# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/a5ddfa59-db07-49be-aaef-253b0a26f8c0/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 Ca2Sb2O7 / Imma (74) / materials id 16280](https://mdr.nims.go.jp/datasets/499ed22d-f2a6-443c-a116-764da457d43e) ## 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: "Imma" number: 74 Hall_symbol: "-I 2b 2"primitive_matrix:- [ -0.500000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, -0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, -0.500000000000000 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ -5.116803405000000, 3.664914920000000, 3.734678890000000 ] # a - [ 5.116803405000000, -3.664914920000000, 3.734678890000000 ] # b - [ 5.116803405000000, 3.664914920000000, -3.734678890000000 ] # c points: - symbol: O # 1 coordinates: [ 0.771759210000000, 0.678871250000000, 0.829065660000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.650194410000000, 0.321128750000000, 0.592887960000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.349805590000000, 0.942693550000000, 0.670934340000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.228240790000000, 0.057306450000000, 0.907112040000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.228240790000000, 0.321128750000000, 0.170934340000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.349805590000000, 0.678871250000000, 0.407112040000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.650194410000000, 0.057306450000000, 0.329065660000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.771759210000000, 0.942693550000000, 0.092887960000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.849918920000000, 0.099918920000000, 0.750000000000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.150081080000000, 0.900081080000000, 0.250000000000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.269698300000000, 0.364273970000000, 0.594575670000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.730301700000000, 0.635726030000000, 0.405424330000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.269698300000000, 0.675122630000000, 0.905424330000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.730301700000000, 0.324877370000000, 0.094575670000000 ] mass: 15.999400 - symbol: Ca # 15 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 40.078000 - symbol: Ca # 16 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 40.078000 - symbol: Ca # 17 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 40.078000 - symbol: Ca # 18 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 40.078000 - symbol: Sb # 19 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 121.760000 - symbol: Sb # 20 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 121.760000 - symbol: Sb # 21 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 121.760000 - symbol: Sb # 22 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 121.760000 reciprocal_lattice: # without 2pi - [ -0.000000000000000, 0.136428815106027, 0.133880318690531 ] # a* - [ 0.097717258300644, 0.000000000000000, 0.133880318690531 ] # b* - [ 0.097717258300644, 0.136428815106027, 0.000000000000000 ] # c*unit_cell: lattice: - [ 10.233606809999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 7.329829840000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 7.469357780000000 ] # c points: - symbol: O # 1 coordinates: [ 0.368088850000000, 0.460976810000000, 0.310782400000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.131911150000000, 0.460976810000000, 0.189217600000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.631911150000000, 0.039023190000000, 0.310782400000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.368088850000000, 0.539023190000000, 0.689217600000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.631911150000000, 0.539023190000000, 0.689217600000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.868088850000000, 0.539023190000000, 0.810782400000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.368088850000000, 0.960976810000000, 0.689217600000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.631911150000000, 0.460976810000000, 0.310782400000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.000000000000000, 0.750000000000000, 0.099918920000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.000000000000000, 0.250000000000000, 0.900081080000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.344575670000000, 0.250000000000000, 0.019698300000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.655424330000000, 0.750000000000000, 0.980301700000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.655424330000000, 0.250000000000000, 0.019698300000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.344575670000000, 0.750000000000000, 0.980301700000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.868088850000000, 0.960976810000000, 0.810782400000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 16 coordinates: [ 0.631911150000000, 0.960976810000000, 0.689217600000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 17 coordinates: [ 0.131911150000000, 0.539023190000000, 0.810782400000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 18 coordinates: [ 0.868088850000000, 0.039023190000000, 0.189217600000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 19 coordinates: [ 0.131911150000000, 0.039023190000000, 0.189217600000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 20 coordinates: [ 0.368088850000000, 0.039023190000000, 0.310782400000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 21 coordinates: [ 0.868088850000000, 0.460976810000000, 0.189217600000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 22 coordinates: [ 0.131911150000000, 0.960976810000000, 0.810782400000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 23 coordinates: [ 0.500000000000000, 0.250000000000000, 0.599918920000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 24 coordinates: [ 0.500000000000000, 0.750000000000000, 0.400081080000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 25 coordinates: [ 0.844575670000000, 0.750000000000000, 0.519698300000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 26 coordinates: [ 0.155424330000000, 0.250000000000000, 0.480301700000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 27 coordinates: [ 0.155424330000000, 0.750000000000000, 0.519698300000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 28 coordinates: [ 0.844575670000000, 0.250000000000000, 0.480301700000000 ] mass: 15.999400 reduced_to: 14 - symbol: Ca # 29 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 40.078000 reduced_to: 29 - symbol: Ca # 30 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 40.078000 reduced_to: 30 - symbol: Ca # 31 coordinates: [ 0.250000000000000, 0.250000000000000, 0.750000000000000 ] mass: 40.078000 reduced_to: 31 - symbol: Ca # 32 coordinates: [ 0.750000000000000, 0.250000000000000, 0.750000000000000 ] mass: 40.078000 reduced_to: 32 - symbol: Ca # 33 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 40.078000 reduced_to: 29 - symbol: Ca # 34 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 40.078000 reduced_to: 30 - symbol: Ca # 35 coordinates: [ 0.750000000000000, 0.750000000000000, 0.250000000000000 ] mass: 40.078000 reduced_to: 31 - symbol: Ca # 36 coordinates: [ 0.250000000000000, 0.750000000000000, 0.250000000000000 ] mass: 40.078000 reduced_to: 32 - symbol: Sb # 37 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 121.760000 reduced_to: 37 - symbol: Sb # 38 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 121.760000 reduced_to: 38 - symbol: Sb # 39 coordinates: [ 0.250000000000000, 0.250000000000000, 0.250000000000000 ] mass: 121.760000 reduced_to: 39 - symbol: Sb # 40 coordinates: [ 0.250000000000000, 0.750000000000000, 0.750000000000000 ] mass: 121.760000 reduced_to: 40 - symbol: Sb # 41 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 121.760000 reduced_to: 37 - symbol: Sb # 42 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 121.760000 reduced_to: 38 - symbol: Sb # 43 coordinates: [ 0.750000000000000, 0.750000000000000, 0.750000000000000 ] mass: 121.760000 reduced_to: 39 - symbol: Sb # 44 coordinates: [ 0.750000000000000, 0.250000000000000, 0.250000000000000 ] mass: 121.760000 reduced_to: 40supercell: lattice: - [ 20.467213619999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 7.329829840000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 7.469357780000000 ] # c points: - symbol: O # 1 coordinates: [ 0.184044425000000, 0.460976810000000, 0.310782400000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.684044425000000, 0.460976810000000, 0.310782400000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.065955575000000, 0.460976810000000, 0.189217600000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.565955575000000, 0.460976810000000, 0.189217600000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 5 coordinates: [ 0.315955575000000, 0.039023190000000, 0.310782400000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.815955575000000, 0.039023190000000, 0.310782400000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 7 coordinates: [ 0.184044425000000, 0.539023190000000, 0.689217600000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.684044425000000, 0.539023190000000, 0.689217600000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 9 coordinates: [ 0.315955575000000, 0.539023190000000, 0.689217600000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.815955575000000, 0.539023190000000, 0.689217600000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 11 coordinates: [ 0.434044425000000, 0.539023190000000, 0.810782400000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.934044425000000, 0.539023190000000, 0.810782400000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 13 coordinates: [ 0.184044425000000, 0.960976810000000, 0.689217600000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.684044425000000, 0.960976810000000, 0.689217600000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.315955575000000, 0.460976810000000, 0.310782400000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.815955575000000, 0.460976810000000, 0.310782400000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 17 coordinates: [ 0.000000000000000, 0.750000000000000, 0.099918920000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.500000000000000, 0.750000000000000, 0.099918920000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 19 coordinates: [ 0.000000000000000, 0.250000000000000, 0.900081080000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.500000000000000, 0.250000000000000, 0.900081080000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 21 coordinates: [ 0.172287835000000, 0.250000000000000, 0.019698300000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.672287835000000, 0.250000000000000, 0.019698300000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 23 coordinates: [ 0.327712165000000, 0.750000000000000, 0.980301700000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.827712165000000, 0.750000000000000, 0.980301700000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 25 coordinates: [ 0.327712165000000, 0.250000000000000, 0.019698300000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.827712165000000, 0.250000000000000, 0.019698300000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.172287835000000, 0.750000000000000, 0.980301700000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.672287835000000, 0.750000000000000, 0.980301700000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 29 coordinates: [ 0.434044425000000, 0.960976810000000, 0.810782400000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 30 coordinates: [ 0.934044425000000, 0.960976810000000, 0.810782400000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 31 coordinates: [ 0.315955575000000, 0.960976810000000, 0.689217600000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 32 coordinates: [ 0.815955575000000, 0.960976810000000, 0.689217600000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 33 coordinates: [ 0.065955575000000, 0.539023190000000, 0.810782400000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 34 coordinates: [ 0.565955575000000, 0.539023190000000, 0.810782400000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 35 coordinates: [ 0.434044425000000, 0.039023190000000, 0.189217600000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 36 coordinates: [ 0.934044425000000, 0.039023190000000, 0.189217600000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 37 coordinates: [ 0.065955575000000, 0.039023190000000, 0.189217600000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 38 coordinates: [ 0.565955575000000, 0.039023190000000, 0.189217600000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 39 coordinates: [ 0.184044425000000, 0.039023190000000, 0.310782400000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 40 coordinates: [ 0.684044425000000, 0.039023190000000, 0.310782400000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 41 coordinates: [ 0.434044425000000, 0.460976810000000, 0.189217600000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 42 coordinates: [ 0.934044425000000, 0.460976810000000, 0.189217600000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 43 coordinates: [ 0.065955575000000, 0.960976810000000, 0.810782400000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 44 coordinates: [ 0.565955575000000, 0.960976810000000, 0.810782400000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 45 coordinates: [ 0.250000000000000, 0.250000000000000, 0.599918920000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 46 coordinates: [ 0.750000000000000, 0.250000000000000, 0.599918920000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 47 coordinates: [ 0.250000000000000, 0.750000000000000, 0.400081080000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 48 coordinates: [ 0.750000000000000, 0.750000000000000, 0.400081080000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 49 coordinates: [ 0.422287835000000, 0.750000000000000, 0.519698300000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 50 coordinates: [ 0.922287835000000, 0.750000000000000, 0.519698300000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 51 coordinates: [ 0.077712165000000, 0.250000000000000, 0.480301700000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 52 coordinates: [ 0.577712165000000, 0.250000000000000, 0.480301700000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 53 coordinates: [ 0.077712165000000, 0.750000000000000, 0.519698300000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 54 coordinates: [ 0.577712165000000, 0.750000000000000, 0.519698300000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 55 coordinates: [ 0.422287835000000, 0.250000000000000, 0.480301700000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 56 coordinates: [ 0.922287835000000, 0.250000000000000, 0.480301700000000 ] mass: 15.999400 reduced_to: 27 - symbol: Ca # 57 coordinates: [ 0.250000000000000, 0.500000000000000, 0.000000000000000 ] mass: 40.078000 reduced_to: 57 - symbol: Ca # 58 coordinates: [ 0.750000000000000, 0.500000000000000, 0.000000000000000 ] mass: 40.078000 reduced_to: 57 - symbol: Ca # 59 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 40.078000 reduced_to: 59 - symbol: Ca # 60 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 40.078000 reduced_to: 59 - symbol: Ca # 61 coordinates: [ 0.125000000000000, 0.250000000000000, 0.750000000000000 ] mass: 40.078000 reduced_to: 61 - symbol: Ca # 62 coordinates: [ 0.625000000000000, 0.250000000000000, 0.750000000000000 ] mass: 40.078000 reduced_to: 61 - symbol: Ca # 63 coordinates: [ 0.375000000000000, 0.250000000000000, 0.750000000000000 ] mass: 40.078000 reduced_to: 63 - symbol: Ca # 64 coordinates: [ 0.875000000000000, 0.250000000000000, 0.750000000000000 ] mass: 40.078000 reduced_to: 63 - symbol: Ca # 65 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 40.078000 reduced_to: 57 - symbol: Ca # 66 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 40.078000 reduced_to: 57 - symbol: Ca # 67 coordinates: [ 0.250000000000000, 0.000000000000000, 0.000000000000000 ] mass: 40.078000 reduced_to: 59 - symbol: Ca # 68 coordinates: [ 0.750000000000000, 0.000000000000000, 0.000000000000000 ] mass: 40.078000 reduced_to: 59 - symbol: Ca # 69 coordinates: [ 0.375000000000000, 0.750000000000000, 0.250000000000000 ] mass: 40.078000 reduced_to: 61 - symbol: Ca # 70 coordinates: [ 0.875000000000000, 0.750000000000000, 0.250000000000000 ] mass: 40.078000 reduced_to: 61 - symbol: Ca # 71 coordinates: [ 0.125000000000000, 0.750000000000000, 0.250000000000000 ] mass: 40.078000 reduced_to: 63 - symbol: Ca # 72 coordinates: [ 0.625000000000000, 0.750000000000000, 0.250000000000000 ] mass: 40.078000 reduced_to: 63 - symbol: Sb # 73 coordinates: [ 0.250000000000000, 0.500000000000000, 0.500000000000000 ] mass: 121.760000 reduced_to: 73 - symbol: Sb # 74 coordinates: [ 0.750000000000000, 0.500000000000000, 0.500000000000000 ] mass: 121.760000 reduced_to: 73 - symbol: Sb # 75 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 121.760000 reduced_to: 75 - symbol: Sb # 76 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 121.760000 reduced_to: 75 - symbol: Sb # 77 coordinates: [ 0.125000000000000, 0.250000000000000, 0.250000000000000 ] mass: 121.760000 reduced_to: 77 - symbol: Sb # 78 coordinates: [ 0.625000000000000, 0.250000000000000, 0.250000000000000 ] mass: 121.760000 reduced_to: 77 - symbol: Sb # 79 coordinates: [ 0.125000000000000, 0.750000000000000, 0.750000000000000 ] mass: 121.760000 reduced_to: 79 - symbol: Sb # 80 coordinates: [ 0.625000000000000, 0.750000000000000, 0.750000000000000 ] mass: 121.760000 reduced_to: 79 - symbol: Sb # 81 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 121.760000 reduced_to: 73 - symbol: Sb # 82 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 121.760000 reduced_to: 73 - symbol: Sb # 83 coordinates: [ 0.250000000000000, 0.000000000000000, 0.500000000000000 ] mass: 121.760000 reduced_to: 75 - symbol: Sb # 84 coordinates: [ 0.750000000000000, 0.000000000000000, 0.500000000000000 ] mass: 121.760000 reduced_to: 75 - symbol: Sb # 85 coordinates: [ 0.375000000000000, 0.750000000000000, 0.750000000000000 ] mass: 121.760000 reduced_to: 77 - symbol: Sb # 86 coordinates: [ 0.875000000000000, 0.750000000000000, 0.750000000000000 ] mass: 121.760000 reduced_to: 77 - symbol: Sb # 87 coordinates: [ 0.375000000000000, 0.250000000000000, 0.250000000000000 ] mass: 121.760000 reduced_to: 79 - symbol: Sb # 88 coordinates: [ 0.875000000000000, 0.250000000000000, 0.250000000000000 ] mass: 121.760000 reduced_to: 79displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1781692300000000, -0.0717224900000000, -0.0992128100000000 ] - [ 0.0022441900000000, 0.0005138300000000, 0.0005700200000000 ] - [ 0.0232009800000000, -0.0005883200000000, 0.0154149900000000 ] - [ 0.0025522200000000, -0.0005462400000000, 0.0005971500000000 ] - [ -0.0007168200000000, -0.0001828300000000, -0.0006135100000000 ] - [ 0.0020840600000000, 0.0005547700000000, -0.0005009300000000 ] - [ -0.0089877500000000, 0.0014284700000000, 0.0022607500000000 ] - [ 0.0020108400000000, -0.0004591300000000, -0.0004789300000000 ] - [ 0.0011184200000000, 0.0005485500000000, 0.0031232200000000 ] - [ 0.0018767300000000, 0.0003828500000000, 0.0003672400000000 ] - [ 0.0011481600000000, -0.0000147700000000, 0.0001153200000000 ] - [ 0.0011558500000000, -0.0003863600000000, 0.0004446300000000 ] - [ -0.0057559700000000, -0.0008290600000000, 0.0021687600000000 ] - [ 0.0020120400000000, 0.0004648300000000, -0.0004863900000000 ] - [ 0.0268344000000000, -0.0033884800000000, 0.0000333200000000 ] - [ 0.0025034000000000, -0.0005820600000000, -0.0007639000000000 ] - [ 0.0011630500000000, -0.0024163500000000, 0.0010530900000000 ] - [ 0.0014397400000000, 0.0004841600000000, -0.0002033100000000 ] - [ 0.0009631600000000, 0.0015693000000000, 0.0013326000000000 ] - [ 0.0014039100000000, -0.0003366100000000, -0.0002624600000000 ] - [ -0.0088943400000000, 0.0043630900000000, 0.0066898100000000 ] - [ 0.0018409700000000, -0.0000258500000000, -0.0001796400000000 ] - [ -0.0007987700000000, 0.0008941100000000, -0.0004840400000000 ] - [ 0.0016855600000000, -0.0000437500000000, -0.0000263400000000 ] - [ -0.0009966400000000, -0.0016274200000000, -0.0023873200000000 ] - [ 0.0019474300000000, 0.0001482100000000, 0.0003412900000000 ] - [ -0.0047355300000000, 0.0001311100000000, 0.0019680100000000 ] - [ 0.0017760500000000, 0.0000086700000000, 0.0001331800000000 ] - [ 0.0012316700000000, 0.0001427700000000, 0.0003844700000000 ] - [ 0.0012363300000000, 0.0004402000000000, 0.0003976500000000 ] - [ -0.0001484500000000, -0.0002963200000000, 0.0012983900000000 ] - [ 0.0018925600000000, -0.0004014400000000, 0.0004146800000000 ] - [ -0.0027881300000000, -0.0015546600000000, 0.0020962800000000 ] - [ 0.0018856300000000, 0.0004430800000000, -0.0004985900000000 ] - [ 0.0016306100000000, -0.0005182800000000, -0.0006673400000000 ] - [ 0.0016344300000000, -0.0002486900000000, -0.0002599700000000 ] - [ 0.0010504300000000, 0.0023312000000000, 0.0013150500000000 ] - [ 0.0019727800000000, 0.0004267300000000, 0.0004726800000000 ] - [ -0.0091289600000000, 0.0024364900000000, -0.0032638900000000 ] - [ 0.0020828100000000, -0.0004901800000000, 0.0005030700000000 ] - [ 0.0045018900000000, 0.0005616100000000, -0.0026510900000000 ] - [ 0.0044756900000000, 0.0008197700000000, -0.0008125200000000 ] - [ -0.0020640800000000, 0.0010324700000000, 0.0003259900000000 ] - [ 0.0018816500000000, -0.0004510700000000, -0.0004901800000000 ] - [ -0.0020345100000000, -0.0063006800000000, 0.0049669300000000 ] - [ 0.0015088300000000, 0.0000323300000000, -0.0000361200000000 ] - [ 0.0016582600000000, 0.0190869300000000, 0.0064936700000000 ] - [ 0.0015000900000000, -0.0000522700000000, -0.0000434900000000 ] - [ 0.0013337000000000, 0.0004371300000000, 0.0005531000000000 ] - [ 0.0017025400000000, -0.0000028400000000, -0.0004181900000000 ] - [ 0.0065300000000000, 0.0080633800000000, -0.0063943400000000 ] - [ 0.0019080000000000, -0.0000319400000000, -0.0001604400000000 ] - [ -0.0016970400000000, -0.0019881000000000, -0.0029487700000000 ] - [ 0.0018302400000000, 0.0000112900000000, 0.0002308900000000 ] - [ 0.0027632700000000, -0.0012672500000000, 0.0013400800000000 ] - [ 0.0021771500000000, 0.0001410800000000, 0.0000343900000000 ] - [ 0.0076511200000000, -0.0001164600000000, 0.0046404000000000 ] - [ -0.0024253700000000, 0.0000547600000000, -0.0000550100000000 ] - [ -0.0033462400000000, 0.0022907800000000, 0.0018994800000000 ] - [ -0.0026716700000000, -0.0003506700000000, -0.0003694200000000 ] - [ 0.0056146700000000, 0.0000082700000000, 0.0012620200000000 ] - [ -0.0019887600000000, 0.0000058600000000, 0.0000464500000000 ] - [ -0.0010420800000000, 0.0002537700000000, -0.0006879000000000 ] - [ -0.0019415100000000, -0.0000114600000000, 0.0000727800000000 ] - [ -0.0020706700000000, -0.0022669400000000, 0.0003812700000000 ] - [ -0.0023330400000000, 0.0003285700000000, -0.0000798100000000 ] - [ 0.0059488200000000, -0.0007421500000000, 0.0000714800000000 ] - [ -0.0023781600000000, -0.0000523700000000, -0.0000231000000000 ] - [ -0.0021205500000000, -0.0028140900000000, 0.0010397200000000 ] - [ -0.0019995800000000, 0.0003185200000000, 0.0000824500000000 ] - [ 0.0094796100000000, 0.0011927100000000, 0.0004339500000000 ] - [ -0.0020074700000000, -0.0000559500000000, -0.0000766900000000 ] - [ 0.0758434200000000, 0.0115592300000000, 0.0537296300000000 ] - [ -0.0045706600000000, 0.0000704700000000, 0.0002243400000000 ] - [ -0.0061750200000000, 0.0022943700000000, -0.0084685300000000 ] - [ -0.0047147100000000, -0.0004255200000000, 0.0014916400000000 ] - [ 0.0493489300000000, 0.0311401800000000, 0.0093563300000000 ] - [ -0.0047151100000000, 0.0002074800000000, -0.0000608300000000 ] - [ 0.0115078600000000, -0.0006897200000000, 0.0004338100000000 ] - [ -0.0044281700000000, -0.0000161000000000, 0.0000083500000000 ] - [ -0.0011991600000000, -0.0005432100000000, -0.0016763500000000 ] - [ -0.0037962900000000, 0.0001156200000000, 0.0003381700000000 ] - [ 0.0111959800000000, -0.0013117100000000, -0.0001678000000000 ] - [ -0.0044229300000000, -0.0000385700000000, 0.0000907400000000 ] - [ -0.0017356000000000, -0.0004627700000000, -0.0011618000000000 ] - [ -0.0039248700000000, 0.0000330600000000, 0.0001400300000000 ] - [ -0.0078196400000000, 0.0100648300000000, 0.0038829900000000 ] - [ -0.0051966700000000, -0.0011857900000000, 0.0000050300000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.1768871100000000, 0.0727909900000000, 0.0967474900000000 ] - [ -0.0022299000000000, -0.0005065600000000, -0.0005806500000000 ] - [ -0.0237199600000000, 0.0006409200000000, -0.0156773000000000 ] - [ -0.0025556100000000, 0.0005513400000000, -0.0005840700000000 ] - [ 0.0006917800000000, 0.0001717000000000, 0.0006015100000000 ] - [ -0.0020916700000000, -0.0005601400000000, 0.0004902300000000 ] - [ 0.0089510500000000, -0.0014527700000000, -0.0023057100000000 ] - [ -0.0019963400000000, 0.0004521100000000, 0.0004893000000000 ] - [ -0.0011681600000000, -0.0005645600000000, -0.0031229700000000 ] - [ -0.0018841600000000, -0.0003887100000000, -0.0003537000000000 ] - [ -0.0011436100000000, 0.0000118400000000, -0.0001292300000000 ] - [ -0.0011353100000000, 0.0003776200000000, -0.0004523000000000 ] - [ 0.0057495500000000, 0.0008288400000000, -0.0021462700000000 ] - [ -0.0019977200000000, -0.0004573500000000, 0.0004951600000000 ] - [ -0.0262074300000000, 0.0033628100000000, -0.0001009100000000 ] - [ -0.0025140200000000, 0.0005879700000000, 0.0007539300000000 ] - [ -0.0011599100000000, 0.0024478500000000, -0.0010480200000000 ] - [ -0.0014381700000000, -0.0004783000000000, 0.0002112700000000 ] - [ -0.0009602500000000, -0.0015915600000000, -0.0013559000000000 ] - [ -0.0014031100000000, 0.0003328300000000, 0.0002509700000000 ] - [ 0.0089591900000000, -0.0043008900000000, -0.0065989200000000 ] - [ -0.0018655900000000, 0.0000254300000000, 0.0002081200000000 ] - [ 0.0008086300000000, -0.0008928300000000, 0.0004517000000000 ] - [ -0.0016555000000000, 0.0000439900000000, -0.0000032200000000 ] - [ 0.0009999900000000, 0.0016182100000000, 0.0023901400000000 ] - [ -0.0019187800000000, -0.0001493700000000, -0.0003148100000000 ] - [ 0.0047195300000000, -0.0001560900000000, -0.0019772100000000 ] - [ -0.0018009900000000, -0.0000082500000000, -0.0001611300000000 ] - [ -0.0012247200000000, -0.0001382400000000, -0.0003956700000000 ] - [ -0.0012196300000000, -0.0004333000000000, -0.0004088700000000 ] - [ 0.0001287500000000, 0.0003093000000000, -0.0012810600000000 ] - [ -0.0019011100000000, 0.0004075700000000, -0.0004037000000000 ] - [ 0.0028063900000000, 0.0015588600000000, -0.0021277700000000 ] - [ -0.0018955000000000, -0.0004487900000000, 0.0004886200000000 ] - [ -0.0016210400000000, 0.0005117400000000, 0.0006764900000000 ] - [ -0.0016173200000000, 0.0002415100000000, 0.0002705900000000 ] - [ -0.0010287400000000, -0.0023168300000000, -0.0012946000000000 ] - [ -0.0019820800000000, -0.0004327700000000, -0.0004602000000000 ] - [ 0.0091281000000000, -0.0023960700000000, 0.0032397200000000 ] - [ -0.0020685000000000, 0.0004832800000000, -0.0005125700000000 ] - [ -0.0044622200000000, -0.0005493200000000, 0.0026407100000000 ] - [ -0.0044883500000000, -0.0008182800000000, 0.0008338200000000 ] - [ 0.0020699400000000, -0.0010301800000000, -0.0003372600000000 ] - [ -0.0018912500000000, 0.0004571100000000, 0.0004785300000000 ] - [ 0.0019939700000000, 0.0062283600000000, -0.0049099100000000 ] - [ -0.0015061700000000, -0.0000328700000000, 0.0000459700000000 ] - [ -0.0016831000000000, -0.0188334400000000, -0.0064654000000000 ] - [ -0.0014979600000000, 0.0000535100000000, 0.0000349500000000 ] - [ -0.0013647200000000, -0.0004337400000000, -0.0005181600000000 ] - [ -0.0017253000000000, 0.0000028000000000, 0.0004481600000000 ] - [ -0.0065783100000000, -0.0081576100000000, 0.0064747000000000 ] - [ -0.0018780100000000, 0.0000318000000000, 0.0001315900000000 ] - [ 0.0017410200000000, 0.0019985600000000, 0.0029769500000000 ] - [ -0.0018009500000000, -0.0000111100000000, -0.0002024200000000 ] - [ -0.0027762800000000, 0.0012542700000000, -0.0013514800000000 ] - [ -0.0021993300000000, -0.0001425600000000, -0.0000601100000000 ] - [ -0.0075227100000000, 0.0001324700000000, -0.0047195000000000 ] - [ 0.0024213300000000, -0.0000552300000000, 0.0000552100000000 ] - [ 0.0033435800000000, -0.0022977400000000, -0.0019081400000000 ] - [ 0.0026658500000000, 0.0003465900000000, 0.0003660000000000 ] - [ -0.0056433600000000, -0.0000191300000000, -0.0012807300000000 ] - [ 0.0019853400000000, -0.0000057100000000, -0.0000465200000000 ] - [ 0.0010532000000000, -0.0002517100000000, 0.0006850100000000 ] - [ 0.0019380400000000, 0.0000113900000000, -0.0000723900000000 ] - [ 0.0020595700000000, 0.0022722000000000, -0.0003799400000000 ] - [ 0.0023303400000000, -0.0003252500000000, 0.0000788100000000 ] - [ -0.0059062700000000, 0.0007405600000000, -0.0000765200000000 ] - [ 0.0023739600000000, 0.0000530000000000, 0.0000234900000000 ] - [ 0.0021212900000000, 0.0027915800000000, -0.0010336900000000 ] - [ 0.0019958300000000, -0.0003200000000000, -0.0000834700000000 ] - [ -0.0095777000000000, -0.0010260600000000, -0.0004791300000000 ] - [ 0.0020038700000000, 0.0000557700000000, 0.0000763300000000 ] - [ -0.0733382800000000, -0.0108234700000000, -0.0503306000000000 ] - [ 0.0045633700000000, -0.0000707000000000, -0.0002260300000000 ] - [ 0.0061590900000000, -0.0023009100000000, 0.0084930700000000 ] - [ 0.0047073700000000, 0.0004231400000000, -0.0014815600000000 ] - [ -0.0505895900000000, -0.0333790000000000, -0.0100530300000000 ] - [ 0.0047067000000000, -0.0002053700000000, 0.0000606900000000 ] - [ -0.0115716700000000, 0.0007251600000000, -0.0004365800000000 ] - [ 0.0044214300000000, 0.0000158900000000, -0.0000084400000000 ] - [ 0.0011668200000000, 0.0005451500000000, 0.0016727000000000 ] - [ 0.0037952200000000, -0.0001145800000000, -0.0003352400000000 ] - [ -0.0111146300000000, 0.0013028100000000, 0.0001876600000000 ] - [ 0.0044151900000000, 0.0000386100000000, -0.0000910400000000 ] - [ 0.0017550600000000, 0.0004612900000000, 0.0011558400000000 ] - [ 0.0039149500000000, -0.0000325700000000, -0.0001392600000000 ] - [ 0.0077967500000000, -0.0099825000000000, -0.0038548600000000 ] - [ 0.0051918500000000, 0.0011936500000000, -0.0000072300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0705300100000000, -0.1253138600000000, -0.0378150700000000 ] - [ 0.0005094900000000, 0.0001182100000000, 0.0001201200000000 ] - [ 0.0006093700000000, -0.0036456700000000, 0.0011513000000000 ] - [ 0.0005374800000000, -0.0001345200000000, 0.0001324800000000 ] - [ -0.0001587200000000, 0.0030056100000000, -0.0007724600000000 ] - [ 0.0005483900000000, 0.0001976800000000, -0.0001089200000000 ] - [ -0.0014165600000000, -0.0024216800000000, 0.0065222700000000 ] - [ 0.0004559000000000, -0.0001092700000000, -0.0001064500000000 ] - [ 0.0005408100000000, -0.0008889400000000, 0.0006965400000000 ] - [ 0.0003775500000000, 0.0000547900000000, 0.0000434200000000 ] - [ 0.0003845400000000, -0.0001461100000000, 0.0001156300000000 ] - [ 0.0000157500000000, -0.0001449800000000, -0.0000209900000000 ] - [ -0.0008181600000000, 0.0033740800000000, -0.0000409600000000 ] - [ 0.0004612300000000, 0.0001111800000000, -0.0001106300000000 ] - [ 0.0032632900000000, -0.0070275900000000, -0.0012405500000000 ] - [ 0.0005757000000000, -0.0002051000000000, -0.0001283500000000 ] - [ -0.0004061100000000, -0.0001883300000000, 0.0000686200000000 ] - [ 0.0003559400000000, 0.0001011600000000, -0.0000284300000000 ] - [ 0.0003181200000000, -0.0001498200000000, -0.0001667500000000 ] - [ 0.0002507300000000, -0.0000621000000000, -0.0000324000000000 ] - [ 0.0019323800000000, 0.0053903000000000, 0.0135237700000000 ] - [ 0.0003961500000000, -0.0000062000000000, -0.0000222200000000 ] - [ 0.0001685400000000, 0.0003908900000000, -0.0004429800000000 ] - [ 0.0003279700000000, 0.0000061800000000, -0.0000065700000000 ] - [ -0.0011751200000000, -0.0004452900000000, -0.0009138400000000 ] - [ 0.0004444500000000, 0.0000044900000000, 0.0000799900000000 ] - [ -0.0013374800000000, 0.0026485600000000, -0.0043389500000000 ] - [ 0.0003876500000000, 0.0000017700000000, 0.0000226700000000 ] - [ 0.0004402700000000, 0.0001543500000000, 0.0001514500000000 ] - [ 0.0001418000000000, 0.0001535700000000, -0.0000220200000000 ] - [ 0.0003069500000000, 0.0020970000000000, 0.0016603900000000 ] - [ 0.0003953200000000, -0.0000540600000000, 0.0000606500000000 ] - [ -0.0015518800000000, -0.0016743700000000, 0.0008227200000000 ] - [ 0.0004373300000000, 0.0000887100000000, -0.0001155600000000 ] - [ 0.0002489400000000, -0.0000148100000000, -0.0001398500000000 ] - [ 0.0005135800000000, -0.0000146900000000, 0.0000485400000000 ] - [ 0.0023175000000000, 0.0068458100000000, 0.0011437000000000 ] - [ 0.0004219100000000, 0.0001046800000000, 0.0001070800000000 ] - [ -0.0023853400000000, 0.0134513500000000, -0.0016570000000000 ] - [ 0.0004864500000000, -0.0001133300000000, 0.0001093800000000 ] - [ 0.0008059500000000, 0.0000520300000000, -0.0005469900000000 ] - [ 0.0005537900000000, 0.0000510700000000, 0.0000808400000000 ] - [ -0.0010327100000000, 0.0018801900000000, 0.0005111300000000 ] - [ 0.0004457300000000, -0.0000918400000000, -0.0001151000000000 ] - [ -0.0053718600000000, 0.0007884600000000, -0.0055428000000000 ] - [ 0.0003545300000000, -0.0000021400000000, -0.0000170300000000 ] - [ 0.0127058600000000, 0.0275369300000000, 0.0096372300000000 ] - [ 0.0003364900000000, 0.0000005400000000, -0.0000241400000000 ] - [ 0.0004762400000000, 0.0000568100000000, 0.0002170600000000 ] - [ 0.0003634800000000, 0.0000705500000000, -0.0001622600000000 ] - [ 0.0072448300000000, 0.0026491500000000, -0.0031071600000000 ] - [ 0.0004416800000000, -0.0000057100000000, -0.0000584000000000 ] - [ -0.0032249100000000, 0.0019298700000000, 0.0025929300000000 ] - [ 0.0004392200000000, 0.0000006000000000, 0.0000596200000000 ] - [ 0.0005742800000000, -0.0002749700000000, 0.0005264300000000 ] - [ 0.0010550100000000, -0.0000254500000000, 0.0001897000000000 ] - [ 0.0000671900000000, 0.0062577600000000, 0.0019743700000000 ] - [ -0.0005322200000000, 0.0000313700000000, -0.0000240800000000 ] - [ -0.0004143700000000, 0.0029087600000000, 0.0003352800000000 ] - [ -0.0005825100000000, -0.0000217200000000, -0.0000329500000000 ] - [ 0.0004407900000000, 0.0010541900000000, 0.0006241800000000 ] - [ -0.0004440900000000, 0.0000006200000000, 0.0000079300000000 ] - [ 0.0008381400000000, 0.0000504100000000, 0.0000453700000000 ] - [ -0.0005054300000000, 0.0000218400000000, 0.0001547500000000 ] - [ -0.0009711700000000, -0.0029245200000000, 0.0002710100000000 ] - [ -0.0005428600000000, 0.0000167900000000, 0.0000196300000000 ] - [ 0.0028254200000000, -0.0039074400000000, -0.0007566800000000 ] - [ -0.0005306700000000, -0.0000313800000000, -0.0000207600000000 ] - [ -0.0016868200000000, -0.0002444200000000, 0.0007022700000000 ] - [ -0.0003253600000000, 0.0000068400000000, -0.0000570800000000 ] - [ 0.0005932300000000, 0.0015794300000000, 0.0002660600000000 ] - [ -0.0004556500000000, -0.0000123400000000, -0.0000175300000000 ] - [ 0.0089046500000000, 0.0223790200000000, 0.0056972000000000 ] - [ -0.0010446300000000, 0.0000423000000000, 0.0000937000000000 ] - [ -0.0006510600000000, 0.0009972200000000, -0.0019979100000000 ] - [ -0.0009987600000000, 0.0000410800000000, 0.0002076700000000 ] - [ 0.0358199800000000, 0.0605961100000000, 0.0105284200000000 ] - [ -0.0010491400000000, 0.0000489300000000, -0.0000091100000000 ] - [ 0.0045385200000000, -0.0032365800000000, -0.0013084700000000 ] - [ -0.0010113600000000, -0.0000015200000000, 0.0000018300000000 ] - [ -0.0002921400000000, -0.0009018500000000, -0.0008103100000000 ] - [ -0.0008392000000000, -0.0000979200000000, -0.0000360400000000 ] - [ 0.0083149200000000, -0.0163501600000000, 0.0013649300000000 ] - [ -0.0010361300000000, -0.0000410300000000, 0.0000803700000000 ] - [ -0.0011796300000000, 0.0000365900000000, -0.0005939300000000 ] - [ -0.0006870300000000, -0.0000700100000000, 0.0001525200000000 ] - [ -0.0002615800000000, 0.0016667900000000, 0.0009198500000000 ] - [ -0.0012607400000000, -0.0000509300000000, -0.0003733600000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0739888400000000, 0.1275989000000000, 0.0393200200000000 ] - [ -0.0005090900000000, -0.0001147100000000, -0.0001356200000000 ] - [ -0.0006212200000000, 0.0037020000000000, -0.0011408600000000 ] - [ -0.0005620900000000, 0.0001431000000000, -0.0001244400000000 ] - [ 0.0001943800000000, -0.0029766600000000, 0.0007474000000000 ] - [ -0.0005684900000000, -0.0002058300000000, 0.0001013700000000 ] - [ 0.0014667100000000, 0.0023410700000000, -0.0065857200000000 ] - [ -0.0004537300000000, 0.0001057700000000, 0.0001203800000000 ] - [ -0.0005745000000000, 0.0008714900000000, -0.0007086700000000 ] - [ -0.0003958500000000, -0.0000626600000000, -0.0000322900000000 ] - [ -0.0003781800000000, 0.0001378600000000, -0.0001257900000000 ] - [ -0.0000084500000000, 0.0001382700000000, 0.0000080600000000 ] - [ 0.0008416500000000, -0.0033632500000000, 0.0000679700000000 ] - [ -0.0004593400000000, -0.0001079700000000, 0.0001230300000000 ] - [ -0.0034887200000000, 0.0070489800000000, 0.0012421100000000 ] - [ -0.0005959400000000, 0.0002131800000000, 0.0001195900000000 ] - [ 0.0003950900000000, 0.0001884400000000, -0.0000680400000000 ] - [ -0.0003615100000000, -0.0001070800000000, 0.0000381800000000 ] - [ -0.0003217800000000, 0.0001547300000000, 0.0001549100000000 ] - [ -0.0002568100000000, 0.0000662300000000, 0.0000260300000000 ] - [ -0.0019245500000000, -0.0054170300000000, -0.0137341100000000 ] - [ -0.0004330200000000, 0.0000060800000000, 0.0000525100000000 ] - [ -0.0001352200000000, -0.0004034200000000, 0.0004146300000000 ] - [ -0.0003070900000000, -0.0000065500000000, -0.0000235600000000 ] - [ 0.0012090100000000, 0.0004657500000000, 0.0009502800000000 ] - [ -0.0004240300000000, -0.0000048300000000, -0.0000526200000000 ] - [ 0.0013285900000000, -0.0026746900000000, 0.0042499800000000 ] - [ -0.0004242600000000, -0.0000017600000000, -0.0000513700000000 ] - [ -0.0004315200000000, -0.0001489500000000, -0.0001644000000000 ] - [ -0.0001370900000000, -0.0001492300000000, 0.0000075600000000 ] - [ -0.0003008400000000, -0.0020759300000000, -0.0016278500000000 ] - [ -0.0004149100000000, 0.0000615600000000, -0.0000515700000000 ] - [ 0.0015594000000000, 0.0016700200000000, -0.0008422900000000 ] - [ -0.0004563300000000, -0.0000961500000000, 0.0001075500000000 ] - [ -0.0002392400000000, 0.0000111100000000, 0.0001514500000000 ] - [ -0.0005144900000000, 0.0000112300000000, -0.0000349100000000 ] - [ -0.0023331600000000, -0.0068286900000000, -0.0011355200000000 ] - [ -0.0004400200000000, -0.0001117500000000, -0.0000966900000000 ] - [ 0.0024496000000000, -0.0136994400000000, 0.0016648900000000 ] - [ -0.0004850800000000, 0.0001098200000000, -0.0001226500000000 ] - [ -0.0008297900000000, -0.0000496100000000, 0.0005792100000000 ] - [ -0.0005549200000000, -0.0000505500000000, -0.0000685700000000 ] - [ 0.0010277900000000, -0.0018773300000000, -0.0005266800000000 ] - [ -0.0004638100000000, 0.0000993200000000, 0.0001052200000000 ] - [ 0.0054160300000000, -0.0006959300000000, 0.0055821300000000 ] - [ -0.0003605100000000, 0.0000019000000000, 0.0000258800000000 ] - [ -0.0124223700000000, -0.0272433500000000, -0.0095213300000000 ] - [ -0.0003430800000000, -0.0000003300000000, 0.0000163900000000 ] - [ -0.0005083400000000, -0.0000634100000000, -0.0001897700000000 ] - [ -0.0004008500000000, -0.0000710300000000, 0.0001942700000000 ] - [ -0.0073241800000000, -0.0026429800000000, 0.0031837700000000 ] - [ -0.0004217300000000, 0.0000061500000000, 0.0000294600000000 ] - [ 0.0032543500000000, -0.0019391700000000, -0.0025293300000000 ] - [ -0.0004188600000000, -0.0000009300000000, -0.0000331300000000 ] - [ -0.0006154300000000, 0.0002885900000000, -0.0005620000000000 ] - [ -0.0010936900000000, 0.0000254100000000, -0.0002184500000000 ] - [ -0.0000793900000000, -0.0062508300000000, -0.0020090900000000 ] - [ 0.0005428500000000, -0.0000315500000000, 0.0000235300000000 ] - [ 0.0004191700000000, -0.0029197300000000, -0.0003385100000000 ] - [ 0.0005959800000000, 0.0000232300000000, 0.0000359900000000 ] - [ -0.0004707200000000, -0.0010740200000000, -0.0006271400000000 ] - [ 0.0004527100000000, -0.0000010400000000, -0.0000080500000000 ] - [ -0.0008343300000000, -0.0000567000000000, -0.0000400500000000 ] - [ 0.0005141800000000, -0.0000220200000000, -0.0001556600000000 ] - [ 0.0009855500000000, 0.0029333500000000, -0.0002761000000000 ] - [ 0.0005521900000000, -0.0000192500000000, -0.0000197400000000 ] - [ -0.0028619200000000, 0.0039127400000000, 0.0007791200000000 ] - [ 0.0005412300000000, 0.0000312500000000, 0.0000208100000000 ] - [ 0.0016878100000000, 0.0002764700000000, -0.0007029900000000 ] - [ 0.0003345200000000, -0.0000068000000000, 0.0000563100000000 ] - [ -0.0009414700000000, -0.0010111600000000, -0.0003896700000000 ] - [ 0.0004643700000000, 0.0000134600000000, 0.0000176100000000 ] - [ -0.0091225100000000, -0.0225194500000000, -0.0058359700000000 ] - [ 0.0010648900000000, -0.0000424200000000, -0.0000938800000000 ] - [ 0.0006551500000000, -0.0009940500000000, 0.0020155500000000 ] - [ 0.0010234800000000, -0.0000370500000000, -0.0002213100000000 ] - [ -0.0386955800000000, -0.0634249200000000, -0.0116095200000000 ] - [ 0.0010705300000000, -0.0000526900000000, 0.0000094100000000 ] - [ -0.0046142400000000, 0.0033065800000000, 0.0013090200000000 ] - [ 0.0010306300000000, 0.0000017800000000, -0.0000019000000000 ] - [ 0.0003135800000000, 0.0009035500000000, 0.0008276500000000 ] - [ 0.0008524700000000, 0.0000969700000000, 0.0000351600000000 ] - [ -0.0084202500000000, 0.0163255000000000, -0.0014657200000000 ] - [ 0.0010563200000000, 0.0000408400000000, -0.0000808700000000 ] - [ 0.0011790700000000, -0.0000202400000000, 0.0005946300000000 ] - [ 0.0007043900000000, 0.0000710600000000, -0.0001533100000000 ] - [ 0.0002992500000000, -0.0017788800000000, -0.0009449100000000 ] - [ 0.0012827500000000, 0.0000502900000000, 0.0003736500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0997112500000000, -0.0389128700000000, -0.1338977100000000 ] - [ 0.0005848900000000, 0.0001311500000000, 0.0001342400000000 ] - [ 0.0155078800000000, -0.0011427700000000, 0.0050957000000000 ] - [ 0.0005882300000000, -0.0001269700000000, 0.0001374700000000 ] - [ 0.0006004600000000, 0.0007616100000000, -0.0015181700000000 ] - [ 0.0004935900000000, 0.0001040400000000, -0.0002160100000000 ] - [ -0.0023157300000000, 0.0066233600000000, 0.0172656700000000 ] - [ 0.0004939000000000, -0.0001164200000000, -0.0001131100000000 ] - [ 0.0031184300000000, 0.0006999800000000, 0.0038495500000000 ] - [ 0.0003575100000000, 0.0000359400000000, 0.0001008700000000 ] - [ 0.0004590000000000, 0.0000112200000000, 0.0003594400000000 ] - [ 0.0001277800000000, -0.0001236000000000, 0.0003570200000000 ] - [ -0.0021641400000000, 0.0000586600000000, 0.0021789700000000 ] - [ 0.0005005200000000, 0.0001199400000000, -0.0001157000000000 ] - [ -0.0000873300000000, -0.0012501700000000, -0.0046348300000000 ] - [ 0.0007570100000000, -0.0001230900000000, -0.0004002000000000 ] - [ 0.0006220100000000, -0.0014165100000000, 0.0007438300000000 ] - [ 0.0003243400000000, 0.0000818300000000, -0.0000064500000000 ] - [ 0.0005704500000000, 0.0006626700000000, 0.0011333200000000 ] - [ 0.0003400800000000, -0.0000586000000000, 0.0000046800000000 ] - [ 0.0024807300000000, 0.0164102100000000, 0.0208624400000000 ] - [ 0.0004535900000000, -0.0000039900000000, -0.0000261400000000 ] - [ -0.0015821800000000, -0.0005380000000000, 0.0010234300000000 ] - [ 0.0004429900000000, -0.0000207300000000, 0.0000297500000000 ] - [ -0.0021574800000000, 0.0004718200000000, -0.0005619200000000 ] - [ 0.0006307000000000, 0.0001010600000000, 0.0002139600000000 ] - [ 0.0004150500000000, -0.0012359600000000, 0.0071103100000000 ] - [ 0.0004393500000000, 0.0000023400000000, 0.0000329800000000 ] - [ 0.0004132400000000, -0.0000112500000000, 0.0003876100000000 ] - [ 0.0003972900000000, 0.0001610700000000, 0.0003863900000000 ] - [ 0.0012893700000000, -0.0016459800000000, 0.0012080800000000 ] - [ 0.0004062100000000, -0.0000543200000000, 0.0001455900000000 ] - [ -0.0021352900000000, -0.0008405200000000, 0.0027693400000000 ] - [ 0.0004916200000000, 0.0001106300000000, -0.0001228800000000 ] - [ 0.0002728700000000, 0.0000387000000000, -0.0003296500000000 ] - [ 0.0006806600000000, -0.0001480100000000, -0.0003294300000000 ] - [ 0.0013106900000000, 0.0011519200000000, -0.0006863900000000 ] - [ 0.0004640000000000, 0.0001004500000000, 0.0001178400000000 ] - [ -0.0032686600000000, 0.0016990900000000, -0.0044068700000000 ] - [ 0.0005175500000000, -0.0001192600000000, 0.0001126900000000 ] - [ 0.0008297100000000, -0.0000715900000000, -0.0006245700000000 ] - [ 0.0026531200000000, 0.0005648500000000, -0.0006251400000000 ] - [ -0.0003457000000000, 0.0005259500000000, 0.0013772900000000 ] - [ 0.0004823200000000, -0.0001090600000000, -0.0001177300000000 ] - [ 0.0045658000000000, -0.0078862100000000, 0.0047537600000000 ] - [ 0.0003593300000000, 0.0000209000000000, -0.0000246200000000 ] - [ 0.0026412600000000, 0.0076995400000000, -0.0004092600000000 ] - [ 0.0003618800000000, -0.0000371100000000, -0.0000318500000000 ] - [ 0.0006936300000000, -0.0000023400000000, -0.0001868800000000 ] - [ -0.0001381000000000, -0.0001165700000000, 0.0000108400000000 ] - [ -0.0053447400000000, -0.0035225300000000, -0.0015078300000000 ] - [ 0.0004980300000000, -0.0000072600000000, -0.0000693000000000 ] - [ -0.0026422600000000, 0.0016577700000000, -0.0009371200000000 ] - [ 0.0004916600000000, 0.0000060500000000, 0.0000682700000000 ] - [ 0.0006139700000000, -0.0000168700000000, -0.0000121700000000 ] - [ -0.0002072200000000, 0.0001597800000000, -0.0004016500000000 ] - [ 0.0070275600000000, 0.0037871300000000, -0.0070028400000000 ] - [ -0.0006339100000000, 0.0000459600000000, -0.0000410400000000 ] - [ 0.0009096400000000, 0.0000990000000000, 0.0011710900000000 ] - [ -0.0006712600000000, -0.0000007700000000, -0.0000290100000000 ] - [ 0.0011459400000000, 0.0023491300000000, -0.0071813700000000 ] - [ -0.0004919300000000, 0.0000028800000000, 0.0000030300000000 ] - [ -0.0013199500000000, -0.0000842900000000, -0.0011860200000000 ] - [ -0.0004479600000000, 0.0000065500000000, -0.0002132000000000 ] - [ 0.0006705000000000, 0.0000137300000000, 0.0002558300000000 ] - [ -0.0006461800000000, -0.0000047700000000, 0.0000167600000000 ] - [ 0.0036512000000000, -0.0025226700000000, -0.0007618400000000 ] - [ -0.0006085900000000, -0.0000444400000000, -0.0000139100000000 ] - [ -0.0005459300000000, -0.0002205200000000, 0.0008102700000000 ] - [ -0.0005839500000000, 0.0002164900000000, 0.0002404800000000 ] - [ 0.0011650500000000, 0.0015353300000000, 0.0057227100000000 ] - [ -0.0004959300000000, -0.0000087400000000, -0.0000058500000000 ] - [ 0.0574481500000000, 0.0094651500000000, 0.0744967800000000 ] - [ -0.0011011300000000, 0.0000473900000000, 0.0001690400000000 ] - [ -0.0033371100000000, 0.0014808900000000, -0.0060107400000000 ] - [ -0.0010144600000000, -0.0000616400000000, 0.0001824400000000 ] - [ 0.0101306300000000, 0.0078154000000000, 0.0238753600000000 ] - [ -0.0011619400000000, 0.0000315300000000, 0.0000083400000000 ] - [ 0.0078355000000000, -0.0073265300000000, -0.0064464500000000 ] - [ -0.0011126800000000, -0.0000095900000000, -0.0000232700000000 ] - [ -0.0010745400000000, -0.0003889800000000, -0.0011570500000000 ] - [ -0.0008353000000000, -0.0000069400000000, -0.0000695900000000 ] - [ 0.0032881500000000, 0.0028002600000000, 0.0028943500000000 ] - [ -0.0010331300000000, -0.0000188600000000, 0.0000583400000000 ] - [ -0.0014300200000000, 0.0001066000000000, -0.0019110200000000 ] - [ -0.0008230600000000, -0.0000565600000000, -0.0003640700000000 ] - [ -0.0009591400000000, 0.0012315900000000, 0.0021442200000000 ] - [ -0.0015868200000000, -0.0007937100000000, 0.0007104700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0962438700000000, 0.0382172100000000, 0.1313477800000000 ] - [ -0.0005664300000000, -0.0001229400000000, -0.0001447400000000 ] - [ -0.0155806300000000, 0.0011521900000000, -0.0050054100000000 ] - [ -0.0005937100000000, 0.0001321900000000, -0.0001256700000000 ] - [ -0.0006154100000000, -0.0007611500000000, 0.0014978600000000 ] - [ -0.0004966300000000, -0.0001077700000000, 0.0002044300000000 ] - [ 0.0022523900000000, -0.0064892000000000, -0.0168705800000000 ] - [ -0.0004748300000000, 0.0001086500000000, 0.0001220600000000 ] - [ -0.0031291000000000, -0.0007075500000000, -0.0038587800000000 ] - [ -0.0003624800000000, -0.0000415100000000, -0.0000881500000000 ] - [ -0.0004373000000000, -0.0000198800000000, -0.0003652900000000 ] - [ -0.0001165100000000, 0.0001157400000000, -0.0003678300000000 ] - [ 0.0021521100000000, -0.0000478200000000, -0.0021760500000000 ] - [ -0.0004816800000000, -0.0001121300000000, 0.0001232000000000 ] - [ 0.0000470500000000, 0.0012356700000000, 0.0045585300000000 ] - [ -0.0007603200000000, 0.0001263800000000, 0.0003876900000000 ] - [ -0.0006176500000000, 0.0014167000000000, -0.0007296700000000 ] - [ -0.0003193300000000, -0.0000820400000000, 0.0000161000000000 ] - [ -0.0005685800000000, -0.0006637300000000, -0.0011399900000000 ] - [ -0.0003350700000000, 0.0000586900000000, -0.0000118600000000 ] - [ -0.0025571900000000, -0.0166767100000000, -0.0210919800000000 ] - [ -0.0004745100000000, 0.0000038400000000, 0.0000551800000000 ] - [ 0.0016179300000000, 0.0005470300000000, -0.0010474300000000 ] - [ -0.0004107600000000, 0.0000208800000000, -0.0000590500000000 ] - [ 0.0021882100000000, -0.0004794400000000, 0.0005961800000000 ] - [ -0.0005977200000000, -0.0001015400000000, -0.0001864800000000 ] - [ -0.0004669700000000, 0.0012870800000000, -0.0071194400000000 ] - [ -0.0004598000000000, -0.0000021400000000, -0.0000595100000000 ] - [ -0.0003924400000000, 0.0000200400000000, -0.0003965900000000 ] - [ -0.0003828300000000, -0.0001527900000000, -0.0003980300000000 ] - [ -0.0012912200000000, 0.0016445200000000, -0.0011912000000000 ] - [ -0.0004113100000000, 0.0000595300000000, -0.0001345300000000 ] - [ 0.0020889100000000, 0.0008217700000000, -0.0027628000000000 ] - [ -0.0004954700000000, -0.0001148400000000, 0.0001112100000000 ] - [ -0.0002565100000000, -0.0000467400000000, 0.0003404600000000 ] - [ -0.0006624800000000, 0.0001414200000000, 0.0003408200000000 ] - [ -0.0012988300000000, -0.0011299000000000, 0.0007167800000000 ] - [ -0.0004691500000000, -0.0001056500000000, -0.0001047900000000 ] - [ 0.0032358400000000, -0.0016258000000000, 0.0043712100000000 ] - [ -0.0004987000000000, 0.0001111100000000, -0.0001213900000000 ] - [ -0.0008158200000000, 0.0000801700000000, 0.0006367000000000 ] - [ -0.0026377100000000, -0.0005594800000000, 0.0006361500000000 ] - [ 0.0003172500000000, -0.0005094200000000, -0.0013883900000000 ] - [ -0.0004862500000000, 0.0001134100000000, 0.0001043700000000 ] - [ -0.0044934000000000, 0.0077141900000000, -0.0046737500000000 ] - [ -0.0003532600000000, -0.0000212100000000, 0.0000329900000000 ] - [ -0.0026298200000000, -0.0075523200000000, 0.0003459700000000 ] - [ -0.0003567000000000, 0.0000373800000000, 0.0000227300000000 ] - [ -0.0007121700000000, 0.0000026900000000, 0.0002105000000000 ] - [ 0.0001183600000000, 0.0001169700000000, 0.0000151100000000 ] - [ 0.0054015600000000, 0.0035503400000000, 0.0013967800000000 ] - [ -0.0004647400000000, 0.0000074200000000, 0.0000385200000000 ] - [ 0.0026454800000000, -0.0016543000000000, 0.0009380600000000 ] - [ -0.0004586500000000, -0.0000061300000000, -0.0000411700000000 ] - [ -0.0006383700000000, 0.0000181200000000, -0.0000204200000000 ] - [ 0.0001934100000000, -0.0001603900000000, 0.0003766100000000 ] - [ -0.0069217800000000, -0.0037705700000000, 0.0067657300000000 ] - [ 0.0006254300000000, -0.0000455300000000, 0.0000400600000000 ] - [ -0.0009303900000000, -0.0000747000000000, -0.0011613300000000 ] - [ 0.0006636700000000, 0.0000013700000000, 0.0000298000000000 ] - [ -0.0010854400000000, -0.0023218200000000, 0.0071957900000000 ] - [ 0.0004845900000000, -0.0000031000000000, -0.0000030600000000 ] - [ 0.0013051300000000, 0.0000874300000000, 0.0011847000000000 ] - [ 0.0004402500000000, -0.0000060000000000, 0.0002149200000000 ] - [ -0.0006878900000000, -0.0000391100000000, -0.0002534000000000 ] - [ 0.0006379600000000, 0.0000031700000000, -0.0000166200000000 ] - [ -0.0036326700000000, 0.0025170600000000, 0.0007408600000000 ] - [ 0.0005997100000000, 0.0000439900000000, 0.0000129100000000 ] - [ 0.0005418700000000, 0.0002247000000000, -0.0008131800000000 ] - [ 0.0005770600000000, -0.0002158300000000, -0.0002423200000000 ] - [ -0.0011516900000000, -0.0015233200000000, -0.0057234000000000 ] - [ 0.0004888200000000, 0.0000088100000000, 0.0000051200000000 ] - [ -0.0539759500000000, -0.0086588200000000, -0.0718393800000000 ] - [ 0.0010849700000000, -0.0000467800000000, -0.0001681100000000 ] - [ 0.0033164500000000, -0.0014693400000000, 0.0059724500000000 ] - [ 0.0009991800000000, 0.0000632600000000, -0.0001883000000000 ] - [ -0.0102011500000000, -0.0079244800000000, -0.0238178900000000 ] - [ 0.0011461200000000, -0.0000321000000000, -0.0000090400000000 ] - [ -0.0077251400000000, 0.0072531400000000, 0.0064475000000000 ] - [ 0.0010961000000000, 0.0000092700000000, 0.0000233300000000 ] - [ 0.0010691400000000, 0.0003845300000000, 0.0011404100000000 ] - [ 0.0008192800000000, 0.0000061900000000, 0.0000666400000000 ] - [ -0.0032136600000000, -0.0027834600000000, -0.0028129300000000 ] - [ 0.0010168600000000, 0.0000182700000000, -0.0000577100000000 ] - [ 0.0014009100000000, -0.0001164400000000, 0.0019089800000000 ] - [ 0.0008101600000000, 0.0000550800000000, 0.0003662200000000 ] - [ 0.0009604100000000, -0.0012444000000000, -0.0021564700000000 ] - [ 0.0015677500000000, 0.0007927300000000, -0.0007153300000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0011663600000000, -0.0003995700000000, 0.0006136600000000 ] - [ 0.0014446400000000, 0.0003637600000000, 0.0003161500000000 ] - [ 0.0016734200000000, -0.0125998300000000, 0.0026701900000000 ] - [ 0.0014930000000000, -0.0003347900000000, 0.0003651600000000 ] - [ 0.0014331800000000, 0.0003534100000000, -0.0003284500000000 ] - [ 0.0011565500000000, -0.0004009500000000, -0.0006249100000000 ] - [ 0.0009635600000000, -0.0003271900000000, -0.0005635600000000 ] - [ 0.0014103900000000, -0.0002603200000000, -0.0003317700000000 ] - [ 0.0013973500000000, 0.0002478600000000, 0.0003435600000000 ] - [ 0.0009599400000000, 0.0003119900000000, 0.0005767500000000 ] - [ 0.0015123400000000, -0.0003631600000000, 0.0003500100000000 ] - [ -0.0020035300000000, 0.0053764700000000, 0.0045036000000000 ] - [ 0.0009635600000000, 0.0003271900000000, -0.0005635600000000 ] - [ 0.0014103900000000, 0.0002603200000000, -0.0003317700000000 ] - [ 0.0014331800000000, -0.0003534100000000, -0.0003284500000000 ] - [ 0.0011565500000000, 0.0004009500000000, -0.0006249100000000 ] - [ -0.0350969200000000, 0.0000000000000000, -0.0003399600000000 ] - [ 0.0011041000000000, 0.0000000000000000, 0.0000048700000000 ] - [ -0.0041291500000000, 0.0000000000000000, 0.0000064600000000 ] - [ 0.0010895900000000, 0.0000000000000000, -0.0000056000000000 ] - [ 0.0012527600000000, 0.0000000000000000, -0.0006273000000000 ] - [ 0.0013763400000000, 0.0000000000000000, -0.0001315200000000 ] - [ 0.0015154200000000, 0.0000000000000000, -0.0001918000000000 ] - [ 0.0029494100000000, 0.0000000000000000, 0.0017027900000000 ] - [ 0.0014021400000000, 0.0000000000000000, 0.0001548500000000 ] - [ 0.0012854400000000, 0.0000000000000000, 0.0006470400000000 ] - [ 0.0029506500000000, 0.0000000000000000, -0.0017532700000000 ] - [ 0.0014871900000000, 0.0000000000000000, 0.0001651700000000 ] - [ 0.0015123400000000, 0.0003631600000000, 0.0003500100000000 ] - [ -0.0020035300000000, -0.0053764700000000, 0.0045036000000000 ] - [ 0.0013973500000000, -0.0002478600000000, 0.0003435600000000 ] - [ 0.0009599400000000, -0.0003119900000000, 0.0005767500000000 ] - [ -0.0020250700000000, -0.0054119100000000, -0.0045545800000000 ] - [ 0.0015014600000000, 0.0003520200000000, -0.0003626700000000 ] - [ 0.0015039300000000, -0.0003452300000000, -0.0003541100000000 ] - [ 0.0016698100000000, -0.0125264600000000, -0.0026018900000000 ] - [ 0.0016734200000000, 0.0125998300000000, 0.0026701900000000 ] - [ 0.0014930000000000, 0.0003347900000000, 0.0003651600000000 ] - [ 0.0011663600000000, 0.0003995700000000, 0.0006136600000000 ] - [ 0.0014446400000000, -0.0003637600000000, 0.0003161500000000 ] - [ 0.0015039300000000, 0.0003452300000000, -0.0003541100000000 ] - [ 0.0016698100000000, 0.0125264600000000, -0.0026018900000000 ] - [ -0.0020250700000000, 0.0054119100000000, -0.0045545800000000 ] - [ 0.0015014600000000, -0.0003520200000000, -0.0003626700000000 ] - [ 0.0009199100000000, 0.0000000000000000, 0.0000929300000000 ] - [ 0.0009213000000000, 0.0000000000000000, -0.0000799800000000 ] - [ 0.0015123600000000, 0.0000000000000000, 0.0003731000000000 ] - [ 0.0015053500000000, 0.0000000000000000, -0.0003791900000000 ] - [ 0.0013067900000000, 0.0000000000000000, -0.0000902000000000 ] - [ -0.0020758000000000, 0.0000000000000000, -0.0010555900000000 ] - [ -0.0021124400000000, 0.0000000000000000, 0.0024581100000000 ] - [ 0.0013212200000000, 0.0000000000000000, -0.0001344200000000 ] - [ -0.0020601200000000, 0.0000000000000000, 0.0010991200000000 ] - [ 0.0013332300000000, 0.0000000000000000, 0.0001146400000000 ] - [ 0.0012945300000000, 0.0000000000000000, 0.0001091200000000 ] - [ -0.0021305900000000, 0.0000000000000000, -0.0024789800000000 ] - [ -0.0019646800000000, 0.0003859400000000, 0.0000375400000000 ] - [ -0.0019635200000000, -0.0003797200000000, -0.0000368700000000 ] - [ 0.0075860000000000, -0.0000007500000000, -0.0000000400000000 ] - [ -0.0017389200000000, -0.0000000500000000, 0.0000000300000000 ] - [ 0.0002150300000000, 0.0000000000000000, 0.0001808800000000 ] - [ -0.0014244100000000, 0.0000000000000000, 0.0000149100000000 ] - [ -0.0014239400000000, 0.0000000000000000, -0.0000150500000000 ] - [ 0.0002030200000000, 0.0000000000000000, -0.0001818900000000 ] - [ 0.0075860000000000, 0.0000007500000000, -0.0000000400000000 ] - [ -0.0017389200000000, 0.0000000500000000, 0.0000000300000000 ] - [ -0.0019646800000000, -0.0003859400000000, 0.0000375400000000 ] - [ -0.0019635200000000, 0.0003797200000000, -0.0000368700000000 ] - [ -0.0015048700000000, 0.0000000000000000, 0.0000342800000000 ] - [ -0.0062588000000000, 0.0000000000000000, 0.0058965800000000 ] - [ -0.0061130500000000, 0.0000000000000000, -0.0058742100000000 ] - [ -0.0015043100000000, 0.0000000000000000, -0.0000344600000000 ] - [ -0.0029312800000000, 0.0003363400000000, -0.0003153700000000 ] - [ -0.0029337200000000, -0.0003326100000000, 0.0003098400000000 ] - [ 0.0241682400000000, 0.0002374400000000, 0.0001272000000000 ] - [ -0.0032617900000000, 0.0000000500000000, -0.0000001000000000 ] - [ -0.0036042700000000, 0.0000000000000000, -0.0019901100000000 ] - [ -0.0032978700000000, 0.0000000000000000, 0.0000287900000000 ] - [ -0.0025020200000000, 0.0000000000000000, 0.0052082900000000 ] - [ -0.0033320400000000, 0.0000000000000000, -0.0000664900000000 ] - [ 0.0241682400000000, -0.0002374400000000, 0.0001272000000000 ] - [ -0.0032617900000000, -0.0000000500000000, -0.0000001000000000 ] - [ -0.0029312800000000, -0.0003363400000000, -0.0003153700000000 ] - [ -0.0029337200000000, 0.0003326100000000, 0.0003098400000000 ] - [ -0.0033322500000000, 0.0000000000000000, 0.0000670800000000 ] - [ -0.0025334500000000, 0.0000000000000000, -0.0051780000000000 ] - [ -0.0032975200000000, 0.0000000000000000, -0.0000291200000000 ] - [ -0.0036472700000000, 0.0000000000000000, 0.0019994200000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0024145100000000, -0.0001755800000000, -0.0014156800000000 ] - [ 0.0004850800000000, 0.0001081800000000, 0.0000750900000000 ] - [ -0.0188032700000000, 0.0272406800000000, -0.0075235200000000 ] - [ 0.0000472100000000, 0.0000047100000000, 0.0000431900000000 ] - [ 0.0004774300000000, 0.0001009200000000, -0.0000880400000000 ] - [ -0.0024496100000000, -0.0002006700000000, 0.0014183900000000 ] - [ -0.0015801200000000, -0.0001506500000000, 0.0006730700000000 ] - [ 0.0003413000000000, -0.0000670500000000, -0.0000521500000000 ] - [ -0.0003413000000000, -0.0000670500000000, -0.0000521500000000 ] - [ 0.0015801200000000, -0.0001506500000000, 0.0006730700000000 ] - [ -0.0000276100000000, -0.0000049300000000, -0.0000274900000000 ] - [ 0.0062379600000000, 0.0007726200000000, 0.0077584300000000 ] - [ 0.0015807800000000, -0.0001531900000000, -0.0006543600000000 ] - [ -0.0003282200000000, -0.0000605200000000, 0.0000643100000000 ] - [ -0.0004850800000000, 0.0001081800000000, 0.0000750900000000 ] - [ 0.0024145100000000, -0.0001755800000000, -0.0014156800000000 ] - [ 0.0000000000000000, -0.3209428800000000, 0.0031093700000000 ] - [ 0.0000000000000000, -0.0000789900000000, 0.0000053100000000 ] - [ 0.0000000000000000, 0.0137284500000000, -0.0000046000000000 ] - [ 0.0000000000000000, 0.0000708700000000, -0.0000050400000000 ] - [ 0.0000068800000000, 0.0028014200000000, -0.0000050900000000 ] - [ -0.0000149700000000, 0.0000802100000000, 0.0000148300000000 ] - [ 0.0000136600000000, -0.0000685300000000, -0.0000153100000000 ] - [ 0.0000245700000000, -0.0019317500000000, -0.0000083200000000 ] - [ 0.0000149700000000, 0.0000802100000000, 0.0000148300000000 ] - [ -0.0000068800000000, 0.0028014200000000, -0.0000050900000000 ] - [ -0.0000245700000000, -0.0019317500000000, -0.0000083200000000 ] - [ -0.0000136600000000, -0.0000685300000000, -0.0000153100000000 ] - [ 0.0000375000000000, 0.0000012700000000, 0.0000142000000000 ] - [ -0.0062921300000000, 0.0007126700000000, -0.0078421400000000 ] - [ 0.0003282200000000, -0.0000605200000000, 0.0000643100000000 ] - [ -0.0015807800000000, -0.0001531900000000, -0.0006543600000000 ] - [ -0.0062379600000000, 0.0007726200000000, 0.0077584300000000 ] - [ 0.0000276100000000, -0.0000049300000000, -0.0000274900000000 ] - [ 0.0000583100000000, -0.0000029300000000, -0.0000306700000000 ] - [ -0.0191202500000000, 0.0275407400000000, 0.0077309100000000 ] - [ 0.0191202500000000, 0.0275407400000000, 0.0077309100000000 ] - [ -0.0000583100000000, -0.0000029300000000, -0.0000306700000000 ] - [ 0.0024496100000000, -0.0002006700000000, 0.0014183900000000 ] - [ -0.0004774300000000, 0.0001009200000000, -0.0000880400000000 ] - [ -0.0000472100000000, 0.0000047100000000, 0.0000431900000000 ] - [ 0.0188032700000000, 0.0272406800000000, -0.0075235200000000 ] - [ 0.0062921300000000, 0.0007126700000000, -0.0078421400000000 ] - [ -0.0000375000000000, 0.0000012700000000, 0.0000142000000000 ] - [ -0.0000000500000000, 0.0010380800000000, 0.0000064500000000 ] - [ 0.0000000500000000, 0.0010380800000000, 0.0000064500000000 ] - [ -0.0000029400000000, -0.0012968600000000, -0.0000051700000000 ] - [ 0.0000029400000000, -0.0012968600000000, -0.0000051700000000 ] - [ -0.0000142500000000, -0.0000580200000000, 0.0000148300000000 ] - [ -0.0000040200000000, -0.0034898300000000, -0.0000049200000000 ] - [ 0.0000048400000000, 0.0050739400000000, 0.0000179900000000 ] - [ 0.0000138000000000, 0.0000713100000000, -0.0000145600000000 ] - [ 0.0000040200000000, -0.0034898300000000, -0.0000049200000000 ] - [ 0.0000142500000000, -0.0000580200000000, 0.0000148300000000 ] - [ -0.0000138000000000, 0.0000713100000000, -0.0000145600000000 ] - [ -0.0000048400000000, 0.0050739400000000, 0.0000179900000000 ] - [ 0.0004636400000000, -0.0000025300000000, -0.0001016000000000 ] - [ -0.0004636400000000, -0.0000025300000000, -0.0001016000000000 ] - [ 0.0000000000000000, -0.0008852800000000, 0.0021978200000000 ] - [ 0.0000000000000000, 0.0000004800000000, 0.0000043900000000 ] - [ 0.0000018400000000, -0.0045139600000000, 0.0000039800000000 ] - [ 0.0000002400000000, -0.0000915000000000, 0.0000001900000000 ] - [ -0.0000002400000000, -0.0000915000000000, 0.0000001900000000 ] - [ -0.0000018400000000, -0.0045139600000000, 0.0000039800000000 ] - [ 0.0000000000000000, -0.0008317500000000, -0.0022033100000000 ] - [ 0.0000000000000000, 0.0000009700000000, -0.0000048600000000 ] - [ -0.0004646000000000, 0.0000101600000000, 0.0001049200000000 ] - [ 0.0004646000000000, 0.0000101600000000, 0.0001049200000000 ] - [ 0.0000002600000000, 0.0001251100000000, -0.0000001600000000 ] - [ -0.0000432100000000, 0.0070081800000000, 0.0000138200000000 ] - [ 0.0000432100000000, 0.0070081800000000, 0.0000138200000000 ] - [ -0.0000002600000000, 0.0001251100000000, -0.0000001600000000 ] - [ 0.0014776900000000, 0.0000561800000000, 0.0004256700000000 ] - [ -0.0014776900000000, 0.0000561800000000, 0.0004256700000000 ] - [ 0.0000000000000000, 0.0970695700000000, 0.0353412100000000 ] - [ 0.0000000000000000, 0.0000035200000000, -0.0000158200000000 ] - [ -0.0000160900000000, -0.0200406800000000, -0.0000115500000000 ] - [ 0.0000008100000000, -0.0004549300000000, -0.0000004600000000 ] - [ 0.0000188200000000, 0.0132865400000000, -0.0000115300000000 ] - [ -0.0000011500000000, 0.0003235100000000, 0.0000003200000000 ] - [ 0.0000000000000000, 0.1045475400000000, -0.0386985200000000 ] - [ 0.0000000000000000, 0.0000038700000000, 0.0000171600000000 ] - [ -0.0014755800000000, 0.0000644700000000, -0.0004394200000000 ] - [ 0.0014755800000000, 0.0000644700000000, -0.0004394200000000 ] - [ 0.0000011500000000, 0.0003235100000000, 0.0000003200000000 ] - [ -0.0000188200000000, 0.0132865400000000, -0.0000115300000000 ] - [ -0.0000008100000000, -0.0004549300000000, -0.0000004600000000 ] - [ 0.0000160900000000, -0.0200406800000000, -0.0000115500000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0010540400000000, 0.0000716200000000, 0.0007309300000000 ] - [ -0.0002025500000000, -0.0000295700000000, -0.0000160900000000 ] - [ 0.0064795200000000, -0.0095683900000000, -0.0003871500000000 ] - [ -0.0000439300000000, 0.0000237700000000, -0.0000226300000000 ] - [ 0.0002025500000000, 0.0000295700000000, -0.0000160900000000 ] - [ -0.0010540400000000, -0.0000716200000000, 0.0007309300000000 ] - [ -0.0013368700000000, -0.0001668000000000, 0.0011419600000000 ] - [ 0.0002606200000000, -0.0000331500000000, 0.0000137900000000 ] - [ -0.0002606200000000, -0.0000331500000000, 0.0000137900000000 ] - [ 0.0013368700000000, -0.0001668000000000, 0.0011419600000000 ] - [ -0.0000364500000000, 0.0000173500000000, -0.0000338100000000 ] - [ 0.0049139800000000, 0.0055161600000000, 0.0046872500000000 ] - [ -0.0013368700000000, 0.0001668000000000, 0.0011419600000000 ] - [ 0.0002606200000000, 0.0000331500000000, 0.0000137900000000 ] - [ 0.0002025500000000, -0.0000295700000000, -0.0000160900000000 ] - [ -0.0010540400000000, 0.0000716200000000, 0.0007309300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0815632800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000265500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004273400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000297100000000 ] - [ 0.0013929400000000, 0.0000000000000000, -0.0020707100000000 ] - [ -0.0000719000000000, 0.0000000000000000, -0.0000374100000000 ] - [ -0.0000602500000000, 0.0000000000000000, -0.0000771300000000 ] - [ 0.0015007000000000, 0.0000000000000000, -0.0020095700000000 ] - [ 0.0000719000000000, 0.0000000000000000, -0.0000374100000000 ] - [ -0.0013929400000000, 0.0000000000000000, -0.0020707100000000 ] - [ -0.0015007000000000, 0.0000000000000000, -0.0020095700000000 ] - [ 0.0000602500000000, 0.0000000000000000, -0.0000771300000000 ] - [ -0.0000364500000000, -0.0000173500000000, -0.0000338100000000 ] - [ 0.0049139800000000, -0.0055161600000000, 0.0046872500000000 ] - [ -0.0002606200000000, 0.0000331500000000, 0.0000137900000000 ] - [ 0.0013368700000000, 0.0001668000000000, 0.0011419600000000 ] - [ -0.0049139800000000, 0.0055161600000000, 0.0046872500000000 ] - [ 0.0000364500000000, 0.0000173500000000, -0.0000338100000000 ] - [ 0.0000439300000000, -0.0000237700000000, -0.0000226300000000 ] - [ -0.0064795200000000, 0.0095683900000000, -0.0003871500000000 ] - [ 0.0064795200000000, 0.0095683900000000, -0.0003871500000000 ] - [ -0.0000439300000000, -0.0000237700000000, -0.0000226300000000 ] - [ 0.0010540400000000, -0.0000716200000000, 0.0007309300000000 ] - [ -0.0002025500000000, 0.0000295700000000, -0.0000160900000000 ] - [ 0.0000439300000000, 0.0000237700000000, -0.0000226300000000 ] - [ -0.0064795200000000, -0.0095683900000000, -0.0003871500000000 ] - [ -0.0049139800000000, -0.0055161600000000, 0.0046872500000000 ] - [ 0.0000364500000000, -0.0000173500000000, -0.0000338100000000 ] - [ -0.0000868600000000, 0.0000000000000000, 0.0003105800000000 ] - [ 0.0000868600000000, 0.0000000000000000, 0.0003105800000000 ] - [ 0.0003774000000000, 0.0000000000000000, 0.0005427100000000 ] - [ -0.0003774000000000, 0.0000000000000000, 0.0005427100000000 ] - [ -0.0000391400000000, 0.0000000000000000, 0.0000654200000000 ] - [ -0.0019181100000000, 0.0000000000000000, 0.0062003100000000 ] - [ -0.0002315600000000, 0.0000000000000000, 0.0030318400000000 ] - [ -0.0000151700000000, 0.0000000000000000, 0.0000288500000000 ] - [ 0.0019181100000000, 0.0000000000000000, 0.0062003100000000 ] - [ 0.0000391400000000, 0.0000000000000000, 0.0000654200000000 ] - [ 0.0000151700000000, 0.0000000000000000, 0.0000288500000000 ] - [ 0.0002315600000000, 0.0000000000000000, 0.0030318400000000 ] - [ 0.0000520300000000, -0.0005769000000000, 0.0003483000000000 ] - [ -0.0000520300000000, -0.0005769000000000, 0.0003483000000000 ] - [ 0.0000000000000000, 0.0025143900000000, -0.0068393200000000 ] - [ 0.0000000000000000, -0.0000297100000000, -0.0000243800000000 ] - [ 0.0018286600000000, 0.0000000000000000, -0.0001831100000000 ] - [ -0.0000117800000000, 0.0000000000000000, 0.0000245900000000 ] - [ 0.0000117800000000, 0.0000000000000000, 0.0000245900000000 ] - [ -0.0018286600000000, 0.0000000000000000, -0.0001831100000000 ] - [ 0.0000000000000000, -0.0025143900000000, -0.0068393200000000 ] - [ 0.0000000000000000, 0.0000297100000000, -0.0000243800000000 ] - [ 0.0000520300000000, 0.0005769000000000, 0.0003483000000000 ] - [ -0.0000520300000000, 0.0005769000000000, 0.0003483000000000 ] - [ -0.0000389100000000, 0.0000000000000000, 0.0000451300000000 ] - [ 0.0063709600000000, 0.0000000000000000, 0.0009981000000000 ] - [ -0.0063709600000000, 0.0000000000000000, 0.0009981000000000 ] - [ 0.0000389100000000, 0.0000000000000000, 0.0000451300000000 ] - [ -0.0000405100000000, -0.0001360900000000, -0.0013765400000000 ] - [ 0.0000405100000000, -0.0001360900000000, -0.0013765400000000 ] - [ 0.0000000000000000, 0.0404371300000000, 0.0382286000000000 ] - [ 0.0000000000000000, -0.0000298700000000, 0.0000997700000000 ] - [ -0.0035046000000000, 0.0000000000000000, -0.0021847200000000 ] - [ 0.0001567200000000, 0.0000000000000000, 0.0000150000000000 ] - [ 0.0077423700000000, 0.0000000000000000, -0.0053054500000000 ] - [ -0.0001539400000000, 0.0000000000000000, -0.0000077000000000 ] - [ 0.0000000000000000, -0.0404371300000000, 0.0382286000000000 ] - [ 0.0000000000000000, 0.0000298700000000, 0.0000997700000000 ] - [ -0.0000405100000000, 0.0001360900000000, -0.0013765400000000 ] - [ 0.0000405100000000, 0.0001360900000000, -0.0013765400000000 ] - [ 0.0001539400000000, 0.0000000000000000, -0.0000077000000000 ] - [ -0.0077423700000000, 0.0000000000000000, -0.0053054500000000 ] - [ -0.0001567200000000, 0.0000000000000000, 0.0000150000000000 ] - [ 0.0035046000000000, 0.0000000000000000, -0.0021847200000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0010454500000000, -0.0000650200000000, -0.0007427200000000 ] - [ 0.0002134400000000, 0.0000372600000000, 0.0000055100000000 ] - [ -0.0064808700000000, 0.0095886800000000, 0.0003691800000000 ] - [ 0.0000331200000000, -0.0000162100000000, 0.0000330200000000 ] - [ -0.0002134400000000, -0.0000372600000000, 0.0000055100000000 ] - [ 0.0010454500000000, 0.0000650200000000, -0.0007427200000000 ] - [ 0.0013529000000000, 0.0001548400000000, -0.0011302800000000 ] - [ -0.0002505200000000, 0.0000253000000000, -0.0000024900000000 ] - [ 0.0002505200000000, 0.0000253000000000, -0.0000024900000000 ] - [ -0.0013529000000000, 0.0001548400000000, -0.0011302800000000 ] - [ 0.0000472900000000, -0.0000248800000000, 0.0000240700000000 ] - [ -0.0049629600000000, -0.0056101400000000, -0.0047408900000000 ] - [ 0.0013529000000000, -0.0001548400000000, -0.0011302800000000 ] - [ -0.0002505200000000, -0.0000253000000000, -0.0000024900000000 ] - [ -0.0002134400000000, 0.0000372600000000, 0.0000055100000000 ] - [ 0.0010454500000000, -0.0000650200000000, -0.0007427200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0811856600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000338200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004376100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000226300000000 ] - [ -0.0014176300000000, 0.0000000000000000, 0.0020929000000000 ] - [ 0.0000428800000000, 0.0000000000000000, 0.0000692600000000 ] - [ 0.0000894600000000, 0.0000000000000000, 0.0000452500000000 ] - [ -0.0014646500000000, 0.0000000000000000, 0.0019829400000000 ] - [ -0.0000428800000000, 0.0000000000000000, 0.0000692600000000 ] - [ 0.0014176300000000, 0.0000000000000000, 0.0020929000000000 ] - [ 0.0014646500000000, 0.0000000000000000, 0.0019829400000000 ] - [ -0.0000894600000000, 0.0000000000000000, 0.0000452500000000 ] - [ 0.0000472900000000, 0.0000248800000000, 0.0000240700000000 ] - [ -0.0049629600000000, 0.0056101400000000, -0.0047408900000000 ] - [ 0.0002505200000000, -0.0000253000000000, -0.0000024900000000 ] - [ -0.0013529000000000, -0.0001548400000000, -0.0011302800000000 ] - [ 0.0049629600000000, -0.0056101400000000, -0.0047408900000000 ] - [ -0.0000472900000000, -0.0000248800000000, 0.0000240700000000 ] - [ -0.0000331200000000, 0.0000162100000000, 0.0000330200000000 ] - [ 0.0064808700000000, -0.0095886800000000, 0.0003691800000000 ] - [ -0.0064808700000000, -0.0095886800000000, 0.0003691800000000 ] - [ 0.0000331200000000, 0.0000162100000000, 0.0000330200000000 ] - [ -0.0010454500000000, 0.0000650200000000, -0.0007427200000000 ] - [ 0.0002134400000000, -0.0000372600000000, 0.0000055100000000 ] - [ -0.0000331200000000, -0.0000162100000000, 0.0000330200000000 ] - [ 0.0064808700000000, 0.0095886800000000, 0.0003691800000000 ] - [ 0.0049629600000000, 0.0056101400000000, -0.0047408900000000 ] - [ -0.0000472900000000, 0.0000248800000000, 0.0000240700000000 ] - [ 0.0000872200000000, 0.0000000000000000, -0.0003041000000000 ] - [ -0.0000872200000000, 0.0000000000000000, -0.0003041000000000 ] - [ -0.0003754500000000, 0.0000000000000000, -0.0005496300000000 ] - [ 0.0003754500000000, 0.0000000000000000, -0.0005496300000000 ] - [ 0.0000099000000000, 0.0000000000000000, -0.0000347400000000 ] - [ 0.0018652300000000, 0.0000000000000000, -0.0061428700000000 ] - [ 0.0002560600000000, 0.0000000000000000, -0.0030688200000000 ] - [ 0.0000449500000000, 0.0000000000000000, -0.0000601700000000 ] - [ -0.0018652300000000, 0.0000000000000000, -0.0061428700000000 ] - [ -0.0000099000000000, 0.0000000000000000, -0.0000347400000000 ] - [ -0.0000449500000000, 0.0000000000000000, -0.0000601700000000 ] - [ -0.0002560600000000, 0.0000000000000000, -0.0030688200000000 ] - [ -0.0000513500000000, 0.0005761800000000, -0.0003488800000000 ] - [ 0.0000513500000000, 0.0005761800000000, -0.0003488800000000 ] - [ 0.0000000000000000, -0.0024760000000000, 0.0068279100000000 ] - [ 0.0000000000000000, 0.0000298200000000, 0.0000245500000000 ] - [ -0.0018269300000000, 0.0000000000000000, 0.0001845400000000 ] - [ 0.0000120400000000, 0.0000000000000000, -0.0000245500000000 ] - [ -0.0000120400000000, 0.0000000000000000, -0.0000245500000000 ] - [ 0.0018269300000000, 0.0000000000000000, 0.0001845400000000 ] - [ 0.0000000000000000, 0.0024760000000000, 0.0068279100000000 ] - [ 0.0000000000000000, -0.0000298200000000, 0.0000245500000000 ] - [ -0.0000513500000000, -0.0005761800000000, -0.0003488800000000 ] - [ 0.0000513500000000, -0.0005761800000000, -0.0003488800000000 ] - [ 0.0000388100000000, 0.0000000000000000, -0.0000444500000000 ] - [ -0.0064142900000000, 0.0000000000000000, -0.0009453400000000 ] - [ 0.0064142900000000, 0.0000000000000000, -0.0009453400000000 ] - [ -0.0000388100000000, 0.0000000000000000, -0.0000444500000000 ] - [ 0.0000403200000000, 0.0001378900000000, 0.0013797500000000 ] - [ -0.0000403200000000, 0.0001378900000000, 0.0013797500000000 ] - [ 0.0000000000000000, -0.0412044000000000, -0.0379634700000000 ] - [ 0.0000000000000000, 0.0000297700000000, -0.0000995800000000 ] - [ 0.0035564600000000, 0.0000000000000000, 0.0021905300000000 ] - [ -0.0001570200000000, 0.0000000000000000, -0.0000145700000000 ] - [ -0.0077658200000000, 0.0000000000000000, 0.0052948700000000 ] - [ 0.0001543800000000, 0.0000000000000000, 0.0000071900000000 ] - [ 0.0000000000000000, 0.0412044000000000, -0.0379634700000000 ] - [ 0.0000000000000000, -0.0000297700000000, -0.0000995800000000 ] - [ 0.0000403200000000, -0.0001378900000000, 0.0013797500000000 ] - [ -0.0000403200000000, -0.0001378900000000, 0.0013797500000000 ] - [ -0.0001543800000000, 0.0000000000000000, 0.0000071900000000 ] - [ 0.0077658200000000, 0.0000000000000000, 0.0052948700000000 ] - [ 0.0001570200000000, 0.0000000000000000, -0.0000145700000000 ] - [ -0.0035564600000000, 0.0000000000000000, 0.0021905300000000 ]- atom: 21 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0089464700000000, 0.0019024900000000, 0.0024457700000000 ] - [ 0.0018591700000000, 0.0004176600000000, 0.0004593500000000 ] - [ 0.0065091700000000, -0.0072199700000000, -0.0053273400000000 ] - [ 0.0018889900000000, -0.0004292000000000, 0.0004869400000000 ] - [ -0.0010150700000000, -0.0012014000000000, 0.0021754100000000 ] - [ 0.0019286700000000, 0.0004317400000000, -0.0006185700000000 ] - [ -0.0047276900000000, 0.0013258300000000, -0.0004395000000000 ] - [ 0.0017944600000000, -0.0004089200000000, -0.0004451800000000 ] - [ -0.0008152800000000, 0.0001482200000000, -0.0016026700000000 ] - [ 0.0016662500000000, 0.0003149400000000, 0.0004319600000000 ] - [ 0.0017199400000000, -0.0003859400000000, -0.0001350500000000 ] - [ 0.0013564200000000, -0.0004947300000000, 0.0006973100000000 ] - [ -0.0047276900000000, -0.0013258300000000, -0.0004395000000000 ] - [ 0.0017944600000000, 0.0004089200000000, -0.0004451800000000 ] - [ -0.0010150700000000, 0.0012014000000000, 0.0021754100000000 ] - [ 0.0019286700000000, -0.0004317400000000, -0.0006185700000000 ] - [ 0.0012701500000000, 0.0000000000000000, 0.0014071200000000 ] - [ 0.0013897300000000, 0.0000000000000000, -0.0000523800000000 ] - [ 0.0029365000000000, 0.0000000000000000, 0.0014724700000000 ] - [ 0.0015021600000000, 0.0000000000000000, -0.0000799900000000 ] - [ -0.0869759700000000, 0.0000000000000000, 0.0357745800000000 ] - [ 0.0016392100000000, 0.0000000000000000, -0.0001441500000000 ] - [ 0.0045667000000000, 0.0000000000000000, -0.0015958900000000 ] - [ 0.0015790800000000, 0.0000000000000000, -0.0000606300000000 ] - [ 0.0108780300000000, 0.0000000000000000, 0.0019086600000000 ] - [ 0.0018629100000000, 0.0000000000000000, 0.0003002300000000 ] - [ -0.0071447400000000, 0.0000000000000000, -0.0006522100000000 ] - [ 0.0016106100000000, 0.0000000000000000, 0.0001440300000000 ] - [ 0.0017199400000000, 0.0003859400000000, -0.0001350500000000 ] - [ 0.0013564200000000, 0.0004947300000000, 0.0006973100000000 ] - [ -0.0008152800000000, -0.0001482200000000, -0.0016026700000000 ] - [ 0.0016662500000000, -0.0003149400000000, 0.0004319600000000 ] - [ -0.0017155400000000, -0.0032392900000000, 0.0026324200000000 ] - [ 0.0018119800000000, 0.0004265000000000, -0.0004803200000000 ] - [ 0.0021942100000000, -0.0010803400000000, 0.0002081100000000 ] - [ 0.0027746000000000, -0.0005979700000000, -0.0006207200000000 ] - [ 0.0065091700000000, 0.0072199700000000, -0.0053273400000000 ] - [ 0.0018889900000000, 0.0004292000000000, 0.0004869400000000 ] - [ -0.0089464700000000, -0.0019024900000000, 0.0024457700000000 ] - [ 0.0018591700000000, -0.0004176600000000, 0.0004593500000000 ] - [ 0.0021942100000000, 0.0010803400000000, 0.0002081100000000 ] - [ 0.0027746000000000, 0.0005979700000000, -0.0006207200000000 ] - [ -0.0017155400000000, 0.0032392900000000, 0.0026324200000000 ] - [ 0.0018119800000000, -0.0004265000000000, -0.0004803200000000 ] - [ -0.0020760700000000, 0.0000000000000000, -0.0019038700000000 ] - [ 0.0013215400000000, 0.0000000000000000, -0.0000195500000000 ] - [ -0.0021362700000000, 0.0000000000000000, -0.0002534800000000 ] - [ 0.0013090000000000, 0.0000000000000000, -0.0000341000000000 ] - [ 0.0009644900000000, 0.0000000000000000, 0.0000497800000000 ] - [ 0.0009678500000000, 0.0000000000000000, -0.0001132600000000 ] - [ -0.0002275600000000, 0.0000000000000000, 0.0001418700000000 ] - [ 0.0015700000000000, 0.0000000000000000, -0.0001310400000000 ] - [ -0.0032567000000000, 0.0000000000000000, -0.0005483600000000 ] - [ 0.0015482500000000, 0.0000000000000000, 0.0001383200000000 ] - [ 0.0011296600000000, 0.0000000000000000, -0.0001062300000000 ] - [ 0.0011336700000000, 0.0000000000000000, -0.0003010000000000 ] - [ 0.0078281700000000, -0.0027205900000000, 0.0007222300000000 ] - [ -0.0021563600000000, 0.0000638800000000, -0.0000303500000000 ] - [ -0.0007299500000000, 0.0006584100000000, 0.0014672500000000 ] - [ -0.0019565900000000, -0.0000505900000000, -0.0000664700000000 ] - [ 0.0137535400000000, 0.0000000000000000, 0.0145732100000000 ] - [ -0.0017856500000000, 0.0000000000000000, 0.0000897000000000 ] - [ -0.0018502900000000, 0.0000000000000000, 0.0022122800000000 ] - [ -0.0018774400000000, 0.0000000000000000, -0.0003217200000000 ] - [ -0.0007299500000000, -0.0006584100000000, 0.0014672500000000 ] - [ -0.0019565900000000, 0.0000505900000000, -0.0000664700000000 ] - [ 0.0078281700000000, 0.0027205900000000, 0.0007222300000000 ] - [ -0.0021563600000000, -0.0000638800000000, -0.0000303500000000 ] - [ -0.0009436800000000, 0.0000000000000000, -0.0012865500000000 ] - [ -0.0018465000000000, 0.0000000000000000, 0.0002739100000000 ] - [ 0.0065261700000000, 0.0000000000000000, 0.0006059300000000 ] - [ -0.0017778300000000, 0.0000000000000000, -0.0000895500000000 ] - [ 0.0062557100000000, -0.0016257900000000, 0.0002122300000000 ] - [ -0.0038903700000000, 0.0000465600000000, 0.0001182500000000 ] - [ -0.0064979100000000, 0.0028868700000000, -0.0053885700000000 ] - [ -0.0043951400000000, -0.0001798700000000, 0.0002392900000000 ] - [ 0.0578259500000000, 0.0000000000000000, -0.0429480300000000 ] - [ -0.0040897800000000, 0.0000000000000000, -0.0001125500000000 ] - [ 0.0123908000000000, 0.0000000000000000, -0.0004339000000000 ] - [ -0.0040062900000000, 0.0000000000000000, 0.0000912600000000 ] - [ -0.0064979100000000, -0.0028868700000000, -0.0053885700000000 ] - [ -0.0043951400000000, 0.0001798700000000, 0.0002392900000000 ] - [ 0.0062557100000000, 0.0016257900000000, 0.0002122300000000 ] - [ -0.0038903700000000, -0.0000465600000000, 0.0001182500000000 ] - [ -0.0025063800000000, 0.0000000000000000, 0.0029951300000000 ] - [ -0.0036444500000000, 0.0000000000000000, -0.0003852700000000 ] - [ -0.0043672200000000, 0.0000000000000000, -0.0056507100000000 ] - [ -0.0046459400000000, 0.0000000000000000, 0.0007623700000000 ]- atom: 21 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0089075000000000, -0.0019537300000000, -0.0025921800000000 ] - [ -0.0018466300000000, -0.0004112100000000, -0.0004704200000000 ] - [ -0.0066000700000000, 0.0073493400000000, 0.0054209000000000 ] - [ -0.0018987300000000, 0.0004352800000000, -0.0004741800000000 ] - [ 0.0009811200000000, 0.0011820100000000, -0.0021715200000000 ] - [ -0.0019380600000000, -0.0004375300000000, 0.0006083300000000 ] - [ 0.0047282600000000, -0.0013404400000000, 0.0004438000000000 ] - [ -0.0017815900000000, 0.0004021000000000, 0.0004563500000000 ] - [ 0.0007922600000000, -0.0001553800000000, 0.0015992800000000 ] - [ -0.0016752200000000, -0.0003213800000000, -0.0004196800000000 ] - [ -0.0017075000000000, 0.0003780500000000, 0.0001201300000000 ] - [ -0.0013416000000000, 0.0004891400000000, -0.0007105500000000 ] - [ 0.0047282600000000, 0.0013404400000000, 0.0004438000000000 ] - [ -0.0017815900000000, -0.0004021000000000, 0.0004563500000000 ] - [ 0.0009811200000000, -0.0011820100000000, -0.0021715200000000 ] - [ -0.0019380600000000, 0.0004375300000000, 0.0006083300000000 ] - [ -0.0012688100000000, 0.0000000000000000, -0.0014044200000000 ] - [ -0.0013883100000000, 0.0000000000000000, 0.0000622300000000 ] - [ -0.0029643000000000, 0.0000000000000000, -0.0014935600000000 ] - [ -0.0014997800000000, 0.0000000000000000, 0.0000707300000000 ] - [ 0.0869601500000000, 0.0000000000000000, -0.0372831000000000 ] - [ -0.0016650600000000, 0.0000000000000000, 0.0001708500000000 ] - [ -0.0045104300000000, 0.0000000000000000, 0.0015593600000000 ] - [ -0.0015499700000000, 0.0000000000000000, 0.0000323400000000 ] - [ -0.0107325000000000, 0.0000000000000000, -0.0018770300000000 ] - [ -0.0018359300000000, 0.0000000000000000, -0.0002746100000000 ] - [ 0.0071021800000000, 0.0000000000000000, 0.0006302100000000 ] - [ -0.0016368400000000, 0.0000000000000000, -0.0001705900000000 ] - [ -0.0017075000000000, -0.0003780500000000, 0.0001201300000000 ] - [ -0.0013416000000000, -0.0004891400000000, -0.0007105500000000 ] - [ 0.0007922600000000, 0.0001553800000000, 0.0015992800000000 ] - [ -0.0016752200000000, 0.0003213800000000, -0.0004196800000000 ] - [ 0.0017218600000000, 0.0032394300000000, -0.0026563300000000 ] - [ -0.0018206900000000, -0.0004323300000000, 0.0004681500000000 ] - [ -0.0021812000000000, 0.0010678200000000, -0.0001908600000000 ] - [ -0.0027640900000000, 0.0005916100000000, 0.0006336000000000 ] - [ -0.0066000700000000, -0.0073493400000000, 0.0054209000000000 ] - [ -0.0018987300000000, -0.0004352800000000, -0.0004741800000000 ] - [ 0.0089075000000000, 0.0019537300000000, -0.0025921800000000 ] - [ -0.0018466300000000, 0.0004112100000000, -0.0004704200000000 ] - [ -0.0021812000000000, -0.0010678200000000, -0.0001908600000000 ] - [ -0.0027640900000000, -0.0005916100000000, 0.0006336000000000 ] - [ 0.0017218600000000, -0.0032394300000000, -0.0026563300000000 ] - [ -0.0018206900000000, 0.0004323300000000, 0.0004681500000000 ] - [ 0.0020601100000000, 0.0000000000000000, 0.0018796800000000 ] - [ -0.0013195600000000, 0.0000000000000000, 0.0000294500000000 ] - [ 0.0021068200000000, 0.0000000000000000, 0.0002347900000000 ] - [ -0.0013074700000000, 0.0000000000000000, 0.0000261800000000 ] - [ -0.0009947900000000, 0.0000000000000000, -0.0000227100000000 ] - [ -0.0009911300000000, 0.0000000000000000, 0.0001403000000000 ] - [ 0.0002868100000000, 0.0000000000000000, -0.0001479300000000 ] - [ -0.0015422600000000, 0.0000000000000000, 0.0001053100000000 ] - [ 0.0032991000000000, 0.0000000000000000, 0.0005735400000000 ] - [ -0.0015203700000000, 0.0000000000000000, -0.0001128800000000 ] - [ -0.0011603300000000, 0.0000000000000000, 0.0000767500000000 ] - [ -0.0011561100000000, 0.0000000000000000, 0.0002766800000000 ] - [ -0.0075243200000000, 0.0030715200000000, -0.0007677500000000 ] - [ 0.0021555300000000, -0.0000642300000000, 0.0000301500000000 ] - [ 0.0007212700000000, -0.0006572100000000, -0.0014714100000000 ] - [ 0.0019575400000000, 0.0000501900000000, 0.0000661700000000 ] - [ -0.0136877400000000, 0.0000000000000000, -0.0148810000000000 ] - [ 0.0017849500000000, 0.0000000000000000, -0.0000896100000000 ] - [ 0.0018461800000000, 0.0000000000000000, -0.0021958200000000 ] - [ 0.0018791200000000, 0.0000000000000000, 0.0003235600000000 ] - [ 0.0007212700000000, 0.0006572100000000, -0.0014714100000000 ] - [ 0.0019575400000000, -0.0000501900000000, 0.0000661700000000 ] - [ -0.0075243200000000, -0.0030715200000000, -0.0007677500000000 ] - [ 0.0021555300000000, 0.0000642300000000, 0.0000301500000000 ] - [ 0.0009499800000000, 0.0000000000000000, 0.0012766000000000 ] - [ 0.0018457300000000, 0.0000000000000000, -0.0002743500000000 ] - [ -0.0065621800000000, 0.0000000000000000, -0.0006102300000000 ] - [ 0.0017771000000000, 0.0000000000000000, 0.0000893600000000 ] - [ -0.0061566800000000, 0.0016115600000000, -0.0001599900000000 ] - [ 0.0038885700000000, -0.0000468300000000, -0.0001180200000000 ] - [ 0.0065068900000000, -0.0029140700000000, 0.0054033000000000 ] - [ 0.0043896100000000, 0.0001783800000000, -0.0002389100000000 ] - [ -0.0584641400000000, 0.0000000000000000, 0.0449557400000000 ] - [ 0.0040876000000000, 0.0000000000000000, 0.0001119800000000 ] - [ -0.0124286600000000, 0.0000000000000000, 0.0004293700000000 ] - [ 0.0040042000000000, 0.0000000000000000, -0.0000905400000000 ] - [ 0.0065068900000000, 0.0029140700000000, 0.0054033000000000 ] - [ 0.0043896100000000, -0.0001783800000000, -0.0002389100000000 ] - [ -0.0061566800000000, -0.0016115600000000, -0.0001599900000000 ] - [ 0.0038885700000000, 0.0000468300000000, -0.0001180200000000 ] - [ 0.0025123300000000, 0.0000000000000000, -0.0029753200000000 ] - [ 0.0036411900000000, 0.0000000000000000, 0.0003867000000000 ] - [ 0.0043699200000000, 0.0000000000000000, 0.0056108500000000 ] - [ 0.0046451700000000, 0.0000000000000000, -0.0007655800000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0043383600000000, 0.0054000600000000, 0.0165851900000000 ] - [ -0.0000156800000000, -0.0000008500000000, -0.0000085400000000 ] - [ -0.0081315800000000, 0.0026392800000000, 0.0035567700000000 ] - [ 0.0000298500000000, -0.0000023200000000, 0.0000134600000000 ] - [ -0.0016324400000000, -0.0004591600000000, -0.0004762300000000 ] - [ 0.0001472100000000, 0.0000011500000000, -0.0001075000000000 ] - [ -0.0001476400000000, 0.0026568100000000, -0.0012645000000000 ] - [ 0.0000012400000000, -0.0000030600000000, 0.0000063400000000 ] - [ 0.0008861700000000, 0.0003918700000000, -0.0005450000000000 ] - [ -0.0000461500000000, 0.0000027400000000, -0.0000141100000000 ] - [ 0.0000137400000000, 0.0000641800000000, 0.0001117700000000 ] - [ -0.0004281500000000, 0.0000548700000000, -0.0000007700000000 ] - [ 0.0001395700000000, 0.0026665700000000, 0.0012579100000000 ] - [ 0.0000181500000000, 0.0000073300000000, 0.0000014300000000 ] - [ 0.0016131100000000, -0.0004514500000000, 0.0004739700000000 ] - [ -0.0001504300000000, 0.0000081200000000, 0.0000947600000000 ] - [ 0.0000031100000000, 0.0028014500000000, 0.0000104400000000 ] - [ 0.0000032600000000, 0.0000802000000000, 0.0000054900000000 ] - [ 0.0000082900000000, -0.0019321000000000, -0.0000009700000000 ] - [ 0.0000028600000000, -0.0000688200000000, -0.0000043500000000 ] - [ -0.0005710500000000, -0.0611942600000000, 0.0000699300000000 ] - [ -0.0000097900000000, -0.0000079400000000, 0.0000133100000000 ] - [ 0.0000332700000000, 0.0052282500000000, -0.0000184400000000 ] - [ 0.0000163400000000, 0.0001039600000000, -0.0000132200000000 ] - [ 0.0000124800000000, -0.0030480100000000, 0.0000224900000000 ] - [ 0.0000171500000000, -0.0001761300000000, 0.0000138200000000 ] - [ -0.0000302900000000, 0.0085026700000000, -0.0000201600000000 ] - [ -0.0000098400000000, 0.0000047500000000, -0.0000129600000000 ] - [ 0.0000082400000000, 0.0000777400000000, -0.0001223700000000 ] - [ 0.0004430800000000, 0.0000653100000000, -0.0000062600000000 ] - [ -0.0009006300000000, 0.0004026400000000, 0.0005395200000000 ] - [ 0.0000409500000000, 0.0000104600000000, 0.0000265300000000 ] - [ -0.0020134300000000, 0.0019241400000000, -0.0016624100000000 ] - [ 0.0000094100000000, -0.0000025900000000, -0.0000118700000000 ] - [ -0.0001326500000000, -0.0000300900000000, 0.0001662900000000 ] - [ 0.0012718400000000, -0.0002872300000000, -0.0000132900000000 ] - [ 0.0080888500000000, 0.0026534500000000, -0.0035155900000000 ] - [ -0.0000338200000000, -0.0000094400000000, -0.0000004400000000 ] - [ -0.0043268000000000, 0.0054073600000000, -0.0164995300000000 ] - [ 0.0000356900000000, -0.0000114400000000, -0.0000003100000000 ] - [ 0.0001509500000000, -0.0000206500000000, -0.0001549100000000 ] - [ -0.0012495000000000, -0.0002762400000000, 0.0000204200000000 ] - [ 0.0019730200000000, 0.0019453000000000, 0.0016487000000000 ] - [ -0.0000129300000000, 0.0000044000000000, -0.0000003600000000 ] - [ -0.0000048100000000, -0.0034900500000000, -0.0000006600000000 ] - [ 0.0000031300000000, -0.0000584100000000, 0.0000048500000000 ] - [ -0.0000083000000000, 0.0050734400000000, -0.0000102800000000 ] - [ 0.0000030200000000, 0.0000713500000000, -0.0000049100000000 ] - [ -0.0000108600000000, 0.0002539000000000, 0.0000135200000000 ] - [ -0.0000109500000000, 0.0002538500000000, 0.0000123900000000 ] - [ 0.0000237200000000, -0.0016919400000000, -0.0000094700000000 ] - [ 0.0000165500000000, -0.0000057400000000, -0.0000134600000000 ] - [ 0.0000071900000000, 0.0017345400000000, 0.0000092200000000 ] - [ 0.0000165700000000, 0.0000024500000000, 0.0000131900000000 ] - [ -0.0000116800000000, -0.0003107500000000, -0.0000132200000000 ] - [ -0.0000102800000000, -0.0003108400000000, -0.0000142300000000 ] - [ -0.0008303900000000, 0.0048669500000000, 0.0010666900000000 ] - [ 0.0000200100000000, -0.0000003100000000, 0.0000104000000000 ] - [ 0.0008060400000000, -0.0000145300000000, -0.0006710600000000 ] - [ -0.0000473700000000, -0.0000001900000000, -0.0000139100000000 ] - [ 0.0000366100000000, 0.0049618400000000, 0.0000540600000000 ] - [ -0.0000035000000000, 0.0000063200000000, 0.0000001800000000 ] - [ -0.0000038600000000, 0.0005236700000000, 0.0000029000000000 ] - [ -0.0000043100000000, 0.0001414600000000, -0.0000007200000000 ] - [ -0.0008117700000000, -0.0000210300000000, 0.0006803400000000 ] - [ 0.0000398300000000, -0.0000004300000000, 0.0000144100000000 ] - [ 0.0012382900000000, 0.0044783100000000, -0.0011195500000000 ] - [ -0.0000288500000000, -0.0000007600000000, -0.0000104500000000 ] - [ -0.0000036100000000, -0.0006985600000000, -0.0000060800000000 ] - [ -0.0000039600000000, -0.0003197600000000, 0.0000006300000000 ] - [ 0.0000158200000000, -0.0063128300000000, -0.0000156700000000 ] - [ -0.0000036500000000, -0.0000151600000000, -0.0000002500000000 ] - [ -0.0061265300000000, -0.0002885600000000, -0.0026322900000000 ] - [ 0.0000528100000000, -0.0000103300000000, -0.0000412300000000 ] - [ 0.0052121800000000, -0.0007590900000000, 0.0024476400000000 ] - [ -0.0000676600000000, -0.0000164400000000, 0.0000519300000000 ] - [ 0.0001203900000000, 0.0253081600000000, -0.0001899400000000 ] - [ -0.0000083800000000, 0.0000571300000000, -0.0000002300000000 ] - [ 0.0000325100000000, -0.0089302400000000, 0.0000260800000000 ] - [ -0.0000084400000000, -0.0000222900000000, 0.0000004500000000 ] - [ -0.0052325000000000, -0.0007756300000000, -0.0024838600000000 ] - [ 0.0000493700000000, -0.0000174100000000, -0.0000537700000000 ] - [ 0.0061832100000000, -0.0002892200000000, 0.0026821900000000 ] - [ -0.0000688500000000, -0.0000107900000000, 0.0000420700000000 ] - [ -0.0000111700000000, -0.0011906500000000, 0.0000123300000000 ] - [ -0.0000070300000000, -0.0004513500000000, -0.0000005500000000 ] - [ -0.0000016600000000, 0.0020457700000000, -0.0000057200000000 ] - [ -0.0000102600000000, 0.0011109000000000, 0.0000015700000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0067047100000000, 0.0137931500000000, 0.0210978100000000 ] - [ -0.0001881400000000, -0.0000325500000000, -0.0000478900000000 ] - [ -0.0064505100000000, 0.0031685100000000, -0.0014865100000000 ] - [ -0.0001538000000000, 0.0000492500000000, -0.0000464700000000 ] - [ 0.0023946100000000, 0.0009324600000000, -0.0006003600000000 ] - [ -0.0003353900000000, -0.0000721000000000, 0.0001935200000000 ] - [ -0.0019636700000000, -0.0042743200000000, 0.0071282500000000 ] - [ -0.0001414800000000, 0.0000321700000000, 0.0000539200000000 ] - [ -0.0004648000000000, -0.0004303500000000, 0.0010534300000000 ] - [ -0.0000194800000000, 0.0000027100000000, 0.0000520300000000 ] - [ -0.0004295300000000, 0.0001748600000000, -0.0000058100000000 ] - [ 0.0005410000000000, -0.0002085100000000, -0.0002048000000000 ] - [ -0.0019636700000000, 0.0042743200000000, 0.0071282500000000 ] - [ -0.0001414800000000, -0.0000321700000000, 0.0000539200000000 ] - [ 0.0023946100000000, -0.0009324600000000, -0.0006003600000000 ] - [ -0.0003353900000000, 0.0000721000000000, 0.0001935200000000 ] - [ -0.0006384600000000, 0.0000000000000000, -0.0020736800000000 ] - [ -0.0001449100000000, 0.0000000000000000, -0.0000474300000000 ] - [ 0.0017315100000000, 0.0000000000000000, -0.0019939600000000 ] - [ -0.0001788200000000, 0.0000000000000000, -0.0000645100000000 ] - [ 0.0389907000000000, 0.0000000000000000, -0.1980792900000000 ] - [ -0.0001723600000000, 0.0000000000000000, 0.0000182400000000 ] - [ -0.0015874300000000, 0.0000000000000000, 0.0004930900000000 ] - [ -0.0000342500000000, 0.0000000000000000, -0.0001768400000000 ] - [ -0.0019155800000000, 0.0000000000000000, -0.0031777500000000 ] - [ -0.0002741400000000, 0.0000000000000000, -0.0002496200000000 ] - [ 0.0006400600000000, 0.0000000000000000, -0.0023624300000000 ] - [ -0.0001721600000000, 0.0000000000000000, -0.0000441200000000 ] - [ -0.0004295300000000, -0.0001748600000000, -0.0000058100000000 ] - [ 0.0005410000000000, 0.0002085100000000, -0.0002048000000000 ] - [ -0.0004648000000000, 0.0004303500000000, 0.0010534300000000 ] - [ -0.0000194800000000, -0.0000027100000000, 0.0000520300000000 ] - [ 0.0029556500000000, -0.0025593500000000, -0.0009288500000000 ] - [ -0.0002244300000000, -0.0000512500000000, 0.0000485200000000 ] - [ -0.0000431100000000, 0.0002009500000000, -0.0003852200000000 ] - [ -0.0013380800000000, 0.0005386100000000, 0.0000114500000000 ] - [ -0.0064505100000000, -0.0031685100000000, -0.0014865100000000 ] - [ -0.0001538000000000, -0.0000492500000000, -0.0000464700000000 ] - [ 0.0067047100000000, -0.0137931500000000, 0.0210978100000000 ] - [ -0.0001881400000000, 0.0000325500000000, -0.0000478900000000 ] - [ -0.0000431100000000, -0.0002009500000000, -0.0003852200000000 ] - [ -0.0013380800000000, -0.0005386100000000, 0.0000114500000000 ] - [ 0.0029556500000000, 0.0025593500000000, -0.0009288500000000 ] - [ -0.0002244300000000, 0.0000512500000000, 0.0000485200000000 ] - [ -0.0010561700000000, 0.0000000000000000, 0.0061665800000000 ] - [ -0.0001041500000000, 0.0000000000000000, 0.0000550600000000 ] - [ 0.0024892400000000, 0.0000000000000000, 0.0030451100000000 ] - [ -0.0001221500000000, 0.0000000000000000, 0.0000395000000000 ] - [ -0.0001388100000000, 0.0000000000000000, 0.0003001000000000 ] - [ 0.0000201700000000, 0.0000000000000000, 0.0003003400000000 ] - [ 0.0001472100000000, 0.0000000000000000, 0.0144144600000000 ] - [ -0.0001044100000000, 0.0000000000000000, 0.0000013500000000 ] - [ 0.0005676700000000, 0.0000000000000000, 0.0028611600000000 ] - [ -0.0001136900000000, 0.0000000000000000, 0.0000243500000000 ] - [ 0.0002752800000000, 0.0000000000000000, 0.0004230800000000 ] - [ 0.0000729600000000, 0.0000000000000000, 0.0004213500000000 ] - [ 0.0018319100000000, 0.0027787400000000, 0.0068448800000000 ] - [ 0.0002072900000000, -0.0000625400000000, 0.0000417200000000 ] - [ -0.0003155500000000, 0.0002105700000000, -0.0017856200000000 ] - [ 0.0001249600000000, -0.0000946500000000, -0.0000478700000000 ] - [ 0.0101498300000000, 0.0000000000000000, 0.0255062900000000 ] - [ 0.0001697800000000, 0.0000000000000000, -0.0000178000000000 ] - [ 0.0009746700000000, 0.0000000000000000, -0.0005114100000000 ] - [ -0.0001802200000000, 0.0000000000000000, -0.0000785200000000 ] - [ -0.0003155500000000, -0.0002105700000000, -0.0017856200000000 ] - [ 0.0001249600000000, 0.0000946500000000, -0.0000478700000000 ] - [ 0.0018319100000000, -0.0027787400000000, 0.0068448800000000 ] - [ 0.0002072900000000, 0.0000625400000000, 0.0000417200000000 ] - [ -0.0004713200000000, 0.0000000000000000, 0.0007727000000000 ] - [ 0.0003553600000000, 0.0000000000000000, -0.0001476900000000 ] - [ 0.0010024000000000, 0.0000000000000000, 0.0014681700000000 ] - [ 0.0001693200000000, 0.0000000000000000, 0.0000161700000000 ] - [ -0.0060322000000000, 0.0016702500000000, -0.0128292100000000 ] - [ 0.0003476100000000, -0.0000423500000000, -0.0001717800000000 ] - [ 0.0003032800000000, 0.0008234700000000, 0.0074181500000000 ] - [ 0.0005276600000000, -0.0000498800000000, 0.0002017700000000 ] - [ -0.0452399900000000, 0.0000000000000000, 0.1024500900000000 ] - [ 0.0003771200000000, 0.0000000000000000, 0.0000299200000000 ] - [ -0.0017350400000000, 0.0000000000000000, -0.0014558700000000 ] - [ 0.0003887700000000, 0.0000000000000000, -0.0000278100000000 ] - [ 0.0003032800000000, -0.0008234700000000, 0.0074181500000000 ] - [ 0.0005276600000000, 0.0000498800000000, 0.0002017700000000 ] - [ -0.0060322000000000, -0.0016702500000000, -0.0128292100000000 ] - [ 0.0003476100000000, 0.0000423500000000, -0.0001717800000000 ] - [ 0.0009585000000000, 0.0000000000000000, -0.0010796900000000 ] - [ -0.0001887100000000, 0.0000000000000000, -0.0000184900000000 ] - [ -0.0015198200000000, 0.0000000000000000, 0.0019653500000000 ] - [ 0.0009350400000000, 0.0000000000000000, -0.0003756400000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0065874100000000, -0.0134677500000000, -0.0208562500000000 ] - [ 0.0001975100000000, 0.0000405700000000, 0.0000360300000000 ] - [ 0.0064200100000000, -0.0031236400000000, 0.0014170300000000 ] - [ 0.0001395800000000, -0.0000404400000000, 0.0000580800000000 ] - [ -0.0023805800000000, -0.0009297800000000, 0.0005590100000000 ] - [ 0.0003222300000000, 0.0000626400000000, -0.0002043300000000 ] - [ 0.0019806300000000, 0.0043170500000000, -0.0071038000000000 ] - [ 0.0001507500000000, -0.0000392900000000, -0.0000414900000000 ] - [ 0.0004715600000000, 0.0004280800000000, -0.0010201800000000 ] - [ 0.0000053400000000, -0.0000115300000000, -0.0000399000000000 ] - [ 0.0004365600000000, -0.0001803300000000, 0.0000002700000000 ] - [ -0.0005317800000000, 0.0002003600000000, 0.0001945000000000 ] - [ 0.0019806300000000, -0.0043170500000000, -0.0071038000000000 ] - [ 0.0001507500000000, 0.0000392900000000, -0.0000414900000000 ] - [ -0.0023805800000000, 0.0009297800000000, 0.0005590100000000 ] - [ 0.0003222300000000, -0.0000626400000000, -0.0002043300000000 ] - [ 0.0006374200000000, 0.0000000000000000, 0.0020907100000000 ] - [ 0.0001421900000000, 0.0000000000000000, 0.0000576500000000 ] - [ -0.0017252800000000, 0.0000000000000000, 0.0020012500000000 ] - [ 0.0001754300000000, 0.0000000000000000, 0.0000566900000000 ] - [ -0.0341012100000000, 0.0000000000000000, 0.1933483600000000 ] - [ 0.0001429100000000, 0.0000000000000000, 0.0000112600000000 ] - [ 0.0015668200000000, 0.0000000000000000, -0.0005065500000000 ] - [ 0.0000592000000000, 0.0000000000000000, 0.0001515900000000 ] - [ 0.0018687600000000, 0.0000000000000000, 0.0031989000000000 ] - [ 0.0003004700000000, 0.0000000000000000, 0.0002771300000000 ] - [ -0.0006405200000000, 0.0000000000000000, 0.0023648400000000 ] - [ 0.0001428700000000, 0.0000000000000000, 0.0000180600000000 ] - [ 0.0004365600000000, 0.0001803300000000, 0.0000002700000000 ] - [ -0.0005317800000000, -0.0002003600000000, 0.0001945000000000 ] - [ 0.0004715600000000, -0.0004280800000000, -0.0010201800000000 ] - [ 0.0000053400000000, 0.0000115300000000, -0.0000399000000000 ] - [ -0.0029683500000000, 0.0025648700000000, 0.0009477200000000 ] - [ 0.0002106200000000, 0.0000428100000000, -0.0000581700000000 ] - [ 0.0000499100000000, -0.0002049600000000, 0.0003909300000000 ] - [ 0.0013518500000000, -0.0005477200000000, 0.0000003200000000 ] - [ 0.0064200100000000, 0.0031236400000000, 0.0014170300000000 ] - [ 0.0001395800000000, 0.0000404400000000, 0.0000580800000000 ] - [ -0.0065874100000000, 0.0134677500000000, -0.0208562500000000 ] - [ 0.0001975100000000, -0.0000405700000000, 0.0000360300000000 ] - [ 0.0000499100000000, 0.0002049600000000, 0.0003909300000000 ] - [ 0.0013518500000000, 0.0005477200000000, 0.0000003200000000 ] - [ -0.0029683500000000, -0.0025648700000000, 0.0009477200000000 ] - [ 0.0002106200000000, -0.0000428100000000, -0.0000581700000000 ] - [ 0.0010987000000000, 0.0000000000000000, -0.0061791800000000 ] - [ 0.0001032100000000, 0.0000000000000000, -0.0000448000000000 ] - [ -0.0024490900000000, 0.0000000000000000, -0.0030575900000000 ] - [ 0.0001209500000000, 0.0000000000000000, -0.0000487500000000 ] - [ 0.0001147100000000, 0.0000000000000000, -0.0002741000000000 ] - [ -0.0000531700000000, 0.0000000000000000, -0.0002731900000000 ] - [ -0.0001444000000000, 0.0000000000000000, -0.0145772300000000 ] - [ 0.0001305200000000, 0.0000000000000000, -0.0000295300000000 ] - [ -0.0005546500000000, 0.0000000000000000, -0.0028402500000000 ] - [ 0.0001386000000000, 0.0000000000000000, 0.0000004900000000 ] - [ -0.0003000700000000, 0.0000000000000000, -0.0004488700000000 ] - [ -0.0001089700000000, 0.0000000000000000, -0.0004511100000000 ] - [ -0.0018196700000000, -0.0027503000000000, -0.0068713000000000 ] - [ -0.0002039100000000, 0.0000630200000000, -0.0000413900000000 ] - [ 0.0003342900000000, -0.0002249900000000, 0.0017955000000000 ] - [ -0.0001225600000000, 0.0000948100000000, 0.0000481400000000 ] - [ -0.0111011900000000, 0.0000000000000000, -0.0272374200000000 ] - [ -0.0001667400000000, 0.0000000000000000, 0.0000177800000000 ] - [ -0.0009814100000000, 0.0000000000000000, 0.0004924400000000 ] - [ 0.0001830800000000, 0.0000000000000000, 0.0000763600000000 ] - [ 0.0003342900000000, 0.0002249900000000, 0.0017955000000000 ] - [ -0.0001225600000000, -0.0000948100000000, 0.0000481400000000 ] - [ -0.0018196700000000, 0.0027503000000000, -0.0068713000000000 ] - [ -0.0002039100000000, -0.0000630200000000, -0.0000413900000000 ] - [ 0.0004690500000000, 0.0000000000000000, -0.0007552800000000 ] - [ -0.0003534000000000, 0.0000000000000000, 0.0001496700000000 ] - [ -0.0009898400000000, 0.0000000000000000, -0.0014265800000000 ] - [ -0.0001664800000000, 0.0000000000000000, -0.0000151100000000 ] - [ 0.0059522200000000, -0.0016749500000000, 0.0128181900000000 ] - [ -0.0003409200000000, 0.0000427900000000, 0.0001725300000000 ] - [ -0.0003262100000000, -0.0008077100000000, -0.0074394600000000 ] - [ -0.0005168100000000, 0.0000503800000000, -0.0002010900000000 ] - [ 0.0411696200000000, 0.0000000000000000, -0.0961757400000000 ] - [ -0.0003711900000000, 0.0000000000000000, -0.0000286800000000 ] - [ 0.0017448700000000, 0.0000000000000000, 0.0013835500000000 ] - [ -0.0003820900000000, 0.0000000000000000, 0.0000277600000000 ] - [ -0.0003262100000000, 0.0008077100000000, -0.0074394600000000 ] - [ -0.0005168100000000, -0.0000503800000000, -0.0002010900000000 ] - [ 0.0059522200000000, 0.0016749500000000, 0.0128181900000000 ] - [ -0.0003409200000000, -0.0000427900000000, 0.0001725300000000 ] - [ -0.0009601300000000, 0.0000000000000000, 0.0010394800000000 ] - [ 0.0001954900000000, 0.0000000000000000, 0.0000156100000000 ] - [ 0.0015252500000000, 0.0000000000000000, -0.0019141400000000 ] - [ -0.0009300400000000, 0.0000000000000000, 0.0003827700000000 ]- atom: 57 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0075397100000000, 0.0000665100000000, 0.0069933700000000 ] - [ -0.0024179600000000, -0.0005341500000000, -0.0006352500000000 ] - [ -0.0033426500000000, 0.0004261900000000, 0.0009157200000000 ] - [ -0.0026755900000000, 0.0005932400000000, -0.0006629800000000 ] - [ 0.0059267100000000, 0.0028416000000000, -0.0036515400000000 ] - [ -0.0023812200000000, -0.0005395900000000, 0.0005996400000000 ] - [ 0.0075397100000000, -0.0000665100000000, -0.0069933700000000 ] - [ -0.0024179600000000, 0.0005341500000000, 0.0006352500000000 ] - [ 0.0076341300000000, 0.0000815500000000, 0.0069569200000000 ] - [ -0.0024283900000000, -0.0005411200000000, -0.0006241500000000 ] - [ -0.0033468800000000, 0.0004073100000000, 0.0009242400000000 ] - [ -0.0026611900000000, 0.0005852800000000, -0.0006723000000000 ] - [ 0.0059275800000000, 0.0028466200000000, -0.0036320400000000 ] - [ -0.0023705100000000, -0.0005326900000000, 0.0006090900000000 ] - [ 0.0076341300000000, -0.0000815500000000, -0.0069569200000000 ] - [ -0.0024283900000000, 0.0005411200000000, 0.0006241500000000 ] - [ -0.0019631800000000, 0.0004603300000000, 0.0000545600000000 ] - [ -0.0019640300000000, -0.0004678700000000, -0.0000484400000000 ] - [ -0.0019631800000000, -0.0004603300000000, -0.0000545600000000 ] - [ -0.0019640300000000, 0.0004678700000000, 0.0000484400000000 ] - [ 0.0074994200000000, -0.0012018400000000, 0.0018607400000000 ] - [ -0.0021702500000000, 0.0000246300000000, 0.0002207700000000 ] - [ 0.0078527800000000, -0.0008678000000000, 0.0017917700000000 ] - [ -0.0021411100000000, 0.0000242300000000, 0.0001897600000000 ] - [ 0.0078527800000000, 0.0008678000000000, -0.0017917700000000 ] - [ -0.0021411100000000, -0.0000242300000000, -0.0001897600000000 ] - [ 0.0074994200000000, 0.0012018400000000, -0.0018607400000000 ] - [ -0.0021702500000000, -0.0000246300000000, -0.0002207700000000 ] - [ -0.0020517600000000, -0.0009726900000000, 0.0006730100000000 ] - [ -0.0023269700000000, -0.0005440900000000, -0.0006474900000000 ] - [ 0.0059267100000000, -0.0028416000000000, 0.0036515400000000 ] - [ -0.0023812200000000, 0.0005395900000000, -0.0005996400000000 ] - [ -0.0033426500000000, -0.0004261900000000, -0.0009157200000000 ] - [ -0.0026755900000000, -0.0005932400000000, 0.0006629800000000 ] - [ -0.0020517600000000, 0.0009726900000000, -0.0006730100000000 ] - [ -0.0023269700000000, 0.0005440900000000, 0.0006474900000000 ] - [ -0.0020777500000000, -0.0009845200000000, 0.0006853000000000 ] - [ -0.0023357800000000, -0.0005506500000000, -0.0006366900000000 ] - [ 0.0059275800000000, -0.0028466200000000, 0.0036320400000000 ] - [ -0.0023705100000000, 0.0005326900000000, -0.0006090900000000 ] - [ -0.0033468800000000, -0.0004073100000000, -0.0009242400000000 ] - [ -0.0026611900000000, -0.0005852800000000, 0.0006723000000000 ] - [ -0.0020777500000000, 0.0009845200000000, -0.0006853000000000 ] - [ -0.0023357800000000, 0.0005506500000000, 0.0006366900000000 ] - [ 0.0075855000000000, -0.0000041900000000, -0.0000019600000000 ] - [ -0.0017390300000000, 0.0000002200000000, 0.0000028500000000 ] - [ 0.0075855000000000, 0.0000041900000000, 0.0000019600000000 ] - [ -0.0017390300000000, -0.0000002200000000, -0.0000028500000000 ] - [ -0.0007324000000000, -0.0008092000000000, -0.0003141600000000 ] - [ -0.0019721500000000, 0.0000429700000000, 0.0001390900000000 ] - [ -0.0007167400000000, -0.0008086200000000, -0.0003379700000000 ] - [ -0.0019424500000000, 0.0000442300000000, 0.0001089300000000 ] - [ -0.0007167400000000, 0.0008086200000000, 0.0003379700000000 ] - [ -0.0019424500000000, -0.0000442300000000, -0.0001089300000000 ] - [ -0.0007324000000000, 0.0008092000000000, 0.0003141600000000 ] - [ -0.0019721500000000, -0.0000429700000000, -0.0001390900000000 ] - [ -0.0597972600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0028249000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0025794000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0025779900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0032273500000000, 0.0046728500000000, 0.0065585500000000 ] - [ 0.0023561600000000, -0.0000432400000000, -0.0001538400000000 ] - [ 0.0032407000000000, -0.0047251600000000, -0.0066130200000000 ] - [ 0.0023558600000000, 0.0000423800000000, 0.0001533800000000 ] - [ 0.0021825500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0021772800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0164920700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0028049000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0032407000000000, 0.0047251600000000, 0.0066130200000000 ] - [ 0.0023558600000000, -0.0000423800000000, -0.0001533800000000 ] - [ 0.0032273500000000, -0.0046728500000000, -0.0065585500000000 ] - [ 0.0023561600000000, 0.0000432400000000, 0.0001538400000000 ] - [ -0.0318402500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0051871100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0074302200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0074607500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0053606500000000, 0.0078362500000000, -0.0110548800000000 ] - [ 0.0053570300000000, -0.0001473000000000, 0.0002193600000000 ] - [ 0.0053606500000000, -0.0078362500000000, 0.0110548800000000 ] - [ 0.0053570300000000, 0.0001473000000000, -0.0002193600000000 ] - [ 0.0053761300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0053648500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0166077600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0051384700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0053543200000000, 0.0079052100000000, -0.0111243900000000 ] - [ 0.0053564800000000, -0.0001446000000000, 0.0002181800000000 ] - [ 0.0053543200000000, -0.0079052100000000, 0.0111243900000000 ] - [ 0.0053564800000000, 0.0001446000000000, -0.0002181800000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001336900000000, 0.0062335000000000, 0.0037816000000000 ] - [ 0.0000605000000000, 0.0000333600000000, 0.0000399800000000 ] - [ -0.0022993400000000, 0.0029132100000000, -0.0000859000000000 ] - [ 0.0003429100000000, -0.0000200700000000, 0.0000058600000000 ] - [ -0.0007524300000000, -0.0039137300000000, 0.0025064100000000 ] - [ -0.0000579900000000, -0.0000330400000000, 0.0000390800000000 ] - [ 0.0001150400000000, 0.0062752500000000, 0.0037773100000000 ] - [ -0.0000493800000000, 0.0000295600000000, 0.0000515300000000 ] - [ -0.0001150400000000, 0.0062752500000000, 0.0037773100000000 ] - [ 0.0000493800000000, 0.0000295600000000, 0.0000515300000000 ] - [ -0.0022899400000000, 0.0029155400000000, -0.0000877100000000 ] - [ 0.0003538800000000, -0.0000248300000000, -0.0000031400000000 ] - [ -0.0007305400000000, -0.0039072200000000, 0.0025334600000000 ] - [ -0.0000470600000000, -0.0000293100000000, 0.0000491800000000 ] - [ 0.0001336900000000, 0.0062335000000000, 0.0037816000000000 ] - [ -0.0000605000000000, 0.0000333600000000, 0.0000399800000000 ] - [ 0.0003836200000000, 0.0000042300000000, -0.0005720600000000 ] - [ -0.0003836200000000, 0.0000042300000000, -0.0005720600000000 ] - [ -0.0003821900000000, 0.0000029500000000, -0.0005808500000000 ] - [ 0.0003821900000000, 0.0000029500000000, -0.0005808500000000 ] - [ -0.0030824200000000, 0.0044411900000000, 0.0028013900000000 ] - [ 0.0000495700000000, -0.0000007000000000, -0.0000468700000000 ] - [ -0.0027086000000000, 0.0049050200000000, 0.0027270400000000 ] - [ 0.0000787300000000, -0.0000006000000000, -0.0000788400000000 ] - [ 0.0030824200000000, 0.0044411900000000, 0.0028013900000000 ] - [ -0.0000495700000000, -0.0000007000000000, -0.0000468700000000 ] - [ 0.0027086000000000, 0.0049050200000000, 0.0027270400000000 ] - [ -0.0000787300000000, -0.0000006000000000, -0.0000788400000000 ] - [ -0.0022630000000000, -0.0029251700000000, 0.0000193700000000 ] - [ 0.0003328700000000, 0.0000200400000000, -0.0000091200000000 ] - [ 0.0007305400000000, -0.0039072200000000, 0.0025334600000000 ] - [ 0.0000470600000000, -0.0000293100000000, 0.0000491800000000 ] - [ 0.0022899400000000, 0.0029155400000000, -0.0000877100000000 ] - [ -0.0003538800000000, -0.0000248300000000, -0.0000031400000000 ] - [ 0.0022763800000000, -0.0029330000000000, 0.0000337700000000 ] - [ -0.0003208400000000, 0.0000158200000000, 0.0000011900000000 ] - [ -0.0022763800000000, -0.0029330000000000, 0.0000337700000000 ] - [ 0.0003208400000000, 0.0000158200000000, 0.0000011900000000 ] - [ 0.0007524300000000, -0.0039137300000000, 0.0025064100000000 ] - [ 0.0000579900000000, -0.0000330400000000, 0.0000390800000000 ] - [ 0.0022993400000000, 0.0029132100000000, -0.0000859000000000 ] - [ -0.0003429100000000, -0.0000200700000000, 0.0000058600000000 ] - [ 0.0022630000000000, -0.0029251700000000, 0.0000193700000000 ] - [ -0.0003328700000000, 0.0000200400000000, -0.0000091200000000 ] - [ 0.0000000000000000, -0.0008793800000000, -0.0024754400000000 ] - [ 0.0000000000000000, 0.0000004000000000, 0.0000338100000000 ] - [ 0.0000000000000000, -0.0008381800000000, -0.0025150600000000 ] - [ 0.0000000000000000, 0.0000004900000000, 0.0000261400000000 ] - [ -0.0006694600000000, -0.0000128200000000, -0.0002055200000000 ] - [ 0.0000356100000000, -0.0000010200000000, 0.0001112500000000 ] - [ -0.0006456900000000, -0.0000221200000000, -0.0002309000000000 ] - [ 0.0000657800000000, -0.0000008500000000, 0.0000781000000000 ] - [ 0.0006694600000000, -0.0000128200000000, -0.0002055200000000 ] - [ -0.0000356100000000, -0.0000010200000000, 0.0001112500000000 ] - [ 0.0006456900000000, -0.0000221200000000, -0.0002309000000000 ] - [ -0.0000657800000000, -0.0000008500000000, 0.0000781000000000 ] - [ 0.0000000000000000, -0.0649241700000000, -0.0010590400000000 ] - [ 0.0000000000000000, -0.0000661600000000, 0.0000330200000000 ] - [ 0.0000015500000000, -0.0005034800000000, -0.0006167800000000 ] - [ -0.0000015500000000, -0.0005034800000000, -0.0006167800000000 ] - [ 0.0053945000000000, 0.0012145400000000, 0.0058428500000000 ] - [ -0.0000129100000000, -0.0000022900000000, 0.0000075600000000 ] - [ -0.0053945000000000, 0.0012145400000000, 0.0058428500000000 ] - [ 0.0000129100000000, -0.0000022900000000, 0.0000075600000000 ] - [ 0.0000002300000000, 0.0005065900000000, -0.0005878900000000 ] - [ -0.0000002300000000, 0.0005065900000000, -0.0005878900000000 ] - [ 0.0000000000000000, 0.0277346600000000, 0.0015777400000000 ] - [ 0.0000000000000000, 0.0000651100000000, 0.0000321800000000 ] - [ 0.0054164800000000, 0.0011885500000000, 0.0058682100000000 ] - [ -0.0000132700000000, -0.0000022800000000, 0.0000077400000000 ] - [ -0.0054164800000000, 0.0011885500000000, 0.0058682100000000 ] - [ 0.0000132700000000, -0.0000022800000000, 0.0000077400000000 ] - [ 0.0000000000000000, -0.0084858400000000, -0.0058801800000000 ] - [ 0.0000000000000000, -0.0000527600000000, -0.0001322200000000 ] - [ -0.0000009200000000, -0.0013681800000000, 0.0023736000000000 ] - [ 0.0000009200000000, -0.0013681800000000, 0.0023736000000000 ] - [ 0.0093092900000000, 0.0019977300000000, -0.0121034500000000 ] - [ -0.0002274600000000, 0.0000089900000000, -0.0000719900000000 ] - [ -0.0093414000000000, 0.0019495900000000, -0.0121614900000000 ] - [ 0.0002276900000000, 0.0000086000000000, -0.0000728300000000 ] - [ -0.0000015900000000, 0.0013390700000000, 0.0022687800000000 ] - [ 0.0000015900000000, 0.0013390700000000, 0.0022687800000000 ] - [ 0.0000000000000000, 0.0067909800000000, -0.0043327600000000 ] - [ 0.0000000000000000, 0.0000496500000000, -0.0001280400000000 ] - [ 0.0093414000000000, 0.0019495900000000, -0.0121614900000000 ] - [ -0.0002276900000000, 0.0000086000000000, -0.0000728300000000 ] - [ -0.0093092900000000, 0.0019977300000000, -0.0121034500000000 ] - [ 0.0002274600000000, 0.0000089900000000, -0.0000719900000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0046636800000000, 0.0019868400000000, -0.0067782100000000 ] - [ -0.0000496500000000, -0.0000212200000000, -0.0000468200000000 ] - [ 0.0018986300000000, -0.0003317200000000, 0.0011797300000000 ] - [ -0.0003726500000000, 0.0000368100000000, -0.0000239300000000 ] - [ -0.0000893500000000, 0.0007637900000000, -0.0007425300000000 ] - [ 0.0000176100000000, 0.0000183600000000, -0.0000183200000000 ] - [ -0.0046948400000000, 0.0019956700000000, -0.0069889400000000 ] - [ 0.0000601900000000, -0.0000261600000000, -0.0000350300000000 ] - [ 0.0046948400000000, 0.0019956700000000, -0.0069889400000000 ] - [ -0.0000601900000000, -0.0000261600000000, -0.0000350300000000 ] - [ 0.0019090500000000, -0.0003423100000000, 0.0011527400000000 ] - [ -0.0003621900000000, 0.0000313800000000, -0.0000349100000000 ] - [ -0.0000587200000000, 0.0007717400000000, -0.0007597000000000 ] - [ 0.0000287600000000, 0.0000231800000000, -0.0000087600000000 ] - [ -0.0046636800000000, 0.0019868400000000, -0.0067782100000000 ] - [ 0.0000496500000000, -0.0000212200000000, -0.0000468200000000 ] - [ 0.0000358800000000, -0.0001040900000000, 0.0003533900000000 ] - [ -0.0000358800000000, -0.0001040900000000, 0.0003533900000000 ] - [ -0.0000379000000000, -0.0001025100000000, 0.0003442500000000 ] - [ 0.0000379000000000, -0.0001025100000000, 0.0003442500000000 ] - [ 0.0007360900000000, 0.0011142600000000, 0.0068896500000000 ] - [ -0.0000448300000000, 0.0000103900000000, 0.0000574400000000 ] - [ 0.0007547100000000, 0.0010731500000000, 0.0068261100000000 ] - [ -0.0000159600000000, 0.0000106900000000, 0.0000264600000000 ] - [ -0.0007360900000000, 0.0011142600000000, 0.0068896500000000 ] - [ 0.0000448300000000, 0.0000103900000000, 0.0000574400000000 ] - [ -0.0007547100000000, 0.0010731500000000, 0.0068261100000000 ] - [ 0.0000159600000000, 0.0000106900000000, 0.0000264600000000 ] - [ 0.0003893300000000, 0.0002799700000000, 0.0002439900000000 ] - [ -0.0000742800000000, 0.0000219300000000, 0.0000103600000000 ] - [ 0.0000587200000000, 0.0007717400000000, -0.0007597000000000 ] - [ -0.0000287600000000, 0.0000231800000000, -0.0000087600000000 ] - [ -0.0019090500000000, -0.0003423100000000, 0.0011527400000000 ] - [ 0.0003621900000000, 0.0000313800000000, -0.0000349100000000 ] - [ -0.0003716100000000, 0.0002674300000000, 0.0002653100000000 ] - [ 0.0000839700000000, 0.0000173500000000, 0.0000232400000000 ] - [ 0.0003716100000000, 0.0002674300000000, 0.0002653100000000 ] - [ -0.0000839700000000, 0.0000173500000000, 0.0000232400000000 ] - [ 0.0000893500000000, 0.0007637900000000, -0.0007425300000000 ] - [ -0.0000176100000000, 0.0000183600000000, -0.0000183200000000 ] - [ -0.0018986300000000, -0.0003317200000000, 0.0011797300000000 ] - [ 0.0003726500000000, 0.0000368100000000, -0.0000239300000000 ] - [ -0.0003893300000000, 0.0002799700000000, 0.0002439900000000 ] - [ 0.0000742800000000, 0.0000219300000000, 0.0000103600000000 ] - [ 0.0000000000000000, -0.0021720900000000, -0.0068134700000000 ] - [ 0.0000000000000000, -0.0000047200000000, -0.0000202300000000 ] - [ 0.0000000000000000, -0.0022302500000000, -0.0068530900000000 ] - [ 0.0000000000000000, -0.0000041200000000, -0.0000288400000000 ] - [ 0.0014486700000000, 0.0006733000000000, -0.0017735400000000 ] - [ -0.0000796100000000, 0.0000141800000000, -0.0000338600000000 ] - [ 0.0014899700000000, 0.0006781600000000, -0.0018069800000000 ] - [ -0.0000527600000000, 0.0000142500000000, -0.0000636300000000 ] - [ -0.0014486700000000, 0.0006733000000000, -0.0017735400000000 ] - [ 0.0000796100000000, 0.0000141800000000, -0.0000338600000000 ] - [ -0.0014899700000000, 0.0006781600000000, -0.0018069800000000 ] - [ 0.0000527600000000, 0.0000142500000000, -0.0000636300000000 ] - [ 0.0000000000000000, -0.0010593700000000, -0.0249218300000000 ] - [ 0.0000000000000000, 0.0000331900000000, -0.0000306800000000 ] - [ -0.0000026800000000, 0.0006166900000000, 0.0005511400000000 ] - [ 0.0000026800000000, 0.0006166900000000, 0.0005511400000000 ] - [ 0.0045853800000000, 0.0039221500000000, 0.0009226700000000 ] - [ -0.0000054700000000, 0.0000303400000000, 0.0000220800000000 ] - [ -0.0045853800000000, 0.0039221500000000, 0.0009226700000000 ] - [ 0.0000054700000000, 0.0000303400000000, 0.0000220800000000 ] - [ -0.0000019800000000, -0.0005877600000000, 0.0001668300000000 ] - [ 0.0000019800000000, -0.0005877600000000, 0.0001668300000000 ] - [ 0.0000000000000000, -0.0015779500000000, -0.0040046600000000 ] - [ 0.0000000000000000, -0.0000320800000000, -0.0000161100000000 ] - [ 0.0046108800000000, 0.0039423800000000, 0.0008849800000000 ] - [ -0.0000054200000000, 0.0000305100000000, 0.0000213000000000 ] - [ -0.0046108800000000, 0.0039423800000000, 0.0008849800000000 ] - [ 0.0000054200000000, 0.0000305100000000, 0.0000213000000000 ] - [ 0.0000000000000000, 0.0031099400000000, 0.0407426000000000 ] - [ 0.0000000000000000, 0.0000408200000000, 0.0001185500000000 ] - [ 0.0000039500000000, 0.0005880200000000, -0.0019957900000000 ] - [ -0.0000039500000000, 0.0005880200000000, -0.0019957900000000 ] - [ -0.0095221600000000, -0.0083114700000000, -0.0002017300000000 ] - [ 0.0001528200000000, -0.0001117500000000, 0.0000076400000000 ] - [ 0.0094684300000000, -0.0082671600000000, -0.0001131800000000 ] - [ -0.0001530400000000, -0.0001113200000000, 0.0000092500000000 ] - [ 0.0000048100000000, -0.0002661400000000, -0.0006210900000000 ] - [ -0.0000048100000000, -0.0002661400000000, -0.0006210900000000 ] - [ 0.0000000000000000, 0.0032243400000000, 0.0059395300000000 ] - [ 0.0000000000000000, -0.0000263100000000, 0.0000650400000000 ] - [ -0.0094684300000000, -0.0082671600000000, -0.0001131800000000 ] - [ 0.0001530400000000, -0.0001113200000000, 0.0000092500000000 ] - [ 0.0095221600000000, -0.0083114700000000, -0.0002017300000000 ] - [ -0.0001528200000000, -0.0001117500000000, 0.0000076400000000 ]- atom: 61 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0056474200000000, 0.0004630700000000, 0.0011168100000000 ] - [ -0.0019811600000000, -0.0004464300000000, -0.0004933800000000 ] - [ 0.0056116900000000, -0.0004486400000000, 0.0011151600000000 ] - [ -0.0019933000000000, 0.0004502900000000, -0.0004830800000000 ] - [ -0.0010507400000000, 0.0008386000000000, 0.0013083100000000 ] - [ -0.0019454200000000, -0.0005108300000000, 0.0004400000000000 ] - [ 0.0095928800000000, -0.0006991500000000, -0.0011742800000000 ] - [ -0.0019998800000000, 0.0004582600000000, 0.0004972100000000 ] - [ -0.0021231700000000, -0.0016948600000000, -0.0005368000000000 ] - [ -0.0020036500000000, -0.0003326000000000, -0.0005753800000000 ] - [ -0.0019914500000000, 0.0003278600000000, -0.0005849500000000 ] - [ -0.0021187100000000, 0.0016797700000000, -0.0005512200000000 ] - [ 0.0095928800000000, 0.0006991500000000, -0.0011742800000000 ] - [ -0.0019998800000000, -0.0004582600000000, 0.0004972100000000 ] - [ -0.0010507400000000, -0.0008386000000000, 0.0013083100000000 ] - [ -0.0019454200000000, 0.0005108300000000, 0.0004400000000000 ] - [ 0.0002021000000000, 0.0000000000000000, 0.0018350200000000 ] - [ -0.0014242400000000, 0.0000000000000000, -0.0000081300000000 ] - [ -0.0062602600000000, 0.0000000000000000, 0.0063935800000000 ] - [ -0.0015052200000000, 0.0000000000000000, -0.0000417700000000 ] - [ 0.0136991700000000, 0.0000000000000000, 0.0107542900000000 ] - [ -0.0017998600000000, 0.0000000000000000, 0.0001848600000000 ] - [ -0.0009304600000000, 0.0000000000000000, -0.0004873800000000 ] - [ -0.0018313100000000, 0.0000000000000000, 0.0003371300000000 ] - [ -0.0018362500000000, 0.0000000000000000, -0.0009670000000000 ] - [ -0.0018636600000000, 0.0000000000000000, 0.0001964300000000 ] - [ 0.0065348700000000, 0.0000000000000000, -0.0010079000000000 ] - [ -0.0017921000000000, 0.0000000000000000, -0.0001837000000000 ] - [ -0.0019914500000000, -0.0003278600000000, -0.0005849500000000 ] - [ -0.0021187100000000, -0.0016797700000000, -0.0005512200000000 ] - [ -0.0021231700000000, 0.0016948600000000, -0.0005368000000000 ] - [ -0.0020036500000000, 0.0003326000000000, -0.0005753800000000 ] - [ 0.0094650600000000, 0.0008406900000000, -0.0011439100000000 ] - [ -0.0020117600000000, -0.0004619300000000, 0.0004878600000000 ] - [ -0.0019345900000000, 0.0005081800000000, 0.0004489500000000 ] - [ -0.0010437900000000, -0.0008332600000000, 0.0013165200000000 ] - [ 0.0056116900000000, 0.0004486400000000, 0.0011151600000000 ] - [ -0.0019933000000000, -0.0004502900000000, -0.0004830800000000 ] - [ 0.0056474200000000, -0.0004630700000000, 0.0011168100000000 ] - [ -0.0019811600000000, 0.0004464300000000, -0.0004933800000000 ] - [ -0.0019345900000000, -0.0005081800000000, 0.0004489500000000 ] - [ -0.0010437900000000, 0.0008332600000000, 0.0013165200000000 ] - [ 0.0094650600000000, -0.0008406900000000, -0.0011439100000000 ] - [ -0.0020117600000000, 0.0004619300000000, 0.0004878600000000 ] - [ -0.0061104600000000, 0.0000000000000000, 0.0063894600000000 ] - [ -0.0015043800000000, 0.0000000000000000, -0.0000352300000000 ] - [ 0.0002170900000000, 0.0000000000000000, 0.0018199500000000 ] - [ -0.0014241900000000, 0.0000000000000000, -0.0000151100000000 ] - [ -0.0018606500000000, 0.0000000000000000, 0.0003711800000000 ] - [ -0.0009623000000000, 0.0000000000000000, -0.0004535300000000 ] - [ 0.0137421700000000, 0.0000000000000000, 0.0104810200000000 ] - [ -0.0017706000000000, 0.0000000000000000, 0.0001519000000000 ] - [ 0.0065527800000000, 0.0000000000000000, -0.0009852200000000 ] - [ -0.0017629700000000, 0.0000000000000000, -0.0001521500000000 ] - [ -0.0018931500000000, 0.0000000000000000, 0.0001652600000000 ] - [ -0.0018592400000000, 0.0000000000000000, -0.0009877900000000 ] - [ 0.0032392900000000, 0.0054330400000000, 0.0046214300000000 ] - [ 0.0023559900000000, -0.0000132800000000, -0.0000055600000000 ] - [ 0.0032285300000000, -0.0053781400000000, 0.0045752400000000 ] - [ 0.0023560100000000, 0.0000133600000000, -0.0000054600000000 ] - [ -0.0552126600000000, 0.0000000000000000, -0.0377353500000000 ] - [ 0.0019495600000000, 0.0000000000000000, -0.0000683200000000 ] - [ 0.0034410700000000, 0.0000000000000000, 0.0006738500000000 ] - [ 0.0034287300000000, 0.0000000000000000, 0.0006752600000000 ] - [ 0.0032285300000000, 0.0053781400000000, 0.0045752400000000 ] - [ 0.0023560100000000, -0.0000133600000000, -0.0000054600000000 ] - [ 0.0032392900000000, -0.0054330400000000, 0.0046214300000000 ] - [ 0.0023559900000000, 0.0000132800000000, -0.0000055600000000 ] - [ 0.0014526400000000, 0.0000000000000000, -0.0000752800000000 ] - [ 0.0014570900000000, 0.0000000000000000, -0.0000760900000000 ] - [ -0.0055288000000000, 0.0000000000000000, -0.0004541000000000 ] - [ 0.0019313700000000, 0.0000000000000000, 0.0000594400000000 ] - [ 0.0033413000000000, 0.0100540300000000, -0.0091883000000000 ] - [ 0.0043102900000000, -0.0000439200000000, 0.0000400500000000 ] - [ 0.0033594400000000, -0.0099518300000000, -0.0091380500000000 ] - [ 0.0043104800000000, 0.0000444600000000, 0.0000395200000000 ] - [ -0.0226210100000000, 0.0000000000000000, 0.0113332400000000 ] - [ 0.0044123000000000, 0.0000000000000000, 0.0000322700000000 ] - [ -0.0290767000000000, 0.0000000000000000, 0.0069856400000000 ] - [ 0.0044299900000000, 0.0000000000000000, -0.0000359200000000 ] - [ 0.0033594400000000, 0.0099518300000000, -0.0091380500000000 ] - [ 0.0043104800000000, -0.0000444600000000, 0.0000395200000000 ] - [ 0.0033413000000000, -0.0100540300000000, -0.0091883000000000 ] - [ 0.0043102900000000, 0.0000439200000000, 0.0000400500000000 ] - [ 0.0046670600000000, 0.0000000000000000, 0.0006384400000000 ] - [ 0.0046695200000000, 0.0000000000000000, 0.0006374600000000 ] - [ 0.0044008700000000, 0.0000000000000000, -0.0002967900000000 ] - [ 0.0044005700000000, 0.0000000000000000, -0.0003023400000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000305800000000, 0.0010898400000000, 0.0023431400000000 ] - [ 0.0000111600000000, 0.0000043800000000, -0.0000026300000000 ] - [ -0.0000305800000000, 0.0010898400000000, -0.0023431400000000 ] - [ -0.0000111600000000, 0.0000043800000000, 0.0000026300000000 ] - [ 0.0002495200000000, 0.0000471000000000, 0.0000787200000000 ] - [ -0.0000175900000000, 0.0000173400000000, -0.0000106200000000 ] - [ -0.0009753100000000, 0.0015786400000000, 0.0014880700000000 ] - [ 0.0000619900000000, -0.0000155800000000, -0.0000041200000000 ] - [ -0.0028166700000000, -0.0002625600000000, -0.0002164200000000 ] - [ 0.0003156500000000, 0.0000040600000000, 0.0002225100000000 ] - [ -0.0003156500000000, 0.0000040600000000, -0.0002225100000000 ] - [ 0.0028166700000000, -0.0002625600000000, 0.0002164200000000 ] - [ 0.0012390000000000, 0.0010141500000000, -0.0015678000000000 ] - [ -0.0000500100000000, -0.0000099800000000, 0.0000137400000000 ] - [ -0.0002557700000000, 0.0000603100000000, -0.0000924200000000 ] - [ 0.0000047600000000, 0.0000254100000000, 0.0000023500000000 ] - [ 0.0000037600000000, -0.0045142500000000, -0.0000009200000000 ] - [ -0.0000000600000000, -0.0000918600000000, 0.0000035800000000 ] - [ -0.0000204300000000, 0.0070081500000000, 0.0000034400000000 ] - [ -0.0000002900000000, 0.0001243500000000, -0.0000032200000000 ] - [ -0.0000552100000000, 0.0049618000000000, -0.0000677500000000 ] - [ -0.0000143800000000, 0.0000064300000000, 0.0000161000000000 ] - [ 0.0000124300000000, -0.0006987900000000, -0.0000166800000000 ] - [ 0.0000156900000000, -0.0003201200000000, -0.0000174800000000 ] - [ 0.0000169800000000, 0.0005231100000000, 0.0000151500000000 ] - [ 0.0000133400000000, 0.0001410700000000, 0.0000155100000000 ] - [ -0.0000257700000000, -0.0063131900000000, -0.0000305300000000 ] - [ -0.0000137900000000, -0.0000156200000000, -0.0000138700000000 ] - [ 0.0003229300000000, 0.0000094200000000, 0.0002099100000000 ] - [ -0.0027886600000000, -0.0002589200000000, -0.0002286500000000 ] - [ 0.0027886600000000, -0.0002589200000000, 0.0002286500000000 ] - [ -0.0003229300000000, 0.0000094200000000, -0.0002099100000000 ] - [ 0.0009753100000000, 0.0015786400000000, -0.0014880700000000 ] - [ -0.0000619900000000, -0.0000155800000000, 0.0000041200000000 ] - [ 0.0000175900000000, 0.0000173400000000, 0.0000106200000000 ] - [ -0.0002495200000000, 0.0000471000000000, -0.0000787200000000 ] - [ -0.0000033400000000, 0.0010385900000000, 0.0023283800000000 ] - [ 0.0000004100000000, -0.0000030100000000, 0.0000081400000000 ] - [ 0.0000033400000000, 0.0010385900000000, -0.0023283800000000 ] - [ -0.0000004100000000, -0.0000030100000000, -0.0000081400000000 ] - [ -0.0000047600000000, 0.0000254100000000, -0.0000023500000000 ] - [ 0.0002557700000000, 0.0000603100000000, 0.0000924200000000 ] - [ -0.0012390000000000, 0.0010141500000000, 0.0015678000000000 ] - [ 0.0000500100000000, -0.0000099800000000, -0.0000137400000000 ] - [ 0.0000204300000000, 0.0070081500000000, -0.0000034400000000 ] - [ 0.0000002900000000, 0.0001243500000000, 0.0000032200000000 ] - [ -0.0000037600000000, -0.0045142500000000, 0.0000009200000000 ] - [ 0.0000000600000000, -0.0000918600000000, -0.0000035800000000 ] - [ -0.0000156900000000, -0.0003201200000000, 0.0000174800000000 ] - [ -0.0000124300000000, -0.0006987900000000, 0.0000166800000000 ] - [ 0.0000552100000000, 0.0049618000000000, 0.0000677500000000 ] - [ 0.0000143800000000, 0.0000064300000000, -0.0000161000000000 ] - [ 0.0000257700000000, -0.0063131900000000, 0.0000305300000000 ] - [ 0.0000137900000000, -0.0000156200000000, 0.0000138700000000 ] - [ -0.0000133400000000, 0.0001410700000000, -0.0000155100000000 ] - [ -0.0000169800000000, 0.0005231100000000, -0.0000151500000000 ] - [ 0.0047119300000000, 0.0011793100000000, 0.0039465700000000 ] - [ -0.0000429800000000, -0.0000029000000000, 0.0000307400000000 ] - [ -0.0047119300000000, 0.0011793100000000, -0.0039465700000000 ] - [ 0.0000429800000000, -0.0000029000000000, -0.0000307400000000 ] - [ 0.0000000000000000, -0.0566385600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000308200000000, 0.0000000000000000 ] - [ -0.0000032800000000, -0.0007343500000000, -0.0000010300000000 ] - [ 0.0000032800000000, -0.0007343500000000, 0.0000010300000000 ] - [ 0.0046858600000000, 0.0012237500000000, 0.0039180700000000 ] - [ -0.0000426800000000, -0.0000020100000000, 0.0000302200000000 ] - [ -0.0046858600000000, 0.0012237500000000, -0.0039180700000000 ] - [ 0.0000426800000000, -0.0000020100000000, -0.0000302200000000 ] - [ 0.0000007900000000, 0.0001274000000000, -0.0000000300000000 ] - [ -0.0000007900000000, 0.0001274000000000, 0.0000000300000000 ] - [ 0.0000000000000000, 0.0026626600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000056600000000, 0.0000000000000000 ] - [ 0.0113483300000000, -0.0006533400000000, -0.0088104200000000 ] - [ -0.0001064700000000, -0.0000312000000000, -0.0001177600000000 ] - [ -0.0113483300000000, -0.0006533400000000, 0.0088104200000000 ] - [ 0.0001064700000000, -0.0000312000000000, 0.0001177600000000 ] - [ 0.0000000000000000, -0.0075041700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000216300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0461892900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001080800000000, 0.0000000000000000 ] - [ 0.0112974000000000, -0.0005836900000000, -0.0087491000000000 ] - [ -0.0001066400000000, -0.0000301700000000, -0.0001153300000000 ] - [ -0.0112974000000000, -0.0005836900000000, 0.0087491000000000 ] - [ 0.0001066400000000, -0.0000301700000000, 0.0001153300000000 ] - [ 0.0000050700000000, 0.0023714700000000, 0.0000008200000000 ] - [ -0.0000050700000000, 0.0023714700000000, -0.0000008200000000 ] - [ -0.0000042600000000, -0.0003997500000000, 0.0000008500000000 ] - [ 0.0000042600000000, -0.0003997500000000, -0.0000008500000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0012510700000000, 0.0006144100000000, -0.0071926200000000 ] - [ 0.0000525300000000, 0.0000114100000000, -0.0000021300000000 ] - [ 0.0012925800000000, -0.0006376000000000, -0.0071863200000000 ] - [ 0.0000404500000000, -0.0000048200000000, 0.0000081400000000 ] - [ 0.0006764500000000, -0.0000484600000000, -0.0011954400000000 ] - [ -0.0000769300000000, -0.0001580800000000, -0.0002190700000000 ] - [ -0.0004409400000000, 0.0003354200000000, 0.0057202000000000 ] - [ 0.0000822200000000, -0.0000214200000000, -0.0000004400000000 ] - [ 0.0010395200000000, 0.0006998900000000, 0.0008199500000000 ] - [ 0.0000766300000000, -0.0000610300000000, 0.0002450100000000 ] - [ 0.0000895100000000, 0.0000532900000000, 0.0002372800000000 ] - [ 0.0010345100000000, -0.0007054300000000, 0.0008033300000000 ] - [ -0.0004409400000000, -0.0003354200000000, 0.0057202000000000 ] - [ 0.0000822200000000, 0.0000214200000000, -0.0000004400000000 ] - [ 0.0006764500000000, 0.0000484600000000, -0.0011954400000000 ] - [ -0.0000769300000000, 0.0001580800000000, -0.0002190700000000 ] - [ 0.0001810100000000, 0.0000000000000000, -0.0001650500000000 ] - [ 0.0000148900000000, 0.0000000000000000, 0.0000284300000000 ] - [ 0.0058597800000000, 0.0000000000000000, 0.0010087000000000 ] - [ 0.0000343700000000, 0.0000000000000000, 0.0000413300000000 ] - [ 0.0152113100000000, 0.0000000000000000, 0.0272944700000000 ] - [ 0.0000765900000000, 0.0000000000000000, -0.0000039500000000 ] - [ -0.0012719600000000, 0.0000000000000000, 0.0007540300000000 ] - [ 0.0002870100000000, 0.0000000000000000, -0.0001634000000000 ] - [ -0.0021978900000000, 0.0000000000000000, -0.0004885400000000 ] - [ 0.0003362500000000, 0.0000000000000000, -0.0000618700000000 ] - [ -0.0006123800000000, 0.0000000000000000, 0.0014561000000000 ] - [ 0.0000761700000000, 0.0000000000000000, 0.0000010900000000 ] - [ 0.0000895100000000, -0.0000532900000000, 0.0002372800000000 ] - [ 0.0010345100000000, 0.0007054300000000, 0.0008033300000000 ] - [ 0.0010395200000000, -0.0006998900000000, 0.0008199500000000 ] - [ 0.0000766300000000, 0.0000610300000000, 0.0002450100000000 ] - [ -0.0004724200000000, -0.0003222100000000, 0.0057260300000000 ] - [ 0.0000709700000000, 0.0000137400000000, -0.0000113500000000 ] - [ -0.0000688300000000, 0.0001525400000000, -0.0002093700000000 ] - [ 0.0006967100000000, 0.0000377200000000, -0.0011766000000000 ] - [ 0.0012925800000000, 0.0006376000000000, -0.0071863200000000 ] - [ 0.0000404500000000, 0.0000048200000000, 0.0000081400000000 ] - [ 0.0012510700000000, -0.0006144100000000, -0.0071926200000000 ] - [ 0.0000525300000000, -0.0000114100000000, -0.0000021300000000 ] - [ -0.0000688300000000, -0.0001525400000000, -0.0002093700000000 ] - [ 0.0006967100000000, -0.0000377200000000, -0.0011766000000000 ] - [ -0.0004724200000000, 0.0003222100000000, 0.0057260300000000 ] - [ 0.0000709700000000, -0.0000137400000000, -0.0000113500000000 ] - [ 0.0059115900000000, 0.0000000000000000, 0.0009351600000000 ] - [ 0.0000348100000000, 0.0000000000000000, 0.0000487200000000 ] - [ 0.0001812700000000, 0.0000000000000000, -0.0002040100000000 ] - [ 0.0000154200000000, 0.0000000000000000, 0.0000209900000000 ] - [ 0.0002627200000000, 0.0000000000000000, -0.0001355900000000 ] - [ -0.0012913900000000, 0.0000000000000000, 0.0007753400000000 ] - [ 0.0142611100000000, 0.0000000000000000, 0.0254490900000000 ] - [ 0.0001025100000000, 0.0000000000000000, -0.0000314900000000 ] - [ -0.0006035600000000, 0.0000000000000000, 0.0014382100000000 ] - [ 0.0001025600000000, 0.0000000000000000, 0.0000285300000000 ] - [ 0.0003091200000000, 0.0000000000000000, -0.0000933700000000 ] - [ -0.0022111200000000, 0.0000000000000000, -0.0005168000000000 ] - [ 0.0066069500000000, 0.0058750700000000, 0.0008865100000000 ] - [ -0.0001534600000000, 0.0000080000000000, 0.0000210900000000 ] - [ 0.0065644800000000, -0.0058360500000000, 0.0009212300000000 ] - [ -0.0001534200000000, -0.0000074300000000, 0.0000219900000000 ] - [ -0.0377541500000000, 0.0000000000000000, -0.1115816300000000 ] - [ -0.0000683700000000, 0.0000000000000000, -0.0000186600000000 ] - [ -0.0006767500000000, 0.0000000000000000, -0.0011687200000000 ] - [ -0.0006724000000000, 0.0000000000000000, -0.0011624300000000 ] - [ 0.0065644800000000, 0.0058360500000000, 0.0009212300000000 ] - [ -0.0001534200000000, 0.0000074300000000, 0.0000219900000000 ] - [ 0.0066069500000000, -0.0058750700000000, 0.0008865100000000 ] - [ -0.0001534600000000, -0.0000080000000000, 0.0000210900000000 ] - [ -0.0000754400000000, 0.0000000000000000, 0.0004490900000000 ] - [ -0.0000764100000000, 0.0000000000000000, 0.0004464900000000 ] - [ 0.0004542700000000, 0.0000000000000000, 0.0030683800000000 ] - [ -0.0000593500000000, 0.0000000000000000, 0.0000213800000000 ] - [ -0.0069975700000000, -0.0068799100000000, 0.0035124800000000 ] - [ -0.0000029400000000, -0.0000168500000000, -0.0000919700000000 ] - [ -0.0070364100000000, 0.0069106000000000, 0.0034062300000000 ] - [ -0.0000022400000000, 0.0000177200000000, -0.0000945500000000 ] - [ -0.0081608200000000, 0.0000000000000000, 0.0508035400000000 ] - [ -0.0001384400000000, 0.0000000000000000, 0.0000518700000000 ] - [ 0.0054241500000000, 0.0000000000000000, -0.0096708000000000 ] - [ -0.0001666000000000, 0.0000000000000000, -0.0000439300000000 ] - [ -0.0070364100000000, -0.0069106000000000, 0.0034062300000000 ] - [ -0.0000022400000000, -0.0000177200000000, -0.0000945500000000 ] - [ -0.0069975700000000, 0.0068799100000000, 0.0035124800000000 ] - [ -0.0000029400000000, 0.0000168500000000, -0.0000919700000000 ] - [ -0.0006516900000000, 0.0000000000000000, -0.0012518600000000 ] - [ -0.0006414200000000, 0.0000000000000000, -0.0012414700000000 ] - [ -0.0000691100000000, 0.0000000000000000, 0.0019961400000000 ] - [ -0.0000765300000000, 0.0000000000000000, 0.0019872200000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0733363800000000, 0.0086696300000000, 0.0540289000000000 ] - [ -0.0045608100000000, -0.0010509000000000, -0.0010993200000000 ] - [ -0.0061877500000000, 0.0006621300000000, -0.0033163500000000 ] - [ -0.0047143800000000, 0.0010136900000000, -0.0009994800000000 ] - [ 0.0111792000000000, 0.0083756900000000, -0.0032707500000000 ] - [ -0.0044228100000000, -0.0010489800000000, 0.0010182100000000 ] - [ 0.0733363800000000, -0.0086696300000000, -0.0540289000000000 ] - [ -0.0045608100000000, 0.0010509000000000, 0.0010993200000000 ] - [ 0.0758464700000000, 0.0093732500000000, 0.0573933400000000 ] - [ -0.0045721900000000, -0.0010574200000000, -0.0010884500000000 ] - [ -0.0061473300000000, 0.0006454100000000, -0.0033363800000000 ] - [ -0.0047087500000000, 0.0010090900000000, -0.0010132500000000 ] - [ 0.0111326000000000, 0.0083614100000000, -0.0032285200000000 ] - [ -0.0044116300000000, -0.0010426400000000, 0.0010275900000000 ] - [ 0.0758464700000000, -0.0093732500000000, -0.0573933400000000 ] - [ -0.0045721900000000, 0.0010574200000000, 0.0010884500000000 ] - [ -0.0029329900000000, 0.0014783900000000, -0.0000347500000000 ] - [ -0.0029300400000000, -0.0014760100000000, 0.0000461800000000 ] - [ -0.0029329900000000, -0.0014783900000000, 0.0000347500000000 ] - [ -0.0029300400000000, 0.0014760100000000, -0.0000461800000000 ] - [ 0.0061887100000000, -0.0061621400000000, -0.0059947700000000 ] - [ -0.0039033400000000, 0.0000617200000000, 0.0003589100000000 ] - [ 0.0062202900000000, -0.0061481600000000, -0.0059893700000000 ] - [ -0.0038787600000000, 0.0000619000000000, 0.0003295700000000 ] - [ 0.0062202900000000, 0.0061481600000000, 0.0059893700000000 ] - [ -0.0038787600000000, -0.0000619000000000, -0.0003295700000000 ] - [ 0.0061887100000000, 0.0061621400000000, 0.0059947700000000 ] - [ -0.0039033400000000, -0.0000617200000000, -0.0003589100000000 ] - [ -0.0011704100000000, -0.0002997400000000, -0.0010816000000000 ] - [ -0.0037916000000000, -0.0008429400000000, -0.0008340800000000 ] - [ 0.0111792000000000, -0.0083756900000000, 0.0032707500000000 ] - [ -0.0044228100000000, 0.0010489800000000, -0.0010182100000000 ] - [ -0.0061877500000000, -0.0006621300000000, 0.0033163500000000 ] - [ -0.0047143800000000, -0.0010136900000000, 0.0009994800000000 ] - [ -0.0011704100000000, 0.0002997400000000, 0.0010816000000000 ] - [ -0.0037916000000000, 0.0008429400000000, 0.0008340800000000 ] - [ -0.0011957000000000, -0.0003050800000000, -0.0010628300000000 ] - [ -0.0037994000000000, -0.0008483200000000, -0.0008196700000000 ] - [ 0.0111326000000000, -0.0083614100000000, 0.0032285200000000 ] - [ -0.0044116300000000, 0.0010426400000000, -0.0010275900000000 ] - [ -0.0061473300000000, -0.0006454100000000, 0.0033363800000000 ] - [ -0.0047087500000000, -0.0010090900000000, 0.0010132500000000 ] - [ -0.0011957000000000, 0.0003050800000000, 0.0010628300000000 ] - [ -0.0037994000000000, 0.0008483200000000, 0.0008196700000000 ] - [ 0.0241672700000000, 0.0003325600000000, -0.0001078500000000 ] - [ -0.0032609400000000, -0.0000002500000000, 0.0000053200000000 ] - [ 0.0241672700000000, -0.0003325600000000, 0.0001078500000000 ] - [ -0.0032609400000000, 0.0000002500000000, -0.0000053200000000 ] - [ -0.0065282800000000, -0.0052489500000000, 0.0003138800000000 ] - [ -0.0044018800000000, 0.0000605400000000, 0.0005370100000000 ] - [ -0.0064769100000000, -0.0051988700000000, 0.0003166400000000 ] - [ -0.0043836100000000, 0.0000599300000000, 0.0005088200000000 ] - [ -0.0064769100000000, 0.0051988700000000, -0.0003166400000000 ] - [ -0.0043836100000000, -0.0000599300000000, -0.0005088200000000 ] - [ -0.0065282800000000, 0.0052489500000000, -0.0003138800000000 ] - [ -0.0044018800000000, -0.0000605400000000, -0.0005370100000000 ] - [ -0.0318396300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0051910200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0074314000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0074582100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0033464000000000, 0.0112859900000000, -0.0069652700000000 ] - [ 0.0043095800000000, -0.0001063200000000, -0.0000006800000000 ] - [ 0.0033537400000000, -0.0113621700000000, 0.0070672900000000 ] - [ 0.0043095500000000, 0.0001062700000000, 0.0000034100000000 ] - [ 0.0053660100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0053777100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0166076100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0051403900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0033537400000000, 0.0113621700000000, -0.0070672900000000 ] - [ 0.0043095500000000, -0.0001062700000000, -0.0000034100000000 ] - [ 0.0033464000000000, -0.0112859900000000, 0.0069652700000000 ] - [ 0.0043095800000000, 0.0001063200000000, 0.0000006800000000 ] - [ -0.3801425500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0098129000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0106523900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0106475600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0150875300000000, 0.0269581800000000, 0.0149563600000000 ] - [ 0.0098446500000000, -0.0003855100000000, -0.0002559400000000 ] - [ 0.0150875300000000, -0.0269581800000000, -0.0149563600000000 ] - [ 0.0098446500000000, 0.0003855100000000, 0.0002559400000000 ] - [ 0.0068387000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0068276500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0315962500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0096577000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0151042300000000, 0.0270680000000000, 0.0151464100000000 ] - [ 0.0098451200000000, -0.0003859200000000, -0.0002500200000000 ] - [ 0.0151042300000000, -0.0270680000000000, -0.0151464100000000 ] - [ 0.0098451200000000, 0.0003859200000000, 0.0002500200000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0113751100000000, 0.0225773600000000, 0.0092219700000000 ] - [ 0.0000767700000000, 0.0000461400000000, 0.0000414600000000 ] - [ -0.0023139100000000, 0.0010008300000000, -0.0014756100000000 ] - [ 0.0004214000000000, 0.0000397100000000, 0.0000681600000000 ] - [ -0.0013173600000000, -0.0163196700000000, -0.0027880900000000 ] - [ -0.0000430700000000, -0.0000432100000000, 0.0000139900000000 ] - [ -0.0109966900000000, 0.0223241500000000, 0.0088867700000000 ] - [ -0.0000653900000000, 0.0000413100000000, 0.0000524700000000 ] - [ 0.0109966900000000, 0.0223241500000000, 0.0088867700000000 ] - [ 0.0000653900000000, 0.0000413100000000, 0.0000524700000000 ] - [ -0.0022800000000000, 0.0009908700000000, -0.0014750900000000 ] - [ 0.0004277200000000, 0.0000363700000000, 0.0000563000000000 ] - [ -0.0012957600000000, -0.0163558500000000, -0.0027966600000000 ] - [ -0.0000323300000000, -0.0000384100000000, 0.0000238500000000 ] - [ -0.0113751100000000, 0.0225773600000000, 0.0092219700000000 ] - [ -0.0000767700000000, 0.0000461400000000, 0.0000414600000000 ] - [ 0.0003362000000000, 0.0000655900000000, -0.0001327900000000 ] - [ -0.0003362000000000, 0.0000655900000000, -0.0001327900000000 ] - [ -0.0003350600000000, 0.0000555800000000, -0.0001420100000000 ] - [ 0.0003350600000000, 0.0000555800000000, -0.0001420100000000 ] - [ -0.0016277200000000, -0.0003079200000000, 0.0016733700000000 ] - [ 0.0000330000000000, -0.0000110100000000, -0.0000267900000000 ] - [ -0.0016099200000000, -0.0002720300000000, 0.0016702500000000 ] - [ 0.0000622300000000, -0.0000104100000000, -0.0000580100000000 ] - [ 0.0016277200000000, -0.0003079200000000, 0.0016733700000000 ] - [ -0.0000330000000000, -0.0000110100000000, -0.0000267900000000 ] - [ 0.0016099200000000, -0.0002720300000000, 0.0016702500000000 ] - [ -0.0000622300000000, -0.0000104100000000, -0.0000580100000000 ] - [ -0.0005436100000000, -0.0008974800000000, -0.0003952400000000 ] - [ 0.0001219100000000, -0.0000963800000000, -0.0000123800000000 ] - [ 0.0012957600000000, -0.0163558500000000, -0.0027966600000000 ] - [ 0.0000323300000000, -0.0000384100000000, 0.0000238500000000 ] - [ 0.0022800000000000, 0.0009908700000000, -0.0014750900000000 ] - [ -0.0004277200000000, 0.0000363700000000, 0.0000563000000000 ] - [ 0.0005442000000000, -0.0009053600000000, -0.0003783500000000 ] - [ -0.0001089600000000, -0.0001010800000000, -0.0000007400000000 ] - [ -0.0005442000000000, -0.0009053600000000, -0.0003783500000000 ] - [ 0.0001089600000000, -0.0001010800000000, -0.0000007400000000 ] - [ 0.0013173600000000, -0.0163196700000000, -0.0027880900000000 ] - [ 0.0000430700000000, -0.0000432100000000, 0.0000139900000000 ] - [ 0.0023139100000000, 0.0010008300000000, -0.0014756100000000 ] - [ -0.0004214000000000, 0.0000397100000000, 0.0000681600000000 ] - [ 0.0005436100000000, -0.0008974800000000, -0.0003952400000000 ] - [ -0.0001219100000000, -0.0000963800000000, -0.0000123800000000 ] - [ 0.0000000000000000, 0.0970533900000000, -0.0391986500000000 ] - [ 0.0000000000000000, 0.0000043300000000, 0.0000366000000000 ] - [ 0.0000000000000000, 0.1045721300000000, -0.0425165100000000 ] - [ 0.0000000000000000, 0.0000052900000000, 0.0000280600000000 ] - [ -0.0029182500000000, -0.0007545500000000, -0.0008108900000000 ] - [ 0.0001669600000000, -0.0000171900000000, 0.0000657400000000 ] - [ -0.0028850400000000, -0.0007795100000000, -0.0008189700000000 ] - [ 0.0001944400000000, -0.0000178200000000, 0.0000350300000000 ] - [ 0.0029182500000000, -0.0007545500000000, -0.0008108900000000 ] - [ -0.0001669600000000, -0.0000171900000000, 0.0000657400000000 ] - [ 0.0028850400000000, -0.0007795100000000, -0.0008189700000000 ] - [ -0.0001944400000000, -0.0000178200000000, 0.0000350300000000 ] - [ 0.0000000000000000, -0.0084882200000000, 0.0031099300000000 ] - [ 0.0000000000000000, -0.0000513900000000, 0.0000407100000000 ] - [ 0.0000018800000000, -0.0013682900000000, -0.0005879300000000 ] - [ -0.0000018800000000, -0.0013682900000000, -0.0005879300000000 ] - [ 0.0099636600000000, -0.0006031800000000, -0.0068701300000000 ] - [ -0.0000439100000000, -0.0000297400000000, -0.0000176400000000 ] - [ -0.0099636600000000, -0.0006031800000000, -0.0068701300000000 ] - [ 0.0000439100000000, -0.0000297400000000, -0.0000176400000000 ] - [ -0.0000033800000000, 0.0013379400000000, -0.0002662700000000 ] - [ 0.0000033800000000, 0.0013379400000000, -0.0002662700000000 ] - [ 0.0000000000000000, 0.0067932100000000, -0.0032242000000000 ] - [ 0.0000000000000000, 0.0000499500000000, 0.0000264000000000 ] - [ 0.0100442600000000, -0.0006371000000000, -0.0069199300000000 ] - [ -0.0000439700000000, -0.0000303500000000, -0.0000178600000000 ] - [ -0.0100442600000000, -0.0006371000000000, -0.0069199300000000 ] - [ 0.0000439700000000, -0.0000303500000000, -0.0000178600000000 ] - [ 0.0000000000000000, -0.3583787700000000, 0.0292835200000000 ] - [ 0.0000000000000000, -0.0000694300000000, -0.0001603100000000 ] - [ 0.0000041500000000, -0.0011190100000000, 0.0017054300000000 ] - [ -0.0000041500000000, -0.0011190100000000, 0.0017054300000000 ] - [ 0.0118147500000000, 0.0075003800000000, 0.0093656500000000 ] - [ -0.0002254400000000, 0.0001142100000000, 0.0000226800000000 ] - [ -0.0118947800000000, 0.0073760100000000, 0.0094177100000000 ] - [ 0.0002255700000000, 0.0001113600000000, 0.0000237600000000 ] - [ -0.0000055900000000, 0.0008020300000000, 0.0005932100000000 ] - [ 0.0000055900000000, 0.0008020300000000, 0.0005932100000000 ] - [ 0.0000000000000000, 0.1110481600000000, 0.0187816500000000 ] - [ 0.0000000000000000, 0.0000528100000000, -0.0000999800000000 ] - [ 0.0118947800000000, 0.0073760100000000, 0.0094177100000000 ] - [ -0.0002255700000000, 0.0001113600000000, 0.0000237600000000 ] - [ -0.0118147500000000, 0.0075003800000000, 0.0093656500000000 ] - [ 0.0002254400000000, 0.0001142100000000, 0.0000226800000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0503128200000000, 0.0053938500000000, 0.0717015500000000 ] - [ 0.0002305100000000, 0.0000963200000000, 0.0001633100000000 ] - [ -0.0084960200000000, 0.0020142400000000, -0.0059921800000000 ] - [ 0.0014843800000000, -0.0002132000000000, 0.0001920100000000 ] - [ 0.0001885600000000, -0.0014001100000000, 0.0028274300000000 ] - [ -0.0000986200000000, -0.0000827400000000, 0.0000526600000000 ] - [ -0.0537541500000000, 0.0061539800000000, 0.0746342800000000 ] - [ -0.0002185500000000, 0.0000908400000000, 0.0001741700000000 ] - [ 0.0537541500000000, 0.0061539800000000, 0.0746342800000000 ] - [ 0.0002185500000000, 0.0000908400000000, 0.0001741700000000 ] - [ -0.0084651300000000, 0.0019987900000000, -0.0059912800000000 ] - [ 0.0014890900000000, -0.0002162800000000, 0.0001779500000000 ] - [ 0.0001690300000000, -0.0014308700000000, 0.0028789900000000 ] - [ -0.0000875300000000, -0.0000773700000000, 0.0000625300000000 ] - [ -0.0503128200000000, 0.0053938500000000, 0.0717015500000000 ] - [ -0.0002305100000000, 0.0000963200000000, 0.0001633100000000 ] - [ -0.0003112200000000, 0.0004397400000000, -0.0013730200000000 ] - [ 0.0003112200000000, 0.0004397400000000, -0.0013730200000000 ] - [ 0.0003144000000000, 0.0004247000000000, -0.0013849800000000 ] - [ -0.0003144000000000, 0.0004247000000000, -0.0013849800000000 ] - [ 0.0002037700000000, -0.0026485900000000, -0.0128343000000000 ] - [ 0.0001041600000000, -0.0000419100000000, -0.0001571100000000 ] - [ 0.0001687100000000, -0.0026667900000000, -0.0128132300000000 ] - [ 0.0001322300000000, -0.0000409800000000, -0.0001866700000000 ] - [ -0.0002037700000000, -0.0026485900000000, -0.0128343000000000 ] - [ -0.0001041600000000, -0.0000419100000000, -0.0001571100000000 ] - [ -0.0001687100000000, -0.0026667900000000, -0.0128132300000000 ] - [ -0.0001322300000000, -0.0000409800000000, -0.0001866700000000 ] - [ -0.0016763000000000, -0.0008199700000000, -0.0011536000000000 ] - [ 0.0003436000000000, -0.0000330400000000, -0.0000734100000000 ] - [ -0.0001690300000000, -0.0014308700000000, 0.0028789900000000 ] - [ 0.0000875300000000, -0.0000773700000000, 0.0000625300000000 ] - [ 0.0084651300000000, 0.0019987900000000, -0.0059912800000000 ] - [ -0.0014890900000000, -0.0002162800000000, 0.0001779500000000 ] - [ 0.0016740200000000, -0.0008171900000000, -0.0011435300000000 ] - [ -0.0003303600000000, -0.0000385700000000, -0.0000610600000000 ] - [ -0.0016740200000000, -0.0008171900000000, -0.0011435300000000 ] - [ 0.0003303600000000, -0.0000385700000000, -0.0000610600000000 ] - [ -0.0001885600000000, -0.0014001100000000, 0.0028274300000000 ] - [ 0.0000986200000000, -0.0000827400000000, 0.0000526600000000 ] - [ 0.0084960200000000, 0.0020142400000000, -0.0059921800000000 ] - [ -0.0014843800000000, -0.0002132000000000, 0.0001920100000000 ] - [ 0.0016763000000000, -0.0008199700000000, -0.0011536000000000 ] - [ -0.0003436000000000, -0.0000330400000000, -0.0000734100000000 ] - [ 0.0000000000000000, -0.0373518900000000, 0.0380546500000000 ] - [ 0.0000000000000000, 0.0000175700000000, 0.0001039500000000 ] - [ 0.0000000000000000, -0.0366204200000000, 0.0381380500000000 ] - [ 0.0000000000000000, 0.0000188800000000, 0.0000946600000000 ] - [ -0.0054092600000000, -0.0024685300000000, 0.0074345600000000 ] - [ 0.0002265800000000, -0.0000520900000000, 0.0002147700000000 ] - [ -0.0053822800000000, -0.0024622900000000, 0.0074239900000000 ] - [ 0.0002519400000000, -0.0000532600000000, 0.0001861600000000 ] - [ 0.0054092600000000, -0.0024685300000000, 0.0074345600000000 ] - [ -0.0002265800000000, -0.0000520900000000, 0.0002147700000000 ] - [ 0.0053822800000000, -0.0024622900000000, 0.0074239900000000 ] - [ -0.0002519400000000, -0.0000532600000000, 0.0001861600000000 ] - [ 0.0000000000000000, -0.0058802600000000, 0.0407435800000000 ] - [ 0.0000000000000000, -0.0001319700000000, 0.0001238900000000 ] - [ -0.0000024300000000, -0.0023736400000000, -0.0019959000000000 ] - [ 0.0000024300000000, -0.0023736400000000, -0.0019959000000000 ] - [ -0.0091864500000000, -0.0087948000000000, 0.0034484200000000 ] - [ 0.0000405900000000, -0.0001165200000000, -0.0000934500000000 ] - [ 0.0091864500000000, -0.0087948000000000, 0.0034484200000000 ] - [ -0.0000405900000000, -0.0001165200000000, -0.0000934500000000 ] - [ -0.0000035900000000, 0.0022688900000000, -0.0006197800000000 ] - [ 0.0000035900000000, 0.0022688900000000, -0.0006197800000000 ] - [ 0.0000000000000000, 0.0043327400000000, 0.0059417900000000 ] - [ 0.0000000000000000, 0.0001280500000000, 0.0000657700000000 ] - [ -0.0091382500000000, -0.0087640100000000, 0.0034683100000000 ] - [ 0.0000399900000000, -0.0001172600000000, -0.0000941500000000 ] - [ 0.0091382500000000, -0.0087640100000000, 0.0034683100000000 ] - [ -0.0000399900000000, -0.0001172600000000, -0.0000941500000000 ] - [ 0.0000000000000000, 0.0291823400000000, -0.4166799500000000 ] - [ 0.0000000000000000, -0.0001603300000000, -0.0005146100000000 ] - [ -0.0000069200000000, -0.0017052800000000, 0.0074056100000000 ] - [ 0.0000069200000000, -0.0017052800000000, 0.0074056100000000 ] - [ 0.0246157900000000, 0.0247978600000000, 0.0108359500000000 ] - [ -0.0005894000000000, 0.0004422500000000, -0.0000356900000000 ] - [ -0.0247388300000000, 0.0248559800000000, 0.0108550200000000 ] - [ 0.0005901200000000, 0.0004386800000000, -0.0000337900000000 ] - [ -0.0000082500000000, 0.0005929800000000, 0.0026368000000000 ] - [ 0.0000082500000000, 0.0005929800000000, 0.0026368000000000 ] - [ 0.0000000000000000, -0.0187831400000000, -0.0272778100000000 ] - [ 0.0000000000000000, 0.0001007800000000, -0.0002686300000000 ] - [ 0.0247388300000000, 0.0248559800000000, 0.0108550200000000 ] - [ -0.0005901200000000, 0.0004386800000000, -0.0000337900000000 ] - [ -0.0246157900000000, 0.0247978600000000, 0.0108359500000000 ] - [ 0.0005894000000000, 0.0004422500000000, -0.0000356900000000 ]- atom: 77 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0506169000000000, 0.0383260900000000, 0.0104748500000000 ] - [ -0.0047054000000000, -0.0010562500000000, -0.0011605700000000 ] - [ 0.0493238200000000, -0.0361714600000000, 0.0098672800000000 ] - [ -0.0047164100000000, 0.0010648500000000, -0.0011483200000000 ] - [ -0.0078111400000000, -0.0002646200000000, 0.0009408200000000 ] - [ -0.0051962300000000, -0.0012749800000000, 0.0015729100000000 ] - [ 0.0115447400000000, -0.0045852900000000, -0.0077677300000000 ] - [ -0.0044206400000000, 0.0010178600000000, 0.0011096700000000 ] - [ -0.0017469400000000, -0.0011887500000000, -0.0014064900000000 ] - [ -0.0039272300000000, -0.0007019700000000, -0.0008119200000000 ] - [ -0.0039130400000000, 0.0006908100000000, -0.0008215000000000 ] - [ -0.0017468000000000, 0.0011702700000000, -0.0014242600000000 ] - [ 0.0115447400000000, 0.0045852900000000, -0.0077677300000000 ] - [ -0.0044206400000000, -0.0010178600000000, 0.0011096700000000 ] - [ -0.0078111400000000, 0.0002646200000000, 0.0009408200000000 ] - [ -0.0051962300000000, 0.0012749800000000, 0.0015729100000000 ] - [ -0.0036512300000000, 0.0000000000000000, -0.0035329900000000 ] - [ -0.0032963200000000, 0.0000000000000000, 0.0001616800000000 ] - [ -0.0025150100000000, 0.0000000000000000, -0.0077395400000000 ] - [ -0.0033312100000000, 0.0000000000000000, 0.0001492800000000 ] - [ 0.0584486600000000, 0.0000000000000000, -0.0440729900000000 ] - [ -0.0041011900000000, 0.0000000000000000, 0.0003868400000000 ] - [ -0.0024958900000000, 0.0000000000000000, 0.0009461100000000 ] - [ -0.0036313800000000, 0.0000000000000000, -0.0002050300000000 ] - [ -0.0043671500000000, 0.0000000000000000, 0.0015392300000000 ] - [ -0.0046329900000000, 0.0000000000000000, -0.0009210400000000 ] - [ 0.0124088400000000, 0.0000000000000000, 0.0017294000000000 ] - [ -0.0040170200000000, 0.0000000000000000, -0.0003991000000000 ] - [ -0.0039130400000000, -0.0006908100000000, -0.0008215000000000 ] - [ -0.0017468000000000, -0.0011702700000000, -0.0014242600000000 ] - [ -0.0017469400000000, 0.0011887500000000, -0.0014064900000000 ] - [ -0.0039272300000000, 0.0007019700000000, -0.0008119200000000 ] - [ 0.0115321200000000, 0.0045686100000000, -0.0077933000000000 ] - [ -0.0044312300000000, -0.0010269700000000, 0.0010981900000000 ] - [ -0.0051877900000000, 0.0012683000000000, 0.0015838700000000 ] - [ -0.0078063600000000, 0.0002955900000000, 0.0009782000000000 ] - [ 0.0493238200000000, 0.0361714600000000, 0.0098672800000000 ] - [ -0.0047164100000000, -0.0010648500000000, -0.0011483200000000 ] - [ 0.0506169000000000, -0.0383260900000000, 0.0104748500000000 ] - [ -0.0047054000000000, 0.0010562500000000, -0.0011605700000000 ] - [ -0.0051877900000000, -0.0012683000000000, 0.0015838700000000 ] - [ -0.0078063600000000, -0.0002955900000000, 0.0009782000000000 ] - [ 0.0115321200000000, -0.0045686100000000, -0.0077933000000000 ] - [ -0.0044312300000000, 0.0010269700000000, 0.0010981900000000 ] - [ -0.0025191500000000, 0.0000000000000000, -0.0077714500000000 ] - [ -0.0033306300000000, 0.0000000000000000, 0.0001601300000000 ] - [ -0.0035985300000000, 0.0000000000000000, -0.0035273000000000 ] - [ -0.0032969100000000, 0.0000000000000000, 0.0001497300000000 ] - [ -0.0036540400000000, 0.0000000000000000, -0.0001795800000000 ] - [ -0.0025243100000000, 0.0000000000000000, 0.0009722400000000 ] - [ 0.0578413400000000, 0.0000000000000000, -0.0422756200000000 ] - [ -0.0040765000000000, 0.0000000000000000, 0.0003616900000000 ] - [ 0.0124087900000000, 0.0000000000000000, 0.0017495300000000 ] - [ -0.0039917600000000, 0.0000000000000000, -0.0003749100000000 ] - [ -0.0046584900000000, 0.0000000000000000, -0.0009437400000000 ] - [ -0.0043676300000000, 0.0000000000000000, 0.0015083400000000 ] - [ 0.0053673700000000, 0.0093692600000000, -0.0095340000000000 ] - [ 0.0053560100000000, -0.0002271300000000, 0.0001531000000000 ] - [ 0.0053475800000000, -0.0092843800000000, -0.0094546100000000 ] - [ 0.0053566300000000, 0.0002279500000000, 0.0001540500000000 ] - [ -0.0226205600000000, 0.0000000000000000, -0.0081606400000000 ] - [ 0.0044167400000000, 0.0000000000000000, -0.0001385800000000 ] - [ 0.0044033300000000, 0.0000000000000000, 0.0000714600000000 ] - [ 0.0043996300000000, 0.0000000000000000, 0.0000748900000000 ] - [ 0.0053475800000000, 0.0092843800000000, -0.0094546100000000 ] - [ 0.0053566300000000, -0.0002279500000000, 0.0001540500000000 ] - [ 0.0053673700000000, -0.0093692600000000, -0.0095340000000000 ] - [ 0.0053560100000000, 0.0002271300000000, 0.0001531000000000 ] - [ 0.0046666600000000, 0.0000000000000000, -0.0006454800000000 ] - [ 0.0046725800000000, 0.0000000000000000, -0.0006479900000000 ] - [ -0.0290790300000000, 0.0000000000000000, -0.0054249800000000 ] - [ 0.0044248700000000, 0.0000000000000000, 0.0001663600000000 ] - [ 0.0151060400000000, 0.0119530300000000, 0.0247196400000000 ] - [ 0.0098443400000000, -0.0002250500000000, -0.0005883700000000 ] - [ 0.0150868200000000, -0.0117567900000000, 0.0246355000000000 ] - [ 0.0098457600000000, 0.0002267700000000, -0.0005919100000000 ] - [ -0.3507152400000000, 0.0000000000000000, 0.0465004200000000 ] - [ 0.0102386200000000, 0.0000000000000000, 0.0001259700000000 ] - [ -0.0350940800000000, 0.0000000000000000, 0.0018728600000000 ] - [ 0.0099253800000000, 0.0000000000000000, -0.0000748000000000 ] - [ 0.0150868200000000, 0.0117567900000000, 0.0246355000000000 ] - [ 0.0098457600000000, -0.0002267700000000, -0.0005919100000000 ] - [ 0.0151060400000000, -0.0119530300000000, 0.0247196400000000 ] - [ 0.0098443400000000, 0.0002250500000000, -0.0005883700000000 ] - [ 0.0078166500000000, 0.0000000000000000, 0.0003683300000000 ] - [ 0.0078302100000000, 0.0000000000000000, 0.0003737700000000 ] - [ 0.0141298300000000, 0.0000000000000000, -0.0009473400000000 ] - [ 0.0140963400000000, 0.0000000000000000, -0.0009553900000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0336787900000000, 0.0635629300000000, 0.0084104900000000 ] - [ 0.0002113300000000, 0.0000541000000000, 0.0000254700000000 ] - [ -0.0336787900000000, 0.0635629300000000, -0.0084104900000000 ] - [ -0.0002113300000000, 0.0000541000000000, -0.0000254700000000 ] - [ 0.0100184100000000, 0.0017293100000000, -0.0012539900000000 ] - [ -0.0011965700000000, -0.0000566000000000, 0.0007881700000000 ] - [ 0.0006954100000000, -0.0032666200000000, -0.0072785100000000 ] - [ 0.0000235300000000, -0.0000073100000000, -0.0000030700000000 ] - [ -0.0004726900000000, 0.0000186400000000, 0.0001177100000000 ] - [ 0.0000276200000000, -0.0000731100000000, -0.0000492400000000 ] - [ -0.0000276200000000, -0.0000731100000000, 0.0000492400000000 ] - [ 0.0004726900000000, 0.0000186400000000, -0.0001177100000000 ] - [ -0.0007184600000000, -0.0032793500000000, 0.0073014700000000 ] - [ -0.0000111200000000, 0.0000028500000000, 0.0000142700000000 ] - [ -0.0100290700000000, 0.0017178900000000, 0.0012233800000000 ] - [ 0.0011831000000000, -0.0000432700000000, -0.0007979900000000 ] - [ 0.0000014300000000, -0.0200382800000000, 0.0000006800000000 ] - [ -0.0000001600000000, -0.0004534600000000, 0.0000043800000000 ] - [ 0.0000076500000000, 0.0132867800000000, 0.0000054400000000 ] - [ -0.0000004600000000, 0.0003230600000000, -0.0000054900000000 ] - [ -0.0001626900000000, 0.0253080600000000, 0.0003129000000000 ] - [ -0.0000130100000000, 0.0000579200000000, 0.0000126600000000 ] - [ 0.0000110100000000, -0.0011897200000000, -0.0000144400000000 ] - [ 0.0000147800000000, -0.0004537300000000, -0.0000138800000000 ] - [ 0.0000157600000000, 0.0020468200000000, 0.0000088800000000 ] - [ 0.0000121000000000, 0.0011108200000000, 0.0000094700000000 ] - [ -0.0000253900000000, -0.0089292700000000, 0.0000257000000000 ] - [ -0.0000126000000000, -0.0000234800000000, -0.0000107600000000 ] - [ 0.0000367000000000, -0.0000645900000000, -0.0000615700000000 ] - [ -0.0004511400000000, 0.0000346500000000, 0.0001057600000000 ] - [ 0.0004511400000000, 0.0000346500000000, -0.0001057600000000 ] - [ -0.0000367000000000, -0.0000645900000000, 0.0000615700000000 ] - [ -0.0006954100000000, -0.0032666200000000, 0.0072785100000000 ] - [ -0.0000235300000000, -0.0000073100000000, 0.0000030700000000 ] - [ 0.0011965700000000, -0.0000566000000000, -0.0007881700000000 ] - [ -0.0100184100000000, 0.0017293100000000, 0.0012539900000000 ] - [ 0.0308648900000000, 0.0604623200000000, 0.0073519600000000 ] - [ 0.0002002800000000, 0.0000440800000000, 0.0000372300000000 ] - [ -0.0308648900000000, 0.0604623200000000, -0.0073519600000000 ] - [ -0.0002002800000000, 0.0000440800000000, -0.0000372300000000 ] - [ -0.0011831000000000, -0.0000432700000000, 0.0007979900000000 ] - [ 0.0100290700000000, 0.0017178900000000, -0.0012233800000000 ] - [ 0.0007184600000000, -0.0032793500000000, -0.0073014700000000 ] - [ 0.0000111200000000, 0.0000028500000000, -0.0000142700000000 ] - [ -0.0000076500000000, 0.0132867800000000, -0.0000054400000000 ] - [ 0.0000004600000000, 0.0003230600000000, 0.0000054900000000 ] - [ -0.0000014300000000, -0.0200382800000000, -0.0000006800000000 ] - [ 0.0000001600000000, -0.0004534600000000, -0.0000043800000000 ] - [ -0.0000147800000000, -0.0004537300000000, 0.0000138800000000 ] - [ -0.0000110100000000, -0.0011897200000000, 0.0000144400000000 ] - [ 0.0001626900000000, 0.0253080600000000, -0.0003129000000000 ] - [ 0.0000130100000000, 0.0000579200000000, -0.0000126600000000 ] - [ 0.0000253900000000, -0.0089292700000000, -0.0000257000000000 ] - [ 0.0000126000000000, -0.0000234800000000, 0.0000107600000000 ] - [ -0.0000121000000000, 0.0011108200000000, -0.0000094700000000 ] - [ -0.0000157600000000, 0.0020468200000000, -0.0000088800000000 ] - [ 0.0079018200000000, 0.0019498500000000, -0.0083031000000000 ] - [ -0.0001461200000000, 0.0000087700000000, -0.0001119600000000 ] - [ -0.0079018200000000, 0.0019498500000000, 0.0083031000000000 ] - [ 0.0001461200000000, 0.0000087700000000, 0.0001119600000000 ] - [ 0.0000000000000000, -0.0075063100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000197700000000, 0.0000000000000000 ] - [ 0.0000022200000000, -0.0003991500000000, 0.0000019800000000 ] - [ -0.0000022200000000, -0.0003991500000000, -0.0000019800000000 ] - [ 0.0078416500000000, 0.0019946900000000, -0.0082748000000000 ] - [ -0.0001449900000000, 0.0000100000000000, -0.0001124800000000 ] - [ -0.0078416500000000, 0.0019946900000000, 0.0082748000000000 ] - [ 0.0001449900000000, 0.0000100000000000, 0.0001124800000000 ] - [ 0.0000017300000000, 0.0023706700000000, 0.0000002300000000 ] - [ -0.0000017300000000, 0.0023706700000000, -0.0000002300000000 ] - [ 0.0000000000000000, 0.0461877800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001104000000000, 0.0000000000000000 ] - [ 0.0270825300000000, 0.0074786900000000, 0.0248563200000000 ] - [ -0.0003865000000000, 0.0001129200000000, 0.0004394700000000 ] - [ -0.0270825300000000, 0.0074786900000000, -0.0248563200000000 ] - [ 0.0003865000000000, 0.0001129200000000, -0.0004394700000000 ] - [ 0.0000000000000000, -0.3460603400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004064900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0161145300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000645700000000, 0.0000000000000000 ] - [ 0.0269437400000000, 0.0073988400000000, 0.0247977400000000 ] - [ -0.0003854000000000, 0.0001135500000000, 0.0004414700000000 ] - [ -0.0269437400000000, 0.0073988400000000, -0.0247977400000000 ] - [ 0.0003854000000000, 0.0001135500000000, -0.0004414700000000 ] - [ 0.0000041100000000, 0.0011810700000000, -0.0000003100000000 ] - [ -0.0000041100000000, 0.0011810700000000, 0.0000003100000000 ] - [ 0.0000026500000000, -0.0083435400000000, -0.0000045000000000 ] - [ -0.0000026500000000, -0.0083435400000000, 0.0000045000000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0096811500000000, 0.0110407900000000, 0.0237566100000000 ] - [ -0.0000559100000000, -0.0000069800000000, 0.0000021600000000 ] - [ 0.0097205800000000, -0.0110774800000000, 0.0239389700000000 ] - [ -0.0000659500000000, 0.0000128600000000, 0.0000136100000000 ] - [ -0.0038553000000000, -0.0009285900000000, 0.0021401400000000 ] - [ -0.0000137300000000, 0.0003694700000000, 0.0007104000000000 ] - [ -0.0004520300000000, -0.0013280000000000, -0.0064301000000000 ] - [ -0.0000028700000000, -0.0000003800000000, -0.0000182000000000 ] - [ -0.0011699900000000, -0.0006022100000000, -0.0019026900000000 ] - [ 0.0001353000000000, 0.0001506500000000, -0.0003598500000000 ] - [ 0.0001429200000000, -0.0001561200000000, -0.0003723100000000 ] - [ -0.0011471300000000, 0.0005869800000000, -0.0019199900000000 ] - [ -0.0004520300000000, 0.0013280000000000, -0.0064301000000000 ] - [ -0.0000028700000000, 0.0000003800000000, -0.0000182000000000 ] - [ -0.0038553000000000, 0.0009285900000000, 0.0021401400000000 ] - [ -0.0000137300000000, -0.0003694700000000, 0.0007104000000000 ] - [ -0.0020054200000000, 0.0000000000000000, -0.0021975400000000 ] - [ 0.0000279400000000, 0.0000000000000000, 0.0000175500000000 ] - [ -0.0051575800000000, 0.0000000000000000, -0.0053116200000000 ] - [ 0.0000663400000000, 0.0000000000000000, -0.0000124700000000 ] - [ -0.0419948900000000, 0.0000000000000000, 0.0961653000000000 ] - [ -0.0001258100000000, 0.0000000000000000, 0.0000436100000000 ] - [ 0.0029929600000000, 0.0000000000000000, -0.0010760800000000 ] - [ -0.0003716500000000, 0.0000000000000000, -0.0000327200000000 ] - [ 0.0056335600000000, 0.0000000000000000, 0.0019470900000000 ] - [ -0.0007511500000000, 0.0000000000000000, -0.0003705100000000 ] - [ 0.0004151400000000, 0.0000000000000000, -0.0014480400000000 ] - [ -0.0001067000000000, 0.0000000000000000, -0.0000417200000000 ] - [ 0.0001429200000000, 0.0001561200000000, -0.0003723100000000 ] - [ -0.0011471300000000, -0.0005869800000000, -0.0019199900000000 ] - [ -0.0011699900000000, 0.0006022100000000, -0.0019026900000000 ] - [ 0.0001353000000000, -0.0001506500000000, -0.0003598500000000 ] - [ -0.0004187000000000, 0.0012898600000000, -0.0064634000000000 ] - [ -0.0000143000000000, -0.0000051000000000, -0.0000290100000000 ] - [ 0.0000019100000000, -0.0003769500000000, 0.0007164400000000 ] - [ -0.0038821600000000, 0.0009373900000000, 0.0021602200000000 ] - [ 0.0097205800000000, 0.0110774800000000, 0.0239389700000000 ] - [ -0.0000659500000000, -0.0000128600000000, 0.0000136100000000 ] - [ 0.0096811500000000, -0.0110407900000000, 0.0237566100000000 ] - [ -0.0000559100000000, 0.0000069800000000, 0.0000021600000000 ] - [ 0.0000019100000000, 0.0003769500000000, 0.0007164400000000 ] - [ -0.0038821600000000, -0.0009373900000000, 0.0021602200000000 ] - [ -0.0004187000000000, -0.0012898600000000, -0.0064634000000000 ] - [ -0.0000143000000000, 0.0000051000000000, -0.0000290100000000 ] - [ -0.0052290100000000, 0.0000000000000000, -0.0052891300000000 ] - [ 0.0000671600000000, 0.0000000000000000, -0.0000024700000000 ] - [ -0.0019820500000000, 0.0000000000000000, -0.0021760100000000 ] - [ 0.0000275900000000, 0.0000000000000000, 0.0000094600000000 ] - [ -0.0004013600000000, 0.0000000000000000, -0.0000017300000000 ] - [ 0.0029778600000000, 0.0000000000000000, -0.0010431200000000 ] - [ -0.0459719600000000, 0.0000000000000000, 0.1024641000000000 ] - [ -0.0000981600000000, 0.0000000000000000, 0.0000155600000000 ] - [ 0.0004463400000000, 0.0000000000000000, -0.0013910200000000 ] - [ -0.0000792400000000, 0.0000000000000000, -0.0000154100000000 ] - [ -0.0007758700000000, 0.0000000000000000, -0.0003890400000000 ] - [ 0.0056290800000000, 0.0000000000000000, 0.0019311600000000 ] - [ -0.0110483800000000, -0.0121130500000000, -0.0001540900000000 ] - [ 0.0002190400000000, -0.0000735100000000, 0.0000089100000000 ] - [ -0.0111289100000000, 0.0121512900000000, -0.0001624600000000 ] - [ 0.0002197000000000, 0.0000723800000000, 0.0000076600000000 ] - [ 0.0113323900000000, 0.0000000000000000, 0.0508033100000000 ] - [ 0.0000319700000000, 0.0000000000000000, 0.0000572400000000 ] - [ 0.0003048500000000, 0.0000000000000000, 0.0019883500000000 ] - [ 0.0002935900000000, 0.0000000000000000, 0.0019858700000000 ] - [ -0.0111289100000000, -0.0121512900000000, -0.0001624600000000 ] - [ 0.0002197000000000, -0.0000723800000000, 0.0000076600000000 ] - [ -0.0110483800000000, 0.0121130500000000, -0.0001540900000000 ] - [ 0.0002190400000000, 0.0000735100000000, 0.0000089100000000 ] - [ 0.0006354000000000, 0.0000000000000000, -0.0012413100000000 ] - [ 0.0006395400000000, 0.0000000000000000, -0.0012475000000000 ] - [ -0.0069854500000000, 0.0000000000000000, -0.0096693200000000 ] - [ 0.0000356100000000, 0.0000000000000000, -0.0000438100000000 ] - [ 0.0150886600000000, 0.0094337600000000, 0.0107861300000000 ] - [ -0.0002537400000000, 0.0000229000000000, -0.0000366300000000 ] - [ 0.0150138400000000, -0.0093494600000000, 0.0109057500000000 ] - [ -0.0002522600000000, -0.0000234600000000, -0.0000319800000000 ] - [ 0.0465822200000000, 0.0000000000000000, -0.3461286400000000 ] - [ 0.0001260100000000, 0.0000000000000000, -0.0001214600000000 ] - [ -0.0018733700000000, 0.0000000000000000, 0.0117762800000000 ] - [ 0.0000744100000000, 0.0000000000000000, 0.0001135300000000 ] - [ 0.0150138400000000, 0.0093494600000000, 0.0109057500000000 ] - [ -0.0002522600000000, 0.0000234600000000, -0.0000319800000000 ] - [ 0.0150886600000000, -0.0094337600000000, 0.0107861300000000 ] - [ -0.0002537400000000, -0.0000229000000000, -0.0000366300000000 ] - [ 0.0003782400000000, 0.0000000000000000, 0.0026408600000000 ] - [ 0.0003641300000000, 0.0000000000000000, 0.0026469200000000 ] - [ 0.0009470000000000, 0.0000000000000000, -0.0049369100000000 ] - [ 0.0009567800000000, 0.0000000000000000, -0.0049512100000000 ]