# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/5ce817c1-798d-4779-b7b9-188b9ab39917/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 LiSn(PO3)3 / P-6c2 (188) / materials id 26897](https://mdr.nims.go.jp/datasets/80f19945-95f2-400a-97e1-5cc7546e1e8f) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P-6c2" number: 188 Hall_symbol: "P -6c 2"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 6.501638000000000, 0.000000000000000, 0.000000000000000 ] # a - [ -3.250818990000000, 5.630583680000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.873383660000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.666666670000000, 0.333333330000000, 0.000000000000000 ] mass: 6.941000 - symbol: Li # 2 coordinates: [ 0.666666670000000, 0.333333330000000, 0.500000000000000 ] mass: 6.941000 - symbol: O # 3 coordinates: [ 0.209997490000000, 0.233034600000000, 0.250000000000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.023037120000000, 0.233034600000000, 0.750000000000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.766965400000000, 0.790002510000000, 0.750000000000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.766965400000000, 0.976962880000000, 0.250000000000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.637539080000000, 0.035488070000000, 0.618928160000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.637539080000000, 0.035488070000000, 0.881071840000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.023037120000000, 0.790002510000000, 0.250000000000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.397948980000000, 0.035488070000000, 0.381071840000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.397948980000000, 0.035488070000000, 0.118928160000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.964511930000000, 0.362460920000000, 0.118928160000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.964511930000000, 0.362460920000000, 0.381071840000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.209997490000000, 0.976962880000000, 0.750000000000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.964511930000000, 0.602051020000000, 0.881071840000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.964511930000000, 0.602051020000000, 0.618928160000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.397948980000000, 0.362460920000000, 0.618928160000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.397948980000000, 0.362460920000000, 0.881071840000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.637539080000000, 0.602051020000000, 0.381071840000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.637539080000000, 0.602051020000000, 0.118928160000000 ] mass: 15.999400 - symbol: P # 21 coordinates: [ 0.751046000000000, 0.028583150000000, 0.750000000000000 ] mass: 30.973762 - symbol: P # 22 coordinates: [ 0.971416850000000, 0.248954000000000, 0.250000000000000 ] mass: 30.973762 - symbol: P # 23 coordinates: [ 0.277537150000000, 0.028583150000000, 0.250000000000000 ] mass: 30.973762 - symbol: P # 24 coordinates: [ 0.277537150000000, 0.248954000000000, 0.750000000000000 ] mass: 30.973762 - symbol: P # 25 coordinates: [ 0.971416850000000, 0.722462850000000, 0.750000000000000 ] mass: 30.973762 - symbol: P # 26 coordinates: [ 0.751046000000000, 0.722462850000000, 0.250000000000000 ] mass: 30.973762 - symbol: Sn # 27 coordinates: [ 0.333333330000000, 0.666666670000000, 0.000000000000000 ] mass: 118.710000 - symbol: Sn # 28 coordinates: [ 0.333333330000000, 0.666666670000000, 0.500000000000000 ] mass: 118.710000 reciprocal_lattice: # without 2pi - [ 0.153807394382769, 0.088800740185772, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.177601480917872, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.101282400688155 ] # c*unit_cell: lattice: - [ 6.501638000000000, 0.000000000000000, 0.000000000000000 ] # a - [ -3.250818990000000, 5.630583680000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.873383660000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.666666670000000, 0.333333330000000, 0.000000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.666666670000000, 0.333333330000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.209997490000000, 0.233034600000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.023037120000000, 0.233034600000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.766965400000000, 0.790002510000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.766965400000000, 0.976962880000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.637539080000000, 0.035488070000000, 0.618928160000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.637539080000000, 0.035488070000000, 0.881071840000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.023037120000000, 0.790002510000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.397948980000000, 0.035488070000000, 0.381071840000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.397948980000000, 0.035488070000000, 0.118928160000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.964511930000000, 0.362460920000000, 0.118928160000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.964511930000000, 0.362460920000000, 0.381071840000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.209997490000000, 0.976962880000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.964511930000000, 0.602051020000000, 0.881071840000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.964511930000000, 0.602051020000000, 0.618928160000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.397948980000000, 0.362460920000000, 0.618928160000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.397948980000000, 0.362460920000000, 0.881071840000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.637539080000000, 0.602051020000000, 0.381071840000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.637539080000000, 0.602051020000000, 0.118928160000000 ] mass: 15.999400 reduced_to: 20 - symbol: P # 21 coordinates: [ 0.751046000000000, 0.028583150000000, 0.750000000000000 ] mass: 30.973762 reduced_to: 21 - symbol: P # 22 coordinates: [ 0.971416850000000, 0.248954000000000, 0.250000000000000 ] mass: 30.973762 reduced_to: 22 - symbol: P # 23 coordinates: [ 0.277537150000000, 0.028583150000000, 0.250000000000000 ] mass: 30.973762 reduced_to: 23 - symbol: P # 24 coordinates: [ 0.277537150000000, 0.248954000000000, 0.750000000000000 ] mass: 30.973762 reduced_to: 24 - symbol: P # 25 coordinates: [ 0.971416850000000, 0.722462850000000, 0.750000000000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 26 coordinates: [ 0.751046000000000, 0.722462850000000, 0.250000000000000 ] mass: 30.973762 reduced_to: 26 - symbol: Sn # 27 coordinates: [ 0.333333330000000, 0.666666670000000, 0.000000000000000 ] mass: 118.710000 reduced_to: 27 - symbol: Sn # 28 coordinates: [ 0.333333330000000, 0.666666670000000, 0.500000000000000 ] mass: 118.710000 reduced_to: 28supercell: lattice: - [ 13.003276000000000, 0.000000000000000, 0.000000000000000 ] # a - [ -6.501637980000000, 11.261167360000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.873383660000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.333333335000000, 0.166666665000000, 0.000000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.833333335000000, 0.166666665000000, 0.000000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 3 coordinates: [ 0.333333335000000, 0.666666665000000, 0.000000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 4 coordinates: [ 0.833333335000000, 0.666666665000000, 0.000000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 5 coordinates: [ 0.333333335000000, 0.166666665000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 6 coordinates: [ 0.833333335000000, 0.166666665000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 7 coordinates: [ 0.333333335000000, 0.666666665000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 8 coordinates: [ 0.833333335000000, 0.666666665000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 5 - symbol: O # 9 coordinates: [ 0.104998745000000, 0.116517300000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.604998745000000, 0.116517300000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 11 coordinates: [ 0.104998745000000, 0.616517300000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 12 coordinates: [ 0.604998745000000, 0.616517300000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 13 coordinates: [ 0.011518560000000, 0.116517300000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.511518560000000, 0.116517300000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.011518560000000, 0.616517300000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 16 coordinates: [ 0.511518560000000, 0.616517300000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 17 coordinates: [ 0.383482700000000, 0.395001255000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.883482700000000, 0.395001255000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 19 coordinates: [ 0.383482700000000, 0.895001255000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 20 coordinates: [ 0.883482700000000, 0.895001255000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 21 coordinates: [ 0.383482700000000, 0.488481440000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.883482700000000, 0.488481440000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 23 coordinates: [ 0.383482700000000, 0.988481440000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 24 coordinates: [ 0.883482700000000, 0.988481440000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 25 coordinates: [ 0.318769540000000, 0.017744035000000, 0.618928160000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.818769540000000, 0.017744035000000, 0.618928160000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.318769540000000, 0.517744035000000, 0.618928160000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 28 coordinates: [ 0.818769540000000, 0.517744035000000, 0.618928160000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 29 coordinates: [ 0.318769540000000, 0.017744035000000, 0.881071840000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.818769540000000, 0.017744035000000, 0.881071840000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 31 coordinates: [ 0.318769540000000, 0.517744035000000, 0.881071840000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 32 coordinates: [ 0.818769540000000, 0.517744035000000, 0.881071840000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 33 coordinates: [ 0.011518560000000, 0.395001255000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.511518560000000, 0.395001255000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.011518560000000, 0.895001255000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 36 coordinates: [ 0.511518560000000, 0.895001255000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 37 coordinates: [ 0.198974490000000, 0.017744035000000, 0.381071840000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.698974490000000, 0.017744035000000, 0.381071840000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.198974490000000, 0.517744035000000, 0.381071840000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 40 coordinates: [ 0.698974490000000, 0.517744035000000, 0.381071840000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 41 coordinates: [ 0.198974490000000, 0.017744035000000, 0.118928160000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.698974490000000, 0.017744035000000, 0.118928160000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.198974490000000, 0.517744035000000, 0.118928160000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 44 coordinates: [ 0.698974490000000, 0.517744035000000, 0.118928160000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 45 coordinates: [ 0.482255965000000, 0.181230460000000, 0.118928160000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.982255965000000, 0.181230460000000, 0.118928160000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.482255965000000, 0.681230460000000, 0.118928160000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 48 coordinates: [ 0.982255965000000, 0.681230460000000, 0.118928160000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 49 coordinates: [ 0.482255965000000, 0.181230460000000, 0.381071840000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.982255965000000, 0.181230460000000, 0.381071840000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.482255965000000, 0.681230460000000, 0.381071840000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.982255965000000, 0.681230460000000, 0.381071840000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.104998745000000, 0.488481440000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.604998745000000, 0.488481440000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.104998745000000, 0.988481440000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 56 coordinates: [ 0.604998745000000, 0.988481440000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 57 coordinates: [ 0.482255965000000, 0.301025510000000, 0.881071840000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.982255965000000, 0.301025510000000, 0.881071840000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.482255965000000, 0.801025510000000, 0.881071840000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 60 coordinates: [ 0.982255965000000, 0.801025510000000, 0.881071840000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 61 coordinates: [ 0.482255965000000, 0.301025510000000, 0.618928160000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.982255965000000, 0.301025510000000, 0.618928160000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.482255965000000, 0.801025510000000, 0.618928160000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.982255965000000, 0.801025510000000, 0.618928160000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 65 coordinates: [ 0.198974490000000, 0.181230460000000, 0.618928160000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.698974490000000, 0.181230460000000, 0.618928160000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.198974490000000, 0.681230460000000, 0.618928160000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 68 coordinates: [ 0.698974490000000, 0.681230460000000, 0.618928160000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 69 coordinates: [ 0.198974490000000, 0.181230460000000, 0.881071840000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.698974490000000, 0.181230460000000, 0.881071840000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.198974490000000, 0.681230460000000, 0.881071840000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 72 coordinates: [ 0.698974490000000, 0.681230460000000, 0.881071840000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 73 coordinates: [ 0.318769540000000, 0.301025510000000, 0.381071840000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.818769540000000, 0.301025510000000, 0.381071840000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.318769540000000, 0.801025510000000, 0.381071840000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.818769540000000, 0.801025510000000, 0.381071840000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.318769540000000, 0.301025510000000, 0.118928160000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.818769540000000, 0.301025510000000, 0.118928160000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.318769540000000, 0.801025510000000, 0.118928160000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 80 coordinates: [ 0.818769540000000, 0.801025510000000, 0.118928160000000 ] mass: 15.999400 reduced_to: 77 - symbol: P # 81 coordinates: [ 0.375523000000000, 0.014291575000000, 0.750000000000000 ] mass: 30.973762 reduced_to: 81 - symbol: P # 82 coordinates: [ 0.875523000000000, 0.014291575000000, 0.750000000000000 ] mass: 30.973762 reduced_to: 81 - symbol: P # 83 coordinates: [ 0.375523000000000, 0.514291575000000, 0.750000000000000 ] mass: 30.973762 reduced_to: 81 - symbol: P # 84 coordinates: [ 0.875523000000000, 0.514291575000000, 0.750000000000000 ] mass: 30.973762 reduced_to: 81 - symbol: P # 85 coordinates: [ 0.485708425000000, 0.124477000000000, 0.250000000000000 ] mass: 30.973762 reduced_to: 85 - symbol: P # 86 coordinates: [ 0.985708425000000, 0.124477000000000, 0.250000000000000 ] mass: 30.973762 reduced_to: 85 - symbol: P # 87 coordinates: [ 0.485708425000000, 0.624477000000000, 0.250000000000000 ] mass: 30.973762 reduced_to: 85 - symbol: P # 88 coordinates: [ 0.985708425000000, 0.624477000000000, 0.250000000000000 ] mass: 30.973762 reduced_to: 85 - symbol: P # 89 coordinates: [ 0.138768575000000, 0.014291575000000, 0.250000000000000 ] mass: 30.973762 reduced_to: 89 - symbol: P # 90 coordinates: [ 0.638768575000000, 0.014291575000000, 0.250000000000000 ] mass: 30.973762 reduced_to: 89 - symbol: P # 91 coordinates: [ 0.138768575000000, 0.514291575000000, 0.250000000000000 ] mass: 30.973762 reduced_to: 89 - symbol: P # 92 coordinates: [ 0.638768575000000, 0.514291575000000, 0.250000000000000 ] mass: 30.973762 reduced_to: 89 - symbol: P # 93 coordinates: [ 0.138768575000000, 0.124477000000000, 0.750000000000000 ] mass: 30.973762 reduced_to: 93 - symbol: P # 94 coordinates: [ 0.638768575000000, 0.124477000000000, 0.750000000000000 ] mass: 30.973762 reduced_to: 93 - symbol: P # 95 coordinates: [ 0.138768575000000, 0.624477000000000, 0.750000000000000 ] mass: 30.973762 reduced_to: 93 - symbol: P # 96 coordinates: [ 0.638768575000000, 0.624477000000000, 0.750000000000000 ] mass: 30.973762 reduced_to: 93 - symbol: P # 97 coordinates: [ 0.485708425000000, 0.361231425000000, 0.750000000000000 ] mass: 30.973762 reduced_to: 97 - symbol: P # 98 coordinates: [ 0.985708425000000, 0.361231425000000, 0.750000000000000 ] mass: 30.973762 reduced_to: 97 - symbol: P # 99 coordinates: [ 0.485708425000000, 0.861231425000000, 0.750000000000000 ] mass: 30.973762 reduced_to: 97 - symbol: P # 100 coordinates: [ 0.985708425000000, 0.861231425000000, 0.750000000000000 ] mass: 30.973762 reduced_to: 97 - symbol: P # 101 coordinates: [ 0.375523000000000, 0.361231425000000, 0.250000000000000 ] mass: 30.973762 reduced_to: 101 - symbol: P # 102 coordinates: [ 0.875523000000000, 0.361231425000000, 0.250000000000000 ] mass: 30.973762 reduced_to: 101 - symbol: P # 103 coordinates: [ 0.375523000000000, 0.861231425000000, 0.250000000000000 ] mass: 30.973762 reduced_to: 101 - symbol: P # 104 coordinates: [ 0.875523000000000, 0.861231425000000, 0.250000000000000 ] mass: 30.973762 reduced_to: 101 - symbol: Sn # 105 coordinates: [ 0.166666665000000, 0.333333335000000, 0.000000000000000 ] mass: 118.710000 reduced_to: 105 - symbol: Sn # 106 coordinates: [ 0.666666665000000, 0.333333335000000, 0.000000000000000 ] mass: 118.710000 reduced_to: 105 - symbol: Sn # 107 coordinates: [ 0.166666665000000, 0.833333335000000, 0.000000000000000 ] mass: 118.710000 reduced_to: 105 - symbol: Sn # 108 coordinates: [ 0.666666665000000, 0.833333335000000, 0.000000000000000 ] mass: 118.710000 reduced_to: 105 - symbol: Sn # 109 coordinates: [ 0.166666665000000, 0.333333335000000, 0.500000000000000 ] mass: 118.710000 reduced_to: 109 - symbol: Sn # 110 coordinates: [ 0.666666665000000, 0.333333335000000, 0.500000000000000 ] mass: 118.710000 reduced_to: 109 - symbol: Sn # 111 coordinates: [ 0.166666665000000, 0.833333335000000, 0.500000000000000 ] mass: 118.710000 reduced_to: 109 - symbol: Sn # 112 coordinates: [ 0.666666665000000, 0.833333335000000, 0.500000000000000 ] mass: 118.710000 reduced_to: 109born_effective_charge:- # 1 (Li) - [ 1.327704150000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.327704150000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.190987740000000 ]- # 2 (Li) - [ 1.327704150000000, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.327704150000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.190987740000000 ]- # 3 (O) - [ -2.770615410000000, 0.745749750000000, 0.000000000000000 ] - [ 1.408742090000000, -1.728228330000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.940157840000000 ]- # 4 (O) - [ -2.770615412648925, -0.745749750000000, 0.000000000000000 ] - [ -1.408742086297410, -1.728228327351075, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.940157840000000 ]- # 5 (O) - [ -2.921747429327494, 1.321485978323861, 0.000000000000000 ] - [ 0.658493638311931, -1.577096310672506, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.940157840000000 ]- # 6 (O) - [ -1.055902767744775, -0.418752283244890, 0.000000000000000 ] - [ 0.244240053059240, -3.442940972255226, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.940157840000000 ]- # 7 (O) - [ -1.486282060000000, -0.196517280000000, -0.741140770000000 ] - [ -0.328327560000000, -1.486771030000000, -0.434495430000000 ] - [ -0.694765330000000, -0.541420840000000, -2.141617600000000 ]- # 8 (O) - [ -1.486282060000000, -0.196517280000000, 0.741140770000000 ] - [ -0.328327560000000, -1.486771030000000, 0.434495430000000 ] - [ 0.694765330000000, 0.541420840000000, -2.141617600000000 ]- # 9 (O) - [ -2.921747434021452, -1.321485978323861, 0.000000000000000 ] - [ -0.658493633535691, -1.577096305978548, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.940157840000000 ]- # 10 (O) - [ -1.486282059301965, 0.196517280000000, -0.741140770000000 ] - [ 0.328327559998263, -1.486771030698035, 0.434495432632554 ] - [ -0.694765328076857, 0.541420840000000, -2.141617600000000 ]- # 11 (O) - [ -1.486282059301965, 0.196517280000000, 0.741140770000000 ] - [ 0.328327559998263, -1.486771030698035, -0.434495432632554 ] - [ 0.694765328076857, -0.541420840000000, -2.141617600000000 ]- # 12 (O) - [ -1.259384305724064, -0.197328081029082, 0.005713696735094 ] - [ -0.065517801026809, -1.713668784275936, 0.859094449588360 ] - [ 0.121501538126343, 0.872394845234626, -2.141617600000000 ]- # 13 (O) - [ -1.259384305724064, -0.197328081029082, -0.005713696735094 ] - [ -0.065517801026809, -1.713668784275936, -0.859094449588360 ] - [ -0.121501538126343, -0.872394845234626, -2.141617600000000 ]- # 14 (O) - [ -1.055902766257354, 0.418752283244890, 0.000000000000000 ] - [ -0.244240061538070, -3.442940973742646, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.940157840000000 ]- # 15 (O) - [ -1.713913269625706, 0.196904619982442, -0.746854466735094 ] - [ 0.065094339981908, -1.259139820374295, 0.424599019608655 ] - [ -0.816266865027571, 0.330974005234626, -2.141617600000000 ]- # 16 (O) - [ -1.713913269625706, 0.196904619982442, 0.746854466735094 ] - [ 0.065094339981908, -1.259139820374295, -0.424599019608655 ] - [ 0.816266865027571, -0.330974005234626, -2.141617600000000 ]- # 17 (O) - [ -1.259384305023149, 0.197328081029082, -0.005713696735094 ] - [ 0.065517799413177, -1.713668784976851, 0.859094449608655 ] - [ -0.121501535027571, 0.872394845234627, -2.141617600000000 ]- # 18 (O) - [ -1.259384305023149, 0.197328081029082, 0.005713696735094 ] - [ 0.065517799413177, -1.713668784976851, -0.859094449608655 ] - [ 0.121501535027571, -0.872394845234627, -2.141617600000000 ]- # 19 (O) - [ -1.713913270325117, -0.196904619982442, 0.746854466735094 ] - [ -0.065094338366539, -1.259139819674883, 0.424599016955806 ] - [ 0.816266866203200, 0.330974005234626, -2.141617600000000 ]- # 20 (O) - [ -1.713913270325117, -0.196904619982442, -0.746854466735094 ] - [ -0.065094338366539, -1.259139819674883, -0.424599016955806 ] - [ -0.816266866203200, -0.330974005234626, -2.141617600000000 ]- # 21 (P) - [ 4.336412870000000, -0.353426540000000, 0.000000000000000 ] - [ 0.800764250000000, 2.932914640000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.843626140000000 ]- # 22 (P) - [ 3.090086285271735, 0.081197263762820, 0.000000000000000 ] - [ -1.072993526235609, 4.179241224728266, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.843626140000000 ]- # 23 (P) - [ 4.336412871255382, 0.353426540000000, 0.000000000000000 ] - [ -0.800764254985267, 2.932914638744618, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.843626140000000 ]- # 24 (P) - [ 3.090086284983320, -0.081197263762820, 0.000000000000000 ] - [ 1.072993530104320, 4.179241225016680, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.843626140000000 ]- # 25 (P) - [ 3.477492106941890, -1.296662387446332, 0.000000000000000 ] - [ -0.142471592455621, 3.791835403058110, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.843626140000000 ]- # 26 (P) - [ 3.477492111547673, 1.296662387446332, 0.000000000000000 ] - [ 0.142471593572178, 3.791835398452327, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.843626140000000 ]- # 27 (Sn) - [ 3.435729450000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 3.435729450000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.948312950000000 ]- # 28 (Sn) - [ 3.435729449999999, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 3.435729450000001, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.948312950000000 ]dielectric_constant: - [ 3.121304070000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 3.121304070000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.327546120000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0149603100000000, -0.0000461700000000, -0.0000045100000000 ] - [ 0.0009980000000000, -0.0000003200000000, -0.0000502300000000 ] - [ 0.0000437700000000, -0.0005503500000000, 0.0000248600000000 ] - [ 0.0000430100000000, 0.0005505200000000, 0.0000257800000000 ] - [ -0.0016347100000000, 0.0000000800000000, 0.0000001700000000 ] - [ 0.0007305000000000, 0.0000000000000000, 0.0000647200000000 ] - [ 0.0000507200000000, -0.0003923100000000, -0.0000320900000000 ] - [ 0.0000506800000000, 0.0003926400000000, -0.0000325700000000 ] - [ -0.0009904900000000, -0.0002967500000000, 0.0007735200000000 ] - [ -0.0043204000000000, 0.0026439800000000, -0.0014112200000000 ] - [ -0.0009046700000000, 0.0004377100000000, 0.0000851700000000 ] - [ 0.0011185500000000, -0.0001273400000000, -0.0000777600000000 ] - [ -0.0043810600000000, -0.0024449300000000, -0.0014086100000000 ] - [ -0.0010496300000000, 0.0005019400000000, 0.0007760200000000 ] - [ -0.0009772000000000, -0.0002445200000000, 0.0000856200000000 ] - [ 0.0010462600000000, 0.0003230100000000, -0.0000770700000000 ] - [ 0.0029848800000000, -0.0009538600000000, 0.0002937200000000 ] - [ -0.0014610000000000, 0.0005496000000000, 0.0000192000000000 ] - [ -0.0015847000000000, 0.0011443300000000, 0.0004243400000000 ] - [ -0.0004162800000000, -0.0008719900000000, -0.0000173700000000 ] - [ 0.0002258900000000, 0.0030921800000000, 0.0009830700000000 ] - [ -0.0004289600000000, -0.0005558800000000, -0.0001043500000000 ] - [ -0.0001896800000000, 0.0037588900000000, -0.0010714000000000 ] - [ -0.0006202800000000, -0.0009694300000000, 0.0000943300000000 ] - [ 0.0007919900000000, 0.0002832000000000, 0.0020097300000000 ] - [ -0.0010549300000000, -0.0004668900000000, -0.0006259900000000 ] - [ 0.0004612000000000, 0.0002584200000000, 0.0001513400000000 ] - [ -0.0004507200000000, -0.0003172800000000, -0.0001005800000000 ] - [ 0.0025838200000000, 0.0025814000000000, 0.0012917900000000 ] - [ -0.0009470800000000, -0.0003820600000000, 0.0004457700000000 ] - [ 0.0006926300000000, 0.0007639700000000, -0.0008791400000000 ] - [ -0.0008937100000000, -0.0011397200000000, 0.0011743000000000 ] - [ -0.0013252300000000, -0.0007076800000000, 0.0000183000000000 ] - [ 0.0031253300000000, 0.0007982800000000, 0.0002929900000000 ] - [ -0.0014698400000000, -0.0013103300000000, 0.0004320700000000 ] - [ -0.0002811500000000, 0.0007189300000000, -0.0000176900000000 ] - [ 0.0008037500000000, -0.0001998200000000, 0.0020836400000000 ] - [ -0.0010437000000000, 0.0005517900000000, -0.0005630800000000 ] - [ -0.0004383900000000, 0.0003988000000000, -0.0000373300000000 ] - [ 0.0004745900000000, -0.0001765000000000, 0.0002146200000000 ] - [ 0.0025630000000000, -0.0025309900000000, 0.0012544600000000 ] - [ -0.0009357200000000, 0.0004672800000000, 0.0003810500000000 ] - [ -0.0008787300000000, 0.0012168200000000, 0.0011052500000000 ] - [ 0.0007080500000000, -0.0006840000000000, -0.0009457800000000 ] - [ -0.0007887700000000, -0.0005620700000000, -0.0028349400000000 ] - [ -0.0009396400000000, -0.0003923400000000, 0.0004871500000000 ] - [ 0.0000559400000000, 0.0004545600000000, -0.0001444000000000 ] - [ 0.0000330200000000, 0.0000128900000000, -0.0002950200000000 ] - [ 0.0002567900000000, -0.0000667600000000, -0.0038865600000000 ] - [ -0.0006448000000000, 0.0000653000000000, 0.0004327100000000 ] - [ 0.0000471100000000, 0.0005633600000000, 0.0002512100000000 ] - [ -0.0000706900000000, -0.0001500600000000, 0.0000709700000000 ] - [ -0.0002256300000000, 0.0005145300000000, -0.0001040200000000 ] - [ 0.0004283400000000, -0.0031152600000000, 0.0009803600000000 ] - [ 0.0000157100000000, -0.0037763100000000, -0.0010648100000000 ] - [ -0.0004139800000000, 0.0009390700000000, 0.0000954400000000 ] - [ 0.0025843800000000, -0.0014252600000000, 0.0016145700000000 ] - [ -0.0014336600000000, 0.0001980300000000, -0.0008414800000000 ] - [ -0.0004167900000000, 0.0004224300000000, -0.0002668500000000 ] - [ 0.0001644800000000, -0.0008628000000000, 0.0004230400000000 ] - [ 0.0006778200000000, -0.0003167700000000, 0.0018219400000000 ] - [ -0.0006974700000000, 0.0002168400000000, -0.0000032000000000 ] - [ -0.0004541900000000, 0.0004116500000000, 0.0003417300000000 ] - [ 0.0001557500000000, -0.0008874100000000, -0.0006169400000000 ] - [ 0.0003316000000000, 0.0000359900000000, -0.0039242300000000 ] - [ -0.0005692500000000, -0.0000959000000000, 0.0003732600000000 ] - [ 0.0000037100000000, 0.0001163700000000, 0.0000107700000000 ] - [ 0.0001222300000000, -0.0005925300000000, 0.0001895700000000 ] - [ -0.0009548300000000, 0.0005387000000000, -0.0029280700000000 ] - [ -0.0008659500000000, 0.0003630700000000, 0.0005523700000000 ] - [ 0.0001091500000000, -0.0000487400000000, -0.0002369900000000 ] - [ 0.0001309700000000, -0.0004837700000000, -0.0000813200000000 ] - [ 0.0007430900000000, 0.0002624400000000, 0.0018958700000000 ] - [ -0.0006315500000000, -0.0002712300000000, 0.0000600900000000 ] - [ 0.0002215700000000, 0.0008369900000000, -0.0005546800000000 ] - [ -0.0003918500000000, -0.0004654100000000, 0.0004074200000000 ] - [ 0.0025893000000000, 0.0014397200000000, 0.0016071400000000 ] - [ -0.0013690900000000, -0.0002519600000000, -0.0009074400000000 ] - [ 0.0002325500000000, 0.0008122000000000, 0.0003620100000000 ] - [ -0.0003534700000000, -0.0004758700000000, -0.0003336100000000 ] - [ 0.0015527300000000, -0.0020897900000000, -0.0052328500000000 ] - [ 0.0030045900000000, 0.0020668100000000, -0.0000263600000000 ] - [ -0.0018977700000000, -0.0001259000000000, 0.0008238200000000 ] - [ 0.0018473000000000, -0.0001410200000000, -0.0008682200000000 ] - [ 0.0028224100000000, -0.0061735800000000, 0.0096496400000000 ] - [ 0.0022557000000000, 0.0006836800000000, -0.0009947300000000 ] - [ -0.0010103600000000, -0.0019292300000000, 0.0000405300000000 ] - [ 0.0007884000000000, 0.0006863100000000, 0.0001915900000000 ] - [ 0.0016509900000000, 0.0019710700000000, -0.0052455400000000 ] - [ 0.0030778400000000, -0.0021719300000000, -0.0000235800000000 ] - [ 0.0019111600000000, 0.0000444600000000, -0.0008644100000000 ] - [ -0.0018372400000000, 0.0000258300000000, 0.0008257000000000 ] - [ 0.0027584200000000, 0.0062646700000000, 0.0096173400000000 ] - [ 0.0022055200000000, -0.0005821800000000, -0.0010026100000000 ] - [ 0.0007415400000000, -0.0005726400000000, 0.0001941800000000 ] - [ -0.0010602800000000, 0.0020305600000000, 0.0000392800000000 ] - [ -0.0048820800000000, 0.0031055300000000, -0.0043750400000000 ] - [ 0.0018457700000000, -0.0013279600000000, 0.0006719800000000 ] - [ 0.0011766800000000, -0.0014857400000000, -0.0000166300000000 ] - [ 0.0007220200000000, 0.0031843400000000, 0.0001744400000000 ] - [ -0.0050145700000000, -0.0031416500000000, -0.0044143300000000 ] - [ 0.0017281400000000, 0.0013241200000000, 0.0006746700000000 ] - [ 0.0006061400000000, -0.0032048900000000, 0.0001730500000000 ] - [ 0.0010708100000000, 0.0014757600000000, -0.0000139200000000 ] - [ 0.0057261200000000, -0.0050448100000000, -0.0006605600000000 ] - [ 0.0057505600000000, 0.0050835800000000, -0.0006697600000000 ] - [ -0.0030329600000000, 0.0000145200000000, 0.0013303500000000 ] - [ 0.0007980600000000, -0.0000022200000000, -0.0000000700000000 ] - [ 0.0009191200000000, -0.0013511400000000, 0.0001475900000000 ] - [ 0.0009164000000000, 0.0013549100000000, 0.0001510000000000 ] - [ -0.0014257900000000, 0.0000021500000000, -0.0002986300000000 ] - [ 0.0007446900000000, -0.0000019700000000, -0.0000000400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0181003700000000 ] - [ -0.0000509600000000, -0.0000001100000000, -0.0002057100000000 ] - [ 0.0000255800000000, -0.0000440800000000, -0.0002057100000000 ] - [ 0.0000253800000000, 0.0000441900000000, -0.0002057100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017101900000000 ] - [ -0.0000644500000000, -0.0000003400000000, 0.0002433200000000 ] - [ 0.0000325200000000, -0.0000556500000000, 0.0002433200000000 ] - [ 0.0000319300000000, 0.0000559900000000, 0.0002433200000000 ] - [ 0.0023787600000000, -0.0004712100000000, -0.0007019200000000 ] - [ -0.0031893900000000, 0.0016150400000000, -0.0010469600000000 ] - [ -0.0000512500000000, 0.0001321400000000, 0.0000388700000000 ] - [ -0.0002144700000000, -0.0004861800000000, 0.0000321900000000 ] - [ -0.0032620100000000, -0.0014389800000000, -0.0010488100000000 ] - [ 0.0023106900000000, 0.0006535300000000, -0.0007031900000000 ] - [ -0.0001182000000000, 0.0000495400000000, 0.0000384000000000 ] - [ -0.0002817500000000, 0.0006666700000000, 0.0000321500000000 ] - [ -0.0017213200000000, 0.0016743500000000, -0.0007031900000000 ] - [ 0.0000161900000000, -0.0001271300000000, 0.0000384000000000 ] - [ 0.0028772000000000, -0.0021055000000000, -0.0010488100000000 ] - [ -0.0004364800000000, -0.0005773400000000, 0.0000321500000000 ] - [ 0.0001960300000000, -0.0035696100000000, -0.0010469600000000 ] - [ -0.0000888100000000, -0.0001104500000000, 0.0000388700000000 ] - [ -0.0007813000000000, 0.0022956700000000, -0.0007019200000000 ] - [ 0.0005282800000000, 0.0000573600000000, 0.0000321900000000 ] - [ -0.0000472300000000, -0.0006420400000000, -0.0026190600000000 ] - [ -0.0005667100000000, -0.0003358800000000, -0.0005240500000000 ] - [ -0.0005966500000000, 0.0002045600000000, -0.0005090200000000 ] - [ 0.0000327300000000, -0.0001420200000000, -0.0001342600000000 ] - [ 0.0012570000000000, -0.0038776900000000, 0.0004523500000000 ] - [ -0.0004336400000000, -0.0002289800000000, 0.0004379900000000 ] - [ -0.0005895800000000, 0.0000762900000000, 0.0005532300000000 ] - [ -0.0001222300000000, -0.0004438100000000, 0.0003956300000000 ] - [ 0.0001400600000000, -0.0000216900000000, 0.0000388700000000 ] - [ -0.0015974600000000, -0.0018244600000000, -0.0007019200000000 ] - [ 0.0029933600000000, 0.0019545700000000, -0.0010469600000000 ] - [ -0.0003138100000000, 0.0004288200000000, 0.0000321900000000 ] - [ -0.0000434800000000, 0.0007220700000000, -0.0025621600000000 ] - [ -0.0005654700000000, 0.0004059100000000, -0.0004745700000000 ] - [ 0.0000341800000000, 0.0002125500000000, -0.0000830000000000 ] - [ -0.0005964500000000, -0.0001336600000000, -0.0004590100000000 ] - [ 0.0012251900000000, 0.0038848100000000, 0.0004891600000000 ] - [ -0.0004327900000000, 0.0002992300000000, 0.0003886300000000 ] - [ -0.0001216600000000, 0.0005156800000000, 0.0003464000000000 ] - [ -0.0005898500000000, -0.0000048600000000, 0.0005051800000000 ] - [ -0.0039769400000000, -0.0008813700000000, 0.0004891600000000 ] - [ 0.0002991300000000, -0.0005083900000000, 0.0005051800000000 ] - [ -0.0000427400000000, -0.0005244200000000, 0.0003886300000000 ] - [ -0.0003857600000000, -0.0003632000000000, 0.0003464000000000 ] - [ -0.0006035900000000, -0.0003986900000000, -0.0025621600000000 ] - [ 0.0004139800000000, -0.0004497100000000, -0.0004590100000000 ] - [ -0.0000687900000000, -0.0006926700000000, -0.0004745700000000 ] - [ -0.0002011600000000, -0.0000766700000000, -0.0000830000000000 ] - [ 0.0001020000000000, 0.0000775900000000, 0.0000384000000000 ] - [ 0.0003848100000000, 0.0035444800000000, -0.0010488100000000 ] - [ -0.0005893700000000, -0.0023278800000000, -0.0007031900000000 ] - [ 0.0007182300000000, -0.0000893300000000, 0.0000321500000000 ] - [ 0.0027296800000000, 0.0030274400000000, 0.0004523500000000 ] - [ 0.0004454600000000, 0.0001160500000000, 0.0003956300000000 ] - [ 0.0004151200000000, -0.0002610500000000, 0.0004379900000000 ] - [ 0.0002287300000000, -0.0005487400000000, 0.0005532300000000 ] - [ 0.0005796400000000, 0.0002801200000000, -0.0026190600000000 ] - [ 0.0001066300000000, 0.0000993500000000, -0.0001342600000000 ] - [ 0.0005742300000000, -0.0003228400000000, -0.0005240500000000 ] - [ 0.0001211700000000, -0.0006190000000000, -0.0005090200000000 ] - [ -0.0005324100000000, 0.0003619200000000, -0.0026190600000000 ] - [ 0.0004754800000000, 0.0004144400000000, -0.0005090200000000 ] - [ -0.0001393600000000, 0.0000426700000000, -0.0001342600000000 ] - [ -0.0000075300000000, 0.0006587200000000, -0.0005240500000000 ] - [ -0.0039866800000000, 0.0008502500000000, 0.0004523500000000 ] - [ 0.0003608600000000, 0.0004724500000000, 0.0005532300000000 ] - [ -0.0003232300000000, 0.0003277500000000, 0.0003956300000000 ] - [ 0.0000185200000000, 0.0004900300000000, 0.0004379900000000 ] - [ 0.0006470700000000, -0.0003233800000000, -0.0025621600000000 ] - [ 0.0001669800000000, -0.0001358800000000, -0.0000830000000000 ] - [ 0.0001824700000000, 0.0005833700000000, -0.0004590100000000 ] - [ 0.0006342700000000, 0.0002867600000000, -0.0004745700000000 ] - [ 0.0027517600000000, -0.0030034500000000, 0.0004891600000000 ] - [ 0.0005074200000000, -0.0001524800000000, 0.0003464000000000 ] - [ 0.0002907200000000, 0.0005132500000000, 0.0005051800000000 ] - [ 0.0004755300000000, 0.0002251900000000, 0.0003886300000000 ] - [ -0.0054255200000000, 0.0022483800000000, 0.0077506000000000 ] - [ 0.0018587200000000, 0.0010529000000000, -0.0001267300000000 ] - [ 0.0020443300000000, -0.0021471900000000, -0.0001366000000000 ] - [ -0.0000209000000000, -0.0001349000000000, -0.0001697600000000 ] - [ 0.0047655000000000, -0.0034692100000000, 0.0077625000000000 ] - [ -0.0028291800000000, 0.0008010900000000, -0.0001391300000000 ] - [ 0.0000380100000000, 0.0022364400000000, -0.0001263900000000 ] - [ -0.0000489300000000, 0.0000170700000000, -0.0001719700000000 ] - [ -0.0053871800000000, -0.0023924400000000, 0.0077625000000000 ] - [ 0.0019178100000000, -0.0011511400000000, -0.0001263900000000 ] - [ 0.0000392500000000, 0.0000338400000000, -0.0001719700000000 ] - [ 0.0021083600000000, 0.0020495900000000, -0.0001391300000000 ] - [ 0.0046599100000000, 0.0035744500000000, 0.0077506000000000 ] - [ -0.0028816800000000, -0.0006968400000000, -0.0001366000000000 ] - [ -0.0001063800000000, 0.0000855500000000, -0.0001697600000000 ] - [ -0.0000175200000000, -0.0021361500000000, -0.0001267300000000 ] - [ 0.0007656100000000, -0.0058228300000000, 0.0077506000000000 ] - [ 0.0001272700000000, 0.0000493500000000, -0.0001697600000000 ] - [ -0.0018412000000000, 0.0010832500000000, -0.0001267300000000 ] - [ 0.0008373500000000, 0.0028440300000000, -0.0001366000000000 ] - [ 0.0006216700000000, 0.0058616500000000, 0.0077625000000000 ] - [ 0.0000096800000000, -0.0000509100000000, -0.0001719700000000 ] - [ 0.0007208200000000, -0.0028506900000000, -0.0001391300000000 ] - [ -0.0019558200000000, -0.0010853000000000, -0.0001263900000000 ] - [ -0.0008293700000000, -0.0014531400000000, -0.0035934900000000 ] - [ -0.0008437700000000, 0.0014448200000000, -0.0035934900000000 ] - [ 0.0016731400000000, 0.0000083200000000, -0.0035934900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007721100000000 ] - [ -0.0001871600000000, -0.0003208100000000, 0.0015139300000000 ] - [ -0.0001842500000000, 0.0003224900000000, 0.0015139300000000 ] - [ 0.0003714000000000, -0.0000016800000000, 0.0015139300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008280900000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0010142100000000, -0.0032267000000000, 0.0023408200000000 ] - [ -0.0043407400000000, -0.0004008500000000, -0.0032210000000000 ] - [ -0.0009397200000000, 0.0008893200000000, -0.0000847800000000 ] - [ 0.0010835400000000, 0.0000296200000000, -0.0002501400000000 ] - [ -0.0010142100000000, -0.0032267000000000, -0.0023408200000000 ] - [ -0.0043407400000000, -0.0004008500000000, 0.0032210000000000 ] - [ -0.0009397200000000, 0.0008893200000000, 0.0000847800000000 ] - [ 0.0010835400000000, 0.0000296200000000, 0.0002501400000000 ] - [ -0.4259712400000000, 0.1367782100000000, 0.0000000000000000 ] - [ 0.0040224600000000, -0.0006806100000000, 0.0000000000000000 ] - [ 0.0022763300000000, -0.0024745800000000, 0.0000000000000000 ] - [ -0.0000997700000000, 0.0007253900000000, 0.0000000000000000 ] - [ -0.0021946400000000, 0.0002823300000000, 0.0000000000000000 ] - [ 0.0031080900000000, 0.0015078400000000, 0.0000000000000000 ] - [ -0.0013059700000000, -0.0016910700000000, 0.0000000000000000 ] - [ -0.0013020400000000, -0.0002025400000000, 0.0000000000000000 ] - [ -0.0012118600000000, 0.0006428600000000, 0.0000000000000000 ] - [ 0.0015768400000000, -0.0019593800000000, 0.0000000000000000 ] - [ 0.0029337300000000, -0.0011801700000000, 0.0000000000000000 ] - [ -0.0036507800000000, 0.0022367400000000, 0.0000000000000000 ] - [ -0.0006343000000000, 0.0021815300000000, 0.0000000000000000 ] - [ 0.0008317400000000, -0.0042513700000000, 0.0000000000000000 ] - [ 0.0030018800000000, 0.0006398200000000, 0.0000000000000000 ] - [ 0.0195422700000000, 0.0361633900000000, 0.0000000000000000 ] - [ 0.0014283300000000, 0.0007636300000000, 0.0012845200000000 ] - [ -0.0003281200000000, 0.0012594100000000, -0.0010652500000000 ] - [ -0.0008077800000000, -0.0017948200000000, -0.0012632000000000 ] - [ -0.0001607500000000, -0.0005128900000000, 0.0000087600000000 ] - [ 0.0014283300000000, 0.0007636300000000, -0.0012845200000000 ] - [ -0.0003281200000000, 0.0012594100000000, 0.0010652500000000 ] - [ -0.0008077800000000, -0.0017948200000000, 0.0012632000000000 ] - [ -0.0001607500000000, -0.0005128900000000, -0.0000087600000000 ] - [ 0.0010042600000000, -0.0031274600000000, 0.0000000000000000 ] - [ 0.0007359100000000, 0.0006675600000000, 0.0000000000000000 ] - [ -0.0202333200000000, -0.0131535100000000, 0.0000000000000000 ] - [ 0.0045905900000000, 0.0020894600000000, 0.0000000000000000 ] - [ 0.0262566600000000, -0.0274600000000000, 0.0198167000000000 ] - [ 0.0029410300000000, 0.0012896100000000, 0.0001779400000000 ] - [ 0.0002112500000000, -0.0013938600000000, 0.0001535200000000 ] - [ -0.0000164100000000, 0.0002597300000000, 0.0001103400000000 ] - [ 0.0262566600000000, -0.0274600000000000, -0.0198167000000000 ] - [ 0.0029410300000000, 0.0012896100000000, -0.0001779400000000 ] - [ 0.0002112500000000, -0.0013938600000000, -0.0001535200000000 ] - [ -0.0000164100000000, 0.0002597300000000, -0.0001103400000000 ] - [ 0.0018367300000000, 0.0013333600000000, -0.0003319900000000 ] - [ 0.0290886300000000, -0.0124737700000000, 0.0187439000000000 ] - [ 0.0002935100000000, 0.0004083800000000, -0.0004372100000000 ] - [ -0.0004924500000000, -0.0021191500000000, 0.0012180200000000 ] - [ 0.0018367300000000, 0.0013333600000000, 0.0003319900000000 ] - [ 0.0290886300000000, -0.0124737700000000, -0.0187439000000000 ] - [ 0.0002935100000000, 0.0004083800000000, 0.0004372100000000 ] - [ -0.0004924500000000, -0.0021191500000000, -0.0012180200000000 ] - [ -0.0000717700000000, -0.0055635900000000, 0.0000000000000000 ] - [ -0.0001239900000000, 0.0009820400000000, 0.0000000000000000 ] - [ -0.0009603400000000, 0.0022545100000000, 0.0000000000000000 ] - [ 0.0010890400000000, 0.0002796900000000, 0.0000000000000000 ] - [ 0.0001420300000000, 0.0006989900000000, -0.0001617200000000 ] - [ 0.0003437500000000, -0.0017503200000000, 0.0014158100000000 ] - [ 0.0012977500000000, -0.0002866500000000, 0.0005606600000000 ] - [ -0.0024999500000000, 0.0003522200000000, -0.0011785500000000 ] - [ 0.0001420300000000, 0.0006989900000000, 0.0001617200000000 ] - [ 0.0003437500000000, -0.0017503200000000, -0.0014158100000000 ] - [ 0.0012977500000000, -0.0002866500000000, -0.0005606600000000 ] - [ -0.0024999500000000, 0.0003522200000000, 0.0011785500000000 ] - [ -0.0017777700000000, 0.0018760900000000, -0.0001985700000000 ] - [ 0.0011657100000000, 0.0000941200000000, -0.0004484600000000 ] - [ 0.0019167900000000, -0.0036447400000000, 0.0022744400000000 ] - [ -0.0005589500000000, 0.0003811100000000, -0.0002901500000000 ] - [ -0.0017777700000000, 0.0018760900000000, 0.0001985700000000 ] - [ 0.0011657100000000, 0.0000941200000000, 0.0004484600000000 ] - [ 0.0019167900000000, -0.0036447400000000, -0.0022744400000000 ] - [ -0.0005589500000000, 0.0003811100000000, 0.0002901500000000 ] - [ -0.0000204900000000, 0.0050127700000000, 0.0019010600000000 ] - [ 0.0025443500000000, -0.0014043800000000, -0.0002617600000000 ] - [ 0.0017855700000000, -0.0003811100000000, -0.0006582300000000 ] - [ -0.0038616700000000, 0.0036411000000000, -0.0013639600000000 ] - [ -0.0000204900000000, 0.0050127700000000, -0.0019010600000000 ] - [ 0.0025443500000000, -0.0014043800000000, 0.0002617600000000 ] - [ 0.0017855700000000, -0.0003811100000000, 0.0006582300000000 ] - [ -0.0038616700000000, 0.0036411000000000, 0.0013639600000000 ] - [ -0.0046319800000000, -0.0010066500000000, 0.0000000000000000 ] - [ 0.0033574800000000, -0.0020137000000000, 0.0000000000000000 ] - [ 0.0021764000000000, -0.0008125500000000, 0.0000000000000000 ] - [ 0.0004018700000000, 0.0030414300000000, 0.0000000000000000 ] - [ -0.0056737400000000, -0.0028283700000000, 0.0000000000000000 ] - [ 0.1726176100000000, -0.0142290300000000, 0.0000000000000000 ] - [ 0.0001052000000000, -0.0012185000000000, 0.0000000000000000 ] - [ -0.0022841000000000, 0.0053568000000000, 0.0000000000000000 ] - [ 0.1176131000000000, -0.0750517300000000, 0.0000000000000000 ] - [ -0.0076128400000000, -0.0010783700000000, 0.0000000000000000 ] - [ -0.0002192300000000, 0.0055637800000000, 0.0000000000000000 ] - [ -0.0002463800000000, -0.0016365500000000, 0.0000000000000000 ] - [ 0.0030431600000000, -0.0025285400000000, 0.0000000000000000 ] - [ -0.0029968100000000, -0.0008353500000000, 0.0000000000000000 ] - [ 0.0017951100000000, 0.0061025500000000, 0.0000000000000000 ] - [ 0.0007316400000000, -0.0006435400000000, 0.0000000000000000 ] - [ 0.0013807000000000, -0.0013784200000000, 0.0000000000000000 ] - [ -0.0017089900000000, 0.0047561400000000, 0.0000000000000000 ] - [ -0.0034619400000000, 0.0007765000000000, 0.0000000000000000 ] - [ 0.0039665600000000, -0.0029330100000000, 0.0000000000000000 ] - [ -0.0004240900000000, -0.0034484600000000, 0.0000000000000000 ] - [ -0.0045068300000000, 0.0041793300000000, 0.0000000000000000 ] - [ -0.0053487700000000, 0.0008455300000000, 0.0000000000000000 ] - [ 0.0305507500000000, -0.0216898000000000, 0.0000000000000000 ] - [ 0.0083920900000000, 0.0063120100000000, -0.0039929500000000 ] - [ -0.0020719600000000, -0.0003918600000000, -0.0001269100000000 ] - [ -0.0030706600000000, 0.0098830800000000, 0.0046975900000000 ] - [ -0.0015546100000000, -0.0024617400000000, -0.0013618300000000 ] - [ 0.0083920900000000, 0.0063120100000000, 0.0039929500000000 ] - [ -0.0020719600000000, -0.0003918600000000, 0.0001269100000000 ] - [ -0.0030706600000000, 0.0098830800000000, -0.0046975900000000 ] - [ -0.0015546100000000, -0.0024617400000000, 0.0013618300000000 ]- atom: 9 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0010208400000000, 0.0032330000000000, -0.0023487700000000 ] - [ 0.0043595500000000, 0.0004040400000000, 0.0032306000000000 ] - [ 0.0009409900000000, -0.0008928300000000, 0.0000846800000000 ] - [ -0.0010866300000000, -0.0000333100000000, 0.0002463100000000 ] - [ 0.0010208400000000, 0.0032330000000000, 0.0023487700000000 ] - [ 0.0043595500000000, 0.0004040400000000, -0.0032306000000000 ] - [ 0.0009409900000000, -0.0008928300000000, -0.0000846800000000 ] - [ -0.0010866300000000, -0.0000333100000000, -0.0002463100000000 ] - [ 0.4378140000000000, -0.1314456700000000, 0.0000000000000000 ] - [ -0.0039701000000000, 0.0008783600000000, 0.0000000000000000 ] - [ -0.0022283800000000, 0.0026848900000000, 0.0000000000000000 ] - [ 0.0001680500000000, -0.0005321300000000, 0.0000000000000000 ] - [ 0.0021346100000000, -0.0000909000000000, 0.0000000000000000 ] - [ -0.0031880900000000, -0.0013186200000000, 0.0000000000000000 ] - [ 0.0012350600000000, 0.0018876800000000, 0.0000000000000000 ] - [ 0.0012394300000000, 0.0003980400000000, 0.0000000000000000 ] - [ 0.0010819300000000, -0.0008007600000000, 0.0000000000000000 ] - [ -0.0017225600000000, 0.0018119700000000, 0.0000000000000000 ] - [ -0.0030747800000000, 0.0010271900000000, 0.0000000000000000 ] - [ 0.0035302900000000, -0.0024021400000000, 0.0000000000000000 ] - [ 0.0004344000000000, -0.0022288100000000, 0.0000000000000000 ] - [ -0.0010406400000000, 0.0042415700000000, 0.0000000000000000 ] - [ -0.0032183200000000, -0.0006749200000000, 0.0000000000000000 ] - [ -0.0201895100000000, -0.0368210800000000, 0.0000000000000000 ] - [ -0.0014400100000000, -0.0006872900000000, -0.0013471400000000 ] - [ 0.0003195600000000, -0.0011868600000000, 0.0010084700000000 ] - [ 0.0008045000000000, 0.0018850800000000, 0.0012105800000000 ] - [ 0.0001517100000000, 0.0005960200000000, -0.0000683500000000 ] - [ -0.0014400100000000, -0.0006872900000000, 0.0013471400000000 ] - [ 0.0003195600000000, -0.0011868600000000, -0.0010084700000000 ] - [ 0.0008045000000000, 0.0018850800000000, -0.0012105800000000 ] - [ 0.0001517100000000, 0.0005960200000000, 0.0000683500000000 ] - [ -0.0008795200000000, 0.0029859300000000, 0.0000000000000000 ] - [ -0.0006115600000000, -0.0008300000000000, 0.0000000000000000 ] - [ 0.0204229500000000, 0.0134171300000000, 0.0000000000000000 ] - [ -0.0044719000000000, -0.0022528300000000, 0.0000000000000000 ] - [ -0.0259285000000000, 0.0270985500000000, -0.0193220400000000 ] - [ -0.0029306100000000, -0.0012071100000000, -0.0001108400000000 ] - [ -0.0001964600000000, 0.0014862100000000, -0.0000875300000000 ] - [ 0.0000300800000000, -0.0001727300000000, -0.0000474600000000 ] - [ -0.0259285000000000, 0.0270985500000000, 0.0193220400000000 ] - [ -0.0029306100000000, -0.0012071100000000, 0.0001108400000000 ] - [ -0.0001964600000000, 0.0014862100000000, 0.0000875300000000 ] - [ 0.0000300800000000, -0.0001727300000000, 0.0000474600000000 ] - [ -0.0019163500000000, -0.0013690600000000, 0.0002740000000000 ] - [ -0.0297928700000000, 0.0127057000000000, -0.0193163200000000 ] - [ -0.0003668800000000, -0.0004436900000000, 0.0003806700000000 ] - [ 0.0004118500000000, 0.0021057300000000, -0.0012788200000000 ] - [ -0.0019163500000000, -0.0013690600000000, -0.0002740000000000 ] - [ -0.0297928700000000, 0.0127057000000000, 0.0193163200000000 ] - [ -0.0003668800000000, -0.0004436900000000, -0.0003806700000000 ] - [ 0.0004118500000000, 0.0021057300000000, 0.0012788200000000 ] - [ 0.0002739200000000, 0.0055445700000000, 0.0000000000000000 ] - [ 0.0003272100000000, -0.0010210500000000, 0.0000000000000000 ] - [ 0.0011656500000000, -0.0023005200000000, 0.0000000000000000 ] - [ -0.0008899000000000, -0.0003190600000000, 0.0000000000000000 ] - [ -0.0002098500000000, -0.0007570300000000, 0.0002277000000000 ] - [ -0.0004090800000000, 0.0017024400000000, -0.0013542300000000 ] - [ -0.0013648500000000, 0.0002322900000000, -0.0004948500000000 ] - [ 0.0024399800000000, -0.0004087500000000, 0.0012507000000000 ] - [ -0.0002098500000000, -0.0007570300000000, -0.0002277000000000 ] - [ -0.0004090800000000, 0.0017024400000000, 0.0013542300000000 ] - [ -0.0013648500000000, 0.0002322900000000, 0.0004948500000000 ] - [ 0.0024399800000000, -0.0004087500000000, -0.0012507000000000 ] - [ 0.0018626100000000, -0.0019158000000000, 0.0001364600000000 ] - [ -0.0010942300000000, -0.0001250700000000, 0.0003890900000000 ] - [ -0.0018417700000000, 0.0036221300000000, -0.0023428900000000 ] - [ 0.0006380400000000, -0.0004129800000000, 0.0002301100000000 ] - [ 0.0018626100000000, -0.0019158000000000, -0.0001364600000000 ] - [ -0.0010942300000000, -0.0001250700000000, -0.0003890900000000 ] - [ -0.0018417700000000, 0.0036221300000000, 0.0023428900000000 ] - [ 0.0006380400000000, -0.0004129800000000, -0.0002301100000000 ] - [ 0.0000745500000000, -0.0050628100000000, -0.0018355000000000 ] - [ -0.0024916500000000, 0.0013599100000000, 0.0003246200000000 ] - [ -0.0017271300000000, 0.0003325400000000, 0.0007223000000000 ] - [ 0.0039784700000000, -0.0037114200000000, 0.0014242300000000 ] - [ 0.0000745500000000, -0.0050628100000000, 0.0018355000000000 ] - [ -0.0024916500000000, 0.0013599100000000, -0.0003246200000000 ] - [ -0.0017271300000000, 0.0003325400000000, -0.0007223000000000 ] - [ 0.0039784700000000, -0.0037114200000000, -0.0014242300000000 ] - [ 0.0045770800000000, 0.0009102500000000, 0.0000000000000000 ] - [ -0.0034404600000000, 0.0019257700000000, 0.0000000000000000 ] - [ -0.0022591800000000, 0.0007161700000000, 0.0000000000000000 ] - [ -0.0004645100000000, -0.0031500500000000, 0.0000000000000000 ] - [ 0.0057406100000000, 0.0029440700000000, 0.0000000000000000 ] - [ -0.1880686200000000, 0.0158447900000000, 0.0000000000000000 ] - [ -0.0000586400000000, 0.0013369900000000, 0.0000000000000000 ] - [ 0.0023587700000000, -0.0052859600000000, 0.0000000000000000 ] - [ -0.1124380800000000, 0.0687437500000000, 0.0000000000000000 ] - [ 0.0077018000000000, 0.0009833300000000, 0.0000000000000000 ] - [ 0.0002861800000000, -0.0056930300000000, 0.0000000000000000 ] - [ 0.0003151700000000, 0.0015444700000000, 0.0000000000000000 ] - [ -0.0031083100000000, 0.0026379700000000, 0.0000000000000000 ] - [ 0.0029547000000000, 0.0009453600000000, 0.0000000000000000 ] - [ -0.0018499500000000, -0.0060165500000000, 0.0000000000000000 ] - [ -0.0007871500000000, 0.0007487100000000, 0.0000000000000000 ] - [ -0.0012694200000000, 0.0013763600000000, 0.0000000000000000 ] - [ 0.0018373600000000, -0.0047788800000000, 0.0000000000000000 ] - [ 0.0035867400000000, -0.0007810300000000, 0.0000000000000000 ] - [ -0.0038598100000000, 0.0029390400000000, 0.0000000000000000 ] - [ 0.0003267900000000, 0.0034732500000000, 0.0000000000000000 ] - [ 0.0044206600000000, -0.0042107800000000, 0.0000000000000000 ] - [ 0.0052448400000000, -0.0008576800000000, 0.0000000000000000 ] - [ -0.0310629800000000, 0.0217730200000000, 0.0000000000000000 ] - [ -0.0084598700000000, -0.0063369700000000, 0.0040046600000000 ] - [ 0.0020831800000000, 0.0003892600000000, 0.0001267000000000 ] - [ 0.0030752300000000, -0.0098592900000000, -0.0046931300000000 ] - [ 0.0015526700000000, 0.0024760400000000, 0.0013639800000000 ] - [ -0.0084598700000000, -0.0063369700000000, -0.0040046600000000 ] - [ 0.0020831800000000, 0.0003892600000000, -0.0001267000000000 ] - [ 0.0030752300000000, -0.0098592900000000, 0.0046931300000000 ] - [ 0.0015526700000000, 0.0024760400000000, -0.0013639800000000 ]- atom: 9 displacement: [ -0.0049999999846084, 0.0086602540467307, 0.0000000000000000 ] forces: - [ 0.0001619400000000, 0.0036117100000000, -0.0016531200000000 ] - [ 0.0043689700000000, 0.0007656900000000, 0.0029268700000000 ] - [ 0.0007620900000000, -0.0011656100000000, 0.0000780400000000 ] - [ -0.0007343200000000, -0.0008281300000000, -0.0003753600000000 ] - [ 0.0001619400000000, 0.0036117100000000, 0.0016531200000000 ] - [ 0.0043689700000000, 0.0007656900000000, -0.0029268700000000 ] - [ 0.0007620900000000, -0.0011656100000000, -0.0000780400000000 ] - [ -0.0007343200000000, -0.0008281300000000, 0.0003753600000000 ] - [ 0.3285502800000000, -0.2448932800000000, 0.0000000000000000 ] - [ -0.0026280000000000, 0.0002815600000000, 0.0000000000000000 ] - [ -0.0033209900000000, 0.0030738700000000, 0.0000000000000000 ] - [ 0.0006416500000000, 0.0005322300000000, 0.0000000000000000 ] - [ 0.0008816700000000, -0.0008780600000000, 0.0000000000000000 ] - [ -0.0028245500000000, -0.0013225600000000, 0.0000000000000000 ] - [ 0.0008580100000000, 0.0018193000000000, 0.0000000000000000 ] - [ 0.0021471900000000, 0.0010781700000000, 0.0000000000000000 ] - [ 0.0013424400000000, -0.0005824400000000, 0.0000000000000000 ] - [ -0.0022629000000000, 0.0021186800000000, 0.0000000000000000 ] - [ -0.0022570300000000, 0.0005547900000000, 0.0000000000000000 ] - [ 0.0029777900000000, -0.0024537700000000, 0.0000000000000000 ] - [ 0.0002941700000000, 0.0012963300000000, 0.0000000000000000 ] - [ -0.0010891800000000, 0.0046319100000000, 0.0000000000000000 ] - [ -0.0028877000000000, -0.0008517500000000, 0.0000000000000000 ] - [ 0.0065809300000000, -0.0195016800000000, 0.0000000000000000 ] - [ -0.0012254200000000, -0.0008663100000000, -0.0012696900000000 ] - [ 0.0000028900000000, -0.0015909300000000, 0.0006488600000000 ] - [ 0.0010941000000000, 0.0022718600000000, 0.0014571500000000 ] - [ -0.0000003100000000, 0.0007668600000000, -0.0001671600000000 ] - [ -0.0012254200000000, -0.0008663100000000, 0.0012696900000000 ] - [ 0.0000028900000000, -0.0015909300000000, -0.0006488600000000 ] - [ 0.0010941000000000, 0.0022718600000000, -0.0014571500000000 ] - [ -0.0000003100000000, 0.0007668600000000, 0.0001671600000000 ] - [ -0.0012671400000000, 0.0025825800000000, 0.0000000000000000 ] - [ 0.0021819700000000, 0.0011506500000000, 0.0000000000000000 ] - [ 0.0137615300000000, 0.0393888600000000, 0.0000000000000000 ] - [ -0.0034609300000000, -0.0017334500000000, 0.0000000000000000 ] - [ -0.0230354200000000, 0.0158357300000000, -0.0140604100000000 ] - [ -0.0018174700000000, -0.0014637400000000, -0.0002306600000000 ] - [ -0.0006285500000000, 0.0017992000000000, -0.0004128600000000 ] - [ 0.0004529800000000, 0.0005819400000000, 0.0001771700000000 ] - [ -0.0230354200000000, 0.0158357300000000, 0.0140604100000000 ] - [ -0.0018174700000000, -0.0014637400000000, 0.0002306600000000 ] - [ -0.0006285500000000, 0.0017992000000000, 0.0004128600000000 ] - [ 0.0004529800000000, 0.0005819400000000, -0.0001771700000000 ] - [ -0.0013225800000000, -0.0015356000000000, 0.0003361500000000 ] - [ -0.0341971600000000, 0.0060650100000000, -0.0209209600000000 ] - [ -0.0000710900000000, 0.0004720400000000, -0.0000801000000000 ] - [ -0.0005887900000000, 0.0027850800000000, -0.0008354000000000 ] - [ -0.0013225800000000, -0.0015356000000000, -0.0003361500000000 ] - [ -0.0341971600000000, 0.0060650100000000, 0.0209209600000000 ] - [ -0.0000710900000000, 0.0004720400000000, 0.0000801000000000 ] - [ -0.0005887900000000, 0.0027850800000000, 0.0008354000000000 ] - [ 0.0000944800000000, 0.0054274400000000, 0.0000000000000000 ] - [ 0.0005224200000000, 0.0000122700000000, 0.0000000000000000 ] - [ 0.0008786000000000, -0.0033539200000000, 0.0000000000000000 ] - [ -0.0006890200000000, -0.0006931300000000, 0.0000000000000000 ] - [ 0.0001687300000000, -0.0005776900000000, 0.0001001300000000 ] - [ -0.0011330600000000, 0.0015289400000000, -0.0016749100000000 ] - [ -0.0005585200000000, 0.0002802800000000, -0.0000394700000000 ] - [ 0.0018269900000000, -0.0005357100000000, 0.0013690300000000 ] - [ 0.0001687300000000, -0.0005776900000000, -0.0001001300000000 ] - [ -0.0011330600000000, 0.0015289400000000, 0.0016749100000000 ] - [ -0.0005585200000000, 0.0002802800000000, 0.0000394700000000 ] - [ 0.0018269900000000, -0.0005357100000000, -0.0013690300000000 ] - [ 0.0015797000000000, -0.0022859700000000, 0.0006335500000000 ] - [ -0.0009941400000000, -0.0003220800000000, 0.0003875400000000 ] - [ -0.0015846400000000, 0.0033146500000000, -0.0020607600000000 ] - [ 0.0006888500000000, 0.0001807000000000, -0.0002119600000000 ] - [ 0.0015797000000000, -0.0022859700000000, -0.0006335500000000 ] - [ -0.0009941400000000, -0.0003220800000000, -0.0003875400000000 ] - [ -0.0015846400000000, 0.0033146500000000, 0.0020607600000000 ] - [ 0.0006888500000000, 0.0001807000000000, 0.0002119600000000 ] - [ 0.0038070300000000, 0.0009172000000000, 0.0001303300000000 ] - [ -0.0023522600000000, 0.0012606100000000, 0.0002165200000000 ] - [ -0.0014721800000000, 0.0004183600000000, 0.0006054200000000 ] - [ 0.0056169400000000, -0.0004906200000000, -0.0016230700000000 ] - [ 0.0038070300000000, 0.0009172000000000, -0.0001303300000000 ] - [ -0.0023522600000000, 0.0012606100000000, -0.0002165200000000 ] - [ -0.0014721800000000, 0.0004183600000000, -0.0006054200000000 ] - [ 0.0056169400000000, -0.0004906200000000, 0.0016230700000000 ] - [ 0.0038526100000000, 0.0010997200000000, 0.0000000000000000 ] - [ -0.0021129100000000, 0.0027986000000000, 0.0000000000000000 ] - [ -0.0031499500000000, -0.0001452500000000, 0.0000000000000000 ] - [ 0.0001263700000000, -0.0032685900000000, 0.0000000000000000 ] - [ 0.0043315000000000, 0.0035360000000000, 0.0000000000000000 ] - [ -0.0898592400000000, 0.0491269100000000, 0.0000000000000000 ] - [ -0.0009223000000000, -0.0017414100000000, 0.0000000000000000 ] - [ 0.0035559200000000, -0.0067913100000000, 0.0000000000000000 ] - [ -0.1243568300000000, 0.1432378600000000, 0.0000000000000000 ] - [ 0.0049471100000000, 0.0012557500000000, 0.0000000000000000 ] - [ 0.0018179300000000, -0.0057096400000000, 0.0000000000000000 ] - [ -0.0012626900000000, -0.0013324900000000, 0.0000000000000000 ] - [ -0.0019398100000000, 0.0042358700000000, 0.0000000000000000 ] - [ 0.0025158600000000, 0.0014217600000000, 0.0000000000000000 ] - [ -0.0012172500000000, -0.0059422000000000, 0.0000000000000000 ] - [ -0.0015661600000000, -0.0006355300000000, 0.0000000000000000 ] - [ -0.0017884500000000, 0.0006415400000000, 0.0000000000000000 ] - [ 0.0022990600000000, -0.0051431400000000, 0.0000000000000000 ] - [ 0.0027881000000000, -0.0000496000000000, 0.0000000000000000 ] - [ -0.0030308100000000, 0.0036183600000000, 0.0000000000000000 ] - [ -0.0030494000000000, -0.0022560600000000, 0.0000000000000000 ] - [ 0.0046381900000000, -0.0042687100000000, 0.0000000000000000 ] - [ 0.0041748400000000, -0.0009445000000000, 0.0000000000000000 ] - [ -0.0351334100000000, 0.0049062400000000, 0.0000000000000000 ] - [ -0.0054701200000000, -0.0075932700000000, 0.0057257200000000 ] - [ 0.0014953800000000, 0.0002459400000000, 0.0001043000000000 ] - [ 0.0035923900000000, -0.0081663800000000, -0.0047027100000000 ] - [ -0.0007749100000000, 0.0016528700000000, -0.0002110700000000 ] - [ -0.0054701200000000, -0.0075932700000000, -0.0057257200000000 ] - [ 0.0014953800000000, 0.0002459400000000, -0.0001043000000000 ] - [ 0.0035923900000000, -0.0081663800000000, 0.0047027100000000 ] - [ -0.0007749100000000, 0.0016528700000000, 0.0002110700000000 ]- atom: 9 displacement: [ 0.0049999999846084, -0.0086602540467307, 0.0000000000000000 ] forces: - [ -0.0001619800000000, -0.0036377100000000, 0.0016658400000000 ] - [ -0.0043876300000000, -0.0007654300000000, -0.0029435600000000 ] - [ -0.0007683500000000, 0.0011707100000000, -0.0000780600000000 ] - [ 0.0007428200000000, 0.0008291900000000, 0.0003750000000000 ] - [ -0.0001619800000000, -0.0036377100000000, -0.0016658400000000 ] - [ -0.0043876300000000, -0.0007654300000000, 0.0029435600000000 ] - [ -0.0007683500000000, 0.0011707100000000, 0.0000780600000000 ] - [ 0.0007428200000000, 0.0008291900000000, -0.0003750000000000 ] - [ -0.3356208100000000, 0.2571437800000000, 0.0000000000000000 ] - [ 0.0027170400000000, -0.0000975700000000, 0.0000000000000000 ] - [ 0.0033992100000000, -0.0028974600000000, 0.0000000000000000 ] - [ -0.0005798600000000, -0.0003409900000000, 0.0000000000000000 ] - [ -0.0009592200000000, 0.0010669400000000, 0.0000000000000000 ] - [ 0.0027727500000000, 0.0015180400000000, 0.0000000000000000 ] - [ -0.0009335600000000, -0.0016411600000000, 0.0000000000000000 ] - [ -0.0022224500000000, -0.0008925400000000, 0.0000000000000000 ] - [ -0.0014808900000000, 0.0004353000000000, 0.0000000000000000 ] - [ 0.0021369000000000, -0.0022781900000000, 0.0000000000000000 ] - [ 0.0021435000000000, -0.0007130500000000, 0.0000000000000000 ] - [ -0.0031266800000000, 0.0023145000000000, 0.0000000000000000 ] - [ -0.0004921100000000, -0.0013339300000000, 0.0000000000000000 ] - [ 0.0008951600000000, -0.0046880300000000, 0.0000000000000000 ] - [ 0.0027052800000000, 0.0008216600000000, 0.0000000000000000 ] - [ -0.0064548000000000, 0.0199175500000000, 0.0000000000000000 ] - [ 0.0012325300000000, 0.0009435500000000, 0.0012278200000000 ] - [ -0.0000077300000000, 0.0016704000000000, -0.0007088100000000 ] - [ -0.0010993100000000, -0.0022050500000000, -0.0015151800000000 ] - [ -0.0000031800000000, -0.0006945000000000, 0.0001164200000000 ] - [ 0.0012325300000000, 0.0009435500000000, -0.0012278200000000 ] - [ -0.0000077300000000, 0.0016704000000000, 0.0007088100000000 ] - [ -0.0010993100000000, -0.0022050500000000, 0.0015151800000000 ] - [ -0.0000031800000000, -0.0006945000000000, -0.0001164200000000 ] - [ 0.0014026700000000, -0.0027522600000000, 0.0000000000000000 ] - [ -0.0020623400000000, -0.0013046700000000, 0.0000000000000000 ] - [ -0.0138609400000000, -0.0405897600000000, 0.0000000000000000 ] - [ 0.0036166100000000, 0.0015943500000000, 0.0000000000000000 ] - [ 0.0235661300000000, -0.0160833200000000, 0.0145663600000000 ] - [ 0.0018501400000000, 0.0015487600000000, 0.0002891900000000 ] - [ 0.0006409900000000, -0.0017262700000000, 0.0004744200000000 ] - [ -0.0004485800000000, -0.0005011900000000, -0.0001208200000000 ] - [ 0.0235661300000000, -0.0160833200000000, -0.0145663600000000 ] - [ 0.0018501400000000, 0.0015487600000000, -0.0002891900000000 ] - [ 0.0006409900000000, -0.0017262700000000, -0.0004744200000000 ] - [ -0.0004485800000000, -0.0005011900000000, 0.0001208200000000 ] - [ 0.0012684700000000, 0.0015106200000000, -0.0003889000000000 ] - [ 0.0337201200000000, -0.0061904100000000, 0.0205400400000000 ] - [ 0.0000075700000000, -0.0005079600000000, 0.0000270200000000 ] - [ 0.0005254000000000, -0.0028331600000000, 0.0007831100000000 ] - [ 0.0012684700000000, 0.0015106200000000, 0.0003889000000000 ] - [ 0.0337201200000000, -0.0061904100000000, -0.0205400400000000 ] - [ 0.0000075700000000, -0.0005079600000000, -0.0000270200000000 ] - [ 0.0005254000000000, -0.0028331600000000, -0.0007831100000000 ] - [ 0.0001029200000000, -0.0054871100000000, 0.0000000000000000 ] - [ -0.0003273400000000, -0.0000419800000000, 0.0000000000000000 ] - [ -0.0006871800000000, 0.0033326200000000, 0.0000000000000000 ] - [ 0.0008915300000000, 0.0006577300000000, 0.0000000000000000 ] - [ -0.0002350000000000, 0.0005350400000000, -0.0000425200000000 ] - [ 0.0010717100000000, -0.0015824500000000, 0.0017401500000000 ] - [ 0.0005012800000000, -0.0003294200000000, 0.0001004800000000 ] - [ -0.0019030800000000, 0.0004913000000000, -0.0013169200000000 ] - [ -0.0002350000000000, 0.0005350400000000, 0.0000425200000000 ] - [ 0.0010717100000000, -0.0015824500000000, -0.0017401500000000 ] - [ 0.0005012800000000, -0.0003294200000000, -0.0001004800000000 ] - [ -0.0019030800000000, 0.0004913000000000, 0.0013169200000000 ] - [ -0.0015197500000000, 0.0022626000000000, -0.0006907200000000 ] - [ 0.0010680400000000, 0.0002895300000000, -0.0004435300000000 ] - [ 0.0016630800000000, -0.0033645500000000, 0.0020146700000000 ] - [ -0.0006250300000000, -0.0002117700000000, 0.0001565400000000 ] - [ -0.0015197500000000, 0.0022626000000000, 0.0006907200000000 ] - [ 0.0010680400000000, 0.0002895300000000, 0.0004435300000000 ] - [ 0.0016630800000000, -0.0033645500000000, -0.0020146700000000 ] - [ -0.0006250300000000, -0.0002117700000000, -0.0001565400000000 ] - [ -0.0037516800000000, -0.0009787200000000, -0.0000781800000000 ] - [ 0.0024258900000000, -0.0013097600000000, -0.0001623600000000 ] - [ 0.0015454600000000, -0.0004625300000000, -0.0005548800000000 ] - [ -0.0056221200000000, 0.0004826700000000, 0.0016801800000000 ] - [ -0.0037516800000000, -0.0009787200000000, 0.0000781800000000 ] - [ 0.0024258900000000, -0.0013097600000000, 0.0001623600000000 ] - [ 0.0015454600000000, -0.0004625300000000, 0.0005548800000000 ] - [ -0.0056221200000000, 0.0004826700000000, -0.0016801800000000 ] - [ -0.0039447800000000, -0.0012033200000000, 0.0000000000000000 ] - [ 0.0020632500000000, -0.0029075700000000, 0.0000000000000000 ] - [ 0.0030934500000000, 0.0000414600000000, 0.0000000000000000 ] - [ -0.0001890100000000, 0.0031815600000000, 0.0000000000000000 ] - [ -0.0043163600000000, -0.0034457000000000, 0.0000000000000000 ] - [ 0.0850790200000000, -0.0491506600000000, 0.0000000000000000 ] - [ 0.0009781500000000, 0.0018519600000000, 0.0000000000000000 ] - [ -0.0035168700000000, 0.0069358600000000, 0.0000000000000000 ] - [ 0.1357235900000000, -0.1537097700000000, 0.0000000000000000 ] - [ -0.0049374000000000, -0.0013573200000000, 0.0000000000000000 ] - [ -0.0017606700000000, 0.0056339000000000, 0.0000000000000000 ] - [ 0.0013323700000000, 0.0012320100000000, 0.0000000000000000 ] - [ 0.0018989700000000, -0.0041527600000000, 0.0000000000000000 ] - [ -0.0025846200000000, -0.0013204600000000, 0.0000000000000000 ] - [ 0.0011684300000000, 0.0060710700000000, 0.0000000000000000 ] - [ 0.0015155100000000, 0.0007346500000000, 0.0000000000000000 ] - [ 0.0019132500000000, -0.0006507300000000, 0.0000000000000000 ] - [ -0.0021893200000000, 0.0051601600000000, 0.0000000000000000 ] - [ -0.0026893400000000, 0.0000529100000000, 0.0000000000000000 ] - [ 0.0031720900000000, -0.0036365500000000, 0.0000000000000000 ] - [ 0.0029506500000000, 0.0022643600000000, 0.0000000000000000 ] - [ -0.0047727700000000, 0.0042835400000000, 0.0000000000000000 ] - [ -0.0043273200000000, 0.0009442000000000, 0.0000000000000000 ] - [ 0.0355194700000000, -0.0052059800000000, 0.0000000000000000 ] - [ 0.0054843700000000, 0.0076214000000000, -0.0057377700000000 ] - [ -0.0015019000000000, -0.0002494100000000, -0.0001045600000000 ] - [ -0.0036233500000000, 0.0082525600000000, 0.0047507300000000 ] - [ 0.0007671000000000, -0.0016699800000000, 0.0001975900000000 ] - [ 0.0054843700000000, 0.0076214000000000, 0.0057377700000000 ] - [ -0.0015019000000000, -0.0002494100000000, 0.0001045600000000 ] - [ -0.0036233500000000, 0.0082525600000000, -0.0047507300000000 ] - [ 0.0007671000000000, -0.0016699800000000, -0.0001975900000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0007721500000000, 0.0007881300000000, -0.0007031700000000 ] - [ -0.0014122400000000, -0.0003194900000000, -0.0010509900000000 ] - [ 0.0000853100000000, 0.0000701500000000, 0.0000382800000000 ] - [ -0.0000775100000000, -0.0000658200000000, 0.0000306900000000 ] - [ -0.0007771100000000, -0.0007837900000000, -0.0007025500000000 ] - [ 0.0014079300000000, 0.0003194900000000, -0.0010454700000000 ] - [ -0.0000852800000000, -0.0000717600000000, 0.0000378300000000 ] - [ 0.0000776400000000, 0.0000639200000000, 0.0000328900000000 ] - [ -0.0001617500000000, -0.0004059500000000, -0.0555558400000000 ] - [ 0.0000328400000000, 0.0000967000000000, -0.0002009100000000 ] - [ 0.0000283800000000, 0.0000993500000000, -0.0002439600000000 ] - [ 0.0000333900000000, 0.0000986800000000, -0.0000555400000000 ] - [ -0.0000382100000000, 0.0000935300000000, 0.0006549100000000 ] - [ -0.0000353000000000, 0.0000956300000000, 0.0002671800000000 ] - [ -0.0000351300000000, 0.0000963600000000, 0.0002358300000000 ] - [ -0.0000333500000000, 0.0000972200000000, 0.0002358200000000 ] - [ -0.0000674700000000, -0.0000760100000000, 0.0003006000000000 ] - [ -0.0000699300000000, -0.0000754200000000, 0.0002827500000000 ] - [ -0.0000679200000000, -0.0000768000000000, 0.0002828000000000 ] - [ -0.0000674400000000, -0.0000782800000000, 0.0003637000000000 ] - [ -0.0001015100000000, -0.0000121900000000, -0.0006728800000000 ] - [ -0.0001016600000000, -0.0000161100000000, -0.0002386500000000 ] - [ -0.0001008100000000, -0.0000179200000000, -0.0007397700000000 ] - [ -0.0000835000000000, -0.0000135300000000, -0.0066512000000000 ] - [ 0.0004295600000000, 0.0001687500000000, 0.0009692400000000 ] - [ -0.0000417400000000, -0.0002668600000000, 0.0006718200000000 ] - [ 0.0004837600000000, 0.0007865300000000, 0.0010519700000000 ] - [ 0.0000526900000000, 0.0000562700000000, 0.0001252200000000 ] - [ -0.0004373400000000, -0.0000906100000000, 0.0010301900000000 ] - [ 0.0000294100000000, 0.0003454800000000, 0.0007348700000000 ] - [ -0.0004906800000000, -0.0007041300000000, 0.0011099800000000 ] - [ -0.0000604100000000, 0.0000241800000000, 0.0001843900000000 ] - [ 0.0000647500000000, -0.0000772500000000, -0.0006728100000000 ] - [ 0.0000727800000000, -0.0000735400000000, -0.0007397400000000 ] - [ 0.0000609900000000, -0.0000581000000000, -0.0066510800000000 ] - [ 0.0000669400000000, -0.0000763500000000, -0.0002385200000000 ] - [ 0.0180673600000000, -0.0123589400000000, 0.0010918100000000 ] - [ -0.0002789700000000, -0.0002946900000000, -0.0003212400000000 ] - [ -0.0002727700000000, 0.0004232600000000, -0.0007303600000000 ] - [ -0.0000616300000000, 0.0000374600000000, -0.0000908300000000 ] - [ -0.0178497000000000, 0.0123379900000000, 0.0009302300000000 ] - [ 0.0002965600000000, 0.0003810200000000, -0.0003876100000000 ] - [ 0.0002847300000000, -0.0003342400000000, -0.0007953000000000 ] - [ 0.0000779000000000, 0.0000500300000000, -0.0001575600000000 ] - [ -0.0004384700000000, -0.0001316900000000, -0.0003994300000000 ] - [ 0.0207264600000000, -0.0080349400000000, 0.0007823900000000 ] - [ -0.0000570200000000, 0.0000509500000000, -0.0001935400000000 ] - [ 0.0001891100000000, 0.0002585700000000, -0.0006522900000000 ] - [ 0.0003670100000000, 0.0000969800000000, -0.0003407200000000 ] - [ -0.0210239100000000, 0.0081035600000000, 0.0009224200000000 ] - [ -0.0000162000000000, -0.0000810800000000, -0.0001318200000000 ] - [ -0.0002646100000000, -0.0002881000000000, -0.0005932500000000 ] - [ 0.0000999100000000, -0.0000176300000000, 0.0005133600000000 ] - [ 0.0001007400000000, -0.0000176700000000, 0.0000955500000000 ] - [ 0.0001005100000000, -0.0000240600000000, 0.0006634400000000 ] - [ 0.0000997500000000, -0.0000195000000000, 0.0000955100000000 ] - [ -0.0000774700000000, -0.0001560300000000, 0.0003605900000000 ] - [ 0.0004790700000000, -0.0003669900000000, 0.0014080000000000 ] - [ -0.0000405100000000, -0.0000915500000000, 0.0001535300000000 ] - [ 0.0005261000000000, -0.0000426000000000, 0.0008963600000000 ] - [ 0.0000131600000000, 0.0001003500000000, 0.0002934200000000 ] - [ -0.0005505900000000, 0.0003122300000000, 0.0013440500000000 ] - [ -0.0000250200000000, 0.0000371600000000, 0.0000861400000000 ] - [ -0.0005905200000000, -0.0000151100000000, 0.0008283200000000 ] - [ 0.0000470000000000, -0.0002258200000000, 0.0019184500000000 ] - [ -0.0000950500000000, -0.0000654700000000, 0.0002058300000000 ] - [ 0.0005606700000000, -0.0008949100000000, 0.0011568000000000 ] - [ 0.0000084000000000, -0.0000693700000000, 0.0000772800000000 ] - [ 0.0000292300000000, 0.0001941600000000, 0.0019735400000000 ] - [ 0.0001702000000000, 0.0000337100000000, 0.0002672300000000 ] - [ -0.0004871600000000, 0.0008665200000000, 0.0012201100000000 ] - [ 0.0000673100000000, 0.0000393200000000, 0.0001395700000000 ] - [ 0.0022268000000000, 0.0030770900000000, -0.0012323500000000 ] - [ -0.0005062400000000, 0.0003868700000000, -0.0004318400000000 ] - [ 0.0003390600000000, 0.0000570500000000, -0.0004966700000000 ] - [ 0.0000469400000000, 0.0000689000000000, -0.0003303200000000 ] - [ -0.0021419600000000, -0.0031003900000000, -0.0012916800000000 ] - [ 0.0005715100000000, -0.0004373800000000, -0.0004931700000000 ] - [ -0.0002742500000000, -0.0001060200000000, -0.0005577000000000 ] - [ 0.0000246100000000, -0.0001100700000000, -0.0003818900000000 ] - [ -0.0000337100000000, -0.0000483900000000, -0.0017228800000000 ] - [ -0.0000290900000000, -0.0000462000000000, -0.0014760200000000 ] - [ -0.0000357100000000, -0.0000510900000000, -0.0017994700000000 ] - [ -0.0000336500000000, -0.0000504600000000, -0.0002788800000000 ] - [ 0.0000244900000000, 0.0000563600000000, 0.0011988600000000 ] - [ 0.0004725200000000, 0.0001151500000000, 0.0362163400000000 ] - [ 0.0000242200000000, 0.0000494100000000, 0.0002701300000000 ] - [ 0.0000292300000000, 0.0000502900000000, 0.0008433900000000 ] - [ -0.0002326900000000, 0.0003670600000000, 0.0338119000000000 ] - [ 0.0000285700000000, -0.0000489500000000, 0.0009015200000000 ] - [ 0.0000365800000000, -0.0000503400000000, 0.0013197000000000 ] - [ 0.0000288300000000, -0.0000538200000000, 0.0001491400000000 ] - [ -0.0000227500000000, 0.0000597500000000, -0.0037852500000000 ] - [ -0.0000254100000000, 0.0000530900000000, -0.0004537600000000 ] - [ -0.0000262400000000, 0.0000497600000000, -0.0019060200000000 ] - [ -0.0000269100000000, 0.0000510500000000, -0.0001680900000000 ] - [ 0.0000565300000000, -0.0000037400000000, -0.0006674400000000 ] - [ 0.0000599200000000, -0.0000059300000000, -0.0020853900000000 ] - [ 0.0000591200000000, -0.0000023900000000, -0.0002711900000000 ] - [ 0.0000588100000000, 0.0000027500000000, -0.0018159100000000 ] - [ -0.0000627500000000, -0.0000121300000000, 0.0056661400000000 ] - [ -0.0000559300000000, -0.0000046300000000, 0.0016253400000000 ] - [ -0.0000586200000000, -0.0000052200000000, 0.0010057300000000 ] - [ -0.0000699300000000, -0.0000230300000000, 0.0006663600000000 ] - [ 0.0008289000000000, 0.0037222900000000, -0.0019399900000000 ] - [ -0.0000608800000000, 0.0001433300000000, -0.0000910300000000 ] - [ 0.0009738000000000, -0.0032578300000000, -0.0015657000000000 ] - [ -0.0000664000000000, -0.0002792900000000, 0.0000267400000000 ] - [ -0.0008116600000000, -0.0037373700000000, -0.0019448900000000 ] - [ 0.0000591000000000, -0.0001438300000000, -0.0000905000000000 ] - [ -0.0009715100000000, 0.0032576300000000, -0.0015629400000000 ] - [ 0.0000629100000000, 0.0002774100000000, 0.0000317900000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0007905400000000, 0.0002514300000000, -0.0000387500000000 ] - [ -0.0010533400000000, -0.0000775500000000, -0.0005671100000000 ] - [ 0.0004673500000000, 0.0007022000000000, -0.0005976200000000 ] - [ -0.0004481700000000, -0.0003714900000000, 0.0000326200000000 ] - [ 0.0025726500000000, 0.0014662800000000, -0.0012689200000000 ] - [ -0.0009449400000000, -0.0001291200000000, 0.0004344200000000 ] - [ 0.0006990500000000, 0.0005490200000000, 0.0005902500000000 ] - [ -0.0008879200000000, -0.0005227400000000, 0.0001227700000000 ] - [ 0.0014679400000000, -0.0004896300000000, 0.0004309000000000 ] - [ -0.0002955100000000, -0.0000792400000000, -0.0000367100000000 ] - [ -0.0007744800000000, 0.0009018900000000, 0.0004854100000000 ] - [ -0.0001233600000000, 0.0000106500000000, 0.0000560300000000 ] - [ 0.0028999000000000, 0.0005246300000000, -0.0002876200000000 ] - [ 0.0262345900000000, 0.0120997500000000, 0.0181616500000000 ] - [ 0.0001678600000000, 0.0007145600000000, -0.0002777200000000 ] - [ -0.0000601500000000, -0.0004095600000000, -0.0000694600000000 ] - [ -0.0007402900000000, -0.0001996100000000, -0.0001020600000000 ] - [ 0.0003738200000000, 0.0004126800000000, -0.0000669100000000 ] - [ 0.0223051000000000, -0.0169623200000000, 0.0175953200000000 ] - [ 0.0026369100000000, -0.0003676100000000, -0.0001224800000000 ] - [ -0.0002242200000000, -0.0008525000000000, 0.0001089900000000 ] - [ -0.0002317500000000, 0.0024597700000000, 0.0004996200000000 ] - [ -0.0005672700000000, -0.0011291400000000, 0.0001753000000000 ] - [ 0.0004388700000000, 0.0002448900000000, 0.0000613800000000 ] - [ -0.1743637400000000, 0.0101467300000000, -0.1956824200000000 ] - [ 0.0012897800000000, 0.0000712300000000, 0.0003736500000000 ] - [ -0.0003458600000000, -0.0004521400000000, -0.0003906700000000 ] - [ 0.0002721200000000, 0.0007215600000000, -0.0000122700000000 ] - [ -0.0095472700000000, -0.0002661200000000, -0.0071104100000000 ] - [ 0.0014094300000000, 0.0000912500000000, -0.0005776300000000 ] - [ -0.0002195700000000, -0.0004507600000000, 0.0001370800000000 ] - [ 0.0002780200000000, 0.0005754300000000, -0.0002467900000000 ] - [ 0.0005981100000000, 0.0006437200000000, 0.0000514200000000 ] - [ -0.0005146900000000, -0.0003709100000000, 0.0000876900000000 ] - [ 0.0019696900000000, 0.0007694800000000, 0.0005492700000000 ] - [ -0.0013112100000000, -0.0010911400000000, 0.0002895900000000 ] - [ 0.0023834500000000, 0.0000577300000000, 0.0043537400000000 ] - [ 0.0001249800000000, -0.0000695000000000, -0.0002558100000000 ] - [ -0.0000216300000000, -0.0001154900000000, 0.0003318500000000 ] - [ -0.0000225300000000, 0.0006714700000000, -0.0002574000000000 ] - [ -0.0001969700000000, 0.0001657000000000, 0.0013482600000000 ] - [ -0.0000468300000000, -0.0000538100000000, 0.0003464300000000 ] - [ -0.0001853300000000, 0.0000249600000000, 0.0001749800000000 ] - [ -0.0001862500000000, 0.0005925600000000, 0.0004511300000000 ] - [ -0.0004204900000000, -0.0004215100000000, 0.0000797000000000 ] - [ 0.0004187000000000, -0.0000720400000000, 0.0002183300000000 ] - [ -0.0001162900000000, -0.0003817000000000, 0.0002992100000000 ] - [ -0.0002636500000000, -0.0001318500000000, 0.0013670000000000 ] - [ -0.0007092600000000, 0.0000832600000000, -0.0009387900000000 ] - [ 0.0004262600000000, 0.0000769900000000, 0.0000599200000000 ] - [ -0.0002073400000000, -0.0002892300000000, -0.0001022100000000 ] - [ 0.0025779400000000, 0.0040646000000000, 0.0039714000000000 ] - [ 0.0002999600000000, 0.0005236400000000, -0.0002233800000000 ] - [ 0.0000828100000000, 0.0000577200000000, -0.0000880800000000 ] - [ 0.0070889200000000, 0.0009114300000000, -0.0037264800000000 ] - [ 0.0037198200000000, -0.0006968900000000, -0.0000824300000000 ] - [ -0.0008857500000000, 0.0004667000000000, -0.0000896100000000 ] - [ 0.0005797200000000, 0.0001535200000000, 0.0000415100000000 ] - [ 0.0046688200000000, -0.0027031200000000, 0.0030467200000000 ] - [ 0.0000597700000000, 0.0009980500000000, -0.0010618700000000 ] - [ -0.0013696200000000, 0.0000560100000000, -0.0002490800000000 ] - [ 0.0006320800000000, 0.0000741100000000, -0.0003000500000000 ] - [ 0.0025277800000000, -0.0020780600000000, -0.0023974300000000 ] - [ 0.0006414300000000, 0.0004936100000000, -0.0004080700000000 ] - [ 0.0038189700000000, -0.0030543100000000, -0.0003710000000000 ] - [ 0.0023385500000000, 0.0021874200000000, -0.0024216400000000 ] - [ -0.0017162600000000, 0.0008614600000000, -0.0024201100000000 ] - [ 0.0004304500000000, 0.0000387300000000, -0.0000242100000000 ] - [ 0.0002493900000000, -0.0011224000000000, -0.0013987400000000 ] - [ 0.0045931300000000, 0.0027484200000000, 0.0032440600000000 ] - [ -0.0006940900000000, -0.0005715200000000, -0.0002767700000000 ] - [ 0.0003591300000000, -0.0000298000000000, -0.0001323400000000 ] - [ -0.0001639800000000, -0.0006639800000000, 0.0005510500000000 ] - [ 0.0004718600000000, 0.0005132600000000, -0.0004189200000000 ] - [ -0.0035416500000000, -0.0008073900000000, 0.0018332500000000 ] - [ 0.0011687500000000, 0.0001115400000000, -0.0003285100000000 ] - [ -0.0001873600000000, -0.0002957200000000, 0.0000639900000000 ] - [ 0.0004926500000000, 0.0006359200000000, 0.0006152200000000 ] - [ -0.0004530300000000, -0.0002042700000000, 0.0005486700000000 ] - [ 0.0012191600000000, 0.0002163600000000, 0.0007098500000000 ] - [ 0.1438681400000000, -0.0050658500000000, 0.1612570500000000 ] - [ -0.0042434900000000, 0.0000176000000000, 0.0001125300000000 ] - [ 0.0005487700000000, 0.0009182200000000, 0.0002718000000000 ] - [ -0.0005452600000000, -0.0013355100000000, 0.0002983000000000 ] - [ 0.0008323200000000, 0.0014837600000000, 0.0004157000000000 ] - [ -0.0014573800000000, -0.0000314400000000, -0.0002240700000000 ] - [ 0.0001929000000000, 0.0009597000000000, -0.0002062700000000 ] - [ 0.0013023400000000, -0.0029102800000000, -0.0041582100000000 ] - [ -0.0020906400000000, 0.0003802700000000, -0.0029301000000000 ] - [ 0.0005644200000000, 0.0006179300000000, 0.0001016000000000 ] - [ 0.0005516000000000, -0.0012792400000000, -0.0004746700000000 ] - [ 0.0003992000000000, 0.0002771900000000, -0.0002426200000000 ] - [ -0.0045673400000000, 0.0040414400000000, 0.0035778200000000 ] - [ -0.0191224200000000, -0.0030329000000000, 0.0026336000000000 ] - [ 0.0001571000000000, 0.0000208300000000, 0.0018302500000000 ] - [ -0.0004697200000000, -0.0002250500000000, 0.0001575300000000 ] - [ 0.0016366600000000, -0.0005522200000000, 0.0005432300000000 ] - [ -0.0011031600000000, -0.0002934500000000, 0.0002406100000000 ] - [ -0.0162641200000000, 0.0073588800000000, 0.0024416300000000 ] - [ -0.0037770600000000, -0.0046756000000000, 0.0014221700000000 ] - [ 0.0008147900000000, 0.0009884500000000, -0.0005644200000000 ] - [ -0.0006361200000000, -0.0021611200000000, -0.0000460700000000 ] - [ 0.0013649300000000, 0.0019353000000000, -0.0020457600000000 ] - [ -0.0021515700000000, -0.0010910800000000, -0.0003844300000000 ] - [ -0.0004458700000000, 0.0008520400000000, 0.0000909600000000 ] - [ 0.0006224000000000, -0.0024437100000000, -0.0015276600000000 ] - [ 0.0021580500000000, -0.0000116700000000, -0.0006492100000000 ] - [ -0.0025061700000000, 0.0000474300000000, -0.0010230800000000 ] - [ -0.0009938900000000, 0.0014996400000000, -0.0004370300000000 ] - [ 0.0004448500000000, -0.0026276000000000, 0.0013268700000000 ] - [ 0.0029784800000000, -0.0060302800000000, -0.0011454800000000 ] - [ -0.0022669300000000, 0.0002101800000000, 0.0008662600000000 ]- atom: 25 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0008050900000000, -0.0002275800000000, 0.0000521900000000 ] - [ 0.0010513200000000, 0.0000771500000000, 0.0005653500000000 ] - [ -0.0004662600000000, -0.0007022700000000, 0.0005958500000000 ] - [ 0.0004454800000000, 0.0003712600000000, -0.0000338400000000 ] - [ -0.0025756300000000, -0.0014130700000000, 0.0012129400000000 ] - [ 0.0009430500000000, 0.0001282800000000, -0.0004321700000000 ] - [ -0.0006995300000000, -0.0005480100000000, -0.0005891200000000 ] - [ 0.0008880400000000, 0.0005237600000000, -0.0001214500000000 ] - [ -0.0013996200000000, 0.0006854600000000, -0.0004349500000000 ] - [ 0.0003526900000000, 0.0002781900000000, 0.0000354700000000 ] - [ 0.0008359100000000, -0.0007041000000000, -0.0004887100000000 ] - [ 0.0001909900000000, 0.0001833200000000, -0.0000564500000000 ] - [ -0.0029743600000000, -0.0003271600000000, 0.0002880500000000 ] - [ -0.0259504400000000, -0.0115870200000000, -0.0177567200000000 ] - [ -0.0002414900000000, -0.0005213200000000, 0.0002800300000000 ] - [ -0.0000117700000000, 0.0006003900000000, 0.0000702300000000 ] - [ 0.0006083800000000, 0.0000407500000000, 0.0001020900000000 ] - [ -0.0005113000000000, -0.0005663900000000, 0.0000673300000000 ] - [ -0.0222628800000000, 0.0164776100000000, -0.0172579700000000 ] - [ -0.0027808300000000, 0.0002064700000000, 0.0001232600000000 ] - [ 0.0000205300000000, 0.0008151600000000, -0.0001098800000000 ] - [ 0.0000264300000000, -0.0024879700000000, -0.0005024500000000 ] - [ 0.0003612100000000, 0.0010983400000000, -0.0001796700000000 ] - [ -0.0006417100000000, -0.0002781800000000, -0.0000621200000000 ] - [ 0.1729857100000000, -0.0099611000000000, 0.1894412000000000 ] - [ -0.0012986000000000, 0.0000098500000000, -0.0004342200000000 ] - [ 0.0003383900000000, 0.0005311100000000, 0.0003335200000000 ] - [ -0.0002808800000000, -0.0006419600000000, -0.0000459200000000 ] - [ 0.0094539300000000, 0.0003765300000000, 0.0069247000000000 ] - [ -0.0014201700000000, -0.0000108700000000, 0.0006411500000000 ] - [ 0.0002111000000000, 0.0005299500000000, -0.0000778400000000 ] - [ -0.0002877600000000, -0.0004954900000000, 0.0003075500000000 ] - [ -0.0004664300000000, -0.0008006200000000, -0.0000518600000000 ] - [ 0.0006484900000000, 0.0002124200000000, -0.0000884100000000 ] - [ -0.0018324800000000, -0.0009252200000000, -0.0005537500000000 ] - [ 0.0014394600000000, 0.0009336600000000, -0.0002923600000000 ] - [ -0.0023885100000000, 0.0000249000000000, -0.0043346600000000 ] - [ -0.0001120500000000, 0.0001562000000000, 0.0003200000000000 ] - [ 0.0000353000000000, 0.0002028300000000, -0.0002678100000000 ] - [ 0.0000365200000000, -0.0005855200000000, 0.0003215300000000 ] - [ 0.0002211900000000, -0.0000805100000000, -0.0014302700000000 ] - [ 0.0000596600000000, 0.0001409300000000, -0.0004115300000000 ] - [ 0.0001996300000000, 0.0000619600000000, -0.0002417000000000 ] - [ 0.0002006900000000, -0.0005058900000000, -0.0005154700000000 ] - [ 0.0003386600000000, 0.0003823600000000, -0.0001459100000000 ] - [ -0.0004925000000000, 0.0000400700000000, -0.0002776300000000 ] - [ 0.0000407900000000, 0.0003481400000000, -0.0003587000000000 ] - [ 0.0001988900000000, 0.0001150900000000, -0.0014434200000000 ] - [ 0.0006324300000000, -0.0001167400000000, 0.0009934500000000 ] - [ -0.0005000700000000, -0.0001107600000000, -0.0000032000000000 ] - [ 0.0001323000000000, 0.0002546700000000, 0.0001599100000000 ] - [ -0.0026619000000000, -0.0041009000000000, -0.0039183600000000 ] - [ -0.0000973100000000, -0.0005599700000000, 0.0002250300000000 ] - [ 0.0001194300000000, -0.0001046400000000, 0.0000873600000000 ] - [ -0.0070160300000000, -0.0009692200000000, 0.0038089100000000 ] - [ -0.0035066800000000, 0.0006512800000000, 0.0000836900000000 ] - [ 0.0008139300000000, -0.0005299700000000, 0.0001563900000000 ] - [ -0.0006464000000000, -0.0002082600000000, 0.0000241700000000 ] - [ -0.0047141300000000, 0.0026365200000000, -0.0029607200000000 ] - [ -0.0001160200000000, -0.0010615800000000, 0.0011400200000000 ] - [ 0.0012977200000000, -0.0001307000000000, 0.0001808600000000 ] - [ -0.0006989900000000, -0.0001283800000000, 0.0002348600000000 ] - [ -0.0025894100000000, 0.0020174200000000, 0.0023255100000000 ] - [ -0.0007039700000000, -0.0005533200000000, 0.0003390800000000 ] - [ -0.0037727100000000, 0.0030546800000000, 0.0003069900000000 ] - [ -0.0022540200000000, -0.0022098400000000, 0.0023494800000000 ] - [ 0.0017941300000000, -0.0008961900000000, 0.0023649300000000 ] - [ -0.0003543400000000, -0.0000729700000000, -0.0000341000000000 ] - [ -0.0001639000000000, 0.0010928000000000, 0.0014667100000000 ] - [ -0.0044861900000000, -0.0027659700000000, -0.0031586500000000 ] - [ 0.0007626200000000, 0.0005442700000000, 0.0003484700000000 ] - [ -0.0002824700000000, -0.0000038900000000, 0.0001928500000000 ] - [ 0.0002306600000000, 0.0006120700000000, -0.0004922300000000 ] - [ -0.0004083400000000, -0.0005629300000000, 0.0004792900000000 ] - [ 0.0036133100000000, 0.0007587700000000, -0.0017797900000000 ] - [ -0.0011014800000000, -0.0001618400000000, 0.0003870000000000 ] - [ 0.0002543800000000, 0.0002425600000000, -0.0001263900000000 ] - [ -0.0004281200000000, -0.0006850400000000, -0.0006750900000000 ] - [ 0.0005093100000000, 0.0001555800000000, -0.0006174700000000 ] - [ -0.0011516700000000, -0.0002672300000000, -0.0007705000000000 ] - [ -0.1427283000000000, 0.0048122000000000, -0.1556037000000000 ] - [ 0.0041770100000000, -0.0001187200000000, -0.0001133500000000 ] - [ -0.0006215900000000, -0.0010120800000000, -0.0002732600000000 ] - [ 0.0004790800000000, 0.0012348800000000, -0.0003005900000000 ] - [ -0.0007738900000000, -0.0013787400000000, -0.0004049600000000 ] - [ 0.0015051000000000, 0.0001412400000000, 0.0002254000000000 ] - [ -0.0001435000000000, -0.0008478900000000, 0.0002075800000000 ] - [ -0.0012431600000000, 0.0030130600000000, 0.0041750200000000 ] - [ 0.0021396300000000, -0.0004763600000000, 0.0029415800000000 ] - [ -0.0004917800000000, -0.0007180600000000, -0.0001003400000000 ] - [ -0.0004841500000000, 0.0011794300000000, 0.0004779800000000 ] - [ -0.0003342700000000, -0.0003723800000000, 0.0002432500000000 ] - [ 0.0045141000000000, -0.0039623900000000, -0.0035908400000000 ] - [ 0.0189851300000000, 0.0031389400000000, -0.0026242900000000 ] - [ -0.0002069600000000, 0.0000830800000000, -0.0018411900000000 ] - [ 0.0004185000000000, 0.0003386900000000, -0.0001592500000000 ] - [ -0.0015250600000000, 0.0005577300000000, -0.0005359800000000 ] - [ 0.0012201800000000, 0.0002832600000000, -0.0002414300000000 ] - [ 0.0163350800000000, -0.0073531800000000, -0.0024416900000000 ] - [ 0.0038992600000000, 0.0047014900000000, -0.0014357500000000 ] - [ -0.0009332100000000, -0.0009957200000000, 0.0005676200000000 ] - [ 0.0005212800000000, 0.0021475700000000, 0.0000451800000000 ] - [ -0.0014748200000000, -0.0019485700000000, 0.0020626700000000 ] - [ 0.0020297800000000, 0.0010794100000000, 0.0003860100000000 ] - [ 0.0004433400000000, -0.0008525300000000, -0.0000916000000000 ] - [ -0.0006125100000000, 0.0024394900000000, 0.0015202300000000 ] - [ -0.0021863300000000, -0.0000540500000000, 0.0006723400000000 ] - [ 0.0025029200000000, -0.0000461700000000, 0.0010188000000000 ] - [ 0.0009934200000000, -0.0015045400000000, 0.0004404100000000 ] - [ -0.0004338800000000, 0.0026236100000000, -0.0013228400000000 ] - [ -0.0029724100000000, 0.0060736800000000, 0.0011556900000000 ] - [ 0.0022638100000000, -0.0002086100000000, -0.0008626500000000 ]- atom: 25 displacement: [ -0.0049999999846084, 0.0086602540467307, 0.0000000000000000 ] forces: - [ -0.0001962200000000, 0.0002435200000000, -0.0005636800000000 ] - [ 0.0000886000000000, 0.0001468900000000, -0.0000365400000000 ] - [ -0.0000424700000000, -0.0007280200000000, 0.0004439100000000 ] - [ -0.0000871200000000, -0.0000889500000000, -0.0001706200000000 ] - [ 0.0008786300000000, -0.0003490500000000, 0.0038949900000000 ] - [ 0.0001074700000000, 0.0001683500000000, 0.0000112000000000 ] - [ 0.0002787100000000, -0.0008830400000000, -0.0003292400000000 ] - [ -0.0005744900000000, -0.0002500000000000, 0.0003540200000000 ] - [ -0.0000549700000000, -0.0001535200000000, -0.0001064800000000 ] - [ 0.0012529400000000, -0.0008341300000000, -0.0002485700000000 ] - [ -0.0011592100000000, 0.0010131000000000, 0.0003998100000000 ] - [ -0.0003671100000000, 0.0005917500000000, -0.0000147100000000 ] - [ -0.0025899700000000, -0.0010051600000000, 0.0004389100000000 ] - [ 0.0104552200000000, -0.0035277100000000, 0.0016774400000000 ] - [ 0.0011073900000000, 0.0008276500000000, -0.0001871300000000 ] - [ -0.0002104000000000, 0.0009967000000000, 0.0000406200000000 ] - [ -0.0013603200000000, 0.0013436700000000, 0.0004047500000000 ] - [ -0.0001063000000000, 0.0002822700000000, 0.0000209700000000 ] - [ -0.0337465000000000, 0.0141586100000000, -0.0206384900000000 ] - [ -0.0006221000000000, -0.0009212400000000, -0.0002260300000000 ] - [ -0.0001973100000000, 0.0012348800000000, -0.0001336300000000 ] - [ -0.0003549200000000, 0.0020053800000000, 0.0005207300000000 ] - [ 0.0001706400000000, -0.0019603700000000, 0.0000063000000000 ] - [ -0.0001575400000000, -0.0007409600000000, -0.0000299600000000 ] - [ 0.0957452200000000, -0.0601552900000000, 0.1103597900000000 ] - [ -0.0006266200000000, -0.0003380800000000, -0.0003224600000000 ] - [ -0.0002585300000000, 0.0008051100000000, 0.0000196300000000 ] - [ 0.0004484000000000, 0.0006561400000000, 0.0001943100000000 ] - [ 0.0044303200000000, -0.0130210000000000, 0.0078387600000000 ] - [ -0.0006702500000000, -0.0004261700000000, 0.0004358900000000 ] - [ -0.0003218500000000, 0.0007341800000000, 0.0001958600000000 ] - [ 0.0003176000000000, 0.0003138700000000, -0.0001232300000000 ] - [ 0.0000619900000000, 0.0004302200000000, -0.0000600100000000 ] - [ 0.0004470900000000, 0.0005337400000000, -0.0001345800000000 ] - [ -0.0007318300000000, -0.0011264900000000, -0.0000393200000000 ] - [ -0.0004265300000000, -0.0008410200000000, 0.0002662600000000 ] - [ -0.0012003500000000, -0.0032592100000000, -0.0020641200000000 ] - [ 0.0000446000000000, -0.0003072900000000, 0.0001316800000000 ] - [ -0.0005233100000000, 0.0009939200000000, -0.0004510700000000 ] - [ 0.0001606100000000, 0.0005970700000000, -0.0001465000000000 ] - [ 0.0000112900000000, -0.0003313000000000, -0.0004390500000000 ] - [ 0.0001170300000000, -0.0003962000000000, -0.0001932600000000 ] - [ -0.0003717900000000, 0.0006145700000000, 0.0002134600000000 ] - [ 0.0001219300000000, 0.0003284400000000, -0.0000311700000000 ] - [ 0.0001478800000000, -0.0003496100000000, -0.0007268100000000 ] - [ -0.0001834600000000, -0.0001913700000000, -0.0000066200000000 ] - [ -0.0001828900000000, 0.0004265700000000, -0.0003161500000000 ] - [ -0.0004531300000000, -0.0005182900000000, 0.0016318600000000 ] - [ 0.0017450600000000, 0.0002340100000000, -0.0024504200000000 ] - [ -0.0002518200000000, -0.0003373400000000, -0.0002447300000000 ] - [ -0.0002507400000000, 0.0003952700000000, 0.0002365100000000 ] - [ 0.0022485000000000, 0.0043194500000000, 0.0043841700000000 ] - [ 0.0001489300000000, 0.0013246000000000, -0.0000814000000000 ] - [ 0.0002483600000000, 0.0027385600000000, 0.0006298200000000 ] - [ -0.0032215200000000, -0.0031825100000000, 0.0015905800000000 ] - [ -0.0018115400000000, -0.0048294300000000, 0.0000705700000000 ] - [ 0.0004921600000000, 0.0005069300000000, 0.0013666400000000 ] - [ -0.0002100200000000, 0.0002417200000000, -0.0000979900000000 ] - [ -0.0052866100000000, 0.0021630800000000, -0.0026830500000000 ] - [ -0.0000920700000000, -0.0009072600000000, -0.0000650500000000 ] - [ 0.0014315800000000, 0.0052200700000000, 0.0012406800000000 ] - [ -0.0003597100000000, 0.0002382300000000, 0.0003036400000000 ] - [ -0.0028245800000000, 0.0010111300000000, 0.0017065600000000 ] - [ 0.0015581400000000, -0.0011348000000000, -0.0023662400000000 ] - [ -0.0052442900000000, 0.0023545100000000, 0.0006548600000000 ] - [ 0.0005280800000000, -0.0008777800000000, 0.0003215300000000 ] - [ 0.0001969500000000, 0.0008043400000000, -0.0007906100000000 ] - [ -0.0000303100000000, 0.0005099400000000, -0.0003464700000000 ] - [ -0.0006884800000000, 0.0004102600000000, 0.0014420100000000 ] - [ 0.0007535300000000, -0.0004045000000000, 0.0000413800000000 ] - [ 0.0008268000000000, 0.0006096000000000, -0.0007435100000000 ] - [ -0.0001079100000000, 0.0006051800000000, 0.0004064300000000 ] - [ -0.0003574200000000, 0.0007257800000000, -0.0008251100000000 ] - [ 0.0005382400000000, 0.0002001500000000, -0.0005126400000000 ] - [ -0.0012767700000000, -0.0005496100000000, 0.0015698700000000 ] - [ -0.0001567700000000, -0.0001998200000000, 0.0003121000000000 ] - [ -0.0000666300000000, 0.0001733100000000, -0.0002243500000000 ] - [ 0.0002284800000000, 0.0003025500000000, 0.0002228500000000 ] - [ 0.0004345200000000, -0.0003555000000000, 0.0004459600000000 ] - [ -0.0004947800000000, -0.0001152300000000, -0.0003609000000000 ] - [ -0.0831823500000000, 0.0499789600000000, -0.0980824700000000 ] - [ 0.0022240200000000, 0.0010362700000000, -0.0000672800000000 ] - [ 0.0010194300000000, -0.0023175200000000, -0.0001691800000000 ] - [ -0.0011283300000000, -0.0008842000000000, 0.0000216100000000 ] - [ -0.0011711100000000, 0.0027564700000000, 0.0020421800000000 ] - [ 0.0004202300000000, 0.0008112900000000, 0.0002867500000000 ] - [ 0.0003547500000000, -0.0013224600000000, 0.0000216700000000 ] - [ 0.0016002700000000, -0.0023058300000000, -0.0045493200000000 ] - [ 0.0005689300000000, 0.0008310000000000, 0.0000153500000000 ] - [ -0.0003973000000000, 0.0012130100000000, 0.0000524300000000 ] - [ 0.0012988700000000, -0.0011439000000000, 0.0001306300000000 ] - [ -0.0001771800000000, -0.0010475700000000, 0.0001012300000000 ] - [ 0.0049590100000000, 0.0007180700000000, -0.0042612300000000 ] - [ -0.0025567900000000, 0.0040682000000000, 0.0006654800000000 ] - [ -0.0011134600000000, -0.0026154000000000, 0.0012099900000000 ] - [ 0.0004523100000000, -0.0019741200000000, 0.0000643000000000 ] - [ 0.0011125900000000, -0.0040991200000000, -0.0041007000000000 ] - [ 0.0000522900000000, -0.0012956900000000, -0.0001847500000000 ] - [ 0.0185495700000000, -0.0028886000000000, -0.0035051000000000 ] - [ 0.0012324500000000, 0.0050995200000000, 0.0012875600000000 ] - [ -0.0002327100000000, -0.0013020900000000, 0.0009459800000000 ] - [ 0.0001935800000000, -0.0016015200000000, 0.0003773700000000 ] - [ 0.0002688500000000, 0.0023941400000000, -0.0022611600000000 ] - [ 0.0000047600000000, 0.0010262000000000, -0.0001214600000000 ] - [ 0.0008859800000000, -0.0009875500000000, -0.0003926000000000 ] - [ -0.0011093800000000, -0.0003053500000000, -0.0002769000000000 ] - [ -0.0005744800000000, 0.0023307000000000, -0.0000475900000000 ] - [ 0.0019225800000000, 0.0002176500000000, 0.0006526400000000 ] - [ 0.0017307200000000, -0.0019081300000000, 0.0008001600000000 ] - [ -0.0026728200000000, -0.0012610400000000, 0.0006013700000000 ] - [ -0.0033029700000000, 0.0077201700000000, 0.0022625300000000 ] - [ 0.0015042500000000, 0.0001204400000000, -0.0004348900000000 ]- atom: 25 displacement: [ 0.0049999999846084, -0.0086602540467307, 0.0000000000000000 ] forces: - [ 0.0001801900000000, -0.0002193300000000, 0.0005728400000000 ] - [ -0.0000831800000000, -0.0001473900000000, 0.0000399400000000 ] - [ 0.0000439800000000, 0.0007268000000000, -0.0004457300000000 ] - [ 0.0000847300000000, 0.0000889000000000, 0.0001701600000000 ] - [ -0.0009765700000000, 0.0005919300000000, -0.0040652800000000 ] - [ -0.0001032400000000, -0.0001685600000000, -0.0000131400000000 ] - [ -0.0002795100000000, 0.0008824600000000, 0.0003304900000000 ] - [ 0.0005764700000000, 0.0002510200000000, -0.0003547700000000 ] - [ 0.0001208300000000, 0.0003488700000000, 0.0001021800000000 ] - [ -0.0011909400000000, 0.0010309500000000, 0.0002459100000000 ] - [ 0.0012232700000000, -0.0008168200000000, -0.0004041600000000 ] - [ 0.0004365600000000, -0.0003969200000000, 0.0000138700000000 ] - [ 0.0025107300000000, 0.0011902500000000, -0.0004338300000000 ] - [ -0.0106989100000000, 0.0036793000000000, -0.0017519500000000 ] - [ -0.0011831800000000, -0.0006358400000000, 0.0001901500000000 ] - [ 0.0001396400000000, -0.0008027200000000, -0.0000400100000000 ] - [ 0.0012230600000000, -0.0014974800000000, -0.0004006100000000 ] - [ -0.0000336800000000, -0.0004393600000000, -0.0000197800000000 ] - [ 0.0341658200000000, -0.0146211300000000, 0.0211150000000000 ] - [ 0.0004847200000000, 0.0007645500000000, 0.0002278900000000 ] - [ -0.0000058400000000, -0.0012668900000000, 0.0001316700000000 ] - [ 0.0001503700000000, -0.0020458200000000, -0.0005265100000000 ] - [ -0.0003757100000000, 0.0019283600000000, -0.0000111400000000 ] - [ -0.0000468700000000, 0.0007062300000000, 0.0000289700000000 ] - [ -0.0953401900000000, 0.0591833400000000, -0.1104875800000000 ] - [ 0.0006150100000000, 0.0004189000000000, 0.0002634000000000 ] - [ 0.0002497700000000, -0.0007249200000000, -0.0000765800000000 ] - [ -0.0004564900000000, -0.0005781900000000, -0.0002503800000000 ] - [ -0.0045140900000000, 0.0131056200000000, -0.0079500700000000 ] - [ 0.0006560500000000, 0.0005066900000000, -0.0003733900000000 ] - [ 0.0003113100000000, -0.0006543000000000, -0.0001352700000000 ] - [ -0.0003278000000000, -0.0002369100000000, 0.0001856000000000 ] - [ 0.0000677400000000, -0.0005897500000000, 0.0000589700000000 ] - [ -0.0003087500000000, -0.0006892200000000, 0.0001323900000000 ] - [ 0.0008667400000000, 0.0009708500000000, 0.0000339100000000 ] - [ 0.0005564200000000, 0.0006845800000000, -0.0002683000000000 ] - [ 0.0012133500000000, 0.0033526800000000, 0.0021082700000000 ] - [ -0.0000317600000000, 0.0003948400000000, -0.0000662000000000 ] - [ 0.0005368100000000, -0.0009051200000000, 0.0005135000000000 ] - [ -0.0001441300000000, -0.0005139600000000, 0.0002115700000000 ] - [ 0.0000146900000000, 0.0004145600000000, 0.0003539100000000 ] - [ -0.0001040900000000, 0.0004848100000000, 0.0001270800000000 ] - [ 0.0003871300000000, -0.0005282700000000, -0.0002808800000000 ] - [ -0.0001031600000000, -0.0002463900000000, -0.0000385700000000 ] - [ -0.0002268200000000, 0.0003119600000000, 0.0006538600000000 ] - [ 0.0001080800000000, 0.0001595400000000, -0.0000536300000000 ] - [ 0.0001085200000000, -0.0004574200000000, 0.0002560600000000 ] - [ 0.0003883400000000, 0.0005017200000000, -0.0017129500000000 ] - [ -0.0018096900000000, -0.0002678900000000, 0.0024976800000000 ] - [ 0.0001761300000000, 0.0003028100000000, 0.0003005000000000 ] - [ 0.0001768700000000, -0.0004272900000000, -0.0001785800000000 ] - [ -0.0023377400000000, -0.0043786700000000, -0.0043511800000000 ] - [ 0.0000523000000000, -0.0013646500000000, 0.0000836100000000 ] - [ -0.0000434100000000, -0.0027682900000000, -0.0006231300000000 ] - [ 0.0034192500000000, 0.0031157900000000, -0.0015751900000000 ] - [ 0.0020186900000000, 0.0048375800000000, -0.0000731900000000 ] - [ -0.0005512800000000, -0.0005722600000000, -0.0012868100000000 ] - [ 0.0001397100000000, -0.0002989000000000, 0.0001630400000000 ] - [ 0.0052565100000000, -0.0022352400000000, 0.0027726400000000 ] - [ 0.0000353100000000, 0.0008490800000000, 0.0001418100000000 ] - [ -0.0014758400000000, -0.0052244800000000, -0.0013005300000000 ] - [ 0.0002888700000000, -0.0002945500000000, -0.0003663700000000 ] - [ 0.0027666500000000, -0.0010655600000000, -0.0017782900000000 ] - [ -0.0016300100000000, 0.0010782400000000, 0.0023136000000000 ] - [ 0.0052541200000000, -0.0023532300000000, -0.0007138700000000 ] - [ -0.0004697600000000, 0.0008401300000000, -0.0003679100000000 ] - [ -0.0001255500000000, -0.0008324600000000, 0.0007331700000000 ] - [ 0.0001067000000000, -0.0005399100000000, 0.0002861400000000 ] - [ 0.0007673200000000, -0.0004450100000000, -0.0013697600000000 ] - [ -0.0007095300000000, 0.0003638400000000, 0.0000051700000000 ] - [ -0.0007579400000000, -0.0006363000000000, 0.0008149900000000 ] - [ 0.0001850400000000, -0.0006337400000000, -0.0003428100000000 ] - [ 0.0004207400000000, -0.0007725600000000, 0.0008782800000000 ] - [ -0.0004741400000000, -0.0002530900000000, 0.0005726100000000 ] - [ 0.0013414600000000, 0.0005020900000000, -0.0015151700000000 ] - [ 0.0002208200000000, 0.0001492200000000, -0.0002527400000000 ] - [ 0.0001327800000000, -0.0002262000000000, 0.0001592800000000 ] - [ -0.0001665600000000, -0.0003554800000000, -0.0002868600000000 ] - [ -0.0003779000000000, 0.0003078600000000, -0.0005142000000000 ] - [ 0.0005603000000000, 0.0000636900000000, 0.0002992200000000 ] - [ 0.0825474600000000, -0.0488107500000000, 0.0981741000000000 ] - [ -0.0022862100000000, -0.0011316600000000, 0.0000661100000000 ] - [ -0.0010872300000000, 0.0022157100000000, 0.0001666500000000 ] - [ 0.0010597200000000, 0.0007894000000000, -0.0000269400000000 ] - [ 0.0012245700000000, -0.0026455500000000, -0.0020233100000000 ] - [ -0.0003692700000000, -0.0007007000000000, -0.0002834000000000 ] - [ -0.0003065800000000, 0.0014297600000000, -0.0000204400000000 ] - [ -0.0015496800000000, 0.0024191100000000, 0.0045837600000000 ] - [ -0.0005094200000000, -0.0009282800000000, 0.0000113200000000 ] - [ 0.0004685000000000, -0.0013133600000000, -0.0000518900000000 ] - [ -0.0012294800000000, 0.0010470500000000, -0.0001260000000000 ] - [ 0.0002379000000000, 0.0009484500000000, -0.0000964500000000 ] - [ -0.0049816500000000, -0.0005833000000000, 0.0042214700000000 ] - [ 0.0026613700000000, -0.0039847800000000, -0.0006923200000000 ] - [ 0.0010674800000000, 0.0027249500000000, -0.0012263300000000 ] - [ -0.0005046900000000, 0.0020768900000000, -0.0000656300000000 ] - [ -0.0010007300000000, 0.0040804500000000, 0.0040666800000000 ] - [ 0.0000731100000000, 0.0012887300000000, 0.0001818400000000 ] - [ -0.0184911500000000, 0.0028666500000000, 0.0035337100000000 ] - [ -0.0011223800000000, -0.0051056200000000, -0.0013028000000000 ] - [ 0.0001099200000000, 0.0012880400000000, -0.0009351600000000 ] - [ -0.0003061000000000, 0.0015957800000000, -0.0003750800000000 ] - [ -0.0003834400000000, -0.0024122200000000, 0.0022769100000000 ] - [ -0.0001210600000000, -0.0010370200000000, 0.0001240300000000 ] - [ -0.0008829000000000, 0.0009867100000000, 0.0003917400000000 ] - [ 0.0011067200000000, 0.0003231300000000, 0.0002830400000000 ] - [ 0.0005523700000000, -0.0023937600000000, 0.0000715400000000 ] - [ -0.0019247200000000, -0.0002231100000000, -0.0006559500000000 ] - [ -0.0017199600000000, 0.0018969600000000, -0.0007944900000000 ] - [ 0.0026590700000000, 0.0012706800000000, -0.0006037300000000 ] - [ 0.0032365700000000, -0.0078150100000000, -0.0023415500000000 ] - [ -0.0015037500000000, -0.0001248600000000, 0.0004365300000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0020515200000000, -0.0033424500000000, -0.0025939000000000 ] - [ -0.0005956100000000, -0.0000895000000000, -0.0004983700000000 ] - [ 0.0001786000000000, 0.0005714000000000, -0.0004829600000000 ] - [ -0.0000692600000000, 0.0000076700000000, -0.0001087300000000 ] - [ -0.0013158500000000, 0.0026594600000000, 0.0004207800000000 ] - [ -0.0004140800000000, -0.0001086100000000, 0.0004121600000000 ] - [ 0.0009091100000000, -0.0000737200000000, 0.0005276400000000 ] - [ -0.0011398700000000, -0.0003511600000000, 0.0003704000000000 ] - [ 0.0013395700000000, -0.0005775900000000, 0.0009993800000000 ] - [ -0.0010025500000000, 0.0002840600000000, 0.0007032800000000 ] - [ -0.0012019200000000, 0.0010967000000000, 0.0010811600000000 ] - [ 0.0000708300000000, -0.0000431400000000, 0.0001543800000000 ] - [ 0.0001151600000000, 0.0003155600000000, -0.0003555600000000 ] - [ 0.0195630000000000, 0.0053257800000000, 0.0009675900000000 ] - [ 0.0000840500000000, 0.0005375300000000, -0.0007630000000000 ] - [ 0.0000438700000000, -0.0001212000000000, -0.0001240100000000 ] - [ -0.0004293800000000, 0.0000606000000000, -0.0003713000000000 ] - [ -0.0000165600000000, 0.0004241900000000, -0.0001623300000000 ] - [ 0.0206762400000000, -0.0100829800000000, 0.0007991500000000 ] - [ 0.0007383700000000, -0.0010461600000000, -0.0006218900000000 ] - [ -0.0000985200000000, -0.0005004800000000, 0.0002366100000000 ] - [ -0.0003725600000000, 0.0024821200000000, 0.0011890600000000 ] - [ -0.0005926300000000, -0.0004935500000000, 0.0019455200000000 ] - [ 0.0003407400000000, -0.0000609900000000, 0.0001078600000000 ] - [ -0.1987264300000000, 0.0166707700000000, -0.3867246400000000 ] - [ 0.0004007900000000, -0.0000639400000000, -0.0001510000000000 ] - [ -0.0003628500000000, -0.0001139200000000, -0.0004021300000000 ] - [ 0.0000128000000000, 0.0003044800000000, -0.0006568000000000 ] - [ 0.0070728500000000, -0.0050572100000000, 0.0390146700000000 ] - [ 0.0006055500000000, -0.0000749500000000, -0.0001816300000000 ] - [ -0.0001078200000000, -0.0002133200000000, -0.0000291100000000 ] - [ 0.0002735400000000, 0.0003766200000000, -0.0005237300000000 ] - [ 0.0001382600000000, 0.0004887700000000, 0.0001196500000000 ] - [ -0.0000028400000000, -0.0002605600000000, 0.0003269600000000 ] - [ 0.0017675700000000, 0.0005326700000000, 0.0013764900000000 ] - [ -0.0012700100000000, -0.0007029400000000, 0.0008631600000000 ] - [ 0.0043205900000000, -0.0000669000000000, 0.0074570900000000 ] - [ -0.0002812200000000, 0.0000949900000000, -0.0001132200000000 ] - [ -0.0002808100000000, 0.0004139800000000, 0.0001696800000000 ] - [ 0.0003049200000000, 0.0004249300000000, 0.0001678700000000 ] - [ -0.0013894900000000, 0.0003886800000000, 0.0043049500000000 ] - [ -0.0003720300000000, 0.0000765900000000, 0.0006760500000000 ] - [ -0.0004757900000000, 0.0003247700000000, 0.0006105300000000 ] - [ -0.0002041400000000, 0.0004472000000000, 0.0006118900000000 ] - [ 0.0006577000000000, 0.0002554700000000, 0.0033369200000000 ] - [ 0.0002491700000000, -0.0002308300000000, 0.0003909100000000 ] - [ -0.0000582400000000, -0.0003176000000000, 0.0003912200000000 ] - [ -0.0017133900000000, -0.0026133700000000, 0.0046835100000000 ] - [ -0.0025035500000000, -0.0025472400000000, 0.0042379000000000 ] - [ 0.0001709100000000, -0.0000474800000000, 0.0000103700000000 ] - [ -0.0003080700000000, -0.0001388500000000, 0.0000096900000000 ] - [ 0.0043264200000000, 0.0070593800000000, 0.0078842600000000 ] - [ 0.0002110400000000, 0.0007076800000000, -0.0005277500000000 ] - [ 0.0002035400000000, 0.0002515500000000, -0.0004653900000000 ] - [ -0.0018586900000000, -0.0010319200000000, -0.0012705300000000 ] - [ 0.0031413500000000, -0.0001689800000000, -0.0003554400000000 ] - [ -0.0000612700000000, 0.0016132500000000, -0.0007400900000000 ] - [ 0.0001774000000000, 0.0002824200000000, -0.0001352600000000 ] - [ 0.0031775100000000, -0.0018584100000000, 0.0018141500000000 ] - [ -0.0011306800000000, -0.0002917500000000, -0.0019780300000000 ] - [ -0.0003834500000000, -0.0006382900000000, -0.0017805700000000 ] - [ 0.0002774400000000, 0.0001583700000000, -0.0002561900000000 ] - [ 0.0020062300000000, -0.0016005400000000, -0.0025596400000000 ] - [ 0.0031158200000000, -0.0009646100000000, -0.0040952700000000 ] - [ 0.0013220200000000, -0.0005078800000000, -0.0017725200000000 ] - [ 0.0017781100000000, 0.0017021100000000, -0.0025581800000000 ] - [ -0.0022972600000000, 0.0017652600000000, -0.0040938500000000 ] - [ 0.0003714000000000, 0.0000969700000000, -0.0002525100000000 ] - [ -0.0012902200000000, 0.0006067300000000, -0.0007415600000000 ] - [ 0.0027575800000000, 0.0018721100000000, 0.0018117700000000 ] - [ 0.0001428600000000, -0.0013498400000000, -0.0019786200000000 ] - [ 0.0001661800000000, -0.0000841900000000, -0.0001384600000000 ] - [ 0.0003630300000000, -0.0008159800000000, 0.0006847900000000 ] - [ 0.0001057900000000, 0.0003444200000000, -0.0000751800000000 ] - [ -0.0033208200000000, -0.0001800800000000, 0.0036038100000000 ] - [ 0.0010218400000000, -0.0000786800000000, -0.0000762300000000 ] - [ -0.0000637600000000, 0.0001441900000000, 0.0006417600000000 ] - [ 0.0004419200000000, 0.0005933200000000, 0.0008037900000000 ] - [ 0.0011013200000000, 0.0000355900000000, 0.0030424300000000 ] - [ 0.0009290300000000, 0.0002013000000000, 0.0008028200000000 ] - [ 0.1607913100000000, -0.0087979400000000, 0.3391451200000000 ] - [ -0.0011133200000000, 0.0003522200000000, 0.0001533700000000 ] - [ 0.0005178500000000, 0.0002265900000000, 0.0004663400000000 ] - [ -0.0002058600000000, -0.0010578800000000, 0.0011575100000000 ] - [ 0.0012485000000000, 0.0006694200000000, -0.0066098200000000 ] - [ -0.0011768100000000, 0.0003156400000000, -0.0002594200000000 ] - [ 0.0000115300000000, 0.0005504400000000, -0.0004267600000000 ] - [ 0.0017905000000000, -0.0028658400000000, -0.0094175900000000 ] - [ -0.0017494100000000, 0.0007172300000000, -0.0075278400000000 ] - [ 0.0014780600000000, 0.0002259100000000, -0.0005440100000000 ] - [ 0.0012952900000000, -0.0013135700000000, -0.0008193100000000 ] - [ 0.0000187100000000, 0.0002855700000000, -0.0008603800000000 ] - [ 0.0008549300000000, -0.0011250300000000, 0.0035441600000000 ] - [ -0.0131359300000000, -0.0026202300000000, 0.0029104600000000 ] - [ -0.0000180700000000, -0.0001846300000000, 0.0046985000000000 ] - [ -0.0004586700000000, -0.0002215300000000, 0.0003766700000000 ] - [ 0.0007135400000000, -0.0013666600000000, 0.0027012700000000 ] - [ -0.0003827800000000, -0.0006878400000000, 0.0003105800000000 ] - [ -0.0121484300000000, 0.0054522100000000, 0.0029895000000000 ] - [ -0.0000697100000000, 0.0031198800000000, 0.0048573800000000 ] - [ 0.0000182600000000, 0.0005265400000000, -0.0013805500000000 ] - [ 0.0000008200000000, -0.0018803600000000, -0.0003603900000000 ] - [ 0.0017131700000000, 0.0004956600000000, -0.0072051600000000 ] - [ -0.0019861300000000, -0.0006885500000000, -0.0007594800000000 ] - [ 0.0004041600000000, -0.0002935700000000, -0.0004960200000000 ] - [ -0.0003514000000000, -0.0020767300000000, -0.0014071500000000 ] - [ 0.0052209800000000, 0.0101892700000000, -0.0057871600000000 ] - [ -0.0016008500000000, 0.0000714500000000, -0.0010101300000000 ] - [ -0.0003396300000000, 0.0002598000000000, 0.0002926900000000 ] - [ 0.0011658000000000, -0.0002052200000000, 0.0015091300000000 ] - [ -0.0048086900000000, -0.0112860100000000, -0.0001948600000000 ] - [ -0.0012096300000000, 0.0001258800000000, 0.0009049000000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0020388600000000, 0.0033149300000000, 0.0025883700000000 ] - [ 0.0005972700000000, 0.0000901800000000, 0.0005013100000000 ] - [ -0.0001838400000000, -0.0005708100000000, 0.0004861100000000 ] - [ 0.0000729900000000, -0.0000064600000000, 0.0001102100000000 ] - [ 0.0012309400000000, -0.0025266600000000, -0.0005210600000000 ] - [ 0.0004151800000000, 0.0001089600000000, -0.0004140600000000 ] - [ -0.0009122200000000, 0.0000737400000000, -0.0005302600000000 ] - [ 0.0011424800000000, 0.0003521600000000, -0.0003713700000000 ] - [ -0.0012938100000000, 0.0007703700000000, -0.0009984600000000 ] - [ 0.0010701200000000, -0.0001008400000000, -0.0007020200000000 ] - [ 0.0012685900000000, -0.0009195200000000, -0.0010804700000000 ] - [ -0.0000080700000000, 0.0002276400000000, -0.0001545400000000 ] - [ -0.0001710000000000, -0.0001338600000000, 0.0003536400000000 ] - [ -0.0195700500000000, -0.0051459600000000, -0.0010529800000000 ] - [ -0.0001542600000000, -0.0003611700000000, 0.0007629600000000 ] - [ -0.0001123300000000, 0.0003026500000000, 0.0001243800000000 ] - [ 0.0003064200000000, -0.0002121400000000, 0.0003678600000000 ] - [ -0.0001138100000000, -0.0005740100000000, 0.0001621400000000 ] - [ -0.0207715600000000, 0.0099288700000000, -0.0009052500000000 ] - [ -0.0008673100000000, 0.0009106100000000, 0.0006226500000000 ] - [ -0.0000933300000000, 0.0004689600000000, -0.0002365700000000 ] - [ 0.0001820400000000, -0.0025291100000000, -0.0011878700000000 ] - [ 0.0004057900000000, 0.0004671300000000, -0.0019461900000000 ] - [ -0.0005362600000000, 0.0000311900000000, -0.0001084700000000 ] - [ 0.1865976100000000, -0.0160410400000000, 0.3695274300000000 ] - [ -0.0003997900000000, 0.0001395000000000, 0.0001039900000000 ] - [ 0.0003675700000000, 0.0001854400000000, 0.0003562400000000 ] - [ -0.0000128100000000, -0.0002339300000000, 0.0006086000000000 ] - [ -0.0069592100000000, 0.0050651700000000, -0.0379658600000000 ] - [ -0.0006046300000000, 0.0001494300000000, 0.0002287900000000 ] - [ 0.0001129400000000, 0.0002859000000000, 0.0000737800000000 ] - [ -0.0002723900000000, -0.0003053200000000, 0.0005682900000000 ] - [ -0.0000128700000000, -0.0006392900000000, -0.0001194200000000 ] - [ 0.0001287100000000, 0.0001147100000000, -0.0003262900000000 ] - [ -0.0016573400000000, -0.0006863400000000, -0.0013759000000000 ] - [ 0.0014036400000000, 0.0005593800000000, -0.0008613500000000 ] - [ -0.0043758100000000, 0.0001234600000000, -0.0074731300000000 ] - [ 0.0002881200000000, -0.0000163200000000, 0.0001705900000000 ] - [ 0.0002891900000000, -0.0003407100000000, -0.0001118300000000 ] - [ -0.0003003300000000, -0.0003494300000000, -0.0001120100000000 ] - [ 0.0013829300000000, -0.0003077900000000, -0.0043541100000000 ] - [ 0.0003803100000000, 0.0000019900000000, -0.0007348200000000 ] - [ 0.0004829100000000, -0.0002491200000000, -0.0006654200000000 ] - [ 0.0002072200000000, -0.0003710800000000, -0.0006650900000000 ] - [ -0.0007137300000000, -0.0002841800000000, -0.0033800000000000 ] - [ -0.0003127900000000, 0.0001948000000000, -0.0004394400000000 ] - [ -0.0000020500000000, 0.0002803100000000, -0.0004401200000000 ] - [ 0.0016420200000000, 0.0025601600000000, -0.0047179200000000 ] - [ 0.0024533800000000, 0.0025377200000000, -0.0041969200000000 ] - [ -0.0002347600000000, 0.0000121200000000, 0.0000391700000000 ] - [ 0.0002462000000000, 0.0001011100000000, 0.0000387700000000 ] - [ -0.0043999500000000, -0.0070954100000000, -0.0078304500000000 ] - [ -0.0000218400000000, -0.0007520900000000, 0.0005270000000000 ] - [ -0.0000151100000000, -0.0002991900000000, 0.0004597200000000 ] - [ 0.0020777300000000, 0.0010082300000000, 0.0012529900000000 ] - [ -0.0029608200000000, 0.0001335400000000, 0.0003563700000000 ] - [ -0.0000049100000000, -0.0016545400000000, 0.0007804300000000 ] - [ -0.0002445100000000, -0.0003278000000000, 0.0001883700000000 ] - [ -0.0032593100000000, 0.0018260700000000, -0.0017687300000000 ] - [ 0.0010560800000000, 0.0002567800000000, 0.0020188800000000 ] - [ 0.0003099800000000, 0.0005528200000000, 0.0017180900000000 ] - [ -0.0003430600000000, -0.0002026400000000, 0.0002019100000000 ] - [ -0.0020735300000000, 0.0015618100000000, 0.0025094100000000 ] - [ -0.0031903800000000, 0.0009279900000000, 0.0040475400000000 ] - [ -0.0012294100000000, 0.0004591300000000, 0.0017271600000000 ] - [ -0.0017149300000000, -0.0017418800000000, 0.0025109300000000 ] - [ 0.0023730600000000, -0.0018027900000000, 0.0040486100000000 ] - [ -0.0003078100000000, -0.0001355900000000, 0.0002056500000000 ] - [ 0.0013522600000000, -0.0006452300000000, 0.0007781900000000 ] - [ -0.0027055700000000, -0.0019169600000000, -0.0017702200000000 ] - [ -0.0000739600000000, 0.0013093100000000, 0.0020190200000000 ] - [ -0.0001035100000000, 0.0000448700000000, 0.0001849500000000 ] - [ -0.0003002900000000, 0.0007785800000000, -0.0006327000000000 ] - [ -0.0000457400000000, -0.0003841900000000, 0.0001279600000000 ] - [ 0.0033748200000000, 0.0001339300000000, -0.0035502600000000 ] - [ -0.0009626300000000, 0.0000399600000000, 0.0001272200000000 ] - [ 0.0001262900000000, -0.0001782400000000, -0.0006891100000000 ] - [ -0.0003790900000000, -0.0006329600000000, -0.0008546000000000 ] - [ -0.0010277700000000, -0.0000747400000000, -0.0030841200000000 ] - [ -0.0008718500000000, -0.0002391100000000, -0.0008548500000000 ] - [ -0.1488596500000000, 0.0081180600000000, -0.3224307900000000 ] - [ 0.0010452200000000, -0.0004593300000000, -0.0001546700000000 ] - [ -0.0005892400000000, -0.0003226700000000, -0.0004655400000000 ] - [ 0.0001465200000000, 0.0009640400000000, -0.0011554400000000 ] - [ -0.0011990200000000, -0.0005782300000000, 0.0065955300000000 ] - [ 0.0012440300000000, -0.0002141700000000, 0.0002580100000000 ] - [ 0.0000436000000000, -0.0004439200000000, 0.0004265400000000 ] - [ -0.0017382000000000, 0.0029844400000000, 0.0093947400000000 ] - [ 0.0018160300000000, -0.0008241600000000, 0.0074900700000000 ] - [ -0.0014297100000000, -0.0003304600000000, 0.0005437100000000 ] - [ -0.0012444900000000, 0.0012210900000000, 0.0008166400000000 ] - [ 0.0000408400000000, -0.0003876400000000, 0.0008575600000000 ] - [ -0.0009423700000000, 0.0012446700000000, -0.0035157100000000 ] - [ 0.0131297200000000, 0.0027398700000000, -0.0029189400000000 ] - [ -0.0000353600000000, 0.0002919100000000, -0.0046910200000000 ] - [ 0.0004056800000000, 0.0003339900000000, -0.0003777900000000 ] - [ -0.0006025000000000, 0.0013885900000000, -0.0026640100000000 ] - [ 0.0005017500000000, 0.0006936400000000, -0.0003098900000000 ] - [ 0.0123250700000000, -0.0054880300000000, -0.0030058700000000 ] - [ 0.0001756100000000, -0.0031654500000000, -0.0048530500000000 ] - [ -0.0001345700000000, -0.0005316700000000, 0.0013755000000000 ] - [ -0.0001181100000000, 0.0018854700000000, 0.0003579400000000 ] - [ -0.0018445900000000, -0.0004952000000000, 0.0071899000000000 ] - [ 0.0018835800000000, 0.0006893300000000, 0.0007593000000000 ] - [ -0.0004047900000000, 0.0002941600000000, 0.0004999500000000 ] - [ 0.0003490900000000, 0.0020770800000000, 0.0014157000000000 ] - [ -0.0051775300000000, -0.0101031400000000, 0.0057690200000000 ] - [ 0.0016069800000000, -0.0000712100000000, 0.0010162000000000 ] - [ 0.0003343100000000, -0.0002537000000000, -0.0002994800000000 ] - [ -0.0011540500000000, 0.0002116200000000, -0.0015215400000000 ] - [ 0.0047891300000000, 0.0112544100000000, 0.0001059900000000 ] - [ 0.0012134600000000, -0.0001265100000000, -0.0009099200000000 ]- atom: 81 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0016131200000000, -0.0068937700000000, -0.0053825100000000 ] - [ 0.0030415900000000, 0.0003750000000000, 0.0018904800000000 ] - [ -0.0018712000000000, -0.0017301800000000, 0.0020760900000000 ] - [ 0.0018829600000000, 0.0012719900000000, 0.0000116400000000 ] - [ 0.0016131200000000, -0.0068937700000000, 0.0053825100000000 ] - [ 0.0030415900000000, 0.0003750000000000, -0.0018904800000000 ] - [ -0.0018712000000000, -0.0017301800000000, -0.0020760900000000 ] - [ 0.0018829600000000, 0.0012719900000000, -0.0000116400000000 ] - [ -0.0045772500000000, 0.0019450200000000, 0.0000000000000000 ] - [ 0.0034366300000000, -0.0003514300000000, 0.0000000000000000 ] - [ 0.0022563300000000, -0.0022317400000000, 0.0000000000000000 ] - [ 0.0004651600000000, 0.0005303900000000, 0.0000000000000000 ] - [ -0.0076667000000000, -0.0011879600000000, 0.0000000000000000 ] - [ 0.1175017400000000, 0.0868642700000000, 0.0000000000000000 ] - [ -0.0002909800000000, -0.0018259400000000, 0.0000000000000000 ] - [ -0.0003185800000000, 0.0017562400000000, 0.0000000000000000 ] - [ 0.0007878500000000, 0.0008249200000000, 0.0000000000000000 ] - [ -0.0011451800000000, -0.0020297000000000, 0.0000000000000000 ] - [ 0.0871910100000000, -0.0712970300000000, 0.0000000000000000 ] - [ -0.0077673000000000, 0.0021410000000000, 0.0000000000000000 ] - [ 0.0000996900000000, 0.0027043000000000, 0.0000000000000000 ] - [ 0.0002616900000000, -0.0069285000000000, 0.0000000000000000 ] - [ 0.0018721400000000, 0.0019305300000000, 0.0000000000000000 ] - [ -0.0016874400000000, -0.0006712100000000, 0.0000000000000000 ] - [ 0.1427002400000000, -0.0128315800000000, 0.1518405000000000 ] - [ -0.0042084200000000, 0.0002174300000000, -0.0011033700000000 ] - [ 0.0005801600000000, 0.0015913100000000, 0.0005266100000000 ] - [ -0.0005137200000000, -0.0015166300000000, -0.0002028900000000 ] - [ 0.1427002400000000, -0.0128315800000000, -0.1518405000000000 ] - [ -0.0042084200000000, 0.0002174300000000, 0.0011033700000000 ] - [ 0.0005801600000000, 0.0015913100000000, -0.0005266100000000 ] - [ -0.0005137200000000, -0.0015166300000000, 0.0002028900000000 ] - [ -0.0013427700000000, -0.0020748400000000, 0.0000000000000000 ] - [ 0.0015478400000000, 0.0012038900000000, 0.0000000000000000 ] - [ -0.0055190200000000, -0.0026428800000000, 0.0000000000000000 ] - [ 0.0047646800000000, 0.0024081000000000, 0.0000000000000000 ] - [ -0.0021161800000000, 0.0006470700000000, -0.0017524800000000 ] - [ 0.0005398300000000, 0.0002390000000000, 0.0014876500000000 ] - [ 0.0003757800000000, 0.0000657200000000, 0.0000218400000000 ] - [ 0.0005253000000000, -0.0017144600000000, 0.0013010000000000 ] - [ -0.0021161800000000, 0.0006470700000000, 0.0017524800000000 ] - [ 0.0005398300000000, 0.0002390000000000, -0.0014876500000000 ] - [ 0.0003757800000000, 0.0000657200000000, -0.0000218400000000 ] - [ 0.0005253000000000, -0.0017144600000000, -0.0013010000000000 ] - [ 0.0028994500000000, 0.0026528400000000, 0.0000428600000000 ] - [ -0.0013914500000000, 0.0000068500000000, -0.0004659000000000 ] - [ 0.0004197200000000, 0.0010151300000000, -0.0008632400000000 ] - [ -0.0028757000000000, -0.0053573200000000, 0.0033935900000000 ] - [ 0.0028994500000000, 0.0026528400000000, -0.0000428600000000 ] - [ -0.0013914500000000, 0.0000068500000000, 0.0004659000000000 ] - [ 0.0004197200000000, 0.0010151300000000, 0.0008632400000000 ] - [ -0.0028757000000000, -0.0053573200000000, -0.0033935900000000 ] - [ -0.0005026900000000, -0.0018866100000000, 0.0000000000000000 ] - [ 0.0001510200000000, 0.0015679300000000, 0.0000000000000000 ] - [ -0.0065031700000000, 0.0001525100000000, 0.0000000000000000 ] - [ -0.0165702800000000, 0.0056852000000000, 0.0000000000000000 ] - [ 0.0042016100000000, 0.0010347400000000, -0.0005444100000000 ] - [ -0.0020121400000000, -0.0006346200000000, -0.0004261200000000 ] - [ -0.0100155500000000, 0.0082798400000000, -0.0088313700000000 ] - [ -0.0028338500000000, -0.0016975800000000, -0.0001862800000000 ] - [ 0.0042016100000000, 0.0010347400000000, 0.0005444100000000 ] - [ -0.0020121400000000, -0.0006346200000000, 0.0004261200000000 ] - [ -0.0100155500000000, 0.0082798400000000, 0.0088313700000000 ] - [ -0.0028338500000000, -0.0016975800000000, 0.0001862800000000 ] - [ -0.0040165200000000, 0.0037811600000000, -0.0015404200000000 ] - [ -0.0116818200000000, -0.0100088700000000, 0.0108016100000000 ] - [ 0.0038654900000000, 0.0002387400000000, 0.0027541400000000 ] - [ -0.0010736200000000, 0.0002462100000000, -0.0004045900000000 ] - [ -0.0040165200000000, 0.0037811600000000, 0.0015404200000000 ] - [ -0.0116818200000000, -0.0100088700000000, -0.0108016100000000 ] - [ 0.0038654900000000, 0.0002387400000000, -0.0027541400000000 ] - [ -0.0010736200000000, 0.0002462100000000, 0.0004045900000000 ] - [ 0.0001180200000000, 0.0014174400000000, -0.0004674500000000 ] - [ -0.0010245700000000, -0.0017045100000000, 0.0015933100000000 ] - [ 0.0046663800000000, 0.0000554800000000, -0.0012906000000000 ] - [ -0.0033789800000000, -0.0005395100000000, 0.0016294900000000 ] - [ 0.0001180200000000, 0.0014174400000000, 0.0004674500000000 ] - [ -0.0010245700000000, -0.0017045100000000, -0.0015933100000000 ] - [ 0.0046663800000000, 0.0000554800000000, 0.0012906000000000 ] - [ -0.0033789800000000, -0.0005395100000000, -0.0016294900000000 ] - [ -0.5951425000000000, -0.0114414600000000, 0.0000000000000000 ] - [ 0.0121721400000000, -0.0006713400000000, 0.0000000000000000 ] - [ -0.0008812400000000, -0.0035739400000000, 0.0000000000000000 ] - [ 0.0007292900000000, 0.0044485300000000, 0.0000000000000000 ] - [ -0.0046119000000000, -0.0028965600000000, 0.0000000000000000 ] - [ 0.0045643300000000, 0.0000662400000000, 0.0000000000000000 ] - [ -0.0003277700000000, -0.0027493000000000, 0.0000000000000000 ] - [ -0.0033373000000000, 0.0080634600000000, 0.0000000000000000 ] - [ 0.0072481000000000, -0.0008502400000000, 0.0000000000000000 ] - [ -0.0042789000000000, -0.0012570300000000, 0.0000000000000000 ] - [ -0.0014778400000000, 0.0035447500000000, 0.0000000000000000 ] - [ -0.0014631200000000, -0.0017822900000000, 0.0000000000000000 ] - [ 0.0135044900000000, -0.0087738000000000, 0.0000000000000000 ] - [ 0.0836061900000000, 0.0320312800000000, 0.0000000000000000 ] - [ -0.0014925800000000, 0.0005518200000000, 0.0000000000000000 ] - [ 0.0017019500000000, -0.0003003900000000, 0.0000000000000000 ] - [ -0.0035580800000000, -0.0010610900000000, 0.0000000000000000 ] - [ 0.0035154900000000, 0.0013616100000000, 0.0000000000000000 ] - [ 0.0578471500000000, -0.0467979200000000, 0.0000000000000000 ] - [ 0.0112259500000000, 0.0067474700000000, 0.0000000000000000 ] - [ -0.0018185000000000, -0.0032029600000000, 0.0000000000000000 ] - [ 0.0013697200000000, 0.0058473300000000, 0.0000000000000000 ] - [ -0.0061675400000000, -0.0026071700000000, 0.0000000000000000 ] - [ 0.0060699500000000, 0.0031323800000000, 0.0000000000000000 ] - [ 0.0022167500000000, -0.0028372000000000, -0.0002937500000000 ] - [ -0.0041265200000000, 0.0072154200000000, 0.0059909500000000 ] - [ 0.0035907300000000, 0.0209125100000000, -0.0101566200000000 ] - [ 0.0071821500000000, -0.0010055400000000, 0.0035316900000000 ] - [ 0.0022167500000000, -0.0028372000000000, 0.0002937500000000 ] - [ -0.0041265200000000, 0.0072154200000000, -0.0059909500000000 ] - [ 0.0035907300000000, 0.0209125100000000, 0.0101566200000000 ] - [ 0.0071821500000000, -0.0010055400000000, -0.0035316900000000 ]- atom: 81 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0015897100000000, 0.0069192400000000, 0.0054292000000000 ] - [ -0.0030453600000000, -0.0003733100000000, -0.0018865200000000 ] - [ 0.0018644500000000, 0.0017366600000000, -0.0020770500000000 ] - [ -0.0018807100000000, -0.0012756500000000, -0.0000069400000000 ] - [ -0.0015897100000000, 0.0069192400000000, -0.0054292000000000 ] - [ -0.0030453600000000, -0.0003733100000000, 0.0018865200000000 ] - [ 0.0018644500000000, 0.0017366600000000, 0.0020770500000000 ] - [ -0.0018807100000000, -0.0012756500000000, 0.0000069400000000 ] - [ 0.0046317300000000, -0.0017437300000000, 0.0000000000000000 ] - [ -0.0033623300000000, 0.0005418400000000, 0.0000000000000000 ] - [ -0.0021789200000000, 0.0024131600000000, 0.0000000000000000 ] - [ -0.0004020600000000, -0.0003392700000000, 0.0000000000000000 ] - [ 0.0076459800000000, 0.0013815800000000, 0.0000000000000000 ] - [ -0.1125504100000000, -0.0804759300000000, 0.0000000000000000 ] - [ 0.0002115400000000, 0.0020103300000000, 0.0000000000000000 ] - [ 0.0002449200000000, -0.0015703900000000, 0.0000000000000000 ] - [ -0.0009271500000000, -0.0009831800000000, 0.0000000000000000 ] - [ 0.0010164200000000, 0.0018697800000000, 0.0000000000000000 ] - [ -0.0853828200000000, 0.0672071200000000, 0.0000000000000000 ] - [ 0.0076579200000000, -0.0022755100000000, 0.0000000000000000 ] - [ -0.0003013600000000, -0.0027440600000000, 0.0000000000000000 ] - [ -0.0004585800000000, 0.0068777200000000, 0.0000000000000000 ] - [ -0.0020666700000000, -0.0019583500000000, 0.0000000000000000 ] - [ 0.0014860300000000, 0.0006460700000000, 0.0000000000000000 ] - [ -0.1438889400000000, 0.0130735300000000, -0.1576230500000000 ] - [ 0.0042083300000000, -0.0001305700000000, 0.0010548300000000 ] - [ -0.0005846600000000, -0.0015162800000000, -0.0005839800000000 ] - [ 0.0005081100000000, 0.0015980800000000, 0.0001482100000000 ] - [ -0.1438889400000000, 0.0130735300000000, 0.1576230500000000 ] - [ 0.0042083300000000, -0.0001305700000000, -0.0010548300000000 ] - [ -0.0005846600000000, -0.0015162800000000, 0.0005839800000000 ] - [ 0.0005081100000000, 0.0015980800000000, -0.0001482100000000 ] - [ 0.0014794000000000, 0.0019181000000000, 0.0000000000000000 ] - [ -0.0014250400000000, -0.0013605900000000, 0.0000000000000000 ] - [ 0.0056444900000000, 0.0024914400000000, 0.0000000000000000 ] - [ -0.0046236700000000, -0.0025593600000000, 0.0000000000000000 ] - [ 0.0021173500000000, -0.0005499900000000, 0.0018189200000000 ] - [ -0.0005227000000000, -0.0001521800000000, -0.0014190700000000 ] - [ -0.0003558800000000, 0.0000093800000000, 0.0000485100000000 ] - [ -0.0005160900000000, 0.0018003800000000, -0.0012386400000000 ] - [ 0.0021173500000000, -0.0005499900000000, -0.0018189200000000 ] - [ -0.0005227000000000, -0.0001521800000000, 0.0014190700000000 ] - [ -0.0003558800000000, 0.0000093800000000, -0.0000485100000000 ] - [ -0.0005160900000000, 0.0018003800000000, 0.0012386400000000 ] - [ -0.0029708400000000, -0.0026756800000000, -0.0000998300000000 ] - [ 0.0013203100000000, -0.0000387000000000, 0.0004062100000000 ] - [ -0.0004906500000000, -0.0010511200000000, 0.0008051000000000 ] - [ 0.0027895200000000, 0.0053058200000000, -0.0034436500000000 ] - [ -0.0029708400000000, -0.0026756800000000, 0.0000998300000000 ] - [ 0.0013203100000000, -0.0000387000000000, -0.0004062100000000 ] - [ -0.0004906500000000, -0.0010511200000000, -0.0008051000000000 ] - [ 0.0027895200000000, 0.0053058200000000, 0.0034436500000000 ] - [ 0.0007012400000000, 0.0018315600000000, 0.0000000000000000 ] - [ 0.0000449300000000, -0.0016079600000000, 0.0000000000000000 ] - [ 0.0067774500000000, -0.0001595400000000, 0.0000000000000000 ] - [ 0.0168266400000000, -0.0057065300000000, 0.0000000000000000 ] - [ -0.0042839600000000, -0.0011001800000000, 0.0006087100000000 ] - [ 0.0019481200000000, 0.0005758800000000, 0.0004913900000000 ] - [ 0.0100200400000000, -0.0083232900000000, 0.0089462300000000 ] - [ 0.0027521400000000, 0.0016745500000000, 0.0002222700000000 ] - [ -0.0042839600000000, -0.0011001800000000, -0.0006087100000000 ] - [ 0.0019481200000000, 0.0005758800000000, -0.0004913900000000 ] - [ 0.0100200400000000, -0.0083232900000000, -0.0089462300000000 ] - [ 0.0027521400000000, 0.0016745500000000, -0.0002222700000000 ] - [ 0.0041242400000000, -0.0038515400000000, 0.0015005900000000 ] - [ 0.0118193900000000, 0.0099508800000000, -0.0109118500000000 ] - [ -0.0037929200000000, -0.0002820700000000, -0.0028167300000000 ] - [ 0.0011492000000000, -0.0002798400000000, 0.0003490100000000 ] - [ 0.0041242400000000, -0.0038515400000000, -0.0015005900000000 ] - [ 0.0118193900000000, 0.0099508800000000, 0.0109118500000000 ] - [ -0.0037929200000000, -0.0002820700000000, 0.0028167300000000 ] - [ 0.0011492000000000, -0.0002798400000000, -0.0003490100000000 ] - [ -0.0000562900000000, -0.0014676700000000, 0.0005292000000000 ] - [ 0.0010925700000000, 0.0016541800000000, -0.0015329300000000 ] - [ -0.0046010900000000, -0.0001101600000000, 0.0013509200000000 ] - [ 0.0034458500000000, 0.0004925400000000, -0.0015701000000000 ] - [ -0.0000562900000000, -0.0014676700000000, -0.0005292000000000 ] - [ 0.0010925700000000, 0.0016541800000000, 0.0015329300000000 ] - [ -0.0046010900000000, -0.0001101600000000, -0.0013509200000000 ] - [ 0.0034458500000000, 0.0004925400000000, 0.0015701000000000 ] - [ 0.5896456799999999, 0.0087587600000000, 0.0000000000000000 ] - [ -0.0122853800000000, 0.0005623400000000, 0.0000000000000000 ] - [ 0.0008088000000000, 0.0034869200000000, 0.0000000000000000 ] - [ -0.0007971100000000, -0.0045405200000000, 0.0000000000000000 ] - [ 0.0046566000000000, 0.0029894200000000, 0.0000000000000000 ] - [ -0.0045089600000000, 0.0000332800000000, 0.0000000000000000 ] - [ 0.0003814600000000, 0.0028649800000000, 0.0000000000000000 ] - [ 0.0033772400000000, -0.0079375600000000, 0.0000000000000000 ] - [ -0.0071796000000000, 0.0007402900000000, 0.0000000000000000 ] - [ 0.0043229700000000, 0.0011567700000000, 0.0000000000000000 ] - [ 0.0015207600000000, -0.0036319100000000, 0.0000000000000000 ] - [ 0.0015339500000000, 0.0016850700000000, 0.0000000000000000 ] - [ -0.0136696600000000, 0.0089868500000000, 0.0000000000000000 ] - [ -0.0833137300000000, -0.0313541100000000, 0.0000000000000000 ] - [ 0.0014522900000000, -0.0004135200000000, 0.0000000000000000 ] - [ -0.0017507000000000, 0.0004067300000000, 0.0000000000000000 ] - [ 0.0036948700000000, 0.0010568200000000, 0.0000000000000000 ] - [ -0.0034049200000000, -0.0013483200000000, 0.0000000000000000 ] - [ -0.0576656900000000, 0.0462652600000000, 0.0000000000000000 ] - [ -0.0111743700000000, -0.0069208100000000, 0.0000000000000000 ] - [ 0.0017129900000000, 0.0032017600000000, 0.0000000000000000 ] - [ -0.0014948400000000, -0.0058480700000000, 0.0000000000000000 ] - [ 0.0060297500000000, 0.0026055700000000, 0.0000000000000000 ] - [ -0.0061768800000000, -0.0031471600000000, 0.0000000000000000 ] - [ -0.0022317100000000, 0.0028614000000000, 0.0003074300000000 ] - [ 0.0041244200000000, -0.0072334600000000, -0.0059988700000000 ] - [ -0.0034789900000000, -0.0209192400000000, 0.0101805800000000 ] - [ -0.0071961700000000, 0.0009968300000000, -0.0035282000000000 ] - [ -0.0022317100000000, 0.0028614000000000, -0.0003074300000000 ] - [ 0.0041244200000000, -0.0072334600000000, 0.0059988700000000 ] - [ -0.0034789900000000, -0.0209192400000000, -0.0101805800000000 ] - [ -0.0071961700000000, 0.0009968300000000, 0.0035282000000000 ]- atom: 81 displacement: [ -0.0049999999846084, 0.0086602540467307, 0.0000000000000000 ] forces: - [ -0.0025661800000000, 0.0017497200000000, 0.0047452900000000 ] - [ 0.0003095100000000, -0.0010149300000000, 0.0000083600000000 ] - [ 0.0008661800000000, 0.0030763900000000, -0.0028499100000000 ] - [ -0.0010171800000000, 0.0002968200000000, -0.0000761600000000 ] - [ -0.0025661800000000, 0.0017497200000000, -0.0047452900000000 ] - [ 0.0003095100000000, -0.0010149300000000, -0.0000083600000000 ] - [ 0.0008661800000000, 0.0030763900000000, 0.0028499100000000 ] - [ -0.0010171800000000, 0.0002968200000000, 0.0000761600000000 ] - [ 0.0014978100000000, -0.0001530500000000, 0.0000000000000000 ] - [ -0.0033741100000000, 0.0021855100000000, 0.0000000000000000 ] - [ -0.0017301900000000, 0.0007705200000000, 0.0000000000000000 ] - [ 0.0024935600000000, -0.0018019300000000, 0.0000000000000000 ] - [ 0.0046961500000000, 0.0015307600000000, 0.0000000000000000 ] - [ 0.0048952100000000, 0.0704754100000000, 0.0000000000000000 ] - [ -0.0047764900000000, -0.0018061900000000, 0.0000000000000000 ] - [ 0.0014814300000000, -0.0028218200000000, 0.0000000000000000 ] - [ 0.0042742600000000, -0.0041787500000000, 0.0000000000000000 ] - [ -0.0010126500000000, -0.0005263500000000, 0.0000000000000000 ] - [ -0.0828582400000000, 0.1509619100000000, 0.0000000000000000 ] - [ 0.0034675100000000, -0.0007055100000000, 0.0000000000000000 ] - [ 0.0003277600000000, -0.0032088200000000, 0.0000000000000000 ] - [ -0.0007259700000000, 0.0017124300000000, 0.0000000000000000 ] - [ -0.0012506500000000, 0.0028731400000000, 0.0000000000000000 ] - [ 0.0006844000000000, 0.0013166000000000, 0.0000000000000000 ] - [ -0.0756570500000000, 0.0527987100000000, -0.0848329300000000 ] - [ 0.0021660500000000, 0.0010629100000000, 0.0008679600000000 ] - [ 0.0005504400000000, -0.0025295500000000, -0.0000608400000000 ] - [ -0.0008551600000000, -0.0006690700000000, -0.0008114300000000 ] - [ -0.0756570500000000, 0.0527987100000000, 0.0848329300000000 ] - [ 0.0021660500000000, 0.0010629100000000, -0.0008679600000000 ] - [ 0.0005504400000000, -0.0025295500000000, 0.0000608400000000 ] - [ -0.0008551600000000, -0.0006690700000000, 0.0008114300000000 ] - [ -0.0012607300000000, -0.0005666300000000, 0.0000000000000000 ] - [ 0.0004247900000000, -0.0008986400000000, 0.0000000000000000 ] - [ 0.0033981700000000, 0.0017430600000000, 0.0000000000000000 ] - [ -0.0015247600000000, 0.0001723800000000, 0.0000000000000000 ] - [ 0.0006818800000000, 0.0008341200000000, 0.0002513800000000 ] - [ -0.0008413700000000, 0.0015322300000000, -0.0009387400000000 ] - [ -0.0004603200000000, -0.0008181200000000, -0.0002537300000000 ] - [ 0.0008026100000000, -0.0007972500000000, 0.0004904100000000 ] - [ 0.0006818800000000, 0.0008341200000000, -0.0002513800000000 ] - [ -0.0008413700000000, 0.0015322300000000, 0.0009387400000000 ] - [ -0.0004603200000000, -0.0008181200000000, 0.0002537300000000 ] - [ 0.0008026100000000, -0.0007972500000000, -0.0004904100000000 ] - [ -0.0012245100000000, 0.0002228200000000, -0.0012491000000000 ] - [ 0.0003058500000000, 0.0003684400000000, -0.0000106700000000 ] - [ 0.0003692000000000, -0.0015023000000000, 0.0011857300000000 ] - [ 0.0015400100000000, 0.0023463800000000, -0.0017811900000000 ] - [ -0.0012245100000000, 0.0002228200000000, 0.0012491000000000 ] - [ 0.0003058500000000, 0.0003684400000000, 0.0000106700000000 ] - [ 0.0003692000000000, -0.0015023000000000, -0.0011857300000000 ] - [ 0.0015400100000000, 0.0023463800000000, 0.0017811900000000 ] - [ -0.0003452000000000, -0.0036669900000000, 0.0000000000000000 ] - [ 0.0002840700000000, -0.0069292400000000, 0.0000000000000000 ] - [ 0.0033554600000000, 0.0013618400000000, 0.0000000000000000 ] - [ 0.0122462800000000, 0.0324052400000000, 0.0000000000000000 ] - [ -0.0004694000000000, -0.0055426000000000, -0.0008808800000000 ] - [ -0.0000607000000000, -0.0005488300000000, 0.0004610500000000 ] - [ 0.0216502800000000, -0.0095022900000000, 0.0131943700000000 ] - [ 0.0008734200000000, 0.0007208600000000, 0.0000159000000000 ] - [ -0.0004694000000000, -0.0055426000000000, 0.0008808800000000 ] - [ -0.0000607000000000, -0.0005488300000000, -0.0004610500000000 ] - [ 0.0216502800000000, -0.0095022900000000, -0.0131943700000000 ] - [ 0.0008734200000000, 0.0007208600000000, -0.0000159000000000 ] - [ 0.0030546000000000, -0.0013990000000000, 0.0008393700000000 ] - [ -0.0066957100000000, 0.0018455800000000, 0.0013243400000000 ] - [ -0.0049663600000000, -0.0040193300000000, -0.0026809900000000 ] - [ 0.0011489300000000, -0.0016327300000000, 0.0007984200000000 ] - [ 0.0030546000000000, -0.0013990000000000, -0.0008393700000000 ] - [ -0.0066957100000000, 0.0018455800000000, -0.0013243400000000 ] - [ -0.0049663600000000, -0.0040193300000000, 0.0026809900000000 ] - [ 0.0011489300000000, -0.0016327300000000, -0.0007984200000000 ] - [ 0.0006433500000000, -0.0008565100000000, 0.0004483500000000 ] - [ -0.0009423000000000, 0.0004215400000000, 0.0003997300000000 ] - [ -0.0028520600000000, 0.0005296900000000, -0.0004353900000000 ] - [ 0.0031127000000000, 0.0000243500000000, -0.0016342500000000 ] - [ 0.0006433500000000, -0.0008565100000000, -0.0004483500000000 ] - [ -0.0009423000000000, 0.0004215400000000, -0.0003997300000000 ] - [ -0.0028520600000000, 0.0005296900000000, 0.0004353900000000 ] - [ 0.0031127000000000, 0.0000243500000000, 0.0016342500000000 ] - [ 0.2817584100000000, -0.3337829100000000, 0.0000000000000000 ] - [ -0.0066796700000000, -0.0007786600000000, 0.0000000000000000 ] - [ -0.0026780900000000, 0.0071229300000000, 0.0000000000000000 ] - [ 0.0034815200000000, 0.0015368000000000, 0.0000000000000000 ] - [ 0.0033447700000000, -0.0033963200000000, 0.0000000000000000 ] - [ -0.0017902900000000, -0.0014149100000000, 0.0000000000000000 ] - [ -0.0017930300000000, 0.0042405000000000, 0.0000000000000000 ] - [ 0.0030503600000000, -0.0020579300000000, 0.0000000000000000 ] - [ -0.0028839000000000, -0.0001551700000000, 0.0000000000000000 ] - [ 0.0032194400000000, -0.0026241400000000, 0.0000000000000000 ] - [ 0.0022659200000000, -0.0002959800000000, 0.0000000000000000 ] - [ -0.0023245700000000, 0.0023609600000000, 0.0000000000000000 ] - [ -0.0087134200000000, 0.0018663000000000, 0.0000000000000000 ] - [ 0.0247562500000000, -0.0274118400000000, 0.0000000000000000 ] - [ 0.0060296800000000, 0.0098295300000000, 0.0000000000000000 ] - [ -0.0034133300000000, 0.0053831500000000, 0.0000000000000000 ] - [ -0.0048899700000000, 0.0129077400000000, 0.0000000000000000 ] - [ 0.0017152000000000, 0.0029505400000000, 0.0000000000000000 ] - [ -0.1080221400000000, 0.0334480400000000, 0.0000000000000000 ] - [ -0.0045264900000000, -0.0043671100000000, 0.0000000000000000 ] - [ -0.0009314300000000, 0.0026912700000000, 0.0000000000000000 ] - [ 0.0012178300000000, -0.0003341600000000, 0.0000000000000000 ] - [ 0.0026332300000000, -0.0024741300000000, 0.0000000000000000 ] - [ -0.0034609000000000, -0.0030532000000000, 0.0000000000000000 ] - [ -0.0014687300000000, 0.0023948200000000, 0.0002606400000000 ] - [ 0.0034851800000000, 0.0020951100000000, 0.0016649000000000 ] - [ 0.0042965400000000, -0.0119460200000000, -0.0012506200000000 ] - [ -0.0087963400000000, -0.0007600800000000, -0.0039260100000000 ] - [ -0.0014687300000000, 0.0023948200000000, -0.0002606400000000 ] - [ 0.0034851800000000, 0.0020951100000000, -0.0016649000000000 ] - [ 0.0042965400000000, -0.0119460200000000, 0.0012506200000000 ] - [ -0.0087963400000000, -0.0007600800000000, 0.0039260100000000 ]- atom: 81 displacement: [ 0.0049999999846084, -0.0086602540467307, 0.0000000000000000 ] forces: - [ 0.0025532700000000, -0.0017371000000000, -0.0046789800000000 ] - [ -0.0003189900000000, 0.0010152100000000, -0.0000118300000000 ] - [ -0.0008704100000000, -0.0030773200000000, 0.0028609100000000 ] - [ 0.0010251200000000, -0.0002924600000000, 0.0000794200000000 ] - [ 0.0025532700000000, -0.0017371000000000, 0.0046789800000000 ] - [ -0.0003189900000000, 0.0010152100000000, 0.0000118300000000 ] - [ -0.0008704100000000, -0.0030773200000000, -0.0028609100000000 ] - [ 0.0010251200000000, -0.0002924600000000, -0.0000794200000000 ] - [ -0.0014460900000000, 0.0003522100000000, 0.0000000000000000 ] - [ 0.0034369200000000, -0.0019930000000000, 0.0000000000000000 ] - [ 0.0018124200000000, -0.0005984100000000, 0.0000000000000000 ] - [ -0.0024325100000000, 0.0019879900000000, 0.0000000000000000 ] - [ -0.0047467000000000, -0.0013299200000000, 0.0000000000000000 ] - [ -0.0045462300000000, -0.0707771500000000, 0.0000000000000000 ] - [ 0.0047194800000000, 0.0019934700000000, 0.0000000000000000 ] - [ -0.0015557800000000, 0.0029981100000000, 0.0000000000000000 ] - [ -0.0043780800000000, 0.0040058200000000, 0.0000000000000000 ] - [ 0.0008859400000000, 0.0003801100000000, 0.0000000000000000 ] - [ 0.0922352700000000, -0.1644463600000000, 0.0000000000000000 ] - [ -0.0036092100000000, 0.0005681200000000, 0.0000000000000000 ] - [ -0.0005252700000000, 0.0031677200000000, 0.0000000000000000 ] - [ 0.0005326700000000, -0.0017720900000000, 0.0000000000000000 ] - [ 0.0010571600000000, -0.0028953900000000, 0.0000000000000000 ] - [ -0.0008823500000000, -0.0013399600000000, 0.0000000000000000 ] - [ 0.0761876800000000, -0.0539915600000000, 0.0845016300000000 ] - [ -0.0021676800000000, -0.0009903800000000, -0.0009171800000000 ] - [ -0.0005422800000000, 0.0025988800000000, 0.0000163400000000 ] - [ 0.0008547200000000, 0.0007380300000000, 0.0007633900000000 ] - [ 0.0761876800000000, -0.0539915600000000, -0.0845016300000000 ] - [ -0.0021676800000000, -0.0009903800000000, 0.0009171800000000 ] - [ -0.0005422800000000, 0.0025988800000000, -0.0000163400000000 ] - [ 0.0008547200000000, 0.0007380300000000, -0.0007633900000000 ] - [ 0.0013934500000000, 0.0004120100000000, 0.0000000000000000 ] - [ -0.0003030600000000, 0.0007442000000000, 0.0000000000000000 ] - [ -0.0032769000000000, -0.0018900100000000, 0.0000000000000000 ] - [ 0.0016624300000000, -0.0003159000000000, 0.0000000000000000 ] - [ -0.0006856000000000, -0.0007454200000000, -0.0001955500000000 ] - [ 0.0008513300000000, -0.0014570400000000, 0.0009995700000000 ] - [ 0.0004732400000000, 0.0008874800000000, 0.0003183800000000 ] - [ -0.0008024000000000, 0.0008711300000000, -0.0004345200000000 ] - [ -0.0006856000000000, -0.0007454200000000, 0.0001955500000000 ] - [ 0.0008513300000000, -0.0014570400000000, -0.0009995700000000 ] - [ 0.0004732400000000, 0.0008874800000000, -0.0003183800000000 ] - [ -0.0008024000000000, 0.0008711300000000, 0.0004345200000000 ] - [ 0.0011596800000000, -0.0002455400000000, 0.0011964200000000 ] - [ -0.0003647000000000, -0.0003991400000000, -0.0000426900000000 ] - [ -0.0004303600000000, 0.0014619800000000, -0.0012375600000000 ] - [ -0.0016189900000000, -0.0024118900000000, 0.0017473100000000 ] - [ 0.0011596800000000, -0.0002455400000000, -0.0011964200000000 ] - [ -0.0003647000000000, -0.0003991400000000, 0.0000426900000000 ] - [ -0.0004303600000000, 0.0014619800000000, 0.0012375600000000 ] - [ -0.0016189900000000, -0.0024118900000000, -0.0017473100000000 ] - [ 0.0005431000000000, 0.0036383700000000, 0.0000000000000000 ] - [ -0.0000950900000000, 0.0068338300000000, 0.0000000000000000 ] - [ -0.0031742500000000, -0.0013555500000000, 0.0000000000000000 ] - [ -0.0121121800000000, -0.0325674700000000, 0.0000000000000000 ] - [ 0.0003848000000000, 0.0054306400000000, 0.0009182400000000 ] - [ 0.0000037500000000, 0.0005095100000000, -0.0004034600000000 ] - [ -0.0216799700000000, 0.0094763100000000, -0.0130714700000000 ] - [ -0.0009467600000000, -0.0007584100000000, 0.0000349900000000 ] - [ 0.0003848000000000, 0.0054306400000000, -0.0009182400000000 ] - [ 0.0000037500000000, 0.0005095100000000, 0.0004034600000000 ] - [ -0.0216799700000000, 0.0094763100000000, 0.0130714700000000 ] - [ -0.0009467600000000, -0.0007584100000000, -0.0000349900000000 ] - [ -0.0029617500000000, 0.0013679600000000, -0.0008898100000000 ] - [ 0.0068508600000000, -0.0018560800000000, -0.0014393800000000 ] - [ 0.0050558600000000, 0.0040053700000000, 0.0026401200000000 ] - [ -0.0010889600000000, 0.0015838100000000, -0.0008420400000000 ] - [ -0.0029617500000000, 0.0013679600000000, 0.0008898100000000 ] - [ 0.0068508600000000, -0.0018560800000000, 0.0014393800000000 ] - [ 0.0050558600000000, 0.0040053700000000, -0.0026401200000000 ] - [ -0.0010889600000000, 0.0015838100000000, 0.0008420400000000 ] - [ -0.0005800500000000, 0.0008178300000000, -0.0003914300000000 ] - [ 0.0009975200000000, -0.0004591000000000, -0.0003422900000000 ] - [ 0.0029299100000000, -0.0005732300000000, 0.0004857500000000 ] - [ -0.0030537400000000, -0.0000625200000000, 0.0016881600000000 ] - [ -0.0005800500000000, 0.0008178300000000, 0.0003914300000000 ] - [ 0.0009975200000000, -0.0004591000000000, 0.0003422900000000 ] - [ 0.0029299100000000, -0.0005732300000000, -0.0004857500000000 ] - [ -0.0030537400000000, -0.0000625200000000, -0.0016881600000000 ] - [ -0.2933700200000000, 0.3504602800000000, 0.0000000000000000 ] - [ 0.0066139100000000, 0.0006615500000000, 0.0000000000000000 ] - [ 0.0025901600000000, -0.0071996500000000, 0.0000000000000000 ] - [ -0.0035420600000000, -0.0016413600000000, 0.0000000000000000 ] - [ -0.0032896400000000, 0.0034761700000000, 0.0000000000000000 ] - [ 0.0018540100000000, 0.0015092400000000, 0.0000000000000000 ] - [ 0.0018509500000000, -0.0041266500000000, 0.0000000000000000 ] - [ -0.0030157300000000, 0.0021977200000000, 0.0000000000000000 ] - [ 0.0029555300000000, 0.0000375400000000, 0.0000000000000000 ] - [ -0.0031699400000000, 0.0025184500000000, 0.0000000000000000 ] - [ -0.0022336700000000, 0.0002097800000000, 0.0000000000000000 ] - [ 0.0023935000000000, -0.0024551400000000, 0.0000000000000000 ] - [ 0.0086083600000000, -0.0018280400000000, 0.0000000000000000 ] - [ -0.0250609200000000, 0.0277223900000000, 0.0000000000000000 ] - [ -0.0061125200000000, -0.0097548100000000, 0.0000000000000000 ] - [ 0.0033681700000000, -0.0052327900000000, 0.0000000000000000 ] - [ 0.0049633500000000, -0.0127841800000000, 0.0000000000000000 ] - [ -0.0016116400000000, -0.0029586700000000, 0.0000000000000000 ] - [ 0.1087201000000000, -0.0341623800000000, 0.0000000000000000 ] - [ 0.0046721800000000, 0.0043407300000000, 0.0000000000000000 ] - [ 0.0008207000000000, -0.0026874100000000, 0.0000000000000000 ] - [ -0.0013436800000000, 0.0003500900000000, 0.0000000000000000 ] - [ -0.0027671200000000, 0.0024706800000000, 0.0000000000000000 ] - [ 0.0033587100000000, 0.0030472700000000, 0.0000000000000000 ] - [ 0.0014511300000000, -0.0023908200000000, -0.0002502000000000 ] - [ -0.0034350100000000, -0.0021179300000000, -0.0016552700000000 ] - [ -0.0042546800000000, 0.0120505900000000, 0.0012060900000000 ] - [ 0.0087995600000000, 0.0007654400000000, 0.0039352700000000 ] - [ 0.0014511300000000, -0.0023908200000000, 0.0002502000000000 ] - [ -0.0034350100000000, -0.0021179300000000, 0.0016552700000000 ] - [ -0.0042546800000000, 0.0120505900000000, -0.0012060900000000 ] - [ 0.0087995600000000, 0.0007654400000000, -0.0039352700000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0052798600000000, 0.0081241500000000, 0.0077799800000000 ] - [ -0.0000236400000000, 0.0000321900000000, -0.0001284900000000 ] - [ 0.0008234900000000, -0.0006774400000000, -0.0001408600000000 ] - [ -0.0008640500000000, -0.0002747600000000, -0.0001708400000000 ] - [ 0.0051981500000000, -0.0080736700000000, 0.0077320500000000 ] - [ 0.0000260200000000, -0.0000320300000000, -0.0001256800000000 ] - [ -0.0008257600000000, 0.0006764500000000, -0.0001355700000000 ] - [ 0.0008682700000000, 0.0002804000000000, -0.0001705900000000 ] - [ 0.0000274100000000, 0.0000905900000000, -0.0017226100000000 ] - [ 0.0000109600000000, 0.0000987600000000, -0.0014755700000000 ] - [ 0.0000328400000000, 0.0000849800000000, -0.0018000100000000 ] - [ 0.0000324000000000, 0.0000869400000000, -0.0002784600000000 ] - [ -0.0000318300000000, 0.0000901000000000, 0.0009016900000000 ] - [ -0.0006312000000000, -0.0003799600000000, 0.0338110900000000 ] - [ -0.0000409700000000, 0.0000816000000000, 0.0013202600000000 ] - [ -0.0000314000000000, 0.0000865400000000, 0.0001494900000000 ] - [ -0.0000533200000000, -0.0000759000000000, 0.0011987100000000 ] - [ -0.0000654200000000, -0.0000713200000000, 0.0002701000000000 ] - [ -0.0005397000000000, 0.0004655000000000, 0.0362148700000000 ] - [ -0.0000682200000000, -0.0000689700000000, 0.0008431700000000 ] - [ -0.0000909500000000, -0.0000200500000000, -0.0004536000000000 ] - [ -0.0000927600000000, -0.0000291100000000, -0.0019060400000000 ] - [ -0.0000973700000000, 0.0000020100000000, -0.0037854900000000 ] - [ -0.0000954100000000, -0.0000131800000000, -0.0001678100000000 ] - [ 0.1524268200000000, -0.0215160100000000, 0.3222625500000000 ] - [ 0.0001161400000000, 0.0000215700000000, 0.0001315700000000 ] - [ 0.0002789200000000, -0.0000060200000000, 0.0004466900000000 ] - [ 0.0002991500000000, 0.0002279900000000, 0.0011328800000000 ] - [ -0.1646466200000000, 0.0222166300000000, 0.3393303000000000 ] - [ -0.0001092300000000, 0.0000447600000000, 0.0001758000000000 ] - [ -0.0002666700000000, 0.0000666600000000, 0.0004847400000000 ] - [ -0.0002998000000000, -0.0001740100000000, 0.0011792600000000 ] - [ 0.0000575600000000, -0.0000735800000000, -0.0002706600000000 ] - [ 0.0000622800000000, -0.0000743700000000, -0.0006675000000000 ] - [ 0.0000594800000000, -0.0000664300000000, -0.0020858600000000 ] - [ 0.0000597300000000, -0.0000624000000000, -0.0018156700000000 ] - [ -0.0029304600000000, 0.0017355600000000, -0.0074823600000000 ] - [ 0.0000944100000000, -0.0000804600000000, -0.0005227200000000 ] - [ -0.0002422900000000, 0.0000602700000000, -0.0008351000000000 ] - [ -0.0004777100000000, 0.0001587800000000, -0.0007939800000000 ] - [ 0.0029417800000000, -0.0016497400000000, -0.0075354100000000 ] - [ -0.0001066000000000, 0.0001571700000000, -0.0005654900000000 ] - [ 0.0002437300000000, 0.0000082000000000, -0.0008821400000000 ] - [ 0.0004750500000000, -0.0000949200000000, -0.0008416500000000 ] - [ -0.0020690700000000, -0.0016784100000000, -0.0066381600000000 ] - [ -0.0000472500000000, 0.0002076700000000, -0.0004458700000000 ] - [ -0.0003111300000000, 0.0000743500000000, -0.0002774300000000 ] - [ 0.0045337000000000, 0.0074242100000000, -0.0094289200000000 ] - [ 0.0019962600000000, 0.0016157000000000, -0.0065669800000000 ] - [ -0.0000060300000000, -0.0002456000000000, -0.0004065600000000 ] - [ 0.0002588200000000, -0.0001154800000000, -0.0002398400000000 ] - [ -0.0046009100000000, -0.0074699300000000, -0.0093813400000000 ] - [ 0.0000908300000000, -0.0000248400000000, 0.0010057300000000 ] - [ 0.0000924100000000, -0.0000309900000000, 0.0016251900000000 ] - [ 0.0000912300000000, -0.0000093000000000, 0.0056660300000000 ] - [ 0.0001312900000000, -0.0000138100000000, 0.0006664000000000 ] - [ -0.0006877300000000, -0.0045516900000000, 0.0035630800000000 ] - [ 0.0001925100000000, -0.0000719300000000, 0.0004015900000000 ] - [ 0.0032946100000000, -0.0011483500000000, 0.0029631300000000 ] - [ 0.0030233200000000, -0.0003775900000000, 0.0047240200000000 ] - [ 0.0006255900000000, 0.0044844200000000, 0.0034968600000000 ] - [ -0.0002542900000000, 0.0000361100000000, 0.0003530300000000 ] - [ -0.0033213900000000, 0.0011039300000000, 0.0028662900000000 ] - [ -0.0030845300000000, 0.0003348400000000, 0.0046645200000000 ] - [ -0.0040533300000000, 0.0017221900000000, 0.0026548800000000 ] - [ -0.0034813900000000, -0.0007992200000000, 0.0029515600000000 ] - [ 0.0013202300000000, -0.0024221200000000, 0.0048286900000000 ] - [ -0.0001567400000000, -0.0001941200000000, 0.0002911500000000 ] - [ 0.0041128700000000, -0.0017468600000000, 0.0027098500000000 ] - [ 0.0035579700000000, 0.0007759400000000, 0.0030445400000000 ] - [ -0.0012708100000000, 0.0023728200000000, 0.0048809300000000 ] - [ 0.0002098400000000, 0.0001507500000000, 0.0003298100000000 ] - [ -0.0003402700000000, 0.0008534100000000, -0.0013571300000000 ] - [ 0.0005342000000000, 0.0001346500000000, -0.0007363100000000 ] - [ 0.0043636400000000, -0.0001300300000000, -0.0071779300000000 ] - [ -0.0003012800000000, 0.0002290700000000, -0.0003391500000000 ] - [ 0.0004089500000000, -0.0008858300000000, -0.0013987300000000 ] - [ -0.0004816100000000, -0.0001685700000000, -0.0007826800000000 ] - [ -0.0042833100000000, 0.0001180400000000, -0.0072167500000000 ] - [ 0.0003603500000000, -0.0002580300000000, -0.0003792400000000 ] - [ 0.0132820400000000, -0.0006856600000000, -0.7801822800000000 ] - [ -0.0000268400000000, -0.0000567200000000, 0.0000128600000000 ] - [ -0.0000350700000000, -0.0000458900000000, -0.0008648500000000 ] - [ -0.0000155000000000, -0.0000476500000000, -0.0021574400000000 ] - [ 0.0000492700000000, 0.0000293100000000, 0.0127438200000000 ] - [ 0.0000326900000000, 0.0000488000000000, 0.0006376100000000 ] - [ 0.0000298000000000, 0.0000545400000000, 0.0006378400000000 ] - [ 0.0000323000000000, 0.0000623400000000, 0.0147757500000000 ] - [ 0.0000229600000000, -0.0000612600000000, 0.0135694600000000 ] - [ 0.0000452100000000, -0.0000628800000000, 0.0013338400000000 ] - [ 0.0000216200000000, -0.0000471100000000, 0.0017310900000000 ] - [ 0.0000271900000000, -0.0000454600000000, 0.0017316200000000 ] - [ -0.0000228500000000, 0.0000325200000000, -0.0104518900000000 ] - [ -0.0000213700000000, 0.0000180400000000, 0.0004712000000000 ] - [ -0.0000271400000000, 0.0000673600000000, -0.0086012300000000 ] - [ -0.0000336800000000, 0.0000605100000000, -0.0004767600000000 ] - [ 0.0000483600000000, 0.0000131300000000, -0.0104525100000000 ] - [ 0.0000623000000000, 0.0000088400000000, -0.0004762900000000 ] - [ 0.0000726400000000, 0.0000159200000000, 0.0004708400000000 ] - [ 0.0000746300000000, 0.0000033100000000, -0.0086017200000000 ] - [ -0.0000649200000000, 0.0000070900000000, 0.0028484400000000 ] - [ -0.0000546400000000, 0.0000129100000000, 0.0009099300000000 ] - [ -0.0000531700000000, -0.0000263200000000, 0.0150823900000000 ] - [ -0.0000544500000000, 0.0000005800000000, 0.0009104600000000 ] - [ -0.0009767600000000, 0.0008605200000000, 0.0003702800000000 ] - [ 0.0026482800000000, 0.0023352400000000, 0.0001981800000000 ] - [ -0.0147293900000000, -0.0287340800000000, 0.0170507200000000 ] - [ -0.0000232200000000, -0.0001921200000000, -0.0001962000000000 ] - [ 0.0009702400000000, -0.0008606700000000, 0.0003730500000000 ] - [ -0.0026135200000000, -0.0023035400000000, 0.0002104600000000 ] - [ 0.0146400200000000, 0.0286688500000000, 0.0170593500000000 ] - [ 0.0000220600000000, 0.0001907200000000, -0.0001873700000000 ]- atom: 105 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0057567800000000, -0.0050892100000000, -0.0008424100000000 ] - [ 0.0057184400000000, 0.0050406000000000, -0.0008305600000000 ] - [ -0.0030346100000000, -0.0000218000000000, 0.0016731600000000 ] - [ 0.0007982800000000, 0.0000025800000000, -0.0000000600000000 ] - [ 0.0009169900000000, -0.0013564000000000, 0.0001882500000000 ] - [ 0.0009176200000000, 0.0013505200000000, 0.0001836000000000 ] - [ -0.0014271400000000, -0.0000041500000000, -0.0003714300000000 ] - [ 0.0007445900000000, 0.0000019800000000, 0.0000000400000000 ] - [ 0.0084600000000000, -0.0013695100000000, 0.0008188600000000 ] - [ -0.0020523400000000, 0.0006246700000000, -0.0000608000000000 ] - [ -0.0030843800000000, 0.0024926200000000, 0.0009846500000000 ] - [ -0.0015180900000000, -0.0017016600000000, -0.0000647200000000 ] - [ 0.0083896500000000, 0.0015483400000000, 0.0008216400000000 ] - [ -0.0021082900000000, -0.0004385900000000, -0.0000587300000000 ] - [ -0.0015912500000000, 0.0018701600000000, -0.0000640800000000 ] - [ -0.0030670500000000, -0.0022915600000000, 0.0009607200000000 ] - [ -0.0038907700000000, -0.0008632000000000, 0.0028245300000000 ] - [ -0.0089682500000000, 0.0064210400000000, -0.0033005100000000 ] - [ -0.0006033400000000, 0.0004308200000000, 0.0001539900000000 ] - [ 0.0017589900000000, -0.0005901400000000, -0.0002083000000000 ] - [ 0.0002723800000000, -0.0110348800000000, -0.0036525400000000 ] - [ -0.0019605100000000, 0.0022646800000000, 0.0002714300000000 ] - [ -0.0005107300000000, 0.0013438800000000, -0.0000944100000000 ] - [ 0.0016132300000000, -0.0071329800000000, 0.0023351100000000 ] - [ -0.0004404900000000, 0.0007986400000000, 0.0003840600000000 ] - [ 0.0006183300000000, -0.0008877000000000, -0.0003719800000000 ] - [ 0.0021757500000000, 0.0006274000000000, 0.0051515300000000 ] - [ -0.0024989600000000, 0.0008053300000000, -0.0016236900000000 ] - [ -0.0009889800000000, 0.0014531100000000, 0.0003582600000000 ] - [ 0.0004400000000000, -0.0027845400000000, -0.0011352200000000 ] - [ 0.0030372300000000, -0.0019661300000000, 0.0047464500000000 ] - [ -0.0022593700000000, 0.0004577400000000, 0.0012335000000000 ] - [ -0.0038127700000000, 0.0006647400000000, 0.0028155500000000 ] - [ -0.0088599300000000, -0.0065796500000000, -0.0033146000000000 ] - [ 0.0018902800000000, 0.0004477900000000, -0.0002096600000000 ] - [ -0.0004719400000000, -0.0005694300000000, 0.0001544200000000 ] - [ 0.0006187100000000, 0.0009589900000000, -0.0003268100000000 ] - [ -0.0004457800000000, -0.0007267700000000, 0.0004296100000000 ] - [ 0.0021685900000000, -0.0005761500000000, 0.0052499500000000 ] - [ -0.0025045900000000, -0.0007426600000000, -0.0015805200000000 ] - [ 0.0004418600000000, 0.0028664700000000, -0.0011872000000000 ] - [ -0.0009947400000000, -0.0013783900000000, 0.0003105300000000 ] - [ 0.0029128000000000, 0.0021527900000000, 0.0048487800000000 ] - [ -0.0022653900000000, -0.0003972700000000, 0.0011855700000000 ] - [ -0.0025402100000000, 0.0006107500000000, -0.0004156400000000 ] - [ 0.0082559300000000, -0.0030382300000000, 0.0073826200000000 ] - [ 0.0002167500000000, -0.0027620800000000, 0.0007427900000000 ] - [ -0.0006749700000000, 0.0011243800000000, -0.0007381100000000 ] - [ -0.0013248300000000, 0.0003430400000000, -0.0004359800000000 ] - [ 0.0022987700000000, 0.0000932400000000, 0.0062106000000000 ] - [ 0.0002569900000000, -0.0026575600000000, -0.0016029200000000 ] - [ -0.0008028600000000, 0.0010288900000000, 0.0008876900000000 ] - [ 0.0004490300000000, 0.0109238400000000, -0.0036278700000000 ] - [ -0.0017629000000000, -0.0023206900000000, 0.0002754300000000 ] - [ 0.0018011900000000, 0.0070869800000000, 0.0023344800000000 ] - [ -0.0003190100000000, -0.0013596100000000, -0.0000943800000000 ] - [ -0.0045199300000000, -0.0002390800000000, 0.0004375100000000 ] - [ 0.0010684600000000, 0.0050314600000000, -0.0122290200000000 ] - [ -0.0000122200000000, -0.0009274200000000, 0.0000771800000000 ] - [ -0.0001232800000000, 0.0010263800000000, -0.0004725400000000 ] - [ -0.0026596100000000, 0.0005455400000000, 0.0019503900000000 ] - [ 0.0028371500000000, 0.0003599000000000, -0.0113836700000000 ] - [ 0.0000716800000000, -0.0005492100000000, 0.0000269900000000 ] - [ -0.0000893500000000, 0.0013468300000000, 0.0007163600000000 ] - [ 0.0023556600000000, -0.0001291400000000, 0.0061646300000000 ] - [ -0.0012687300000000, -0.0003752400000000, -0.0004781100000000 ] - [ 0.0003053100000000, 0.0026125300000000, -0.0016431100000000 ] - [ -0.0007367300000000, -0.0010644100000000, 0.0008383600000000 ] - [ 0.0084673600000000, 0.0028446400000000, 0.0073409300000000 ] - [ -0.0024784600000000, -0.0006406900000000, -0.0003643900000000 ] - [ 0.0002557600000000, 0.0027227000000000, 0.0007779100000000 ] - [ -0.0006138800000000, -0.0011622000000000, -0.0006897800000000 ] - [ 0.0028969700000000, -0.0003997200000000, -0.0113931800000000 ] - [ -0.0026042400000000, -0.0005815500000000, 0.0019940300000000 ] - [ 0.0001313200000000, 0.0005249600000000, 0.0000741500000000 ] - [ -0.0000290000000000, -0.0013810000000000, 0.0007631500000000 ] - [ 0.0016116500000000, -0.0051822300000000, -0.0120864500000000 ] - [ -0.0044467100000000, 0.0001984900000000, 0.0003641700000000 ] - [ 0.0000463100000000, 0.0009100700000000, 0.0000340700000000 ] - [ -0.0000626900000000, -0.0010602200000000, -0.0005188100000000 ] - [ 0.0021921100000000, -0.0004599600000000, -0.0009750100000000 ] - [ -0.0041473000000000, 0.0015582800000000, 0.0026258300000000 ] - [ 0.0034262500000000, 0.0069680900000000, -0.0146171500000000 ] - [ 0.0071501200000000, -0.0060453000000000, -0.0000264800000000 ] - [ 0.0028342400000000, -0.0024727000000000, 0.0012368800000000 ] - [ -0.0124993800000000, 0.0117074900000000, -0.0175273300000000 ] - [ 0.0001153100000000, 0.0097360200000000, 0.0006882600000000 ] - [ 0.0037921900000000, -0.0029341700000000, -0.0001509000000000 ] - [ -0.0041078300000000, -0.0016678700000000, 0.0026348100000000 ] - [ 0.0022553800000000, 0.0003429700000000, -0.0009723300000000 ] - [ 0.0036443100000000, -0.0069892600000000, -0.0147535400000000 ] - [ 0.0072227400000000, 0.0059727500000000, -0.0000185800000000 ] - [ -0.0125569700000000, -0.0115758800000000, -0.0175025200000000 ] - [ 0.0027703200000000, 0.0025554900000000, 0.0012273800000000 ] - [ 0.0000734500000000, -0.0095867500000000, 0.0006986800000000 ] - [ 0.0036841100000000, 0.0030513200000000, -0.0001586200000000 ] - [ 0.0078027100000000, -0.0003516200000000, -0.0033443600000000 ] - [ 0.0116458100000000, -0.0161969900000000, 0.0321012800000000 ] - [ 0.0000495300000000, 0.0015461900000000, -0.0002551600000000 ] - [ -0.0022734500000000, -0.0044922900000000, 0.0001767600000000 ] - [ 0.0116130900000000, 0.0162904100000000, 0.0323007700000000 ] - [ 0.0076919700000000, 0.0003839900000000, -0.0033044600000000 ] - [ -0.0000732300000000, -0.0015681700000000, -0.0002623500000000 ] - [ -0.0023930800000000, 0.0044959000000000, 0.0001771000000000 ] - [ -0.0403473100000000, 0.0001067000000000, -0.0000042200000000 ] - [ 0.0075607300000000, 0.0000020200000000, -0.0000534600000000 ] - [ 0.0010700900000000, -0.0037551400000000, 0.0000277000000000 ] - [ 0.0010637100000000, 0.0037431900000000, 0.0000257100000000 ] - [ -0.0124131500000000, 0.0000147700000000, 0.0000000900000000 ] - [ 0.0051826700000000, 0.0000004300000000, 0.0002899500000000 ] - [ 0.0007123300000000, -0.0025848500000000, -0.0001465300000000 ] - [ 0.0007110800000000, 0.0025784600000000, -0.0001436300000000 ]- atom: 105 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0006705400000000, -0.0011490300000000, -0.0035945200000000 ] - [ -0.0006598200000000, 0.0011552200000000, -0.0035945200000000 ] - [ 0.0013303600000000, -0.0000061800000000, -0.0035945200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007726500000000 ] - [ -0.0001475000000000, -0.0002597200000000, 0.0015142100000000 ] - [ -0.0001511700000000, 0.0002576000000000, 0.0015142100000000 ] - [ 0.0002986800000000, 0.0000021200000000, 0.0015142100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008275100000000 ] - [ -0.0039656700000000, 0.0044096500000000, -0.0019399800000000 ] - [ -0.0000927200000000, 0.0001392400000000, -0.0000906100000000 ] - [ 0.0047216100000000, -0.0026547300000000, -0.0015601000000000 ] - [ -0.0013314900000000, -0.0009309400000000, 0.0000295800000000 ] - [ -0.0040325300000000, -0.0042099000000000, -0.0019448400000000 ] - [ -0.0001604200000000, 0.0000438200000000, -0.0000912400000000 ] - [ -0.0013935200000000, 0.0011139600000000, 0.0000286400000000 ] - [ 0.0046691200000000, 0.0028395700000000, -0.0015684200000000 ] - [ 0.0056621400000000, -0.0013873200000000, -0.0019448400000000 ] - [ -0.0047937000000000, 0.0026237900000000, -0.0015684200000000 ] - [ 0.0000422500000000, -0.0001608400000000, -0.0000912400000000 ] - [ -0.0002679600000000, -0.0017638000000000, 0.0000286400000000 ] - [ -0.0018360300000000, -0.0056392000000000, -0.0019399800000000 ] - [ 0.0014719700000000, -0.0006876400000000, 0.0000295800000000 ] - [ -0.0000742200000000, -0.0001499200000000, -0.0000906100000000 ] - [ -0.0000617400000000, 0.0054164000000000, -0.0015601000000000 ] - [ 0.0000914600000000, -0.0003645600000000, -0.0005228200000000 ] - [ -0.0015236300000000, -0.0011664500000000, -0.0014372800000000 ] - [ -0.0006642400000000, -0.0004217400000000, -0.0058103600000000 ] - [ -0.0010226100000000, 0.0002019800000000, -0.0010392300000000 ] - [ 0.0004399000000000, -0.0006326000000000, 0.0003194400000000 ] - [ -0.0013248600000000, -0.0014257800000000, 0.0015379200000000 ] - [ 0.0011869600000000, -0.0018824800000000, -0.0001757400000000 ] - [ -0.0008650200000000, 0.0000400700000000, 0.0009318200000000 ] - [ 0.0058017000000000, 0.0012295500000000, -0.0019399800000000 ] - [ -0.0046598700000000, -0.0027616700000000, -0.0015601000000000 ] - [ -0.0001404700000000, 0.0016185800000000, 0.0000295800000000 ] - [ 0.0001669500000000, 0.0000106800000000, -0.0000906100000000 ] - [ -0.0015244800000000, 0.0012394700000000, -0.0013855100000000 ] - [ 0.0000916900000000, 0.0004356200000000, -0.0004730200000000 ] - [ -0.0006570800000000, 0.0004779300000000, -0.0057459700000000 ] - [ -0.0010194600000000, -0.0001301000000000, -0.0009873400000000 ] - [ -0.0013249500000000, 0.0014954300000000, 0.0014924300000000 ] - [ 0.0004380800000000, 0.0007014900000000, 0.0002718000000000 ] - [ 0.0011138600000000, 0.0021052900000000, -0.0001264000000000 ] - [ -0.0008635100000000, 0.0000317400000000, 0.0008827300000000 ] - [ -0.0008265500000000, 0.0000286400000000, 0.0002718000000000 ] - [ -0.0023801600000000, -0.0000880200000000, -0.0001264000000000 ] - [ -0.0006326000000000, -0.0018951600000000, 0.0014924300000000 ] - [ 0.0004042700000000, -0.0007636900000000, 0.0008827300000000 ] - [ -0.0004231000000000, -0.0001384000000000, -0.0004730200000000 ] - [ -0.0000853600000000, -0.0008080100000000, -0.0057459700000000 ] - [ -0.0003111700000000, -0.0019399700000000, -0.0013855100000000 ] - [ 0.0006223900000000, -0.0008178300000000, -0.0009873400000000 ] - [ -0.0016296200000000, 0.0055972200000000, -0.0019448400000000 ] - [ 0.0016614800000000, 0.0006498400000000, 0.0000286400000000 ] - [ 0.0001245800000000, -0.0054633600000000, -0.0015684200000000 ] - [ 0.0001181600000000, 0.0001170100000000, -0.0000912400000000 ] - [ 0.0018972000000000, -0.0004344700000000, 0.0015379200000000 ] - [ 0.0010368000000000, 0.0019691700000000, -0.0001757400000000 ] - [ 0.0003279000000000, 0.0006972600000000, 0.0003194400000000 ] - [ 0.0003978100000000, -0.0007691600000000, 0.0009318200000000 ] - [ 0.0017719900000000, -0.0007362700000000, -0.0014372800000000 ] - [ 0.0006973600000000, -0.0003643800000000, -0.0058103600000000 ] - [ 0.0002699900000000, 0.0002614800000000, -0.0005228200000000 ] - [ 0.0003363900000000, -0.0009865900000000, -0.0010392300000000 ] - [ -0.0000331200000000, 0.0007861200000000, -0.0058103600000000 ] - [ -0.0003614500000000, 0.0001030800000000, -0.0005228200000000 ] - [ -0.0002483600000000, 0.0019027300000000, -0.0014372800000000 ] - [ 0.0006862200000000, 0.0007846200000000, -0.0010392300000000 ] - [ -0.0022237500000000, -0.0000866900000000, -0.0001757400000000 ] - [ -0.0007678000000000, -0.0000646600000000, 0.0003194400000000 ] - [ -0.0005723300000000, 0.0018602600000000, 0.0015379200000000 ] - [ 0.0004672100000000, 0.0007290900000000, 0.0009318200000000 ] - [ 0.0007424400000000, 0.0003300800000000, -0.0057459700000000 ] - [ 0.0018356500000000, 0.0007005000000000, -0.0013855100000000 ] - [ 0.0003314100000000, -0.0002972200000000, -0.0004730200000000 ] - [ 0.0003970600000000, 0.0009479200000000, -0.0009873400000000 ] - [ 0.0012663100000000, -0.0020172700000000, -0.0001264000000000 ] - [ 0.0019575600000000, 0.0003997300000000, 0.0014924300000000 ] - [ 0.0003884700000000, -0.0007301400000000, 0.0002718000000000 ] - [ 0.0004592400000000, 0.0007319500000000, 0.0008827300000000 ] - [ -0.0003319800000000, 0.0000709400000000, 0.0003734200000000 ] - [ 0.0059543200000000, 0.0053198100000000, 0.0002089100000000 ] - [ -0.0101898400000000, -0.0072910500000000, 0.0170653700000000 ] - [ 0.0034989100000000, -0.0025550500000000, -0.0001914300000000 ] - [ 0.0002833900000000, -0.0001472600000000, 0.0003701100000000 ] - [ -0.0012371700000000, -0.0124322000000000, 0.0170457100000000 ] - [ 0.0016904600000000, 0.0079446600000000, 0.0001987700000000 ] - [ -0.0038994700000000, 0.0018601300000000, -0.0001922200000000 ] - [ 0.0060350500000000, -0.0054363100000000, 0.0001987700000000 ] - [ -0.0002692300000000, -0.0001717900000000, 0.0003701100000000 ] - [ -0.0101480200000000, 0.0072875200000000, 0.0170457100000000 ] - [ 0.0035606500000000, 0.0024469700000000, -0.0001922200000000 ] - [ -0.0012193100000000, 0.0124701900000000, 0.0170653700000000 ] - [ 0.0002274300000000, 0.0002520300000000, 0.0003734200000000 ] - [ 0.0016299300000000, -0.0078165000000000, 0.0002089100000000 ] - [ -0.0039622000000000, -0.0017526200000000, -0.0001914300000000 ] - [ -0.0075842500000000, 0.0024966900000000, 0.0002089100000000 ] - [ 0.0114091600000000, -0.0051791400000000, 0.0170653700000000 ] - [ 0.0001045500000000, -0.0003229800000000, 0.0003734200000000 ] - [ 0.0004632900000000, 0.0043076800000000, -0.0001914300000000 ] - [ 0.0113851900000000, 0.0051446800000000, 0.0170457100000000 ] - [ -0.0077255100000000, -0.0025083500000000, 0.0001987700000000 ] - [ -0.0000141600000000, 0.0003190500000000, 0.0003701100000000 ] - [ 0.0003388100000000, -0.0043071000000000, -0.0001922200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0493214600000000 ] - [ -0.0000533200000000, 0.0000000900000000, -0.0020673900000000 ] - [ 0.0000265800000000, -0.0000462200000000, -0.0020673900000000 ] - [ 0.0000267400000000, 0.0000461300000000, -0.0020673900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0095584300000000 ] - [ -0.0002899400000000, 0.0000007900000000, 0.0019096100000000 ] - [ 0.0001442900000000, -0.0002514900000000, 0.0019096100000000 ] - [ 0.0001456500000000, 0.0002507000000000, 0.0019096100000000 ]