320600000000, -0.0011373000000000 ] - [ -0.0002782800000000, 0.0019320600000000, -0.0011373000000000 ] - [ 0.0000000000000000, -0.0021041400000000, 0.0010532700000000 ] - [ 0.0004176900000000, -0.0017740000000000, 0.0008988100000000 ] - [ -0.0004176900000000, -0.0017740000000000, 0.0008988100000000 ] - [ 0.0000000000000000, -0.0029033000000000, -0.0001142900000000 ] - [ -0.0000009400000000, -0.0029036600000000, -0.0001399600000000 ] - [ 0.0000009400000000, -0.0029036600000000, -0.0001399600000000 ] - [ -0.0001955200000000, 0.0020824900000000, -0.0012848900000000 ] - [ 0.0000000000000000, 0.0020601600000000, -0.0008950800000000 ] - [ 0.0001955200000000, 0.0020824900000000, -0.0012848900000000 ] - [ 0.0001961400000000, 0.0023708900000000, 0.0006784300000000 ] - [ 0.0000000000000000, 0.0023972700000000, 0.0010625500000000 ] - [ -0.0001961400000000, 0.0023708900000000, 0.0006784300000000 ] - [ -0.0000660600000000, 0.0029342600000000, -0.0001545200000000 ] - [ 0.0000000000000000, 0.0028973700000000, 0.0000578000000000 ] - [ 0.0000660600000000, 0.0029342600000000, -0.0001545200000000 ] - [ 0.0000000000000000, -0.0023525700000000, -0.0009012600000000 ] - [ -0.0004191000000000, -0.0026806300000000, -0.0010593200000000 ] - [ 0.0004191000000000, -0.0026806300000000, -0.0010593200000000 ] - [ -0.0001252000000000, -0.0029875000000000, 0.0005396000000000 ] - [ 0.0000000000000000, -0.0021835900000000, 0.0008887400000000 ] - [ 0.0001252000000000, -0.0029875000000000, 0.0005396000000000 ] - [ -0.0000000500000000, -0.0029055100000000, -0.0006193600000000 ] - [ 0.0000000000000000, -0.0029019700000000, -0.0001499900000000 ] - [ 0.0000000500000000, -0.0029055100000000, -0.0006193600000000 ] - [ 0.0000000000000000, 0.0022666000000000, -0.0009310000000000 ] - [ -0.0000005700000000, 0.0022576100000000, -0.0009229500000000 ] - [ 0.0000005700000000, 0.0022576100000000, -0.0009229500000000 ] - [ 0.0000000000000000, 0.0021920000000000, 0.0010286400000000 ] - [ 0.0000007400000000, 0.0021967000000000, 0.0010351200000000 ] - [ -0.0000007400000000, 0.0021967000000000, 0.0010351200000000 ] - [ 0.0000000000000000, 0.0028876900000000, 0.0002370000000000 ] - [ 0.0000000000000000, 0.0028991200000000, 0.0001947700000000 ] - [ 0.0000000000000000, 0.0028991200000000, 0.0001947700000000 ] - [ 0.0001248000000000, -0.0014654100000000, -0.0014132400000000 ] - [ 0.0000000000000000, -0.0022709100000000, -0.0010666400000000 ] - [ -0.0001248000000000, -0.0014654100000000, -0.0014132400000000 ] - [ 0.0021367100000000, -0.0019301600000000, 0.0033795700000000 ] - [ 0.0000000000000000, 0.0010428000000000, 0.0004272900000000 ] - [ -0.0021367100000000, -0.0019301600000000, 0.0033795700000000 ] - [ 0.0000000000000000, -0.0047113700000000, 0.0053388400000000 ] - [ -0.0002779800000000, -0.0042412800000000, -0.0011110700000000 ] - [ 0.0002779800000000, -0.0042412800000000, -0.0011110700000000 ] - [ 0.0000000000000000, -0.0008770900000000, -0.0003452800000000 ] - [ 0.0002721900000000, -0.0008826900000000, 0.0000271700000000 ] - [ -0.0002721900000000, -0.0008826900000000, 0.0000271700000000 ] - [ 0.0000000000000000, -0.0022810000000000, -0.0932901100000000 ] - [ -0.0000102000000000, -0.0027280000000000, -0.0015694000000000 ] - [ 0.0000102000000000, -0.0027280000000000, -0.0015694000000000 ] - [ 0.0027121000000000, 0.0058842100000000, 0.0008846700000000 ] - [ 0.0000000000000000, 0.0043571900000000, -0.0012752200000000 ] - [ -0.0027121000000000, 0.0058842100000000, 0.0008846700000000 ] - [ -0.0026906100000000, 0.0025223000000000, 0.0034794500000000 ] - [ 0.0000000000000000, 0.0040336700000000, 0.0013370800000000 ] - [ 0.0026906100000000, 0.0025223000000000, 0.0034794500000000 ] - [ 0.0000000000000000, -0.0012867200000000, 0.0011203600000000 ] - [ -0.0002708300000000, -0.0012814400000000, 0.0014902500000000 ] - [ 0.0002708300000000, -0.0012814400000000, 0.0014902500000000 ] - [ 0.0000016500000000, 0.0027376400000000, 0.0017532400000000 ] - [ 0.0000000000000000, 0.0027361400000000, 0.0007765700000000 ] - [ -0.0000016500000000, 0.0027376400000000, 0.0017532400000000 ] - [ 0.0000000000000000, -0.0036788700000000, 0.0080062500000000 ] - [ 0.0002811800000000, -0.0041517500000000, 0.0014946400000000 ] - [ -0.0002811800000000, -0.0041517500000000, 0.0014946400000000 ] - [ -0.0021241600000000, 0.0040893000000000, 0.0019387700000000 ] - [ 0.0000000000000000, 0.0011222200000000, -0.0010361500000000 ] - [ 0.0021241600000000, 0.0040893000000000, 0.0019387700000000 ] - [ 0.0000000000000000, 0.0012096700000000, 0.0005380500000000 ] - [ 0.0000265300000000, 0.0011731100000000, 0.0005458500000000 ] - [ -0.0000265300000000, 0.0011731100000000, 0.0005458500000000 ] - [ -0.0000417500000000, -0.0041101000000000, -0.0012551000000000 ] - [ 0.0000000000000000, -0.0041104900000000, -0.0012269800000000 ] - [ 0.0000417500000000, -0.0041101000000000, -0.0012551000000000 ] - [ 0.0000580600000000, -0.0016781100000000, 0.0000466800000000 ] - [ 0.0000000000000000, -0.0011689800000000, -0.0005467700000000 ] - [ -0.0000580600000000, -0.0016781100000000, 0.0000466800000000 ] - [ -0.0000011100000000, -0.0027356900000000, -0.0005507900000000 ] - [ 0.0000000000000000, -0.0027348900000000, -0.0005481700000000 ] - [ 0.0000011100000000, -0.0027356900000000, -0.0005507900000000 ] - [ 0.0000000000000000, 0.0039763000000000, -0.0011969400000000 ] - [ 0.0002049600000000, 0.0039092400000000, -0.0012250400000000 ] - [ -0.0002049600000000, 0.0039092400000000, -0.0012250400000000 ] - [ 0.0000000000000000, 0.0044170600000000, 0.0014141900000000 ] - [ -0.0002044500000000, 0.0044844400000000, 0.0013858000000000 ] - [ 0.0002044500000000, 0.0044844400000000, 0.0013858000000000 ] - [ -0.0000573600000000, -0.0004896800000000, 0.0015112600000000 ] - [ 0.0000000000000000, -0.0009950300000000, 0.0009176000000000 ] - [ 0.0000573600000000, -0.0004896800000000, 0.0015112600000000 ] - [ 0.0000000000000000, 0.0027392300000000, 0.0009885600000000 ] - [ -0.0000009400000000, 0.0027374600000000, 0.0007192300000000 ] - [ 0.0000009400000000, 0.0027374600000000, 0.0007192300000000 ] - [ 0.0000408900000000, -0.0042814400000000, 0.0013532000000000 ] - [ 0.0000000000000000, -0.0042804900000000, 0.0013814500000000 ] - [ -0.0000408900000000, -0.0042814400000000, 0.0013532000000000 ] - [ 0.0000000000000000, 0.0009562600000000, -0.0009227900000000 ] - [ -0.0000272700000000, 0.0009940400000000, -0.0009149600000000 ] - [ 0.0000272700000000, 0.0009940400000000, -0.0009149600000000 ]