# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/b42f73e0-80ed-4f59-8f97-51c0af5bd6a8/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 CdI2 / P3m1 (156) / materials id 680163](https://mdr.nims.go.jp/datasets/d689b74c-f4bf-4b86-9f3b-44a42ad30113) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P3m1" number: 156 Hall_symbol: "P 3 -2\""supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 4.221921590000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.110960790000000, 3.656291350000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 171.136840599999999 ] # c points: - symbol: Cd # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.969990450000000 ] mass: 112.411000 - symbol: Cd # 2 coordinates: [ 0.333333330000000, 0.666666670000000, 0.650019050000000 ] mass: 112.411000 - symbol: Cd # 3 coordinates: [ 0.333333330000000, 0.666666670000000, 0.570009910000000 ] mass: 112.411000 - symbol: Cd # 4 coordinates: [ 0.000000000000000, 0.000000000000000, 0.770031650000000 ] mass: 112.411000 - symbol: Cd # 5 coordinates: [ 0.000000000000000, 0.000000000000000, 0.369999730000000 ] mass: 112.411000 - symbol: Cd # 6 coordinates: [ 0.333333330000000, 0.666666670000000, 0.410000020000000 ] mass: 112.411000 - symbol: Cd # 7 coordinates: [ 0.333333330000000, 0.666666670000000, 0.329996700000000 ] mass: 112.411000 - symbol: Cd # 8 coordinates: [ 0.333333330000000, 0.666666670000000, 0.009983050000000 ] mass: 112.411000 - symbol: Cd # 9 coordinates: [ 0.000000000000000, 0.000000000000000, 0.530008670000000 ] mass: 112.411000 - symbol: Cd # 10 coordinates: [ 0.000000000000000, 0.000000000000000, 0.289988770000000 ] mass: 112.411000 - symbol: Cd # 11 coordinates: [ 0.333333330000000, 0.666666670000000, 0.169974580000000 ] mass: 112.411000 - symbol: Cd # 12 coordinates: [ 0.333333330000000, 0.666666670000000, 0.730031060000000 ] mass: 112.411000 - symbol: Cd # 13 coordinates: [ 0.333333330000000, 0.666666670000000, 0.810030600000000 ] mass: 112.411000 - symbol: Cd # 14 coordinates: [ 0.333333330000000, 0.666666670000000, 0.089972130000000 ] mass: 112.411000 - symbol: Cd # 15 coordinates: [ 0.000000000000000, 0.000000000000000, 0.930002660000000 ] mass: 112.411000 - symbol: Cd # 16 coordinates: [ 0.000000000000000, 0.000000000000000, 0.610013000000000 ] mass: 112.411000 - symbol: Cd # 17 coordinates: [ 0.000000000000000, 0.000000000000000, 0.690025530000000 ] mass: 112.411000 - symbol: Cd # 18 coordinates: [ 0.000000000000000, 0.000000000000000, 0.049975400000000 ] mass: 112.411000 - symbol: Cd # 19 coordinates: [ 0.000000000000000, 0.000000000000000, 0.129974060000000 ] mass: 112.411000 - symbol: Cd # 20 coordinates: [ 0.333333330000000, 0.666666670000000, 0.890017960000000 ] mass: 112.411000 - symbol: Cd # 21 coordinates: [ 0.333333330000000, 0.666666670000000, 0.490007550000000 ] mass: 112.411000 - symbol: Cd # 22 coordinates: [ 0.333333330000000, 0.666666670000000, 0.249980860000000 ] mass: 112.411000 - symbol: Cd # 23 coordinates: [ 0.000000000000000, 0.000000000000000, 0.450003060000000 ] mass: 112.411000 - symbol: Cd # 24 coordinates: [ 0.000000000000000, 0.000000000000000, 0.850024870000000 ] mass: 112.411000 - symbol: Cd # 25 coordinates: [ 0.000000000000000, 0.000000000000000, 0.209977220000000 ] mass: 112.411000 - symbol: I # 26 coordinates: [ 0.666666670000000, 0.333333330000000, 0.120009870000000 ] mass: 126.904470 - symbol: I # 27 coordinates: [ 0.666666670000000, 0.333333330000000, 0.520043950000000 ] mass: 126.904470 - symbol: I # 28 coordinates: [ 0.666666670000000, 0.333333330000000, 0.360035080000000 ] mass: 126.904470 - symbol: I # 29 coordinates: [ 0.666666670000000, 0.333333330000000, 0.240016210000000 ] mass: 126.904470 - symbol: I # 30 coordinates: [ 0.666666670000000, 0.333333330000000, 0.200012800000000 ] mass: 126.904470 - symbol: I # 31 coordinates: [ 0.666666670000000, 0.333333330000000, 0.560045050000000 ] mass: 126.904470 - symbol: I # 32 coordinates: [ 0.666666670000000, 0.333333330000000, 0.480042730000000 ] mass: 126.904470 - symbol: I # 33 coordinates: [ 0.666666670000000, 0.333333330000000, 0.880053420000000 ] mass: 126.904470 - symbol: I # 34 coordinates: [ 0.000000000000000, 0.000000000000000, 0.899977360000000 ] mass: 126.904470 - symbol: I # 35 coordinates: [ 0.666666670000000, 0.333333330000000, 0.840059910000000 ] mass: 126.904470 - symbol: I # 36 coordinates: [ 0.666666670000000, 0.333333330000000, 0.640054020000000 ] mass: 126.904470 - symbol: I # 37 coordinates: [ 0.666666670000000, 0.333333330000000, 0.720065960000000 ] mass: 126.904470 - symbol: I # 38 coordinates: [ 0.333333330000000, 0.666666670000000, 0.979950070000000 ] mass: 126.904470 - symbol: I # 39 coordinates: [ 0.666666670000000, 0.333333330000000, 0.680060470000000 ] mass: 126.904470 - symbol: I # 40 coordinates: [ 0.000000000000000, 0.000000000000000, 0.579969990000000 ] mass: 126.904470 - symbol: I # 41 coordinates: [ 0.000000000000000, 0.000000000000000, 0.019942120000000 ] mass: 126.904470 - symbol: I # 42 coordinates: [ 0.000000000000000, 0.000000000000000, 0.659979390000000 ] mass: 126.904470 - symbol: I # 43 coordinates: [ 0.333333330000000, 0.666666670000000, 0.139934030000000 ] mass: 126.904470 - symbol: I # 44 coordinates: [ 0.000000000000000, 0.000000000000000, 0.739991290000000 ] mass: 126.904470 - symbol: I # 45 coordinates: [ 0.666666670000000, 0.333333330000000, 0.600048200000000 ] mass: 126.904470 - symbol: I # 46 coordinates: [ 0.000000000000000, 0.000000000000000, 0.819990320000000 ] mass: 126.904470 - symbol: I # 47 coordinates: [ 0.666666670000000, 0.333333330000000, 0.920039010000000 ] mass: 126.904470 - symbol: I # 48 coordinates: [ 0.333333330000000, 0.666666670000000, 0.699986040000000 ] mass: 126.904470 - symbol: I # 49 coordinates: [ 0.666666670000000, 0.333333330000000, 0.400035480000000 ] mass: 126.904470 - symbol: I # 50 coordinates: [ 0.333333330000000, 0.666666670000000, 0.299949110000000 ] mass: 126.904470 - symbol: I # 51 coordinates: [ 0.333333330000000, 0.666666670000000, 0.219937330000000 ] mass: 126.904470 - symbol: I # 52 coordinates: [ 0.666666670000000, 0.333333330000000, 0.800065500000000 ] mass: 126.904470 - symbol: I # 53 coordinates: [ 0.666666670000000, 0.333333330000000, 0.320031950000000 ] mass: 126.904470 - symbol: I # 54 coordinates: [ 0.333333330000000, 0.666666670000000, 0.059934740000000 ] mass: 126.904470 - symbol: I # 55 coordinates: [ 0.333333330000000, 0.666666670000000, 0.619973380000000 ] mass: 126.904470 - symbol: I # 56 coordinates: [ 0.000000000000000, 0.000000000000000, 0.179934500000000 ] mass: 126.904470 - symbol: I # 57 coordinates: [ 0.666666670000000, 0.333333330000000, 0.280023970000000 ] mass: 126.904470 - symbol: I # 58 coordinates: [ 0.333333330000000, 0.666666670000000, 0.859984470000000 ] mass: 126.904470 - symbol: I # 59 coordinates: [ 0.000000000000000, 0.000000000000000, 0.099932020000000 ] mass: 126.904470 - symbol: I # 60 coordinates: [ 0.666666670000000, 0.333333330000000, 0.080008130000000 ] mass: 126.904470 - symbol: I # 61 coordinates: [ 0.333333330000000, 0.666666670000000, 0.939960800000000 ] mass: 126.904470 - symbol: I # 62 coordinates: [ 0.666666670000000, 0.333333330000000, 0.000019030000000 ] mass: 126.904470 - symbol: I # 63 coordinates: [ 0.000000000000000, 0.000000000000000, 0.419960310000000 ] mass: 126.904470 - symbol: I # 64 coordinates: [ 0.666666670000000, 0.333333330000000, 0.960027210000000 ] mass: 126.904470 - symbol: I # 65 coordinates: [ 0.666666670000000, 0.333333330000000, 0.160010290000000 ] mass: 126.904470 - symbol: I # 66 coordinates: [ 0.333333330000000, 0.666666670000000, 0.779991640000000 ] mass: 126.904470 - symbol: I # 67 coordinates: [ 0.333333330000000, 0.666666670000000, 0.459963470000000 ] mass: 126.904470 - symbol: I # 68 coordinates: [ 0.000000000000000, 0.000000000000000, 0.259940990000000 ] mass: 126.904470 - symbol: I # 69 coordinates: [ 0.666666670000000, 0.333333330000000, 0.040011190000000 ] mass: 126.904470 - symbol: I # 70 coordinates: [ 0.333333330000000, 0.666666670000000, 0.379959990000000 ] mass: 126.904470 - symbol: I # 71 coordinates: [ 0.666666670000000, 0.333333330000000, 0.760066500000000 ] mass: 126.904470 - symbol: I # 72 coordinates: [ 0.000000000000000, 0.000000000000000, 0.499967880000000 ] mass: 126.904470 - symbol: I # 73 coordinates: [ 0.333333330000000, 0.666666670000000, 0.539968990000000 ] mass: 126.904470 - symbol: I # 74 coordinates: [ 0.000000000000000, 0.000000000000000, 0.339957050000000 ] mass: 126.904470 - symbol: I # 75 coordinates: [ 0.666666670000000, 0.333333330000000, 0.440038300000000 ] mass: 126.904470 reciprocal_lattice: # without 2pi - [ 0.236858970182817, 0.136750589860872, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.273501180369557, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.005843277207257 ] # c*unit_cell: lattice: - [ 4.221921590000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.110960790000000, 3.656291350000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 171.136840599999999 ] # c points: - symbol: Cd # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.969990450000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 2 coordinates: [ 0.333333330000000, 0.666666670000000, 0.650019050000000 ] mass: 112.411000 reduced_to: 2 - symbol: Cd # 3 coordinates: [ 0.333333330000000, 0.666666670000000, 0.570009910000000 ] mass: 112.411000 reduced_to: 3 - symbol: Cd # 4 coordinates: [ 0.000000000000000, 0.000000000000000, 0.770031650000000 ] mass: 112.411000 reduced_to: 4 - symbol: Cd # 5 coordinates: [ 0.000000000000000, 0.000000000000000, 0.369999730000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 6 coordinates: [ 0.333333330000000, 0.666666670000000, 0.410000020000000 ] mass: 112.411000 reduced_to: 6 - symbol: Cd # 7 coordinates: [ 0.333333330000000, 0.666666670000000, 0.329996700000000 ] mass: 112.411000 reduced_to: 7 - symbol: Cd # 8 coordinates: [ 0.333333330000000, 0.666666670000000, 0.009983050000000 ] mass: 112.411000 reduced_to: 8 - symbol: Cd # 9 coordinates: [ 0.000000000000000, 0.000000000000000, 0.530008670000000 ] mass: 112.411000 reduced_to: 9 - symbol: Cd # 10 coordinates: [ 0.000000000000000, 0.000000000000000, 0.289988770000000 ] mass: 112.411000 reduced_to: 10 - symbol: Cd # 11 coordinates: [ 0.333333330000000, 0.666666670000000, 0.169974580000000 ] mass: 112.411000 reduced_to: 11 - symbol: Cd # 12 coordinates: [ 0.333333330000000, 0.666666670000000, 0.730031060000000 ] mass: 112.411000 reduced_to: 12 - symbol: Cd # 13 coordinates: [ 0.333333330000000, 0.666666670000000, 0.810030600000000 ] mass: 112.411000 reduced_to: 13 - symbol: Cd # 14 coordinates: [ 0.333333330000000, 0.666666670000000, 0.089972130000000 ] mass: 112.411000 reduced_to: 14 - symbol: Cd # 15 coordinates: [ 0.000000000000000, 0.000000000000000, 0.930002660000000 ] mass: 112.411000 reduced_to: 15 - symbol: Cd # 16 coordinates: [ 0.000000000000000, 0.000000000000000, 0.610013000000000 ] mass: 112.411000 reduced_to: 16 - symbol: Cd # 17 coordinates: [ 0.000000000000000, 0.000000000000000, 0.690025530000000 ] mass: 112.411000 reduced_to: 17 - symbol: Cd # 18 coordinates: [ 0.000000000000000, 0.000000000000000, 0.049975400000000 ] mass: 112.411000 reduced_to: 18 - symbol: Cd # 19 coordinates: [ 0.000000000000000, 0.000000000000000, 0.129974060000000 ] mass: 112.411000 reduced_to: 19 - symbol: Cd # 20 coordinates: [ 0.333333330000000, 0.666666670000000, 0.890017960000000 ] mass: 112.411000 reduced_to: 20 - symbol: Cd # 21 coordinates: [ 0.333333330000000, 0.666666670000000, 0.490007550000000 ] mass: 112.411000 reduced_to: 21 - symbol: Cd # 22 coordinates: [ 0.333333330000000, 0.666666670000000, 0.249980860000000 ] mass: 112.411000 reduced_to: 22 - symbol: Cd # 23 coordinates: [ 0.000000000000000, 0.000000000000000, 0.450003060000000 ] mass: 112.411000 reduced_to: 23 - symbol: Cd # 24 coordinates: [ 0.000000000000000, 0.000000000000000, 0.850024870000000 ] mass: 112.411000 reduced_to: 24 - symbol: Cd # 25 coordinates: [ 0.000000000000000, 0.000000000000000, 0.209977220000000 ] mass: 112.411000 reduced_to: 25 - symbol: I # 26 coordinates: [ 0.666666670000000, 0.333333330000000, 0.120009870000000 ] mass: 126.904470 reduced_to: 26 - symbol: I # 27 coordinates: [ 0.666666670000000, 0.333333330000000, 0.520043950000000 ] mass: 126.904470 reduced_to: 27 - symbol: I # 28 coordinates: [ 0.666666670000000, 0.333333330000000, 0.360035080000000 ] mass: 126.904470 reduced_to: 28 - symbol: I # 29 coordinates: [ 0.666666670000000, 0.333333330000000, 0.240016210000000 ] mass: 126.904470 reduced_to: 29 - symbol: I # 30 coordinates: [ 0.666666670000000, 0.333333330000000, 0.200012800000000 ] mass: 126.904470 reduced_to: 30 - symbol: I # 31 coordinates: [ 0.666666670000000, 0.333333330000000, 0.560045050000000 ] mass: 126.904470 reduced_to: 31 - symbol: I # 32 coordinates: [ 0.666666670000000, 0.333333330000000, 0.480042730000000 ] mass: 126.904470 reduced_to: 32 - symbol: I # 33 coordinates: [ 0.666666670000000, 0.333333330000000, 0.880053420000000 ] mass: 126.904470 reduced_to: 33 - symbol: I # 34 coordinates: [ 0.000000000000000, 0.000000000000000, 0.899977360000000 ] mass: 126.904470 reduced_to: 34 - symbol: I # 35 coordinates: [ 0.666666670000000, 0.333333330000000, 0.840059910000000 ] mass: 126.904470 reduced_to: 35 - symbol: I # 36 coordinates: [ 0.666666670000000, 0.333333330000000, 0.640054020000000 ] mass: 126.904470 reduced_to: 36 - symbol: I # 37 coordinates: [ 0.666666670000000, 0.333333330000000, 0.720065960000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 38 coordinates: [ 0.333333330000000, 0.666666670000000, 0.979950070000000 ] mass: 126.904470 reduced_to: 38 - symbol: I # 39 coordinates: [ 0.666666670000000, 0.333333330000000, 0.680060470000000 ] mass: 126.904470 reduced_to: 39 - symbol: I # 40 coordinates: [ 0.000000000000000, 0.000000000000000, 0.579969990000000 ] mass: 126.904470 reduced_to: 40 - symbol: I # 41 coordinates: [ 0.000000000000000, 0.000000000000000, 0.019942120000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 42 coordinates: [ 0.000000000000000, 0.000000000000000, 0.659979390000000 ] mass: 126.904470 reduced_to: 42 - symbol: I # 43 coordinates: [ 0.333333330000000, 0.666666670000000, 0.139934030000000 ] mass: 126.904470 reduced_to: 43 - symbol: I # 44 coordinates: [ 0.000000000000000, 0.000000000000000, 0.739991290000000 ] mass: 126.904470 reduced_to: 44 - symbol: I # 45 coordinates: [ 0.666666670000000, 0.333333330000000, 0.600048200000000 ] mass: 126.904470 reduced_to: 45 - symbol: I # 46 coordinates: [ 0.000000000000000, 0.000000000000000, 0.819990320000000 ] mass: 126.904470 reduced_to: 46 - symbol: I # 47 coordinates: [ 0.666666670000000, 0.333333330000000, 0.920039010000000 ] mass: 126.904470 reduced_to: 47 - symbol: I # 48 coordinates: [ 0.333333330000000, 0.666666670000000, 0.699986040000000 ] mass: 126.904470 reduced_to: 48 - symbol: I # 49 coordinates: [ 0.666666670000000, 0.333333330000000, 0.400035480000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 50 coordinates: [ 0.333333330000000, 0.666666670000000, 0.299949110000000 ] mass: 126.904470 reduced_to: 50 - symbol: I # 51 coordinates: [ 0.333333330000000, 0.666666670000000, 0.219937330000000 ] mass: 126.904470 reduced_to: 51 - symbol: I # 52 coordinates: [ 0.666666670000000, 0.333333330000000, 0.800065500000000 ] mass: 126.904470 reduced_to: 52 - symbol: I # 53 coordinates: [ 0.666666670000000, 0.333333330000000, 0.320031950000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 54 coordinates: [ 0.333333330000000, 0.666666670000000, 0.059934740000000 ] mass: 126.904470 reduced_to: 54 - symbol: I # 55 coordinates: [ 0.333333330000000, 0.666666670000000, 0.619973380000000 ] mass: 126.904470 reduced_to: 55 - symbol: I # 56 coordinates: [ 0.000000000000000, 0.000000000000000, 0.179934500000000 ] mass: 126.904470 reduced_to: 56 - symbol: I # 57 coordinates: [ 0.666666670000000, 0.333333330000000, 0.280023970000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 58 coordinates: [ 0.333333330000000, 0.666666670000000, 0.859984470000000 ] mass: 126.904470 reduced_to: 58 - symbol: I # 59 coordinates: [ 0.000000000000000, 0.000000000000000, 0.099932020000000 ] mass: 126.904470 reduced_to: 59 - symbol: I # 60 coordinates: [ 0.666666670000000, 0.333333330000000, 0.080008130000000 ] mass: 126.904470 reduced_to: 60 - symbol: I # 61 coordinates: [ 0.333333330000000, 0.666666670000000, 0.939960800000000 ] mass: 126.904470 reduced_to: 61 - symbol: I # 62 coordinates: [ 0.666666670000000, 0.333333330000000, 0.000019030000000 ] mass: 126.904470 reduced_to: 62 - symbol: I # 63 coordinates: [ 0.000000000000000, 0.000000000000000, 0.419960310000000 ] mass: 126.904470 reduced_to: 63 - symbol: I # 64 coordinates: [ 0.666666670000000, 0.333333330000000, 0.960027210000000 ] mass: 126.904470 reduced_to: 64 - symbol: I # 65 coordinates: [ 0.666666670000000, 0.333333330000000, 0.160010290000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 66 coordinates: [ 0.333333330000000, 0.666666670000000, 0.779991640000000 ] mass: 126.904470 reduced_to: 66 - symbol: I # 67 coordinates: [ 0.333333330000000, 0.666666670000000, 0.459963470000000 ] mass: 126.904470 reduced_to: 67 - symbol: I # 68 coordinates: [ 0.000000000000000, 0.000000000000000, 0.259940990000000 ] mass: 126.904470 reduced_to: 68 - symbol: I # 69 coordinates: [ 0.666666670000000, 0.333333330000000, 0.040011190000000 ] mass: 126.904470 reduced_to: 69 - symbol: I # 70 coordinates: [ 0.333333330000000, 0.666666670000000, 0.379959990000000 ] mass: 126.904470 reduced_to: 70 - symbol: I # 71 coordinates: [ 0.666666670000000, 0.333333330000000, 0.760066500000000 ] mass: 126.904470 reduced_to: 71 - symbol: I # 72 coordinates: [ 0.000000000000000, 0.000000000000000, 0.499967880000000 ] mass: 126.904470 reduced_to: 72 - symbol: I # 73 coordinates: [ 0.333333330000000, 0.666666670000000, 0.539968990000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 74 coordinates: [ 0.000000000000000, 0.000000000000000, 0.339957050000000 ] mass: 126.904470 reduced_to: 74 - symbol: I # 75 coordinates: [ 0.666666670000000, 0.333333330000000, 0.440038300000000 ] mass: 126.904470 reduced_to: 75supercell: lattice: - [ 4.221921590000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.110960790000000, 3.656291350000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 171.136840599999999 ] # c points: - symbol: Cd # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.969990450000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 2 coordinates: [ 0.333333330000000, 0.666666670000000, 0.650019050000000 ] mass: 112.411000 reduced_to: 2 - symbol: Cd # 3 coordinates: [ 0.333333330000000, 0.666666670000000, 0.570009910000000 ] mass: 112.411000 reduced_to: 3 - symbol: Cd # 4 coordinates: [ 0.000000000000000, 0.000000000000000, 0.770031650000000 ] mass: 112.411000 reduced_to: 4 - symbol: Cd # 5 coordinates: [ 0.000000000000000, 0.000000000000000, 0.369999730000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 6 coordinates: [ 0.333333330000000, 0.666666670000000, 0.410000020000000 ] mass: 112.411000 reduced_to: 6 - symbol: Cd # 7 coordinates: [ 0.333333330000000, 0.666666670000000, 0.329996700000000 ] mass: 112.411000 reduced_to: 7 - symbol: Cd # 8 coordinates: [ 0.333333330000000, 0.666666670000000, 0.009983050000000 ] mass: 112.411000 reduced_to: 8 - symbol: Cd # 9 coordinates: [ 0.000000000000000, 0.000000000000000, 0.530008670000000 ] mass: 112.411000 reduced_to: 9 - symbol: Cd # 10 coordinates: [ 0.000000000000000, 0.000000000000000, 0.289988770000000 ] mass: 112.411000 reduced_to: 10 - symbol: Cd # 11 coordinates: [ 0.333333330000000, 0.666666670000000, 0.169974580000000 ] mass: 112.411000 reduced_to: 11 - symbol: Cd # 12 coordinates: [ 0.333333330000000, 0.666666670000000, 0.730031060000000 ] mass: 112.411000 reduced_to: 12 - symbol: Cd # 13 coordinates: [ 0.333333330000000, 0.666666670000000, 0.810030600000000 ] mass: 112.411000 reduced_to: 13 - symbol: Cd # 14 coordinates: [ 0.333333330000000, 0.666666670000000, 0.089972130000000 ] mass: 112.411000 reduced_to: 14 - symbol: Cd # 15 coordinates: [ 0.000000000000000, 0.000000000000000, 0.930002660000000 ] mass: 112.411000 reduced_to: 15 - symbol: Cd # 16 coordinates: [ 0.000000000000000, 0.000000000000000, 0.610013000000000 ] mass: 112.411000 reduced_to: 16 - symbol: Cd # 17 coordinates: [ 0.000000000000000, 0.000000000000000, 0.690025530000000 ] mass: 112.411000 reduced_to: 17 - symbol: Cd # 18 coordinates: [ 0.000000000000000, 0.000000000000000, 0.049975400000000 ] mass: 112.411000 reduced_to: 18 - symbol: Cd # 19 coordinates: [ 0.000000000000000, 0.000000000000000, 0.129974060000000 ] mass: 112.411000 reduced_to: 19 - symbol: Cd # 20 coordinates: [ 0.333333330000000, 0.666666670000000, 0.890017960000000 ] mass: 112.411000 reduced_to: 20 - symbol: Cd # 21 coordinates: [ 0.333333330000000, 0.666666670000000, 0.490007550000000 ] mass: 112.411000 reduced_to: 21 - symbol: Cd # 22 coordinates: [ 0.333333330000000, 0.666666670000000, 0.249980860000000 ] mass: 112.411000 reduced_to: 22 - symbol: Cd # 23 coordinates: [ 0.000000000000000, 0.000000000000000, 0.450003060000000 ] mass: 112.411000 reduced_to: 23 - symbol: Cd # 24 coordinates: [ 0.000000000000000, 0.000000000000000, 0.850024870000000 ] mass: 112.411000 reduced_to: 24 - symbol: Cd # 25 coordinates: [ 0.000000000000000, 0.000000000000000, 0.209977220000000 ] mass: 112.411000 reduced_to: 25 - symbol: I # 26 coordinates: [ 0.666666670000000, 0.333333330000000, 0.120009870000000 ] mass: 126.904470 reduced_to: 26 - symbol: I # 27 coordinates: [ 0.666666670000000, 0.333333330000000, 0.520043950000000 ] mass: 126.904470 reduced_to: 27 - symbol: I # 28 coordinates: [ 0.666666670000000, 0.333333330000000, 0.360035080000000 ] mass: 126.904470 reduced_to: 28 - symbol: I # 29 coordinates: [ 0.666666670000000, 0.333333330000000, 0.240016210000000 ] mass: 126.904470 reduced_to: 29 - symbol: I # 30 coordinates: [ 0.666666670000000, 0.333333330000000, 0.200012800000000 ] mass: 126.904470 reduced_to: 30 - symbol: I # 31 coordinates: [ 0.666666670000000, 0.333333330000000, 0.560045050000000 ] mass: 126.904470 reduced_to: 31 - symbol: I # 32 coordinates: [ 0.666666670000000, 0.333333330000000, 0.480042730000000 ] mass: 126.904470 reduced_to: 32 - symbol: I # 33 coordinates: [ 0.666666670000000, 0.333333330000000, 0.880053420000000 ] mass: 126.904470 reduced_to: 33 - symbol: I # 34 coordinates: [ 0.000000000000000, 0.000000000000000, 0.899977360000000 ] mass: 126.904470 reduced_to: 34 - symbol: I # 35 coordinates: [ 0.666666670000000, 0.333333330000000, 0.840059910000000 ] mass: 126.904470 reduced_to: 35 - symbol: I # 36 coordinates: [ 0.666666670000000, 0.333333330000000, 0.640054020000000 ] mass: 126.904470 reduced_to: 36 - symbol: I # 37 coordinates: [ 0.666666670000000, 0.333333330000000, 0.720065960000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 38 coordinates: [ 0.333333330000000, 0.666666670000000, 0.979950070000000 ] mass: 126.904470 reduced_to: 38 - symbol: I # 39 coordinates: [ 0.666666670000000, 0.333333330000000, 0.680060470000000 ] mass: 126.904470 reduced_to: 39 - symbol: I # 40 coordinates: [ 0.000000000000000, 0.000000000000000, 0.579969990000000 ] mass: 126.904470 reduced_to: 40 - symbol: I # 41 coordinates: [ 0.000000000000000, 0.000000000000000, 0.019942120000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 42 coordinates: [ 0.000000000000000, 0.000000000000000, 0.659979390000000 ] mass: 126.904470 reduced_to: 42 - symbol: I # 43 coordinates: [ 0.333333330000000, 0.666666670000000, 0.139934030000000 ] mass: 126.904470 reduced_to: 43 - symbol: I # 44 coordinates: [ 0.000000000000000, 0.000000000000000, 0.739991290000000 ] mass: 126.904470 reduced_to: 44 - symbol: I # 45 coordinates: [ 0.666666670000000, 0.333333330000000, 0.600048200000000 ] mass: 126.904470 reduced_to: 45 - symbol: I # 46 coordinates: [ 0.000000000000000, 0.000000000000000, 0.819990320000000 ] mass: 126.904470 reduced_to: 46 - symbol: I # 47 coordinates: [ 0.666666670000000, 0.333333330000000, 0.920039010000000 ] mass: 126.904470 reduced_to: 47 - symbol: I # 48 coordinates: [ 0.333333330000000, 0.666666670000000, 0.699986040000000 ] mass: 126.904470 reduced_to: 48 - symbol: I # 49 coordinates: [ 0.666666670000000, 0.333333330000000, 0.400035480000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 50 coordinates: [ 0.333333330000000, 0.666666670000000, 0.299949110000000 ] mass: 126.904470 reduced_to: 50 - symbol: I # 51 coordinates: [ 0.333333330000000, 0.666666670000000, 0.219937330000000 ] mass: 126.904470 reduced_to: 51 - symbol: I # 52 coordinates: [ 0.666666670000000, 0.333333330000000, 0.800065500000000 ] mass: 126.904470 reduced_to: 52 - symbol: I # 53 coordinates: [ 0.666666670000000, 0.333333330000000, 0.320031950000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 54 coordinates: [ 0.333333330000000, 0.666666670000000, 0.059934740000000 ] mass: 126.904470 reduced_to: 54 - symbol: I # 55 coordinates: [ 0.333333330000000, 0.666666670000000, 0.619973380000000 ] mass: 126.904470 reduced_to: 55 - symbol: I # 56 coordinates: [ 0.000000000000000, 0.000000000000000, 0.179934500000000 ] mass: 126.904470 reduced_to: 56 - symbol: I # 57 coordinates: [ 0.666666670000000, 0.333333330000000, 0.280023970000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 58 coordinates: [ 0.333333330000000, 0.666666670000000, 0.859984470000000 ] mass: 126.904470 reduced_to: 58 - symbol: I # 59 coordinates: [ 0.000000000000000, 0.000000000000000, 0.099932020000000 ] mass: 126.904470 reduced_to: 59 - symbol: I # 60 coordinates: [ 0.666666670000000, 0.333333330000000, 0.080008130000000 ] mass: 126.904470 reduced_to: 60 - symbol: I # 61 coordinates: [ 0.333333330000000, 0.666666670000000, 0.939960800000000 ] mass: 126.904470 reduced_to: 61 - symbol: I # 62 coordinates: [ 0.666666670000000, 0.333333330000000, 0.000019030000000 ] mass: 126.904470 reduced_to: 62 - symbol: I # 63 coordinates: [ 0.000000000000000, 0.000000000000000, 0.419960310000000 ] mass: 126.904470 reduced_to: 63 - symbol: I # 64 coordinates: [ 0.666666670000000, 0.333333330000000, 0.960027210000000 ] mass: 126.904470 reduced_to: 64 - symbol: I # 65 coordinates: [ 0.666666670000000, 0.333333330000000, 0.160010290000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 66 coordinates: [ 0.333333330000000, 0.666666670000000, 0.779991640000000 ] mass: 126.904470 reduced_to: 66 - symbol: I # 67 coordinates: [ 0.333333330000000, 0.666666670000000, 0.459963470000000 ] mass: 126.904470 reduced_to: 67 - symbol: I # 68 coordinates: [ 0.000000000000000, 0.000000000000000, 0.259940990000000 ] mass: 126.904470 reduced_to: 68 - symbol: I # 69 coordinates: [ 0.666666670000000, 0.333333330000000, 0.040011190000000 ] mass: 126.904470 reduced_to: 69 - symbol: I # 70 coordinates: [ 0.333333330000000, 0.666666670000000, 0.379959990000000 ] mass: 126.904470 reduced_to: 70 - symbol: I # 71 coordinates: [ 0.666666670000000, 0.333333330000000, 0.760066500000000 ] mass: 126.904470 reduced_to: 71 - symbol: I # 72 coordinates: [ 0.000000000000000, 0.000000000000000, 0.499967880000000 ] mass: 126.904470 reduced_to: 72 - symbol: I # 73 coordinates: [ 0.333333330000000, 0.666666670000000, 0.539968990000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 74 coordinates: [ 0.000000000000000, 0.000000000000000, 0.339957050000000 ] mass: 126.904470 reduced_to: 74 - symbol: I # 75 coordinates: [ 0.666666670000000, 0.333333330000000, 0.440038300000000 ] mass: 126.904470 reduced_to: 75displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0214807700000000, 0.0000005800000000, -0.0005363700000000 ] - [ -0.0000003900000000, -0.0000003900000000, 0.0002753900000000 ] - [ -0.0000008300000000, -0.0000003900000000, -0.0000123600000000 ] - [ -0.0000001400000000, 0.0000001100000000, 0.0002040700000000 ] - [ 0.0000003100000000, 0.0000001100000000, -0.0000128100000000 ] - [ -0.0000003100000000, -0.0000004200000000, 0.0001027600000000 ] - [ -0.0000007700000000, -0.0000004100000000, 0.0000146500000000 ] - [ 0.0000350500000000, -0.0000003100000000, -0.0002950700000000 ] - [ -0.0000016700000000, 0.0000000800000000, 0.0000996100000000 ] - [ 0.0000000000000000, 0.0000001000000000, -0.0001049100000000 ] - [ 0.0000002700000000, -0.0000003900000000, -0.0002537600000000 ] - [ -0.0000017800000000, -0.0000004100000000, 0.0004088500000000 ] - [ -0.0000019600000000, -0.0000004200000000, 0.0002848400000000 ] - [ -0.0000009900000000, -0.0000004100000000, -0.0001168200000000 ] - [ 0.0000961900000000, 0.0000002500000000, 0.0005579200000000 ] - [ 0.0000004600000000, 0.0000000800000000, 0.0003332000000000 ] - [ 0.0000003100000000, 0.0000001000000000, 0.0004086300000000 ] - [ -0.0000009900000000, 0.0000000600000000, -0.0003416100000000 ] - [ -0.0000016100000000, 0.0000000700000000, -0.0001517800000000 ] - [ -0.0000014200000000, -0.0000004400000000, 0.0003540000000000 ] - [ -0.0000005900000000, -0.0000004100000000, 0.0000593900000000 ] - [ 0.0000006600000000, -0.0000003900000000, -0.0002086300000000 ] - [ -0.0000010800000000, 0.0000000900000000, 0.0000510800000000 ] - [ -0.0000007800000000, 0.0000001200000000, 0.0001749000000000 ] - [ 0.0000001800000000, 0.0000000800000000, -0.0001772500000000 ] - [ -0.0000018100000000, 0.0000002100000000, -0.0002500000000000 ] - [ -0.0000010800000000, 0.0000002100000000, 0.0002219800000000 ] - [ -0.0000017400000000, 0.0000002200000000, 0.0000997300000000 ] - [ -0.0000003000000000, 0.0000000400000000, 0.0000692700000000 ] - [ -0.0000004800000000, 0.0000002200000000, -0.0000823800000000 ] - [ -0.0000011400000000, 0.0000000400000000, 0.0002758000000000 ] - [ -0.0000006900000000, 0.0000000400000000, 0.0001961800000000 ] - [ 0.0000004500000000, -0.0000005200000000, 0.0001838800000000 ] - [ -0.0000034900000000, 0.0000001000000000, -0.0000823400000000 ] - [ -0.0000013400000000, 0.0000002200000000, 0.0004636200000000 ] - [ -0.0000010400000000, 0.0000000400000000, 0.0002885000000000 ] - [ -0.0000017100000000, 0.0000000400000000, 0.0003369200000000 ] - [ 0.0109795500000000, -0.0002047200000000, 0.0002011400000000 ] - [ -0.0000001600000000, 0.0000002300000000, 0.0003294600000000 ] - [ -0.0000021400000000, 0.0000001200000000, -0.0000021500000000 ] - [ -0.0000316600000000, 0.0000002100000000, -0.0003125600000000 ] - [ -0.0000014200000000, 0.0000001200000000, 0.0000348100000000 ] - [ -0.0000012300000000, -0.0000001000000000, -0.0005787700000000 ] - [ -0.0000018000000000, 0.0000001300000000, 0.0000006500000000 ] - [ 0.0000002700000000, 0.0000002200000000, 0.0002139200000000 ] - [ -0.0000007000000000, 0.0000001100000000, 0.0001011300000000 ] - [ 0.0000064000000000, 0.0000002800000000, -0.0000545300000000 ] - [ -0.0000002700000000, -0.0000000800000000, -0.0000350800000000 ] - [ -0.0000007700000000, 0.0000000400000000, 0.0001094900000000 ] - [ -0.0000010100000000, -0.0000000900000000, -0.0002286400000000 ] - [ -0.0000016900000000, -0.0000000900000000, -0.0003919000000000 ] - [ -0.0000012700000000, 0.0000000400000000, 0.0004381000000000 ] - [ -0.0000007600000000, 0.0000000500000000, 0.0000345100000000 ] - [ 0.0000002700000000, 0.0000004600000000, -0.0003420300000000 ] - [ -0.0000007300000000, -0.0000000900000000, -0.0001295900000000 ] - [ -0.0000005500000000, 0.0000001400000000, -0.0004826300000000 ] - [ -0.0000008700000000, 0.0000002200000000, 0.0000741300000000 ] - [ -0.0000001400000000, -0.0000000600000000, 0.0000876100000000 ] - [ -0.0000030200000000, 0.0000001300000000, -0.0005488300000000 ] - [ -0.0000001700000000, 0.0000000400000000, -0.0002415600000000 ] - [ -0.0002800800000000, -0.0000001500000000, -0.0004547100000000 ] - [ -0.0001900800000000, -0.0000000400000000, 0.0000311700000000 ] - [ 0.0000000700000000, 0.0000001300000000, -0.0002171800000000 ] - [ 0.0109263700000000, 0.0002041600000000, 0.0000158800000000 ] - [ -0.0000005800000000, 0.0000000300000000, -0.0001407400000000 ] - [ -0.0000005400000000, -0.0000000700000000, 0.0001194800000000 ] - [ -0.0000006600000000, -0.0000000800000000, -0.0001456600000000 ] - [ -0.0000029400000000, 0.0000001200000000, -0.0002643700000000 ] - [ -0.0000019300000000, 0.0000002200000000, -0.0000556900000000 ] - [ -0.0000011100000000, -0.0000000900000000, -0.0002036500000000 ] - [ -0.0000015500000000, 0.0000002100000000, 0.0004806800000000 ] - [ -0.0000016000000000, 0.0000001200000000, -0.0000905000000000 ] - [ -0.0000007300000000, -0.0000000900000000, -0.0001517300000000 ] - [ -0.0000025700000000, 0.0000001300000000, -0.0002484800000000 ] - [ -0.0000011900000000, 0.0000002200000000, 0.0002097400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0618174300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006773000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003888700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006071000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003931200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005052000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004159200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001576800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005026700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002987200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001483700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008101800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006859400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002854000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010234700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007392900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008134800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000609700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002512900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007582300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004613600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001933800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004533200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005776000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002260300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004523200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000185300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001032700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001329600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002835800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000731400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000060300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000179200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002838800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002609400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000865700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001342000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0304303000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001283500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002018200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005306700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001667200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007784600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002000500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000133100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000983000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002668200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002348700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000929100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004281400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005921900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002359700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001675400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005430300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003292200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006810400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001271300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001121900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007495600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004438400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004284400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000666200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004167100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0305099100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003432000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000804100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003454800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004673800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002563800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004037800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002776900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002911000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003516300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004519600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000079400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0607513200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001265900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004135800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001998000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004189500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002996500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003865000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007476400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003034900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005081500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006558500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000075500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001162200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005189800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000950000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000729000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000046100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007434200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005547600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000502300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003424700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006104600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003506200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002271500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005802600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000468400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004263300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003035600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002721200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001197400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004790000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003989200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003875100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001182200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006672300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004909800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005401800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0303080800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005313200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001965000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000951100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002354500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003804100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002003700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004152900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002996900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001584900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001636900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003125600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000303200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001928300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006407200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002372100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001438500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000689000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002852300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002762400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002863600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003491900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000387400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004774700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000102400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000187800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301992400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000623700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003182600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000529300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000625800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001459100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000047200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006845300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001090000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000469900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000461300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004123800000000 ]- atom: 2 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000002200000000, 0.0000003800000000, -0.0005236600000000 ] - [ -0.0215155500000000, -0.0000244900000000, 0.0002711600000000 ] - [ 0.0000011300000000, -0.0000000900000000, -0.0000124900000000 ] - [ -0.0000007200000000, 0.0000004400000000, 0.0002039600000000 ] - [ 0.0000009500000000, 0.0000004100000000, -0.0000129100000000 ] - [ 0.0000021100000000, -0.0000001100000000, 0.0001026500000000 ] - [ 0.0000021200000000, -0.0000001000000000, 0.0000145300000000 ] - [ 0.0000023700000000, -0.0000000900000000, -0.0002952600000000 ] - [ -0.0000005700000000, 0.0000004000000000, 0.0000994500000000 ] - [ -0.0000006000000000, 0.0000004200000000, -0.0001050200000000 ] - [ 0.0000008600000000, -0.0000000800000000, -0.0002538500000000 ] - [ 0.0000011700000000, -0.0000001000000000, 0.0004086900000000 ] - [ 0.0000004200000000, -0.0000001100000000, 0.0002847000000000 ] - [ 0.0000003600000000, -0.0000000800000000, -0.0001169200000000 ] - [ 0.0000010600000000, 0.0000004300000000, 0.0005583400000000 ] - [ 0.0000352500000000, 0.0000001000000000, 0.0003328800000000 ] - [ 0.0000352600000000, 0.0000003200000000, 0.0004086300000000 ] - [ -0.0000004900000000, 0.0000003800000000, -0.0003417100000000 ] - [ -0.0000003000000000, 0.0000003800000000, -0.0001518300000000 ] - [ 0.0000020600000000, -0.0000001200000000, 0.0003538200000000 ] - [ 0.0000004000000000, -0.0000000900000000, 0.0000592500000000 ] - [ 0.0000022700000000, -0.0000000800000000, -0.0002087200000000 ] - [ 0.0000006700000000, 0.0000004100000000, 0.0000509300000000 ] - [ 0.0000006100000000, 0.0000004300000000, 0.0001747200000000 ] - [ -0.0000000400000000, 0.0000004000000000, -0.0001773500000000 ] - [ -0.0000000500000000, 0.0000005300000000, -0.0002501400000000 ] - [ -0.0000001900000000, 0.0000005300000000, 0.0002218700000000 ] - [ 0.0000009900000000, 0.0000005200000000, 0.0000996100000000 ] - [ 0.0000000100000000, 0.0000003600000000, 0.0000691400000000 ] - [ 0.0000000800000000, 0.0000005400000000, -0.0000825000000000 ] - [ 0.0000005900000000, 0.0000003600000000, 0.0002757000000000 ] - [ -0.0000001000000000, 0.0000003600000000, 0.0001960700000000 ] - [ 0.0000009800000000, 0.0000003500000000, 0.0001844200000000 ] - [ -0.0000009300000000, 0.0000004100000000, -0.0000824600000000 ] - [ 0.0000002600000000, 0.0000005300000000, 0.0004635200000000 ] - [ 0.0107313900000000, -0.0002037700000000, 0.0000410900000000 ] - [ -0.0000004800000000, 0.0000003500000000, 0.0003367900000000 ] - [ -0.0000016200000000, 0.0000001600000000, -0.0000463900000000 ] - [ -0.0001885000000000, 0.0000006000000000, 0.0003298400000000 ] - [ -0.0000006900000000, 0.0000004400000000, -0.0000022500000000 ] - [ 0.0000014000000000, 0.0000004800000000, -0.0003127600000000 ] - [ 0.0109693600000000, 0.0002049600000000, 0.0002820200000000 ] - [ 0.0000003800000000, 0.0000002200000000, -0.0005789100000000 ] - [ 0.0000000900000000, 0.0000004300000000, 0.0000005300000000 ] - [ 0.0000216400000000, 0.0000004900000000, 0.0002138400000000 ] - [ -0.0000004600000000, 0.0000004300000000, 0.0001010100000000 ] - [ 0.0000005500000000, 0.0000005300000000, -0.0000545600000000 ] - [ -0.0000299700000000, 0.0000001800000000, -0.0000351300000000 ] - [ -0.0000005600000000, 0.0000003600000000, 0.0001093700000000 ] - [ 0.0000003900000000, 0.0000002200000000, -0.0002287800000000 ] - [ -0.0000005200000000, 0.0000002300000000, -0.0003920500000000 ] - [ -0.0000003400000000, 0.0000003600000000, 0.0004380000000000 ] - [ 0.0000001200000000, 0.0000003600000000, 0.0000344000000000 ] - [ 0.0000000800000000, 0.0000002100000000, -0.0003428200000000 ] - [ -0.0000748400000000, 0.0000009700000000, -0.0001298400000000 ] - [ -0.0000000600000000, 0.0000004600000000, -0.0004827800000000 ] - [ 0.0000014100000000, 0.0000005400000000, 0.0000740100000000 ] - [ 0.0000009800000000, 0.0000002500000000, 0.0000875100000000 ] - [ 0.0000000500000000, 0.0000004400000000, -0.0005489800000000 ] - [ 0.0000003900000000, 0.0000003600000000, -0.0002417000000000 ] - [ -0.0000013500000000, 0.0000003300000000, -0.0004546800000000 ] - [ 0.0000003900000000, 0.0000003500000000, 0.0000306500000000 ] - [ 0.0000006300000000, 0.0000004500000000, -0.0002173200000000 ] - [ 0.0000002800000000, 0.0000005300000000, 0.0002629800000000 ] - [ 0.0000004700000000, 0.0000003500000000, -0.0001408700000000 ] - [ -0.0000015000000000, 0.0000002400000000, 0.0001193800000000 ] - [ -0.0000009500000000, 0.0000002300000000, -0.0001457800000000 ] - [ -0.0000006200000000, 0.0000004400000000, -0.0002645200000000 ] - [ -0.0000005700000000, 0.0000005300000000, -0.0000558100000000 ] - [ -0.0000001200000000, 0.0000002300000000, -0.0002037800000000 ] - [ 0.0000006700000000, 0.0000005400000000, 0.0004805700000000 ] - [ -0.0000007000000000, 0.0000004300000000, -0.0000906200000000 ] - [ 0.0000011100000000, 0.0000002300000000, -0.0001518400000000 ] - [ 0.0000002400000000, 0.0000004500000000, -0.0002486000000000 ] - [ -0.0000004000000000, 0.0000005400000000, 0.0002096200000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001216000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0610426700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003886100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006046000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003874000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005038400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004163300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001087900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005001100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002945500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001460900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008094800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006861300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002847100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009587100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007844900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008599800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000578900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002484000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007551400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004608200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001958800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004516000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005752500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002235400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004501800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000196300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001004300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001321000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002843100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000738900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000053700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000157700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002812400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002620000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0304792300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001365200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002477400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003670400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001999600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005104500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0304990400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007778200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001978600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000008100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000968800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002553700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002522000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000923700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004297100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005904500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002362500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001663500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005429000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000095400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006814500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001253700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001095000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007495900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004422000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006581200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001694000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004147300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000640400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003414400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000798300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003436700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004641900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002567900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004031300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002793300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002889000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003496800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004463300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000074400000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0009257400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0615881100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004130900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001963200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004129800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002982200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003872400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006992300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003008100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005044000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006537000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000074700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001164800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005185200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001586000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001179200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000424200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007410200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005518100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000475200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003425100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006130500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003493800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002255400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005779900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000479400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004247300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003008200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002718300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001212500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004779000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003979700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003856200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001151300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006659500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301181100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005376800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001524900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002883200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001948800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001174600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0302151000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003823700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001979800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004266000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002980700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001473000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001807300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003119700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000295300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001956200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006403800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002363300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001453800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002470500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002860400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002748900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002834200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003506800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000392400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002522300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002327600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000210100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004642000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000614200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003173400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000510400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000666300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001475800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000058600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006829500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001069200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000451300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000523300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004127000000000 ]- atom: 3 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000003500000000, 0.0000005300000000, -0.0005236900000000 ] - [ 0.0000013500000000, 0.0000000800000000, 0.0002752300000000 ] - [ -0.0215329500000000, -0.0000363600000000, -0.0000142400000000 ] - [ 0.0000007900000000, 0.0000006000000000, 0.0002039300000000 ] - [ 0.0000008400000000, 0.0000005800000000, -0.0000129500000000 ] - [ 0.0000006800000000, 0.0000000500000000, 0.0001025800000000 ] - [ 0.0000022500000000, 0.0000000600000000, 0.0000144900000000 ] - [ 0.0000006800000000, 0.0000000700000000, -0.0002953100000000 ] - [ 0.0000355100000000, 0.0000002600000000, 0.0000992300000000 ] - [ 0.0000011600000000, 0.0000005800000000, -0.0001050600000000 ] - [ 0.0000024700000000, 0.0000000900000000, -0.0002538900000000 ] - [ 0.0000005500000000, 0.0000000700000000, 0.0004086800000000 ] - [ 0.0000023400000000, 0.0000000400000000, 0.0002846500000000 ] - [ 0.0000010600000000, 0.0000000800000000, -0.0001169300000000 ] - [ -0.0000002000000000, 0.0000005900000000, 0.0005583100000000 ] - [ 0.0000355200000000, 0.0000004600000000, 0.0003332400000000 ] - [ -0.0000004900000000, 0.0000005800000000, 0.0004084500000000 ] - [ -0.0000001300000000, 0.0000005500000000, -0.0003417400000000 ] - [ 0.0000001900000000, 0.0000005400000000, -0.0001518700000000 ] - [ 0.0000023000000000, 0.0000000400000000, 0.0003538000000000 ] - [ 0.0000013100000000, 0.0000000600000000, 0.0000592400000000 ] - [ 0.0000023200000000, 0.0000000800000000, -0.0002087600000000 ] - [ -0.0000003900000000, 0.0000005800000000, 0.0000508800000000 ] - [ 0.0000012000000000, 0.0000005800000000, 0.0001746900000000 ] - [ -0.0000003600000000, 0.0000005500000000, -0.0001774000000000 ] - [ 0.0000002800000000, 0.0000007000000000, -0.0002501700000000 ] - [ 0.0000218700000000, 0.0000006600000000, 0.0002218600000000 ] - [ -0.0000002000000000, 0.0000007000000000, 0.0000995900000000 ] - [ 0.0000003200000000, 0.0000005200000000, 0.0000691200000000 ] - [ 0.0000016200000000, 0.0000006900000000, -0.0000825400000000 ] - [ 0.0107331100000000, -0.0002036200000000, 0.0000283500000000 ] - [ 0.0000008000000000, 0.0000005200000000, 0.0001960500000000 ] - [ 0.0000008100000000, 0.0000005200000000, 0.0001843800000000 ] - [ -0.0000000500000000, 0.0000005700000000, -0.0000824900000000 ] - [ 0.0000007600000000, 0.0000006900000000, 0.0004634900000000 ] - [ -0.0000002700000000, 0.0000005100000000, 0.0002883500000000 ] - [ -0.0000001400000000, 0.0000005200000000, 0.0003367800000000 ] - [ 0.0000002500000000, 0.0000003200000000, -0.0000464100000000 ] - [ 0.0000008900000000, 0.0000007000000000, 0.0003293300000000 ] - [ 0.0109720900000000, 0.0002051700000000, 0.0002450600000000 ] - [ 0.0000002600000000, 0.0000006300000000, -0.0003127900000000 ] - [ 0.0000002900000000, 0.0000005900000000, 0.0000346600000000 ] - [ -0.0000003100000000, 0.0000003800000000, -0.0005789400000000 ] - [ -0.0000002400000000, 0.0000006000000000, 0.0000004900000000 ] - [ -0.0001885300000000, 0.0000007600000000, 0.0002142200000000 ] - [ -0.0000007100000000, 0.0000005800000000, 0.0001009800000000 ] - [ 0.0000003000000000, 0.0000006900000000, -0.0000545900000000 ] - [ -0.0000013000000000, 0.0000003900000000, -0.0000352300000000 ] - [ 0.0000001000000000, 0.0000005200000000, 0.0001093500000000 ] - [ 0.0000000800000000, 0.0000003900000000, -0.0002288000000000 ] - [ 0.0000006000000000, 0.0000003800000000, -0.0003920700000000 ] - [ 0.0000011800000000, 0.0000005100000000, 0.0004379600000000 ] - [ -0.0000003400000000, 0.0000005200000000, 0.0000343700000000 ] - [ 0.0000005800000000, 0.0000003700000000, -0.0003428400000000 ] - [ -0.0000298100000000, 0.0000003300000000, -0.0001297000000000 ] - [ -0.0000004100000000, 0.0000006100000000, -0.0004828100000000 ] - [ 0.0000011900000000, 0.0000006900000000, 0.0000739800000000 ] - [ -0.0000011900000000, 0.0000004100000000, 0.0000874700000000 ] - [ 0.0000001500000000, 0.0000006100000000, -0.0005489900000000 ] - [ 0.0000006700000000, 0.0000005200000000, -0.0002417400000000 ] - [ -0.0000007800000000, 0.0000004900000000, -0.0004547200000000 ] - [ 0.0000005900000000, 0.0000005200000000, 0.0000306100000000 ] - [ -0.0000004900000000, 0.0000006000000000, -0.0002173400000000 ] - [ -0.0000003700000000, 0.0000007000000000, 0.0002629300000000 ] - [ 0.0000002200000000, 0.0000005100000000, -0.0001409000000000 ] - [ 0.0000011700000000, 0.0000004000000000, 0.0001193500000000 ] - [ 0.0000013100000000, 0.0000004000000000, -0.0001458100000000 ] - [ 0.0000004600000000, 0.0000006000000000, -0.0002645400000000 ] - [ 0.0000001700000000, 0.0000006800000000, -0.0000558600000000 ] - [ -0.0000007400000000, 0.0000003800000000, -0.0002038200000000 ] - [ 0.0000004600000000, 0.0000006900000000, 0.0004805400000000 ] - [ -0.0000004900000000, 0.0000006000000000, -0.0000906300000000 ] - [ -0.0000747400000000, 0.0000011300000000, -0.0001520500000000 ] - [ 0.0000008400000000, 0.0000006100000000, -0.0002486300000000 ] - [ 0.0000000100000000, 0.0000006900000000, 0.0002096100000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001228200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006761900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0613061200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006043600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003876300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005031600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004166000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001054000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005508200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002953300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001504200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008109100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006850300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002838900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009574200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007846800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008090000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000583900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002489600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007563800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004618100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001927600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004513800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005748800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002221500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004523200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000099400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001021700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001315500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002819100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0304668000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000052800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000160900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002810600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002622600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000884000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001352000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002459300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001281000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0304614700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005135500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001647700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007777100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001981900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002509400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000983800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002547100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002352700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000915700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004289100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005936200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002374800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001671200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005418500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003469600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006828800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001259100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001145900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007479200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004427500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006598400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001704500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004168500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000610100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003423500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000782400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003448300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004629400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002563500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004028600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002790600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002894800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000330500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004470500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000080200000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0009252400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001258200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0613107800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001964600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004133200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002982600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003875200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006960700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003518200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005053600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006584300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000064600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001159200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005173300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001592000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001179100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000080200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007418400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005525900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000482500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003425200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006100800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003495000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002255400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005768600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000464800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004346800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003025700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002709800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001182700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301304900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003981800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003854500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001140800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006655600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004891600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005390600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001511100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005315500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0302533700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001147900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002319800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003828800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001972900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001727100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002984700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001469900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001626900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003112500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000312100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001930800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006390400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002369300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001466400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000853400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002851500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002751700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002875400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003525900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000395900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002519900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002329200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000200900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004657300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000616600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003149500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000508200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000685500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001462000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000071900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006829000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001061100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002707700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000526600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004123800000000 ]- atom: 4 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000001900000000, 0.0000000600000000, -0.0005237800000000 ] - [ -0.0000009500000000, -0.0000004000000000, 0.0002752000000000 ] - [ 0.0000003100000000, -0.0000003900000000, -0.0000125400000000 ] - [ -0.0214352500000000, 0.0000004000000000, 0.0002055200000000 ] - [ 0.0000002800000000, 0.0000001100000000, -0.0000129800000000 ] - [ -0.0000008600000000, -0.0000004200000000, 0.0001025900000000 ] - [ -0.0000003600000000, -0.0000004100000000, 0.0000144700000000 ] - [ -0.0000017600000000, -0.0000004100000000, -0.0002953700000000 ] - [ 0.0000000700000000, 0.0000000800000000, 0.0000994200000000 ] - [ -0.0000011800000000, 0.0000001100000000, -0.0001050800000000 ] - [ -0.0000008500000000, -0.0000003800000000, -0.0002539500000000 ] - [ 0.0000349500000000, -0.0000001200000000, 0.0004084800000000 ] - [ 0.0000350400000000, -0.0000003300000000, 0.0002847000000000 ] - [ -0.0000004900000000, -0.0000003900000000, -0.0001170000000000 ] - [ -0.0000015800000000, 0.0000001300000000, 0.0005582100000000 ] - [ -0.0000015300000000, 0.0000000800000000, 0.0003330200000000 ] - [ -0.0000009400000000, 0.0000001000000000, 0.0004084600000000 ] - [ 0.0000003800000000, 0.0000000700000000, -0.0003418100000000 ] - [ 0.0000003200000000, 0.0000000700000000, -0.0001519200000000 ] - [ -0.0000010000000000, -0.0000004400000000, 0.0003537100000000 ] - [ 0.0000006800000000, -0.0000004000000000, 0.0000592100000000 ] - [ -0.0000006700000000, -0.0000003900000000, -0.0002088000000000 ] - [ 0.0000001200000000, 0.0000000900000000, 0.0000508800000000 ] - [ -0.0000008500000000, 0.0000001100000000, 0.0001745900000000 ] - [ -0.0000016000000000, 0.0000000800000000, -0.0001774500000000 ] - [ -0.0000010800000000, 0.0000002300000000, -0.0002501800000000 ] - [ -0.0000020300000000, 0.0000002200000000, 0.0002217600000000 ] - [ -0.0000014600000000, 0.0000002200000000, 0.0000995300000000 ] - [ -0.0000009000000000, 0.0000000500000000, 0.0000690700000000 ] - [ -0.0000010800000000, 0.0000002200000000, -0.0000825600000000 ] - [ -0.0000012600000000, 0.0000000400000000, 0.0002755700000000 ] - [ 0.0000001300000000, 0.0000000500000000, 0.0001959500000000 ] - [ -0.0000001800000000, 0.0000000400000000, 0.0001843600000000 ] - [ -0.0000030600000000, 0.0000000900000000, -0.0000825100000000 ] - [ -0.0000019400000000, 0.0000002200000000, 0.0004634300000000 ] - [ -0.0000010400000000, 0.0000000500000000, 0.0002882700000000 ] - [ 0.0000208200000000, 0.0000000800000000, 0.0003366900000000 ] - [ -0.0000012600000000, -0.0000001400000000, -0.0000465100000000 ] - [ -0.0000008700000000, 0.0000002200000000, 0.0003292500000000 ] - [ -0.0000024800000000, 0.0000001200000000, -0.0000023400000000 ] - [ 0.0000002800000000, 0.0000001600000000, -0.0003128500000000 ] - [ -0.0000004400000000, 0.0000001300000000, 0.0000346300000000 ] - [ 0.0000005900000000, -0.0000001000000000, -0.0005790200000000 ] - [ -0.0000764900000000, -0.0000006000000000, 0.0000002700000000 ] - [ -0.0000015700000000, 0.0000002200000000, 0.0002137100000000 ] - [ -0.0000316200000000, 0.0000001600000000, 0.0001010400000000 ] - [ -0.0000018000000000, 0.0000002200000000, -0.0000546200000000 ] - [ -0.0000014900000000, -0.0000000800000000, -0.0000352700000000 ] - [ 0.0000005500000000, 0.0000000500000000, 0.0001092800000000 ] - [ -0.0000008600000000, -0.0000000900000000, -0.0002288800000000 ] - [ -0.0000007600000000, -0.0000000800000000, -0.0003921600000000 ] - [ -0.0001899400000000, -0.0000000300000000, 0.0004383300000000 ] - [ -0.0000007700000000, 0.0000000400000000, 0.0000343200000000 ] - [ 0.0000001600000000, -0.0000001100000000, -0.0003429400000000 ] - [ -0.0000014800000000, -0.0000000800000000, -0.0001298000000000 ] - [ -0.0000014400000000, 0.0000001400000000, -0.0004828900000000 ] - [ -0.0000010100000000, 0.0000002200000000, 0.0000739500000000 ] - [ -0.0000001600000000, 0.0000001500000000, 0.0000877800000000 ] - [ -0.0000030900000000, 0.0000001400000000, -0.0005490800000000 ] - [ -0.0000005800000000, 0.0000000500000000, -0.0002417400000000 ] - [ -0.0000011800000000, 0.0000000200000000, -0.0004547400000000 ] - [ -0.0000001900000000, 0.0000000500000000, 0.0000306300000000 ] - [ -0.0000011400000000, 0.0000001300000000, -0.0002174100000000 ] - [ -0.0000009100000000, 0.0000002200000000, 0.0002629800000000 ] - [ -0.0000014300000000, 0.0000000400000000, -0.0001409100000000 ] - [ 0.0109722100000000, -0.0002046400000000, 0.0003666800000000 ] - [ -0.0000005400000000, -0.0000000800000000, -0.0001458700000000 ] - [ -0.0000011400000000, 0.0000001300000000, -0.0002646100000000 ] - [ -0.0000006200000000, 0.0000002200000000, -0.0000558500000000 ] - [ -0.0000014200000000, -0.0000000800000000, -0.0002038900000000 ] - [ 0.0107290800000000, 0.0002043200000000, 0.0002331900000000 ] - [ -0.0000016600000000, 0.0000001300000000, -0.0000907000000000 ] - [ -0.0000001600000000, -0.0000000900000000, -0.0001519300000000 ] - [ -0.0000020600000000, 0.0000001400000000, -0.0002487200000000 ] - [ -0.0000013600000000, 0.0000002200000000, 0.0002095400000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001210600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006751600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003874900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0610680100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003907700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005016200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004149000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001038600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005011000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002956500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001451700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008595700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007357000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002828100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009593900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007331200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008108500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000594900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002532700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007538800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004591200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001909900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004520400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005751500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002225500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004513800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000198900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001022900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001320900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002840600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000732000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000045900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000173700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002828600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002631900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000860400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001241400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002465100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001275700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002015900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005110200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001644100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007770400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001192200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000123500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001165200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002555200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002344200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000907000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004281100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005931700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004749700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001684700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005415900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003295600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006830100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001274100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001123800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007505100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004423600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006564600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001699400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004191700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000613100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003433100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0305822300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003445700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004638500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002571900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004043300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0306698800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002909700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003506000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004477000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000084600000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0009272800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001250500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004128100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0615217900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004170300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002966800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003860500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006945400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003024900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005055800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006531500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000424000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001662400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005168200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001570000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000672900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000066100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007430700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005570900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000462100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003408100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006087000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003500900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002259100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005777300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000478500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004244800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003022400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002710900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001200500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004785000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003970100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003865100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001157500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006644800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004910400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005495200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001513700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005316100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001948900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001173300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002318600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003835700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001180400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004157500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003165600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001474500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001619900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003099500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000319700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001935800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003963100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002379400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001469500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000679100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002850400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002763300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002850300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003501000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000403400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002554300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002320400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000178100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004653100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000623200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301307700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000505900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000677500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001467000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000057800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0299240900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001074300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000445500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000520300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004115000000000 ]- atom: 5 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000003200000000, 0.0000000700000000, -0.0005235500000000 ] - [ 0.0000006900000000, -0.0000003900000000, 0.0002753100000000 ] - [ 0.0000003000000000, -0.0000003900000000, -0.0000124400000000 ] - [ 0.0000003300000000, 0.0000001200000000, 0.0002040200000000 ] - [ -0.0214399600000000, 0.0000007000000000, -0.0000239500000000 ] - [ 0.0000350800000000, -0.0000003300000000, 0.0001028500000000 ] - [ 0.0000349800000000, -0.0000001200000000, 0.0000145000000000 ] - [ -0.0000008000000000, -0.0000004000000000, -0.0002951500000000 ] - [ -0.0000015700000000, 0.0000000900000000, 0.0000995200000000 ] - [ -0.0000008800000000, 0.0000001000000000, -0.0001048400000000 ] - [ 0.0000003600000000, -0.0000003900000000, -0.0002537200000000 ] - [ -0.0000007600000000, -0.0000004100000000, 0.0004087700000000 ] - [ -0.0000002900000000, -0.0000004300000000, 0.0002847600000000 ] - [ 0.0000007100000000, -0.0000003900000000, -0.0001167900000000 ] - [ -0.0000015600000000, 0.0000001200000000, 0.0005584400000000 ] - [ 0.0000001800000000, 0.0000000800000000, 0.0003331300000000 ] - [ 0.0000001200000000, 0.0000001000000000, 0.0004085300000000 ] - [ 0.0000001700000000, 0.0000000700000000, -0.0003415900000000 ] - [ 0.0000001200000000, 0.0000000700000000, -0.0001517000000000 ] - [ -0.0000005600000000, -0.0000004400000000, 0.0003539200000000 ] - [ -0.0000009500000000, -0.0000004200000000, 0.0000593200000000 ] - [ -0.0000008900000000, -0.0000004000000000, -0.0002085900000000 ] - [ -0.0000007800000000, 0.0000000900000000, 0.0000509800000000 ] - [ -0.0000010700000000, 0.0000001100000000, 0.0001748100000000 ] - [ -0.0000015200000000, 0.0000000800000000, -0.0001772300000000 ] - [ -0.0000019900000000, 0.0000002200000000, -0.0002500700000000 ] - [ -0.0000017700000000, 0.0000002200000000, 0.0002219700000000 ] - [ 0.0107332400000000, 0.0002043700000000, -0.0001476300000000 ] - [ -0.0000010000000000, 0.0000000500000000, 0.0000692000000000 ] - [ -0.0000015200000000, 0.0000002200000000, -0.0000824400000000 ] - [ -0.0000005600000000, 0.0000000400000000, 0.0002757800000000 ] - [ -0.0000001400000000, 0.0000000400000000, 0.0001961600000000 ] - [ -0.0000006500000000, 0.0000000400000000, 0.0001845100000000 ] - [ -0.0000015800000000, 0.0000001000000000, -0.0000823500000000 ] - [ -0.0000011500000000, 0.0000002200000000, 0.0004636000000000 ] - [ -0.0000002700000000, 0.0000000400000000, 0.0002884900000000 ] - [ -0.0000007200000000, 0.0000000500000000, 0.0003369000000000 ] - [ -0.0000014100000000, -0.0000001500000000, -0.0000463200000000 ] - [ -0.0000008200000000, 0.0000002200000000, 0.0003294500000000 ] - [ -0.0000005300000000, 0.0000001200000000, -0.0000021200000000 ] - [ -0.0000010800000000, 0.0000001600000000, -0.0003126700000000 ] - [ -0.0000029100000000, 0.0000001200000000, 0.0000348400000000 ] - [ -0.0000001200000000, -0.0000001000000000, -0.0005788200000000 ] - [ -0.0000025300000000, 0.0000001200000000, 0.0000006500000000 ] - [ -0.0000004400000000, 0.0000002200000000, 0.0002139100000000 ] - [ 0.0000001000000000, 0.0000001100000000, 0.0001011400000000 ] - [ -0.0000010400000000, 0.0000002100000000, -0.0000544800000000 ] - [ -0.0000009700000000, -0.0000000800000000, -0.0000350700000000 ] - [ -0.0001897800000000, -0.0000000300000000, 0.0001099000000000 ] - [ -0.0000014400000000, -0.0000001000000000, -0.0002286900000000 ] - [ -0.0000014400000000, -0.0000000900000000, -0.0003919600000000 ] - [ -0.0000007300000000, 0.0000000400000000, 0.0004380800000000 ] - [ 0.0000208500000000, 0.0000000800000000, 0.0000344600000000 ] - [ -0.0000005000000000, -0.0000001100000000, -0.0003427300000000 ] - [ -0.0000016400000000, -0.0000000800000000, -0.0001295900000000 ] - [ -0.0000024300000000, 0.0000001400000000, -0.0004827000000000 ] - [ -0.0000008300000000, 0.0000002200000000, 0.0000740700000000 ] - [ -0.0000006100000000, -0.0000000600000000, 0.0000876100000000 ] - [ -0.0000016000000000, 0.0000001400000000, -0.0005488800000000 ] - [ 0.0000001800000000, 0.0000000500000000, -0.0002416300000000 ] - [ -0.0000006400000000, 0.0000000200000000, -0.0004545700000000 ] - [ 0.0000006000000000, 0.0000000400000000, 0.0000307300000000 ] - [ -0.0000315500000000, 0.0000001800000000, -0.0002171200000000 ] - [ -0.0000014200000000, 0.0000002200000000, 0.0002630800000000 ] - [ -0.0000012100000000, 0.0000000300000000, -0.0001408000000000 ] - [ -0.0000010700000000, -0.0000000700000000, 0.0001195000000000 ] - [ -0.0000006500000000, -0.0000000700000000, -0.0001456600000000 ] - [ -0.0000003800000000, 0.0000001300000000, -0.0002644400000000 ] - [ -0.0000013000000000, 0.0000002100000000, -0.0000557400000000 ] - [ 0.0109698900000000, -0.0002046300000000, 0.0000436400000000 ] - [ -0.0000017000000000, 0.0000002100000000, 0.0004806600000000 ] - [ -0.0000030000000000, 0.0000001200000000, -0.0000904900000000 ] - [ -0.0000011900000000, -0.0000000900000000, -0.0001517200000000 ] - [ -0.0000763900000000, -0.0000005900000000, -0.0002487000000000 ] - [ -0.0000019100000000, 0.0000002200000000, 0.0002097200000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001178600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006756600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003880400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006082100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0613227000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005542800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004660400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001044400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005018300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002975000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001467800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008083400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006855200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002835600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009597100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007339600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008111200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000597500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002503200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007542500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004598800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001918500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004519100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005749200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002235900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004511900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000206400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302923600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001321700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002829900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000743100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000050800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000166100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002822300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002628400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000871900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001357700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002460700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001291400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001998100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005143700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001672700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007773900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002019600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000136000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000975500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002559000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002337600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001469700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004277000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005916300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002366700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001772900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005412800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003291100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006816900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001268400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001113400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007490500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004414600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006562200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001685000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004345200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000617000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003424500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000798100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003453700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004635600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002560300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302587000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002786300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002905300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003506200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001301200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000100600000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0009297000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001246700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004125300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002000100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0612825900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003480600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004363300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006942500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003022000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005061700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006539200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000095900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001156800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005167500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001575600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000672200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000067200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007424800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005532900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000457900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003407400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006087700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003494800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002247900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005780100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000469300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004249600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0303069800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002724400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001201300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004785800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003988500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003867500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001155900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006657700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004909900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005391800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001517400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005311600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001935500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001135700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002350700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003827400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002015400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004156600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002979700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001491700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001616600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000687700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000319400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001946200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006406500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002477400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001466700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000679000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002858300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002770500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002847600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003510600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000402000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002553200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002317500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000020300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004656700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000625600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003169600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000515100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000675700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001466800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0304537400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006840500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001073800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000449800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003668100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004112100000000 ]- atom: 6 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000000100000000, 0.0000004900000000, -0.0005236000000000 ] - [ 0.0000021400000000, 0.0000000300000000, 0.0002753400000000 ] - [ 0.0000005000000000, 0.0000000400000000, -0.0000124100000000 ] - [ -0.0000004000000000, 0.0000005500000000, 0.0002040300000000 ] - [ 0.0000353400000000, 0.0000002400000000, -0.0000130300000000 ] - [ -0.0215291100000000, -0.0000329500000000, 0.0000930200000000 ] - [ 0.0000011700000000, 0.0000000200000000, 0.0000146000000000 ] - [ 0.0000025200000000, 0.0000000200000000, -0.0002951900000000 ] - [ -0.0000005600000000, 0.0000005200000000, 0.0000995600000000 ] - [ -0.0000005200000000, 0.0000005400000000, -0.0001049600000000 ] - [ 0.0000021600000000, 0.0000000400000000, -0.0002538000000000 ] - [ 0.0000021600000000, 0.0000000300000000, 0.0004087600000000 ] - [ 0.0000024900000000, 0.0000000000000000, 0.0002847600000000 ] - [ 0.0000021500000000, 0.0000000400000000, -0.0001168200000000 ] - [ -0.0000001400000000, 0.0000005500000000, 0.0005584100000000 ] - [ 0.0000007400000000, 0.0000005100000000, 0.0003331600000000 ] - [ 0.0000010900000000, 0.0000005300000000, 0.0004085400000000 ] - [ -0.0000004700000000, 0.0000005000000000, -0.0003416400000000 ] - [ 0.0000011100000000, 0.0000004900000000, -0.0001517700000000 ] - [ 0.0000009100000000, 0.0000000000000000, 0.0003539100000000 ] - [ 0.0000011600000000, 0.0000000200000000, 0.0000593400000000 ] - [ 0.0000005000000000, 0.0000000300000000, -0.0002086500000000 ] - [ 0.0000353900000000, 0.0000004300000000, 0.0000511900000000 ] - [ 0.0000000600000000, 0.0000005400000000, 0.0001747800000000 ] - [ 0.0000007700000000, 0.0000005100000000, -0.0001772900000000 ] - [ 0.0000010800000000, 0.0000006400000000, -0.0002501100000000 ] - [ 0.0000007700000000, 0.0000006600000000, 0.0002218600000000 ] - [ 0.0000217700000000, 0.0000006100000000, 0.0000996400000000 ] - [ 0.0000000000000000, 0.0000004700000000, 0.0000691600000000 ] - [ -0.0000003000000000, 0.0000006500000000, -0.0000824800000000 ] - [ -0.0000002400000000, 0.0000004800000000, 0.0002756900000000 ] - [ -0.0000003800000000, 0.0000004700000000, 0.0001960400000000 ] - [ 0.0000003700000000, 0.0000004700000000, 0.0001844300000000 ] - [ 0.0000001900000000, 0.0000005200000000, -0.0000823100000000 ] - [ 0.0000001800000000, 0.0000006400000000, 0.0004635200000000 ] - [ 0.0000010800000000, 0.0000004600000000, 0.0002883800000000 ] - [ 0.0000007000000000, 0.0000004700000000, 0.0003367900000000 ] - [ -0.0000004500000000, 0.0000002800000000, -0.0000462900000000 ] - [ 0.0000006500000000, 0.0000006400000000, 0.0003293500000000 ] - [ -0.0000003500000000, 0.0000005500000000, -0.0000021200000000 ] - [ -0.0000005200000000, 0.0000005900000000, -0.0003126300000000 ] - [ -0.0000008100000000, 0.0000005500000000, 0.0000348600000000 ] - [ -0.0000000200000000, 0.0000003300000000, -0.0005787800000000 ] - [ -0.0000001400000000, 0.0000005500000000, 0.0000007000000000 ] - [ 0.0000003500000000, 0.0000006500000000, 0.0002138200000000 ] - [ -0.0000002500000000, 0.0000005400000000, 0.0001011800000000 ] - [ 0.0000002500000000, 0.0000006500000000, -0.0000545600000000 ] - [ -0.0000013100000000, 0.0000003500000000, -0.0000350300000000 ] - [ 0.0107356300000000, -0.0002037000000000, -0.0001379600000000 ] - [ 0.0000011700000000, 0.0000003500000000, -0.0002286400000000 ] - [ -0.0000008500000000, 0.0000003400000000, -0.0003919200000000 ] - [ -0.0000001800000000, 0.0000004700000000, 0.0004379900000000 ] - [ 0.0000006900000000, 0.0000004700000000, 0.0000344200000000 ] - [ 0.0000004800000000, 0.0000003200000000, -0.0003427100000000 ] - [ 0.0000010600000000, 0.0000003400000000, -0.0001295500000000 ] - [ 0.0000007400000000, 0.0000005700000000, -0.0004826600000000 ] - [ -0.0000001000000000, 0.0000006500000000, 0.0000740400000000 ] - [ 0.0000017100000000, 0.0000003700000000, 0.0000876600000000 ] - [ 0.0000003600000000, 0.0000005600000000, -0.0005488500000000 ] - [ 0.0000002100000000, 0.0000004700000000, -0.0002416600000000 ] - [ 0.0000001000000000, 0.0000004500000000, -0.0004545100000000 ] - [ 0.0000001000000000, 0.0000004700000000, 0.0000306700000000 ] - [ 0.0109702800000000, 0.0002051000000000, 0.0000301700000000 ] - [ 0.0000001700000000, 0.0000006500000000, 0.0002630500000000 ] - [ -0.0000004500000000, 0.0000004700000000, -0.0001408300000000 ] - [ -0.0000009200000000, 0.0000003600000000, 0.0001195300000000 ] - [ -0.0000298800000000, 0.0000002900000000, -0.0001456000000000 ] - [ -0.0000005900000000, 0.0000005500000000, -0.0002643800000000 ] - [ 0.0000015100000000, 0.0000006400000000, -0.0000557900000000 ] - [ -0.0000747300000000, 0.0000010800000000, -0.0002038300000000 ] - [ 0.0000001900000000, 0.0000006400000000, 0.0004805700000000 ] - [ 0.0000001900000000, 0.0000005500000000, -0.0000904800000000 ] - [ -0.0000014100000000, 0.0000003400000000, -0.0001516900000000 ] - [ -0.0000006100000000, 0.0000005700000000, -0.0002484600000000 ] - [ -0.0001886600000000, 0.0000007200000000, 0.0002100700000000 ]- atom: 6 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001215700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006763200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003874800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006030800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004381800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0611917100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004169100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001066500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004997900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002953200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001463800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008110900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006871400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002859800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009583900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007333000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008084500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000575500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002481700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007551500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004620800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001920100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005021000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005752100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002229300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004507000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000201500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001138000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001329200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002851900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000736000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000044700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000173800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002802900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002610400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000871700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001353100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002447700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001272000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002004500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005123200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001638500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007783100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001970200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000117100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000969800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002561400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002364100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0303006300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004260300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005900500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002346000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001681100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005438600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003266200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006802100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001290600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001100600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007466300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004429400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006558700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001710500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302456000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000606100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003432600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000821500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003636400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004626500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002556000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000843600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002785200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002892900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003513600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004464100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002477100000000 ]- atom: 6 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0009253300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001245500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004123100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001943800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004629100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0613467600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003872700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006967600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002998000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005043500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006538300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000067100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001169500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005186300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001595900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000661500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000093400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007400200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005509700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000465600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003429100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006084000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003989600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002249000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005767300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000478900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004252200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003134100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002721200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001215300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004790500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003979200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003870100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001156400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006666800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004905500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005389000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001510200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005324700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001956300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001139800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002334200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003802300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001984000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004172200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002996700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001479800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001661500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0302965700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000314000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001940800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006417600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002376800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001428200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000669100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002855400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002779900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002853900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003518800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000389100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002534300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002340800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0304654600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004673900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000627100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003212100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000710100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000662500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001459500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003202200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006835000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001076000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000471900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000505000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001690700000000 ]- atom: 7 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000004400000000, 0.0000005400000000, -0.0005237800000000 ] - [ 0.0000022800000000, 0.0000000900000000, 0.0002751300000000 ] - [ 0.0000021900000000, 0.0000001000000000, -0.0000125900000000 ] - [ 0.0000001300000000, 0.0000006000000000, 0.0002038400000000 ] - [ 0.0000354500000000, 0.0000005000000000, -0.0000128200000000 ] - [ 0.0000013000000000, 0.0000000600000000, 0.0001025400000000 ] - [ -0.0215318900000000, -0.0000368900000000, 0.0000183700000000 ] - [ 0.0000023000000000, 0.0000000900000000, -0.0002953700000000 ] - [ 0.0000008300000000, 0.0000005600000000, 0.0000993800000000 ] - [ 0.0000353600000000, 0.0000002900000000, -0.0001053300000000 ] - [ 0.0000005300000000, 0.0000001000000000, -0.0002539700000000 ] - [ 0.0000025100000000, 0.0000000700000000, 0.0004086000000000 ] - [ 0.0000010400000000, 0.0000000600000000, 0.0002845700000000 ] - [ 0.0000023200000000, 0.0000000800000000, -0.0001170300000000 ] - [ -0.0000002300000000, 0.0000006000000000, 0.0005582200000000 ] - [ 0.0000012200000000, 0.0000005600000000, 0.0003329800000000 ] - [ -0.0000002800000000, 0.0000005800000000, 0.0004083600000000 ] - [ 0.0000011800000000, 0.0000005500000000, -0.0003418300000000 ] - [ 0.0000008800000000, 0.0000005500000000, -0.0001519600000000 ] - [ 0.0000006300000000, 0.0000000400000000, 0.0003537300000000 ] - [ 0.0000006600000000, 0.0000000700000000, 0.0000591900000000 ] - [ 0.0000013200000000, 0.0000000800000000, -0.0002088600000000 ] - [ -0.0000004900000000, 0.0000005800000000, 0.0000508600000000 ] - [ -0.0000001000000000, 0.0000005900000000, 0.0001746000000000 ] - [ -0.0000004000000000, 0.0000005700000000, -0.0001774800000000 ] - [ -0.0000002200000000, 0.0000007100000000, -0.0002502200000000 ] - [ 0.0000004400000000, 0.0000007000000000, 0.0002217600000000 ] - [ -0.0001885700000000, 0.0000007700000000, 0.0000999500000000 ] - [ 0.0000007800000000, 0.0000005300000000, 0.0000690600000000 ] - [ 0.0000000000000000, 0.0000006900000000, -0.0000825800000000 ] - [ 0.0000011700000000, 0.0000005200000000, 0.0002755800000000 ] - [ -0.0000001500000000, 0.0000005300000000, 0.0001959500000000 ] - [ 0.0000005800000000, 0.0000005300000000, 0.0001843300000000 ] - [ 0.0000002100000000, 0.0000005800000000, -0.0000825700000000 ] - [ 0.0000003500000000, 0.0000007000000000, 0.0004634200000000 ] - [ 0.0000007900000000, 0.0000005200000000, 0.0002882800000000 ] - [ -0.0000000900000000, 0.0000005200000000, 0.0003367100000000 ] - [ 0.0000005500000000, 0.0000003300000000, -0.0000465100000000 ] - [ 0.0000002900000000, 0.0000007000000000, 0.0003292600000000 ] - [ -0.0000007100000000, 0.0000006000000000, -0.0000023900000000 ] - [ 0.0000004600000000, 0.0000006400000000, -0.0003128700000000 ] - [ -0.0000000400000000, 0.0000006100000000, 0.0000345900000000 ] - [ -0.0000007700000000, 0.0000003800000000, -0.0005790200000000 ] - [ -0.0000001500000000, 0.0000006100000000, 0.0000004300000000 ] - [ 0.0000007400000000, 0.0000007000000000, 0.0002137100000000 ] - [ 0.0000003000000000, 0.0000005900000000, 0.0001009100000000 ] - [ -0.0000001100000000, 0.0000007000000000, -0.0000546500000000 ] - [ -0.0000008500000000, 0.0000004000000000, -0.0000353100000000 ] - [ -0.0000002900000000, 0.0000005200000000, 0.0001092500000000 ] - [ -0.0000745100000000, 0.0000011300000000, -0.0002290000000000 ] - [ 0.0000012800000000, 0.0000003900000000, -0.0003921700000000 ] - [ 0.0000004600000000, 0.0000005200000000, 0.0004378900000000 ] - [ 0.0107339500000000, -0.0002036300000000, -0.0002130400000000 ] - [ 0.0000000700000000, 0.0000003800000000, -0.0003429300000000 ] - [ -0.0000012100000000, 0.0000004000000000, -0.0001298200000000 ] - [ -0.0000004900000000, 0.0000006200000000, -0.0004829000000000 ] - [ 0.0000218100000000, 0.0000006700000000, 0.0000739400000000 ] - [ 0.0000001500000000, 0.0000004200000000, 0.0000874000000000 ] - [ 0.0000008300000000, 0.0000006200000000, -0.0005490900000000 ] - [ -0.0000003600000000, 0.0000005300000000, -0.0002417900000000 ] - [ -0.0000003700000000, 0.0000005000000000, -0.0004547900000000 ] - [ 0.0000003000000000, 0.0000005200000000, 0.0000305600000000 ] - [ 0.0000002800000000, 0.0000006100000000, -0.0002174500000000 ] - [ 0.0000016000000000, 0.0000007000000000, 0.0002628800000000 ] - [ 0.0000001000000000, 0.0000005200000000, -0.0001409500000000 ] - [ 0.0000018000000000, 0.0000004100000000, 0.0001192700000000 ] - [ -0.0000013300000000, 0.0000004000000000, -0.0001459100000000 ] - [ -0.0000005000000000, 0.0000006200000000, -0.0002646200000000 ] - [ 0.0000011800000000, 0.0000006900000000, -0.0000559100000000 ] - [ -0.0000297700000000, 0.0000003400000000, -0.0002038700000000 ] - [ 0.0000002700000000, 0.0000007000000000, 0.0004804700000000 ] - [ -0.0000002600000000, 0.0000006000000000, -0.0000907500000000 ] - [ 0.0000011400000000, 0.0000003900000000, -0.0001519600000000 ] - [ 0.0109697400000000, 0.0002051500000000, -0.0000014100000000 ] - [ 0.0000008600000000, 0.0000007000000000, 0.0002095200000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001223000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006770600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003898600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006049000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004388000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005052600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0613110200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001077700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005001600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003465000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001483000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008128300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006860900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002832800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009582000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007335900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008082500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000588000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002489800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007539800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004596000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001928500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004518500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005751800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002235000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004522600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000204300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001381100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001329500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002849800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000751000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000055000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000187900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002798100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002615500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000874900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001339300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002467100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001277500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002005100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005098900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001624800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007764300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001970400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000122700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000959900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002563300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002362400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000905900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001097000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005890000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002361300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302269200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005419000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003306700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006804800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001390600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001105800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007459700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004435000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006540500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001700800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004155000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000637500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003423600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000776100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003447300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004617500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002558400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004213500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002785000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002884300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003485100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302149500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000084200000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0009250900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001267500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004142800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001966500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004637800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003004400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0613248200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006983000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003008000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005560900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006556300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000053000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001168000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005169500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001592800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000669800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000091200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007418400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005521500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000459600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003408300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006103000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003493500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002253800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005776400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000467700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004246400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000585800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002719400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001207600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004772300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003988200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003879900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001146000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006658200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004898800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005399800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001527300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005316400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001950400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001169500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002313700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003823800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001979300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004163100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002979600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001479800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001653900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003105900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003447200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001957900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006399100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0303733900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001452800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000703400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002856600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002870500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002853800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003529700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000388800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002558200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002327400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000203800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004635300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000613900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003160200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000516600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000677500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001457500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000120700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006831200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001060400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000435700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0304980300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004124800000000 ]- atom: 8 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000352300000000, 0.0000001100000000, -0.0005237800000000 ] - [ 0.0000023100000000, -0.0000000500000000, 0.0002753200000000 ] - [ 0.0000004000000000, -0.0000000500000000, -0.0000124400000000 ] - [ -0.0000014800000000, 0.0000004700000000, 0.0002040000000000 ] - [ -0.0000004800000000, 0.0000004500000000, -0.0000128500000000 ] - [ 0.0000024200000000, -0.0000000900000000, 0.0001027200000000 ] - [ 0.0000020900000000, -0.0000000600000000, 0.0000145800000000 ] - [ -0.0215355500000000, -0.0000271600000000, -0.0003030000000000 ] - [ -0.0000002400000000, 0.0000004200000000, 0.0000995300000000 ] - [ 0.0000009900000000, 0.0000004500000000, -0.0001049500000000 ] - [ 0.0000004200000000, -0.0000000400000000, -0.0002537800000000 ] - [ 0.0000023300000000, -0.0000000600000000, 0.0004087300000000 ] - [ 0.0000020600000000, -0.0000000900000000, 0.0002847300000000 ] - [ 0.0000010800000000, -0.0000000500000000, -0.0001168400000000 ] - [ -0.0000015200000000, 0.0000004700000000, 0.0005583800000000 ] - [ -0.0000004400000000, 0.0000004200000000, 0.0003331300000000 ] - [ -0.0000000300000000, 0.0000004400000000, 0.0004085200000000 ] - [ 0.0000354000000000, 0.0000003200000000, -0.0003415100000000 ] - [ -0.0000006400000000, 0.0000004200000000, -0.0001517600000000 ] - [ 0.0000009100000000, -0.0000000900000000, 0.0003538900000000 ] - [ 0.0000008300000000, -0.0000000600000000, 0.0000593300000000 ] - [ 0.0000020700000000, -0.0000000500000000, -0.0002086400000000 ] - [ -0.0000000200000000, 0.0000004400000000, 0.0000509900000000 ] - [ -0.0000016700000000, 0.0000004500000000, 0.0001747500000000 ] - [ 0.0000006300000000, 0.0000004300000000, -0.0001772800000000 ] - [ 0.0000006800000000, 0.0000005700000000, -0.0002500100000000 ] - [ 0.0000001700000000, 0.0000005700000000, 0.0002219700000000 ] - [ 0.0000001100000000, 0.0000005600000000, 0.0000997200000000 ] - [ 0.0000009900000000, 0.0000003900000000, 0.0000692600000000 ] - [ 0.0000002700000000, 0.0000005600000000, -0.0000823800000000 ] - [ 0.0000004000000000, 0.0000003900000000, 0.0002758000000000 ] - [ 0.0000002900000000, 0.0000003800000000, 0.0001961600000000 ] - [ 0.0000001400000000, 0.0000003800000000, 0.0001845300000000 ] - [ 0.0000006200000000, 0.0000004400000000, -0.0000824400000000 ] - [ -0.0000004100000000, 0.0000005600000000, 0.0004636200000000 ] - [ 0.0000017500000000, 0.0000003800000000, 0.0002884900000000 ] - [ 0.0000013100000000, 0.0000003800000000, 0.0003369000000000 ] - [ -0.0000738300000000, 0.0000009300000000, -0.0000466000000000 ] - [ -0.0000001800000000, 0.0000005600000000, 0.0003294600000000 ] - [ 0.0000000600000000, 0.0000004700000000, -0.0000022500000000 ] - [ 0.0109813900000000, 0.0002051900000000, -0.0000653400000000 ] - [ 0.0000000600000000, 0.0000004700000000, 0.0000347300000000 ] - [ -0.0000014900000000, 0.0000002400000000, -0.0005789400000000 ] - [ 0.0000005200000000, 0.0000004700000000, 0.0000005700000000 ] - [ -0.0000002800000000, 0.0000005600000000, 0.0002139200000000 ] - [ 0.0000002400000000, 0.0000004600000000, 0.0001010400000000 ] - [ 0.0000011000000000, 0.0000011200000000, -0.0000550700000000 ] - [ 0.0000001300000000, 0.0000002700000000, -0.0000351800000000 ] - [ -0.0000002600000000, 0.0000003900000000, 0.0001094800000000 ] - [ -0.0000013900000000, 0.0000002500000000, -0.0002287900000000 ] - [ 0.0000009600000000, 0.0000002500000000, -0.0003920700000000 ] - [ -0.0000000700000000, 0.0000004000000000, 0.0004380900000000 ] - [ 0.0000006200000000, 0.0000003900000000, 0.0000345100000000 ] - [ -0.0000300700000000, 0.0000001800000000, -0.0003428300000000 ] - [ -0.0000006000000000, 0.0000002600000000, -0.0001297000000000 ] - [ -0.0000004300000000, 0.0000004800000000, -0.0004828200000000 ] - [ 0.0000005600000000, 0.0000005700000000, 0.0000741300000000 ] - [ 0.0000008400000000, 0.0000002800000000, 0.0000875400000000 ] - [ 0.0000006500000000, 0.0000002700000000, -0.0005487000000000 ] - [ -0.0000004600000000, 0.0000003900000000, -0.0002415800000000 ] - [ -0.0000004600000000, 0.0000003700000000, -0.0004546700000000 ] - [ 0.0107392400000000, -0.0002038500000000, -0.0002166000000000 ] - [ -0.0000003200000000, 0.0000004800000000, -0.0002173200000000 ] - [ 0.0000212700000000, 0.0000005300000000, 0.0002631000000000 ] - [ -0.0000003200000000, 0.0000003900000000, -0.0001407400000000 ] - [ -0.0000002300000000, 0.0000002800000000, 0.0001194000000000 ] - [ 0.0000016100000000, 0.0000002600000000, -0.0001457900000000 ] - [ -0.0000008800000000, 0.0000004700000000, -0.0002645400000000 ] - [ -0.0001894500000000, 0.0000006400000000, -0.0000553000000000 ] - [ -0.0000010200000000, 0.0000002600000000, -0.0002038100000000 ] - [ -0.0000008500000000, 0.0000005600000000, 0.0004806700000000 ] - [ 0.0000001300000000, 0.0000004600000000, -0.0000906200000000 ] - [ -0.0000000500000000, 0.0000002600000000, -0.0001518400000000 ] - [ -0.0000002200000000, 0.0000004800000000, -0.0002486300000000 ] - [ 0.0000000900000000, 0.0000005600000000, 0.0002097300000000 ]- atom: 8 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0000717100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006793700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003875300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006031500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003862100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005048200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004171900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0615762100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004992500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002948300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001464400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008114400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006852200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002858500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009601000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007322800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008083400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001095300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002483300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007547900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004606300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001917200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004513100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005737000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002226600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004508900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000208300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001011300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001308100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002833500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000730700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000048300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000176300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002817600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002622300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000885600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001363500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000736400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001283400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002018600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301514100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001643900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007798700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001987800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000122200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000982500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002553100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002362600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000925300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004318900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005904900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002356500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001656700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005616800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003291200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006824500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001267800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001111600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007490500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004412600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006563200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302221900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004172900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000496500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003419400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000811400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003451900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004648800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000165900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004072300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002788300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002901100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003523300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004480600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000084800000000 ]- atom: 8 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0009748200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001279300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004125700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001947300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004114100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002991200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003880400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0609444900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002997900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005043100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006541300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000061600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001154900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005191100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001581300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000654800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000091800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007917500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005514200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000463900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003413600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006082300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003488500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002235800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005768400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000461800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004251300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003029200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002717300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001214400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004802000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003989100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003886200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001157600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006666900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004898800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005387900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001670100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005322000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001963500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0305653000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002331600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003799600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001991500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004173500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002997100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001480800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001650600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003135800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000274000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001954100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006418300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002369500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001265700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000687500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002849800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002775200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002853800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003510000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000390600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002540200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0303734600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000186300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004796000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000629400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003190900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000521800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000658300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000966100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000018800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006842400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001077300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000473700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000507500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004131600000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000017200000000, 0.0000000700000000, -0.0005238900000000 ] - [ -0.0000009800000000, -0.0000003900000000, 0.0002749800000000 ] - [ 0.0000350200000000, -0.0000002900000000, -0.0000126100000000 ] - [ 0.0000000600000000, 0.0000001300000000, 0.0002036900000000 ] - [ -0.0000016200000000, 0.0000001200000000, -0.0000130800000000 ] - [ -0.0000008300000000, -0.0000004200000000, 0.0001024600000000 ] - [ 0.0000004100000000, -0.0000004100000000, 0.0000143500000000 ] - [ -0.0000005500000000, -0.0000004000000000, -0.0002954900000000 ] - [ -0.0214376900000000, 0.0000000900000000, 0.0001120100000000 ] - [ 0.0000001600000000, 0.0000001100000000, -0.0001052100000000 ] - [ -0.0000008700000000, -0.0000003800000000, -0.0002540600000000 ] - [ 0.0000003300000000, -0.0000004000000000, 0.0004084300000000 ] - [ 0.0000007600000000, -0.0000004100000000, 0.0002844300000000 ] - [ -0.0000003100000000, -0.0000003900000000, -0.0001171200000000 ] - [ 0.0000004500000000, 0.0000001300000000, 0.0005581000000000 ] - [ -0.0000008300000000, 0.0000000900000000, 0.0003327700000000 ] - [ -0.0000015000000000, 0.0000001100000000, 0.0004082000000000 ] - [ -0.0000010700000000, 0.0000000800000000, -0.0003419500000000 ] - [ 0.0000004200000000, 0.0000000700000000, -0.0001520300000000 ] - [ -0.0000007300000000, -0.0000004300000000, 0.0003535800000000 ] - [ 0.0000350200000000, -0.0000001100000000, 0.0000589200000000 ] - [ 0.0000007000000000, -0.0000003800000000, -0.0002089300000000 ] - [ -0.0000008000000000, 0.0000000900000000, 0.0000507700000000 ] - [ 0.0000001700000000, 0.0000001200000000, 0.0001744500000000 ] - [ 0.0000001100000000, 0.0000001000000000, -0.0001775500000000 ] - [ -0.0000014200000000, 0.0000002200000000, -0.0002504200000000 ] - [ 0.0107326500000000, 0.0002043800000000, -0.0000257100000000 ] - [ -0.0000015200000000, 0.0000002200000000, 0.0000993300000000 ] - [ 0.0000001900000000, 0.0000000600000000, 0.0000688600000000 ] - [ -0.0000013000000000, 0.0000002200000000, -0.0000827800000000 ] - [ -0.0001897200000000, -0.0000000200000000, 0.0002758900000000 ] - [ 0.0000208800000000, 0.0000000900000000, 0.0001957800000000 ] - [ -0.0000007000000000, 0.0000000600000000, 0.0001841800000000 ] - [ -0.0000025500000000, 0.0000001000000000, -0.0000826500000000 ] - [ -0.0000008100000000, 0.0000002200000000, 0.0004632700000000 ] - [ -0.0000001200000000, 0.0000000400000000, 0.0002881700000000 ] - [ -0.0000005500000000, 0.0000000500000000, 0.0003365800000000 ] - [ -0.0000007200000000, -0.0000001300000000, -0.0000465900000000 ] - [ -0.0000017600000000, 0.0000002300000000, 0.0003291300000000 ] - [ -0.0000314600000000, 0.0000001800000000, -0.0000023600000000 ] - [ -0.0000010800000000, 0.0000001700000000, -0.0003129300000000 ] - [ -0.0000030000000000, 0.0000001300000000, 0.0000345400000000 ] - [ -0.0000013600000000, -0.0000000900000000, -0.0005791000000000 ] - [ -0.0000005300000000, 0.0000001300000000, 0.0000003800000000 ] - [ -0.0000018900000000, 0.0000002300000000, 0.0002135700000000 ] - [ -0.0000029000000000, 0.0000001100000000, 0.0001008500000000 ] - [ -0.0000016900000000, 0.0000002200000000, -0.0000548200000000 ] - [ -0.0000011800000000, -0.0000000700000000, -0.0000353600000000 ] - [ -0.0000009900000000, 0.0000000600000000, 0.0001090900000000 ] - [ -0.0000001100000000, -0.0000000900000000, -0.0002289800000000 ] - [ -0.0000004900000000, -0.0000000800000000, -0.0003922300000000 ] - [ -0.0000002600000000, 0.0000000600000000, 0.0004377500000000 ] - [ -0.0000012000000000, 0.0000000400000000, 0.0000341100000000 ] - [ -0.0000008100000000, -0.0000001100000000, -0.0003430000000000 ] - [ -0.0000006300000000, -0.0000000700000000, -0.0001298800000000 ] - [ -0.0000010800000000, 0.0000001400000000, -0.0004829800000000 ] - [ -0.0000019700000000, 0.0000002300000000, 0.0000737300000000 ] - [ -0.0000009500000000, -0.0000000500000000, 0.0000873200000000 ] - [ -0.0000019800000000, 0.0000001500000000, -0.0005491600000000 ] - [ -0.0000007200000000, 0.0000000500000000, -0.0002419700000000 ] - [ -0.0000010000000000, 0.0000000300000000, -0.0004548400000000 ] - [ -0.0000008400000000, 0.0000000600000000, 0.0000303800000000 ] - [ -0.0000003900000000, 0.0000001400000000, -0.0002175300000000 ] - [ -0.0000010300000000, 0.0000002300000000, 0.0002627400000000 ] - [ 0.0000006100000000, 0.0000000500000000, -0.0001411500000000 ] - [ -0.0000016200000000, -0.0000000600000000, 0.0001192000000000 ] - [ -0.0000014300000000, -0.0000000800000000, -0.0001459900000000 ] - [ -0.0000015900000000, 0.0000001400000000, -0.0002647100000000 ] - [ -0.0000009500000000, 0.0000002200000000, -0.0000560900000000 ] - [ -0.0000014300000000, -0.0000000800000000, -0.0002040000000000 ] - [ -0.0000004400000000, 0.0000002300000000, 0.0004803400000000 ] - [ -0.0000763500000000, -0.0000005900000000, -0.0000909900000000 ] - [ 0.0109693700000000, -0.0002046100000000, 0.0000952800000000 ] - [ -0.0000024400000000, 0.0000001400000000, -0.0002488100000000 ] - [ -0.0000008200000000, 0.0000002300000000, 0.0002093400000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001205900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006756100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004386000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006059300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003890000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005029100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004148100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001042200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0611967900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002949700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001452800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008089300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006845400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002835400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009618300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007351300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008085300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000584800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002515900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007528200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005103800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001912600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004518000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005759400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002254500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004512800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0304130300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001018900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001311600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002832000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003139400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000171600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000168200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002845900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002627400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000867400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001349300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002473200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001276000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002204100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005118600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001646200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007790300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001966200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000136400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001004400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002563700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002335300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000932400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004265800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005900900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002361300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001680200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005421200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003285300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006839600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001278500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001106200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007477500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004437100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006556800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001695800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004151200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000625700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003404200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000795000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003438800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004642400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002562400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004023100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002799400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000288800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0303106100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004467800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000076300000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0009270200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001252800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004636700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001980700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004148900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002978300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003859800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006953500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0614263700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005053300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006533700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000082200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001156200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005176600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001553000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000698800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000081900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007425000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005551100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000454800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003920000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006090800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003503700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002271600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005804600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000475000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301848800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003015200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002701600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001193800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002336100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004085100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003861000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001181100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006646200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004905400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005389200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001517500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005317000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002139300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001165000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002324800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003814000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001962100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004145900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003012000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001479300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001615700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003120400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000327800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001961100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006398600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002372100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001465400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000673100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002838300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002766200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002841400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003527800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000383200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002552700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002324000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000208900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004649900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000596800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003167600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000510900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000668100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001464300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000067300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006817100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002078100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0304008100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000519500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004119000000000 ]- atom: 10 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000000200000000, 0.0000000600000000, -0.0005237900000000 ] - [ -0.0000007600000000, -0.0000003900000000, 0.0002750600000000 ] - [ 0.0000007100000000, -0.0000003800000000, -0.0000126900000000 ] - [ -0.0000011200000000, 0.0000001200000000, 0.0002037900000000 ] - [ -0.0000008500000000, 0.0000001100000000, -0.0000131200000000 ] - [ -0.0000009100000000, -0.0000004300000000, 0.0001024200000000 ] - [ 0.0000350000000000, -0.0000003100000000, 0.0000144700000000 ] - [ 0.0000007700000000, -0.0000004000000000, -0.0002954000000000 ] - [ 0.0000002200000000, 0.0000000800000000, 0.0000992700000000 ] - [ -0.0214389800000000, 0.0000006100000000, -0.0000969800000000 ] - [ -0.0000008800000000, -0.0000003900000000, -0.0002539700000000 ] - [ -0.0000003000000000, -0.0000004100000000, 0.0004085300000000 ] - [ -0.0000005200000000, -0.0000004200000000, 0.0002845100000000 ] - [ 0.0000004100000000, -0.0000004000000000, -0.0001170300000000 ] - [ 0.0000005100000000, 0.0000001200000000, 0.0005581900000000 ] - [ 0.0000001400000000, 0.0000000900000000, 0.0003328800000000 ] - [ 0.0000004200000000, 0.0000001000000000, 0.0004082600000000 ] - [ 0.0000001200000000, 0.0000000700000000, -0.0003418500000000 ] - [ -0.0000014500000000, 0.0000000600000000, -0.0001519600000000 ] - [ -0.0000007300000000, -0.0000004300000000, 0.0003536800000000 ] - [ 0.0000003700000000, -0.0000004100000000, 0.0000590700000000 ] - [ 0.0000349200000000, -0.0000001000000000, -0.0002090000000000 ] - [ -0.0000015600000000, 0.0000001000000000, 0.0000507300000000 ] - [ -0.0000015900000000, 0.0000001200000000, 0.0001745600000000 ] - [ -0.0000008900000000, 0.0000000800000000, -0.0001774400000000 ] - [ -0.0000015100000000, 0.0000002200000000, -0.0002505000000000 ] - [ -0.0000004300000000, 0.0000002300000000, 0.0002215400000000 ] - [ -0.0000018900000000, 0.0000002300000000, 0.0000993000000000 ] - [ 0.0000208300000000, 0.0000000800000000, 0.0000687800000000 ] - [ -0.0000008100000000, 0.0000002200000000, -0.0000828800000000 ] - [ -0.0000002500000000, 0.0000000500000000, 0.0002753800000000 ] - [ -0.0000005400000000, 0.0000000400000000, 0.0001957500000000 ] - [ -0.0000010800000000, 0.0000000400000000, 0.0001841200000000 ] - [ -0.0000021100000000, 0.0000001000000000, -0.0000824900000000 ] - [ -0.0000010200000000, 0.0000002100000000, 0.0004632100000000 ] - [ -0.0000006900000000, 0.0000000500000000, 0.0002880800000000 ] - [ -0.0000007100000000, 0.0000000400000000, 0.0003364900000000 ] - [ -0.0000005100000000, -0.0000001500000000, -0.0000464700000000 ] - [ -0.0000016800000000, 0.0000002200000000, 0.0003290500000000 ] - [ -0.0000028800000000, 0.0000001200000000, -0.0000022500000000 ] - [ -0.0000015800000000, 0.0000001700000000, -0.0003127600000000 ] - [ -0.0000025000000000, 0.0000001300000000, 0.0000347100000000 ] - [ -0.0000014200000000, -0.0000000900000000, -0.0005789200000000 ] - [ 0.0000001200000000, 0.0000001200000000, 0.0000005400000000 ] - [ -0.0000008000000000, 0.0000002200000000, 0.0002135000000000 ] - [ -0.0000015400000000, 0.0000001200000000, 0.0001010200000000 ] - [ 0.0000003200000000, 0.0000002200000000, -0.0000549500000000 ] - [ -0.0000010600000000, -0.0000000800000000, -0.0000351800000000 ] - [ -0.0000001200000000, 0.0000000400000000, 0.0001090700000000 ] - [ 0.0109685000000000, -0.0002046300000000, 0.0000185500000000 ] - [ -0.0000014200000000, -0.0000001000000000, -0.0003920700000000 ] - [ -0.0000006400000000, 0.0000000400000000, 0.0004376800000000 ] - [ -0.0001891500000000, -0.0000000200000000, 0.0000345900000000 ] - [ -0.0000001000000000, -0.0000001100000000, -0.0003428400000000 ] - [ -0.0000009400000000, -0.0000000800000000, -0.0001297000000000 ] - [ -0.0000003800000000, 0.0000001500000000, -0.0004828100000000 ] - [ 0.0107318900000000, 0.0002043700000000, -0.0001736600000000 ] - [ -0.0000006600000000, -0.0000000600000000, 0.0000874700000000 ] - [ -0.0000024000000000, 0.0000001400000000, -0.0005490000000000 ] - [ -0.0000011900000000, 0.0000000400000000, -0.0002420400000000 ] - [ -0.0000006200000000, 0.0000000100000000, -0.0004546100000000 ] - [ 0.0000002000000000, 0.0000000500000000, 0.0000302800000000 ] - [ -0.0000029800000000, 0.0000001300000000, -0.0002172900000000 ] - [ -0.0000013000000000, 0.0000002200000000, 0.0002627400000000 ] - [ -0.0000009800000000, 0.0000000400000000, -0.0001412300000000 ] - [ -0.0000005900000000, -0.0000000700000000, 0.0001193700000000 ] - [ -0.0000011600000000, -0.0000000800000000, -0.0001457700000000 ] - [ -0.0000762000000000, -0.0000005900000000, -0.0002646900000000 ] - [ -0.0000019500000000, 0.0000002100000000, -0.0000561600000000 ] - [ -0.0000006300000000, -0.0000000900000000, -0.0002037600000000 ] - [ -0.0000011300000000, 0.0000002200000000, 0.0004802600000000 ] - [ -0.0000005300000000, 0.0000001200000000, -0.0000905900000000 ] - [ -0.0000016200000000, -0.0000000800000000, -0.0001518200000000 ] - [ -0.0000314500000000, 0.0000001800000000, -0.0002485200000000 ] - [ -0.0000017500000000, 0.0000002200000000, 0.0002093200000000 ]- atom: 10 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001208700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006738600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003867900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006041800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003882500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005023800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004650000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001037100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004989600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0613608700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001458200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008086500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006839300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002827200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009614500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007354900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008107500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000593500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002475100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007523300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004588500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002416700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004518200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005752700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002251700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004524900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000204200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001013400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001451700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002853900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000731000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000066000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000189200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002807100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002590200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000856700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001335100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002447500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001255700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002043100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005125100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001675100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007779000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001974700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000120500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000979400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002554900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002339600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000928300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302347200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005903500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002347500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000711300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005411100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003281400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006808100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302651500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001108600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007477000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004449900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006550500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001705300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004176700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000614300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003444700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000788800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003447500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001456600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002585400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004032600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002779200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002882200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003513700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004662200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000072600000000 ]- atom: 10 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0009267300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001237600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004122400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001961600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004141300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002972700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004359000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006949000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003001000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0611824400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006537200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000084500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001150300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005167700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001554900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000694100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000056700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007433200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005514600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000449500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003405900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006593900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003506400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002264600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005796900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000471600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004240300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003014800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002827600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001208800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004785200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003992200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003873800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001149500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006676900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004910500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005397000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001502200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005331100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001981900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001150400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002358500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003815600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001976600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004158500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002992800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001464500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001625600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003124900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0304794700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001951900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006406200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000052200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001466000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000672200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002859600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0303327100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002850700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003519000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000380200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002554400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002325000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000190900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004651700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000627100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003167500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000511100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003815100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001477300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000063800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006830400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001052200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000458700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000335000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004129900000000 ]- atom: 11 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000007600000000, 0.0000005600000000, -0.0005235900000000 ] - [ 0.0000010100000000, 0.0000001000000000, 0.0002753400000000 ] - [ 0.0000024300000000, 0.0000001100000000, -0.0000124100000000 ] - [ -0.0000003600000000, 0.0000006100000000, 0.0002040300000000 ] - [ 0.0000007400000000, 0.0000006100000000, -0.0000128000000000 ] - [ 0.0000022800000000, 0.0000000700000000, 0.0001027300000000 ] - [ 0.0000005300000000, 0.0000000900000000, 0.0000146500000000 ] - [ 0.0000006400000000, 0.0000000900000000, -0.0002952100000000 ] - [ -0.0000002800000000, 0.0000005800000000, 0.0000995600000000 ] - [ -0.0000005600000000, 0.0000006100000000, -0.0001049100000000 ] - [ -0.0215347400000000, -0.0000379200000000, -0.0002643100000000 ] - [ 0.0000004800000000, 0.0000000900000000, 0.0004087900000000 ] - [ 0.0000025300000000, 0.0000000700000000, 0.0002847500000000 ] - [ 0.0000012800000000, 0.0000000900000000, -0.0001168100000000 ] - [ -0.0000012500000000, 0.0000006200000000, 0.0005584100000000 ] - [ 0.0000001500000000, 0.0000005700000000, 0.0003331600000000 ] - [ -0.0000001400000000, 0.0000006000000000, 0.0004085400000000 ] - [ -0.0000004400000000, 0.0000005700000000, -0.0003416500000000 ] - [ 0.0000354500000000, 0.0000002700000000, -0.0001519500000000 ] - [ 0.0000025200000000, 0.0000000500000000, 0.0003539100000000 ] - [ 0.0000022800000000, 0.0000000800000000, 0.0000593600000000 ] - [ 0.0000013200000000, 0.0000001000000000, -0.0002086300000000 ] - [ 0.0000011600000000, 0.0000005900000000, 0.0000510400000000 ] - [ 0.0000001100000000, 0.0000006100000000, 0.0001747900000000 ] - [ 0.0000354500000000, 0.0000004800000000, -0.0001770800000000 ] - [ 0.0000218200000000, 0.0000006800000000, -0.0002500300000000 ] - [ 0.0000002500000000, 0.0000007100000000, 0.0002219500000000 ] - [ 0.0000004000000000, 0.0000007200000000, 0.0000996900000000 ] - [ -0.0000003300000000, 0.0000005400000000, 0.0000692200000000 ] - [ -0.0001885700000000, 0.0000007800000000, -0.0000819700000000 ] - [ -0.0000001200000000, 0.0000005400000000, 0.0002757800000000 ] - [ 0.0000007600000000, 0.0000005400000000, 0.0001961400000000 ] - [ 0.0000014600000000, 0.0000005300000000, 0.0001845200000000 ] - [ 0.0000006400000000, 0.0000005900000000, -0.0000823700000000 ] - [ -0.0000000400000000, 0.0000007100000000, 0.0004636200000000 ] - [ 0.0000004300000000, 0.0000005300000000, 0.0002884800000000 ] - [ 0.0000005400000000, 0.0000005400000000, 0.0003369100000000 ] - [ -0.0000008300000000, 0.0000003500000000, -0.0000463100000000 ] - [ 0.0000003100000000, 0.0000007200000000, 0.0003294600000000 ] - [ -0.0000001800000000, 0.0000006200000000, -0.0000021800000000 ] - [ -0.0000005200000000, 0.0000006600000000, -0.0003126800000000 ] - [ 0.0000002700000000, 0.0000006200000000, 0.0000347900000000 ] - [ -0.0000747900000000, 0.0000011400000000, -0.0005790000000000 ] - [ 0.0000002000000000, 0.0000006200000000, 0.0000006300000000 ] - [ 0.0000002400000000, 0.0000007100000000, 0.0002139100000000 ] - [ 0.0000001800000000, 0.0000006100000000, 0.0001011000000000 ] - [ -0.0000007100000000, 0.0000007200000000, -0.0000544500000000 ] - [ 0.0000000900000000, 0.0000004200000000, -0.0000351000000000 ] - [ 0.0000011300000000, 0.0000005300000000, 0.0001094600000000 ] - [ -0.0000013600000000, 0.0000004000000000, -0.0002287100000000 ] - [ -0.0000298700000000, 0.0000003400000000, -0.0003919200000000 ] - [ 0.0000018900000000, 0.0000005400000000, 0.0004380900000000 ] - [ -0.0000001900000000, 0.0000005400000000, 0.0000344800000000 ] - [ 0.0000012600000000, 0.0000003900000000, -0.0003427400000000 ] - [ 0.0000017600000000, 0.0000004100000000, -0.0001296300000000 ] - [ 0.0109734500000000, 0.0002052200000000, -0.0002353500000000 ] - [ 0.0000008200000000, 0.0000007200000000, 0.0000741000000000 ] - [ 0.0000003000000000, 0.0000004400000000, 0.0000875800000000 ] - [ -0.0000005200000000, 0.0000006400000000, -0.0005488800000000 ] - [ 0.0000007500000000, 0.0000005400000000, -0.0002415900000000 ] - [ -0.0000000500000000, 0.0000005100000000, -0.0004545900000000 ] - [ 0.0000000400000000, 0.0000005400000000, 0.0000307600000000 ] - [ -0.0000007500000000, 0.0000006200000000, -0.0002172400000000 ] - [ -0.0000002500000000, 0.0000007200000000, 0.0002630700000000 ] - [ 0.0107378300000000, -0.0002036700000000, -0.0003881200000000 ] - [ -0.0000004500000000, 0.0000004200000000, 0.0001194600000000 ] - [ -0.0000012600000000, 0.0000004200000000, -0.0001457000000000 ] - [ 0.0000002500000000, 0.0000006200000000, -0.0002644600000000 ] - [ -0.0000000300000000, 0.0000007000000000, -0.0000557100000000 ] - [ 0.0000011100000000, 0.0000004100000000, -0.0002037100000000 ] - [ -0.0000001400000000, 0.0000007100000000, 0.0004806700000000 ] - [ -0.0000000800000000, 0.0000006200000000, -0.0000905400000000 ] - [ -0.0000008800000000, 0.0000004100000000, -0.0001517700000000 ] - [ -0.0000002900000000, 0.0000006200000000, -0.0002485400000000 ] - [ 0.0000007000000000, 0.0000007100000000, 0.0002097100000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001215800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006754900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003920400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006037600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003878100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005036100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004169500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001058700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004992100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002957200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0615711100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008108000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006889000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002852600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009577900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007341800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008090100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000588700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002997500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007567100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004617000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001921900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004514700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005751300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002743600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004615000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000211700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001014600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001303000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000448500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000738300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000041000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000154800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002813400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002630300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000876900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001344400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002448800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001285400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002014400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005123800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001640600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004601700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001983500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000127200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000976800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002548500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002349500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000907100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004286900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006093700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002385900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001667800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005419200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003283400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0299815500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001268000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001131600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007478000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004425500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006571200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001697300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004166400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000613900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0300529900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000794500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003478800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004640100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002568200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004014100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002793000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002891200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003544500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004473500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000087600000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0009259100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001249200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004172200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001957700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004135000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002985700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003874600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006969300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003001400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005057700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0610661700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000067200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001197600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005181900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001594900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000678000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000080900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007422900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006032000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000486400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003429000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006097400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003493800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002255800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006284300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000361100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004237500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003020300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002702200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001237700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004784400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003971200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003855200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001148200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006651200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004898800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005399900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001494100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005311700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001955200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001162700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002323100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006988500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001982100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004159700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002984900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001473500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001632200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003105300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000306500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001765700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006381100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002368100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001470600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000674000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0307344500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002764300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002866500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003528600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000385500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002539600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002335600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000194700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004669200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0305480600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003168900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000546300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000672400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001481400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000078000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006828800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001064700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000492200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000516200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004117100000000 ]- atom: 12 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000014400000000, 0.0000005500000000, -0.0005238400000000 ] - [ 0.0000012400000000, 0.0000000900000000, 0.0002750600000000 ] - [ 0.0000004300000000, 0.0000001100000000, -0.0000126900000000 ] - [ 0.0000354000000000, 0.0000005200000000, 0.0002039500000000 ] - [ -0.0000005000000000, 0.0000005900000000, -0.0000131000000000 ] - [ 0.0000022100000000, 0.0000000700000000, 0.0001024700000000 ] - [ 0.0000024400000000, 0.0000000700000000, 0.0000143600000000 ] - [ 0.0000024700000000, 0.0000000900000000, -0.0002954300000000 ] - [ 0.0000008000000000, 0.0000005700000000, 0.0000992800000000 ] - [ 0.0000000300000000, 0.0000006000000000, -0.0001052000000000 ] - [ 0.0000004100000000, 0.0000001100000000, -0.0002540400000000 ] - [ -0.0215270400000000, -0.0000373400000000, 0.0004177100000000 ] - [ 0.0000012400000000, 0.0000000700000000, 0.0002844800000000 ] - [ 0.0000024700000000, 0.0000000900000000, -0.0001170800000000 ] - [ 0.0000007700000000, 0.0000006100000000, 0.0005581600000000 ] - [ -0.0000004700000000, 0.0000005800000000, 0.0003328700000000 ] - [ 0.0000353300000000, 0.0000003000000000, 0.0004080800000000 ] - [ -0.0000000600000000, 0.0000005600000000, -0.0003418900000000 ] - [ -0.0000003600000000, 0.0000005500000000, -0.0001520100000000 ] - [ 0.0000005700000000, 0.0000000500000000, 0.0003536700000000 ] - [ 0.0000022400000000, 0.0000000700000000, 0.0000590800000000 ] - [ 0.0000009600000000, 0.0000001000000000, -0.0002089100000000 ] - [ 0.0000010900000000, 0.0000005800000000, 0.0000507400000000 ] - [ -0.0000005800000000, 0.0000006100000000, 0.0001745500000000 ] - [ -0.0000002200000000, 0.0000005700000000, -0.0001775300000000 ] - [ -0.0000004800000000, 0.0000007100000000, -0.0002503000000000 ] - [ -0.0000003000000000, 0.0000007200000000, 0.0002216900000000 ] - [ 0.0000015100000000, 0.0000007000000000, 0.0000994400000000 ] - [ 0.0000005600000000, 0.0000005400000000, 0.0000689800000000 ] - [ 0.0000000600000000, 0.0000007000000000, -0.0000826700000000 ] - [ 0.0000000100000000, 0.0000005300000000, 0.0002755200000000 ] - [ -0.0000004500000000, 0.0000005300000000, 0.0001958800000000 ] - [ -0.0000002300000000, 0.0000005400000000, 0.0001842400000000 ] - [ -0.0000003700000000, 0.0000005800000000, -0.0000826500000000 ] - [ 0.0000007800000000, 0.0000007100000000, 0.0004633200000000 ] - [ 0.0000007000000000, 0.0000005300000000, 0.0002882200000000 ] - [ 0.0107309900000000, -0.0002035800000000, 0.0000893100000000 ] - [ 0.0000018700000000, 0.0000003400000000, -0.0000466000000000 ] - [ 0.0000217500000000, 0.0000006700000000, 0.0003292000000000 ] - [ -0.0000005900000000, 0.0000006100000000, -0.0000024400000000 ] - [ 0.0000010700000000, 0.0000006600000000, -0.0003129700000000 ] - [ -0.0000006000000000, 0.0000006200000000, 0.0000345500000000 ] - [ 0.0000001900000000, 0.0000003900000000, -0.0005791200000000 ] - [ 0.0109708900000000, 0.0002051600000000, 0.0002477200000000 ] - [ -0.0000000800000000, 0.0000007000000000, 0.0002136400000000 ] - [ 0.0000007100000000, 0.0000003900000000, 0.0001011600000000 ] - [ 0.0000003600000000, 0.0000007100000000, -0.0000547400000000 ] - [ -0.0000747000000000, 0.0000011500000000, -0.0000354800000000 ] - [ 0.0000002200000000, 0.0000005300000000, 0.0001092000000000 ] - [ -0.0000004100000000, 0.0000004000000000, -0.0002289800000000 ] - [ 0.0000004900000000, 0.0000004000000000, -0.0003922500000000 ] - [ -0.0000003700000000, 0.0000005300000000, 0.0004377900000000 ] - [ 0.0000001100000000, 0.0000005400000000, 0.0000342200000000 ] - [ -0.0000014700000000, 0.0000003800000000, -0.0003430300000000 ] - [ 0.0000012100000000, 0.0000004100000000, -0.0001298900000000 ] - [ 0.0000001500000000, 0.0000006200000000, -0.0004829900000000 ] - [ 0.0000001800000000, 0.0000007200000000, 0.0000738500000000 ] - [ -0.0000014100000000, 0.0000004200000000, 0.0000873300000000 ] - [ 0.0000015000000000, 0.0000006300000000, -0.0005491900000000 ] - [ 0.0000005000000000, 0.0000005300000000, -0.0002418700000000 ] - [ 0.0000011300000000, 0.0000005100000000, -0.0004548600000000 ] - [ 0.0000009500000000, 0.0000005300000000, 0.0000304900000000 ] - [ 0.0000003500000000, 0.0000006200000000, -0.0002175000000000 ] - [ 0.0000007700000000, 0.0000007000000000, 0.0002628300000000 ] - [ 0.0000004900000000, 0.0000005300000000, -0.0001410300000000 ] - [ -0.0000298700000000, 0.0000003600000000, 0.0001192600000000 ] - [ -0.0000000100000000, 0.0000004200000000, -0.0001459700000000 ] - [ 0.0000000400000000, 0.0000006200000000, -0.0002647100000000 ] - [ 0.0000003900000000, 0.0000007000000000, -0.0000559800000000 ] - [ 0.0000004900000000, 0.0000004000000000, -0.0002039900000000 ] - [ -0.0001888700000000, 0.0000007800000000, 0.0004808000000000 ] - [ 0.0000007300000000, 0.0000006200000000, -0.0000908000000000 ] - [ -0.0000008600000000, 0.0000004000000000, -0.0001520200000000 ] - [ -0.0000005300000000, 0.0000006200000000, -0.0002488100000000 ] - [ 0.0000010900000000, 0.0000007000000000, 0.0002094500000000 ]- atom: 12 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001224200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006764800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003899900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006557300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003869000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005056500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004187100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001083000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005002300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002960900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001483700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0609130400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006868100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002869400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009585900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007338500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008600100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000586700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002479500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007545300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004598300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001918100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004515200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005753600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002231000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004515800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000202700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000996000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001315600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002828500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000748800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000053300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000168900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002810900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002624700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000872000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0305280500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002437400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001176600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002014100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005109400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001639100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007786600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0304630500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000122800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000980900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002546700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000822800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000911100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004273300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005908300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002383400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001668200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005438200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003282900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006831900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001279200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001119500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007464800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004423600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006546600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001700000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004154400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000630900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003417600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000985700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003458000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004632900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002554700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004050100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005185700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002886900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003504300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004484900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000099300000000 ]- atom: 12 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0009252400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001258800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004146900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002471600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004123200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003003300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003890100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006986200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003010000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005058300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006555800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0617388400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001180400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005205200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001583200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000672800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000427000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007418500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005513000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000462700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003409800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006093700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003493400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002257000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005775100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000470000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004247000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003002000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002712100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001194500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004774100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003984000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003866000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001144300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006657000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004904400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0300695800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001491000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005418800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001950800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001170000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002319100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003815200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0302482800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004164700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002982700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001472300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001517700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003110000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000323700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001955000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006386100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002368300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001442800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000669300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002845100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002775000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002853200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003536800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000397500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002568100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002327100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000211000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004640400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000613800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003357200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000520900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000678600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001455900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000047100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004384700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001056200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000449400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000508000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004106200000000 ]- atom: 13 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000016500000000, 0.0000005600000000, -0.0005235900000000 ] - [ 0.0000005000000000, 0.0000001100000000, 0.0002753100000000 ] - [ 0.0000022200000000, 0.0000001100000000, -0.0000124500000000 ] - [ 0.0000354000000000, 0.0000003300000000, 0.0002038200000000 ] - [ 0.0000000600000000, 0.0000006100000000, -0.0000128400000000 ] - [ 0.0000025400000000, 0.0000000700000000, 0.0001027200000000 ] - [ 0.0000009700000000, 0.0000001000000000, 0.0000145900000000 ] - [ 0.0000021900000000, 0.0000001000000000, -0.0002951800000000 ] - [ 0.0000011500000000, 0.0000005800000000, 0.0000995300000000 ] - [ -0.0000002200000000, 0.0000006100000000, -0.0001049400000000 ] - [ 0.0000024600000000, 0.0000001200000000, -0.0002537900000000 ] - [ 0.0000012200000000, 0.0000000900000000, 0.0004087400000000 ] - [ -0.0215324300000000, -0.0000384500000000, 0.0002754100000000 ] - [ 0.0000024400000000, 0.0000001100000000, -0.0001168200000000 ] - [ -0.0000004900000000, 0.0000006300000000, 0.0005584200000000 ] - [ 0.0000008300000000, 0.0000005800000000, 0.0003331200000000 ] - [ -0.0000004700000000, 0.0000006100000000, 0.0004085100000000 ] - [ -0.0000013500000000, 0.0000005800000000, -0.0003416300000000 ] - [ 0.0000000000000000, 0.0000005700000000, -0.0001517600000000 ] - [ 0.0000011800000000, 0.0000000700000000, 0.0003539000000000 ] - [ 0.0000021900000000, 0.0000001000000000, 0.0000593400000000 ] - [ 0.0000005000000000, 0.0000001100000000, -0.0002086500000000 ] - [ -0.0000004300000000, 0.0000006000000000, 0.0000509900000000 ] - [ 0.0000355200000000, 0.0000005200000000, 0.0001749400000000 ] - [ -0.0000003500000000, 0.0000005800000000, -0.0001772800000000 ] - [ 0.0000004100000000, 0.0000007200000000, -0.0002500400000000 ] - [ 0.0000011200000000, 0.0000007200000000, 0.0002219400000000 ] - [ 0.0000002100000000, 0.0000007300000000, 0.0000997100000000 ] - [ 0.0000005200000000, 0.0000005500000000, 0.0000692300000000 ] - [ -0.0000004400000000, 0.0000007200000000, -0.0000824000000000 ] - [ -0.0000004200000000, 0.0000005500000000, 0.0002757600000000 ] - [ 0.0000002500000000, 0.0000005500000000, 0.0001961400000000 ] - [ -0.0000003400000000, 0.0000005400000000, 0.0001844800000000 ] - [ 0.0000007300000000, 0.0000003900000000, -0.0000820900000000 ] - [ -0.0001892900000000, 0.0000008000000000, 0.0004639700000000 ] - [ 0.0000000400000000, 0.0000005400000000, 0.0002884800000000 ] - [ 0.0000007200000000, 0.0000005500000000, 0.0003368800000000 ] - [ 0.0000003800000000, 0.0000003500000000, -0.0000464000000000 ] - [ -0.0000000500000000, 0.0000007200000000, 0.0003294400000000 ] - [ 0.0000007700000000, 0.0000006300000000, -0.0000021900000000 ] - [ -0.0000002900000000, 0.0000006600000000, -0.0003127500000000 ] - [ -0.0000005600000000, 0.0000006300000000, 0.0000347800000000 ] - [ -0.0000014400000000, 0.0000004100000000, -0.0005788800000000 ] - [ -0.0000005700000000, 0.0000006300000000, 0.0000006300000000 ] - [ -0.0000002600000000, 0.0000007300000000, 0.0002138900000000 ] - [ 0.0109757800000000, 0.0002052300000000, 0.0003484800000000 ] - [ 0.0000008100000000, 0.0000007300000000, -0.0000544900000000 ] - [ 0.0000012200000000, 0.0000004300000000, -0.0000351200000000 ] - [ 0.0000001400000000, 0.0000005500000000, 0.0001094500000000 ] - [ 0.0000005100000000, 0.0000004100000000, -0.0002287400000000 ] - [ 0.0000002100000000, 0.0000004100000000, -0.0003920300000000 ] - [ 0.0107312000000000, -0.0002035700000000, 0.0001907500000000 ] - [ 0.0000006000000000, 0.0000005500000000, 0.0000344800000000 ] - [ 0.0000019400000000, 0.0000003900000000, -0.0003428100000000 ] - [ -0.0000008100000000, 0.0000004200000000, -0.0001296400000000 ] - [ 0.0000015300000000, 0.0000006500000000, -0.0004827600000000 ] - [ 0.0000000900000000, 0.0000007200000000, 0.0000741100000000 ] - [ -0.0000299100000000, 0.0000003800000000, 0.0000876000000000 ] - [ 0.0000011000000000, 0.0000006500000000, -0.0005489700000000 ] - [ 0.0000009800000000, 0.0000005500000000, -0.0002415900000000 ] - [ -0.0000013100000000, 0.0000005200000000, -0.0004546200000000 ] - [ 0.0000007000000000, 0.0000005500000000, 0.0000307600000000 ] - [ -0.0000004900000000, 0.0000006300000000, -0.0002172700000000 ] - [ -0.0000005000000000, 0.0000007300000000, 0.0002631200000000 ] - [ 0.0000005300000000, 0.0000005400000000, -0.0001407600000000 ] - [ -0.0000747200000000, 0.0000011700000000, 0.0001192800000000 ] - [ 0.0000005200000000, 0.0000004200000000, -0.0001457400000000 ] - [ 0.0000001800000000, 0.0000006200000000, -0.0002644900000000 ] - [ 0.0000008100000000, 0.0000007200000000, -0.0000557100000000 ] - [ -0.0000003800000000, 0.0000004200000000, -0.0002037500000000 ] - [ 0.0000218200000000, 0.0000006800000000, 0.0004806600000000 ] - [ 0.0000003800000000, 0.0000006300000000, -0.0000905600000000 ] - [ 0.0000000200000000, 0.0000004200000000, -0.0001517800000000 ] - [ 0.0000000600000000, 0.0000006400000000, -0.0002485700000000 ] - [ 0.0000015500000000, 0.0000007200000000, 0.0002097100000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001227400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006770000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003878400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006554300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003880300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005055600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004159600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001059000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004998700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002953000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001501200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008109800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0610276600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002868100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009585400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007337700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008090200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000578800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002484400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007571800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004627400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001925100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004505600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006263100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002222600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004501700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000218000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001026900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001320500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002842900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000739700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000048400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000155200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002814600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005019500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000872400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001353000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002455700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001274300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002002500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005126900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001641900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007798500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001981000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000118500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0305642100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002549800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002333700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000921900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004274100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005916200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0306278600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001666800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005404600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003283100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006801200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001267100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001304700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007469200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004428200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006567100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001704400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004170500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000617100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003418000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002372800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003468800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004648800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002557700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004022300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002686200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002885500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003516100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004472200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000100800000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0009243600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001252600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004123800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002465500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004128000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002993300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003862800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006953400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005043800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006574000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000070200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0615568100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005194000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001590500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000665100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000089100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007404300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005511500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000486200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003430500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006086300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003477300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002756700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005760000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000475400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004240200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003042500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002726300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001218300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004791600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003988100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003859800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001152400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004225000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004912400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005401500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001518300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005331700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001944300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001148200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002325200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003799300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001980200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004176900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301487900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001485900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001616600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003129300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000319000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001942500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0299659600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002376300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001472300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000676500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002871100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002771100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003039000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003527900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000384200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002544100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002340600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000190700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004660000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000623100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000027900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000537000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000659100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001467800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000070500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006940900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001059600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000463600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000516400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004113400000000 ]- atom: 14 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000005000000000, 0.0000005700000000, -0.0005238700000000 ] - [ 0.0000004700000000, 0.0000001100000000, 0.0002750600000000 ] - [ 0.0000009800000000, 0.0000001100000000, -0.0000126700000000 ] - [ 0.0000000800000000, 0.0000006200000000, 0.0002037500000000 ] - [ 0.0000011200000000, 0.0000006000000000, -0.0000130700000000 ] - [ 0.0000022400000000, 0.0000000800000000, 0.0001024600000000 ] - [ 0.0000022800000000, 0.0000000800000000, 0.0000143600000000 ] - [ 0.0000012400000000, 0.0000001000000000, -0.0002954400000000 ] - [ 0.0000001500000000, 0.0000005800000000, 0.0000992900000000 ] - [ 0.0000007300000000, 0.0000006100000000, -0.0001051900000000 ] - [ 0.0000012600000000, 0.0000001100000000, -0.0002540100000000 ] - [ 0.0000025100000000, 0.0000000800000000, 0.0004085100000000 ] - [ 0.0000024800000000, 0.0000000800000000, 0.0002844800000000 ] - [ -0.0215393500000000, -0.0000383500000000, -0.0001069600000000 ] - [ -0.0000014700000000, 0.0000006200000000, 0.0005581300000000 ] - [ -0.0000001100000000, 0.0000005800000000, 0.0003328900000000 ] - [ -0.0000003400000000, 0.0000006000000000, 0.0004082700000000 ] - [ 0.0000354400000000, 0.0000002800000000, -0.0003420800000000 ] - [ 0.0000354700000000, 0.0000004700000000, -0.0001518300000000 ] - [ 0.0000021500000000, 0.0000000600000000, 0.0003536300000000 ] - [ 0.0000025100000000, 0.0000000900000000, 0.0000590800000000 ] - [ 0.0000005000000000, 0.0000001100000000, -0.0002089000000000 ] - [ -0.0000003200000000, 0.0000005900000000, 0.0000507600000000 ] - [ -0.0000013200000000, 0.0000006100000000, 0.0001745100000000 ] - [ -0.0000005300000000, 0.0000005900000000, -0.0001775100000000 ] - [ -0.0001886300000000, 0.0000007900000000, -0.0002498800000000 ] - [ 0.0000002300000000, 0.0000007200000000, 0.0002216800000000 ] - [ 0.0000006900000000, 0.0000007100000000, 0.0000994200000000 ] - [ -0.0000001900000000, 0.0000005500000000, 0.0000689600000000 ] - [ 0.0000008200000000, 0.0000007200000000, -0.0000827000000000 ] - [ 0.0000004200000000, 0.0000005400000000, 0.0002755000000000 ] - [ -0.0000001200000000, 0.0000005400000000, 0.0001958700000000 ] - [ 0.0000000600000000, 0.0000005500000000, 0.0001842500000000 ] - [ 0.0000003500000000, 0.0000005900000000, -0.0000826300000000 ] - [ -0.0000007100000000, 0.0000007200000000, 0.0004633500000000 ] - [ 0.0000005300000000, 0.0000005500000000, 0.0002882200000000 ] - [ 0.0000018800000000, 0.0000005400000000, 0.0003366300000000 ] - [ 0.0000012100000000, 0.0000003600000000, -0.0000465800000000 ] - [ -0.0000001400000000, 0.0000007200000000, 0.0003291800000000 ] - [ 0.0000002700000000, 0.0000006200000000, -0.0000024400000000 ] - [ -0.0000005300000000, 0.0000006700000000, -0.0003129400000000 ] - [ 0.0000001900000000, 0.0000006200000000, 0.0000345300000000 ] - [ -0.0000298900000000, 0.0000003500000000, -0.0005790600000000 ] - [ 0.0000001800000000, 0.0000006300000000, 0.0000003700000000 ] - [ 0.0000003000000000, 0.0000007200000000, 0.0002136400000000 ] - [ 0.0000006500000000, 0.0000006200000000, 0.0001008400000000 ] - [ -0.0000002700000000, 0.0000007100000000, -0.0000547200000000 ] - [ -0.0000004700000000, 0.0000004200000000, -0.0000353600000000 ] - [ 0.0000007500000000, 0.0000005400000000, 0.0001091800000000 ] - [ 0.0000010900000000, 0.0000004100000000, -0.0002289700000000 ] - [ -0.0000013500000000, 0.0000004100000000, -0.0003922400000000 ] - [ 0.0000014500000000, 0.0000005400000000, 0.0004378200000000 ] - [ 0.0000011300000000, 0.0000005400000000, 0.0000342100000000 ] - [ -0.0000748000000000, 0.0000011300000000, -0.0003432100000000 ] - [ 0.0000001000000000, 0.0000004200000000, -0.0001298900000000 ] - [ 0.0000002500000000, 0.0000006300000000, -0.0004829900000000 ] - [ 0.0000004000000000, 0.0000007200000000, 0.0000738200000000 ] - [ -0.0000001000000000, 0.0000004400000000, 0.0000873300000000 ] - [ 0.0109738300000000, 0.0002052200000000, -0.0003018100000000 ] - [ 0.0107402500000000, -0.0002037000000000, -0.0004893000000000 ] - [ 0.0000010400000000, 0.0000005200000000, -0.0004548500000000 ] - [ 0.0000012700000000, 0.0000007500000000, 0.0000301700000000 ] - [ -0.0000000800000000, 0.0000006300000000, -0.0002175100000000 ] - [ -0.0000000500000000, 0.0000007100000000, 0.0002628200000000 ] - [ -0.0000003300000000, 0.0000005300000000, -0.0001410700000000 ] - [ 0.0000002900000000, 0.0000004300000000, 0.0001192000000000 ] - [ -0.0000008800000000, 0.0000004200000000, -0.0001459800000000 ] - [ -0.0000002900000000, 0.0000006200000000, -0.0002647200000000 ] - [ 0.0000218500000000, 0.0000006800000000, -0.0000559800000000 ] - [ -0.0000012600000000, 0.0000004100000000, -0.0002039800000000 ] - [ -0.0000000500000000, 0.0000007200000000, 0.0004804000000000 ] - [ -0.0000001900000000, 0.0000006200000000, -0.0000908000000000 ] - [ 0.0000017400000000, 0.0000004100000000, -0.0001520300000000 ] - [ -0.0000007600000000, 0.0000006300000000, -0.0002488000000000 ] - [ 0.0000002400000000, 0.0000007100000000, 0.0002094400000000 ]- atom: 14 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001224900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006761700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003876700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006035800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003868100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005051400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004141600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001077100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004996100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002948300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001471900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008118100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006875200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0613751500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009567800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007328000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008074800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001089700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002990600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007546200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004619000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001927100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004498500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005736800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002225000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002132000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000199800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001021200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001328600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002841600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000741500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000067000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000182900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002821900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002613700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000851600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001364900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002453700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001272200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002018700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005125300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001650100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007970000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001988700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000121000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000986100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002552600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002348800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000915900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004270600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005929000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002371700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001665600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002249800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003302900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006829700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001279500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001132500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0299143100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0299516800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006564400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001710100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004166200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000607100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003412700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000819900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003492300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004640400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002679700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004067000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002791200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002905900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003512500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004487800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000080400000000 ]- atom: 14 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0009257900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001266300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004128800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001962200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004130000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003003700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003855600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006983300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003012000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005054100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006551600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000052400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001186500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0611876500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001600300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000669900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000090300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007926400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006026600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000478900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003442100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006107800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003483900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002246800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005778100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002908100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004243700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003021000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002719800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001204600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004774900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003992000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003876800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001152100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006662000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004918900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005373000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001493700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005318700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001954100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001161700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002327000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003638400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001982000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004159900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002989000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001468200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001626900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003108800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000328300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001937500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006389000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002360000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004629500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000687800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002855300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002769400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002862400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0308010200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0306487600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002547000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002338400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000201500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004670800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000608200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003187900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000554300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000675000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001584700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000032300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006824900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001073700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000454200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000506500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004119000000000 ]- atom: 15 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000960700000000, -0.0000000700000000, -0.0005233300000000 ] - [ 0.0000006400000000, -0.0000003800000000, 0.0002750700000000 ] - [ -0.0000009200000000, -0.0000003800000000, -0.0000126900000000 ] - [ -0.0000016500000000, 0.0000001300000000, 0.0002037900000000 ] - [ -0.0000016800000000, 0.0000001200000000, -0.0000131300000000 ] - [ -0.0000006200000000, -0.0000004200000000, 0.0001024400000000 ] - [ -0.0000008000000000, -0.0000004000000000, 0.0000143100000000 ] - [ -0.0000018100000000, -0.0000004000000000, -0.0002955200000000 ] - [ 0.0000003700000000, 0.0000000800000000, 0.0000992900000000 ] - [ 0.0000003700000000, 0.0000001100000000, -0.0001052300000000 ] - [ -0.0000018300000000, -0.0000003800000000, -0.0002540900000000 ] - [ 0.0000003400000000, -0.0000004000000000, 0.0004085200000000 ] - [ -0.0000008800000000, -0.0000004300000000, 0.0002845100000000 ] - [ -0.0000020500000000, -0.0000003800000000, -0.0001171500000000 ] - [ -0.0214488300000000, 0.0000007700000000, 0.0005701100000000 ] - [ 0.0000000700000000, 0.0000000900000000, 0.0003328800000000 ] - [ 0.0000001300000000, 0.0000001000000000, 0.0004082800000000 ] - [ -0.0000009200000000, 0.0000000800000000, -0.0003419900000000 ] - [ -0.0000000200000000, 0.0000000700000000, -0.0001520600000000 ] - [ 0.0000351700000000, -0.0000001400000000, 0.0003535600000000 ] - [ -0.0000003500000000, -0.0000004000000000, 0.0000590700000000 ] - [ -0.0000005000000000, -0.0000003800000000, -0.0002089500000000 ] - [ -0.0000011200000000, 0.0000001000000000, 0.0000507100000000 ] - [ -0.0000009000000000, 0.0000001100000000, 0.0001745400000000 ] - [ 0.0000003100000000, 0.0000001000000000, -0.0001776000000000 ] - [ -0.0000009100000000, 0.0000002200000000, -0.0002503400000000 ] - [ -0.0000014600000000, 0.0000002300000000, 0.0002216000000000 ] - [ -0.0000010800000000, 0.0000002200000000, 0.0000993800000000 ] - [ -0.0000005700000000, 0.0000000500000000, 0.0000689100000000 ] - [ -0.0000006100000000, 0.0000002300000000, -0.0000827300000000 ] - [ 0.0000005700000000, 0.0000000500000000, 0.0002754200000000 ] - [ -0.0000007700000000, 0.0000000500000000, 0.0001958100000000 ] - [ 0.0000209800000000, 0.0000000900000000, 0.0001841400000000 ] - [ -0.0000769200000000, -0.0000006300000000, -0.0000828500000000 ] - [ 0.0000001000000000, -0.0000003400000000, 0.0004626100000000 ] - [ 0.0000001400000000, 0.0000000500000000, 0.0002881200000000 ] - [ -0.0000012500000000, 0.0000000400000000, 0.0003365300000000 ] - [ 0.0000045100000000, -0.0000002000000000, -0.0000465200000000 ] - [ -0.0000020200000000, 0.0000002300000000, 0.0003291000000000 ] - [ -0.0000011400000000, 0.0000001300000000, -0.0000024400000000 ] - [ 0.0000000500000000, 0.0000001600000000, -0.0003129400000000 ] - [ -0.0000016500000000, 0.0000001400000000, 0.0000345300000000 ] - [ -0.0000012200000000, -0.0000000800000000, -0.0005791000000000 ] - [ -0.0000024900000000, 0.0000001300000000, 0.0000003600000000 ] - [ -0.0000013500000000, 0.0000002200000000, 0.0002135600000000 ] - [ -0.0000004300000000, 0.0000001200000000, 0.0001008200000000 ] - [ 0.0107405400000000, 0.0002045300000000, -0.0003023300000000 ] - [ -0.0000001500000000, -0.0000000800000000, -0.0000353800000000 ] - [ -0.0000008900000000, 0.0000000500000000, 0.0001091200000000 ] - [ 0.0000005900000000, -0.0000000800000000, -0.0002289600000000 ] - [ 0.0000001700000000, -0.0000000900000000, -0.0003922400000000 ] - [ -0.0000010400000000, 0.0000000600000000, 0.0004377200000000 ] - [ -0.0000014300000000, 0.0000000500000000, 0.0000341600000000 ] - [ -0.0000010200000000, -0.0000001100000000, -0.0003430200000000 ] - [ -0.0000005300000000, -0.0000000800000000, -0.0001298900000000 ] - [ 0.0000002800000000, 0.0000001400000000, -0.0004829600000000 ] - [ -0.0000010700000000, 0.0000002400000000, 0.0000737900000000 ] - [ -0.0000014600000000, -0.0000000600000000, 0.0000873000000000 ] - [ -0.0000012500000000, 0.0000001400000000, -0.0005491700000000 ] - [ -0.0000014900000000, 0.0000000500000000, -0.0002418900000000 ] - [ 0.0109639700000000, -0.0002045600000000, -0.0002070200000000 ] - [ -0.0000011300000000, 0.0000000500000000, 0.0000304400000000 ] - [ -0.0000011500000000, 0.0000001400000000, -0.0002174900000000 ] - [ -0.0002797300000000, 0.0000003900000000, 0.0002629700000000 ] - [ -0.0000001800000000, 0.0000000500000000, -0.0001410800000000 ] - [ -0.0000014500000000, -0.0000000600000000, 0.0001191900000000 ] - [ -0.0000008600000000, -0.0000000800000000, -0.0001459700000000 ] - [ -0.0000031000000000, 0.0000001300000000, -0.0002646900000000 ] - [ -0.0000004800000000, 0.0000002200000000, -0.0000560200000000 ] - [ -0.0000007400000000, -0.0000000700000000, -0.0002039800000000 ] - [ -0.0000015800000000, 0.0000002200000000, 0.0004803100000000 ] - [ -0.0000020500000000, 0.0000001300000000, -0.0000908000000000 ] - [ -0.0000014000000000, -0.0000000800000000, -0.0001520300000000 ] - [ -0.0000014500000000, 0.0000001400000000, -0.0002488000000000 ] - [ -0.0000010000000000, 0.0000002200000000, 0.0002093800000000 ]- atom: 15 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0000599400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006749200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003863600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006054800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003883700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005021500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004134700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001065200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005026400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002981500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001450700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008085800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006844100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002819100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0607386600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007353100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008083400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000580100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002491000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008050600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004594800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001908500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004507500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005750600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002254000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004515700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000201100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001018900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001314100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002838200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000756700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000067800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000280000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000376700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002619100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000879100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001344200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002576900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001274300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002032000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005110100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001649100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007786900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001978400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000127000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000972400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301310500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002331100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000918100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004261200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005899200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002356900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001679300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005425400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003277000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006802600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001271900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001111300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007484300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004433700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0300127100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001693100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004158000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002873700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003414200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000796300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003443800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004652300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002571400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004040400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002792900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002888600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003515300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004480900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000082800000000 ]- atom: 15 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0009885900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001247100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004116700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001973300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004140000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002971700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003846400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006974800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003034400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005084200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006530900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000085200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001155700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005158300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0618849400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000694300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000083600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007425400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005522900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000974800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003412000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006086100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003495200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002260500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005805400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000490200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004232600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003006900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002690700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001185000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004750900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003982600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003965200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002013900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006647500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004882300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005386000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001653800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005308900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001980900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001148700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002338200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003797400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001985800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004145400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002986400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0304568300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001621700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003099500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000319500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001947500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006397300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002361200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001437100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000676600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002857700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002747800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002856600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003499000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000407300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0307077300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002297700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000193800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002324000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000590600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003176100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000521700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000642400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001450100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000041400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006816300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001071500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000472000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000496100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004106000000000 ]- atom: 16 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000004000000000, 0.0000000700000000, -0.0005236200000000 ] - [ 0.0000349500000000, -0.0000002900000000, 0.0002754300000000 ] - [ 0.0000349400000000, -0.0000000900000000, -0.0000125400000000 ] - [ -0.0000015500000000, 0.0000001200000000, 0.0002039800000000 ] - [ 0.0000001200000000, 0.0000001100000000, -0.0000128000000000 ] - [ 0.0000004200000000, -0.0000004200000000, 0.0001027700000000 ] - [ 0.0000007100000000, -0.0000004000000000, 0.0000146300000000 ] - [ -0.0000007300000000, -0.0000003900000000, -0.0002952000000000 ] - [ -0.0000008600000000, 0.0000000800000000, 0.0000996100000000 ] - [ 0.0000000500000000, 0.0000001200000000, -0.0001049000000000 ] - [ -0.0000003600000000, -0.0000003800000000, -0.0002537700000000 ] - [ -0.0000009800000000, -0.0000004100000000, 0.0004087200000000 ] - [ 0.0000003500000000, -0.0000004200000000, 0.0002847100000000 ] - [ -0.0000006100000000, -0.0000003900000000, -0.0001168300000000 ] - [ 0.0000001400000000, 0.0000001300000000, 0.0005583700000000 ] - [ -0.0214381000000000, 0.0000002300000000, 0.0003236100000000 ] - [ -0.0000009200000000, 0.0000001100000000, 0.0004084600000000 ] - [ -0.0000015800000000, 0.0000000700000000, -0.0003416400000000 ] - [ -0.0000011200000000, 0.0000000800000000, -0.0001517700000000 ] - [ 0.0000007300000000, -0.0000004300000000, 0.0003538700000000 ] - [ -0.0000008600000000, -0.0000004100000000, 0.0000593900000000 ] - [ -0.0000008700000000, -0.0000003800000000, -0.0002086300000000 ] - [ -0.0000015500000000, 0.0000001000000000, 0.0000510600000000 ] - [ 0.0000001100000000, 0.0000001200000000, 0.0001747600000000 ] - [ 0.0000004200000000, 0.0000000800000000, -0.0001772600000000 ] - [ -0.0000009700000000, 0.0000002200000000, -0.0002500400000000 ] - [ -0.0000008400000000, 0.0000002300000000, 0.0002219100000000 ] - [ -0.0000019900000000, 0.0000002200000000, 0.0000996700000000 ] - [ 0.0000006000000000, 0.0000000500000000, 0.0000692200000000 ] - [ -0.0000014200000000, 0.0000002200000000, -0.0000824200000000 ] - [ 0.0000208400000000, 0.0000000800000000, 0.0002757400000000 ] - [ -0.0000010100000000, 0.0000000500000000, 0.0001961100000000 ] - [ -0.0000002700000000, 0.0000000500000000, 0.0001845100000000 ] - [ -0.0000029300000000, 0.0000001000000000, -0.0000823600000000 ] - [ -0.0000004500000000, 0.0000002200000000, 0.0004636000000000 ] - [ -0.0001893600000000, -0.0000000200000000, 0.0002889700000000 ] - [ -0.0000001500000000, 0.0000000400000000, 0.0003368900000000 ] - [ 0.0000005900000000, -0.0000001500000000, -0.0000463500000000 ] - [ -0.0000019100000000, 0.0000002300000000, 0.0003294400000000 ] - [ -0.0000762700000000, -0.0000006000000000, -0.0000023700000000 ] - [ -0.0000014000000000, 0.0000001700000000, -0.0003127100000000 ] - [ -0.0000314400000000, 0.0000001800000000, 0.0000348800000000 ] - [ -0.0000008200000000, -0.0000001000000000, -0.0005788700000000 ] - [ -0.0000030100000000, 0.0000001300000000, 0.0000006700000000 ] - [ 0.0107319000000000, 0.0002043700000000, -0.0000334500000000 ] - [ -0.0000005600000000, 0.0000001200000000, 0.0001011400000000 ] - [ -0.0000008400000000, 0.0000002200000000, -0.0000544800000000 ] - [ -0.0000006500000000, -0.0000000700000000, -0.0000350800000000 ] - [ -0.0000012200000000, 0.0000000400000000, 0.0001094300000000 ] - [ -0.0000005000000000, -0.0000000800000000, -0.0002287300000000 ] - [ -0.0000013800000000, -0.0000000800000000, -0.0003920100000000 ] - [ -0.0000005600000000, 0.0000000500000000, 0.0004380800000000 ] - [ 0.0000001700000000, 0.0000000600000000, 0.0000344700000000 ] - [ -0.0000007200000000, -0.0000001000000000, -0.0003427900000000 ] - [ 0.0109684000000000, -0.0002046100000000, 0.0001177000000000 ] - [ -0.0000020000000000, 0.0000001400000000, -0.0004827500000000 ] - [ -0.0000013200000000, 0.0000002300000000, 0.0000741000000000 ] - [ -0.0000016400000000, -0.0000000500000000, 0.0000876100000000 ] - [ -0.0000011000000000, 0.0000001400000000, -0.0005489300000000 ] - [ -0.0000008600000000, 0.0000000500000000, -0.0002416000000000 ] - [ -0.0000009200000000, 0.0000000300000000, -0.0004545900000000 ] - [ -0.0000014000000000, 0.0000000500000000, 0.0000307700000000 ] - [ -0.0000024400000000, 0.0000001400000000, -0.0002172700000000 ] - [ -0.0000010400000000, 0.0000002300000000, 0.0002631100000000 ] - [ -0.0000007300000000, 0.0000000400000000, -0.0001407700000000 ] - [ -0.0000011800000000, -0.0000000700000000, 0.0001194800000000 ] - [ -0.0000014400000000, -0.0000000700000000, -0.0001457500000000 ] - [ -0.0000011000000000, 0.0000001300000000, -0.0002644800000000 ] - [ -0.0000010400000000, 0.0000002200000000, -0.0000557100000000 ] - [ -0.0000001200000000, -0.0000000900000000, -0.0002037500000000 ] - [ -0.0000017800000000, 0.0000002200000000, 0.0004806600000000 ] - [ -0.0000004200000000, 0.0000001300000000, -0.0000905800000000 ] - [ -0.0000014500000000, -0.0000000900000000, -0.0001517900000000 ] - [ -0.0000016200000000, 0.0000001400000000, -0.0002485700000000 ] - [ -0.0000015300000000, 0.0000002200000000, 0.0002096900000000 ]- atom: 16 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001180200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007262900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004384300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006037800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003872300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005027800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004144100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001034700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005016100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002980100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001465300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008090000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006847200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002828000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009607200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0609629900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008114200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000589600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002493900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007534900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004595100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001904000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004519700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005759900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002251200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004508500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000195900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001025700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001307200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002839900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000621900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000070000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000170900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002843600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002627200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003261200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001349200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002446700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001288300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001165800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005130000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001831100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007780800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001989900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0304048600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000959900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002547500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002338400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000933100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004267500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005920500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002358700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001662100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005440700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0303334400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006815300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001270700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001115600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007481900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004421500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006551300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001707300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004155300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000628900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003432100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000790100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003442400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004656700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002564000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004015300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002787300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002880800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003499400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004481700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000078200000000 ]- atom: 16 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0009293000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001749200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004627800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001957700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004127700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002968900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003848100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006937200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003022900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005070500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006536700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000091900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001148100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005160500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001566700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0615930200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000059500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007411600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005526500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000452600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003401800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006072900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003490400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002253200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005791300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000468700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004251200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003031800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002707200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001211400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004891500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003997000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003873100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001186700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006656700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002478400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005399100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001498600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005311800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001180700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001144900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002516100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003815700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001995300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301920900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002975800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001472200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001629300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003131200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000318000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001934000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006411300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002364300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001438800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0303782800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002855000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002768700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002859600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003516300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000388900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002549600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002346300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000194300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004657400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000635900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003171300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000523000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000645200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001476600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000067700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006839100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001066800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000460900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000499800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004125400000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000004500000000, 0.0000000600000000, -0.0005235700000000 ] - [ 0.0000350700000000, -0.0000001000000000, 0.0002752500000000 ] - [ -0.0000007400000000, -0.0000004000000000, -0.0000123300000000 ] - [ -0.0000007500000000, 0.0000001200000000, 0.0002040200000000 ] - [ 0.0000002500000000, 0.0000001100000000, -0.0000127300000000 ] - [ 0.0000009000000000, -0.0000004200000000, 0.0001028000000000 ] - [ -0.0000006800000000, -0.0000004100000000, 0.0000146800000000 ] - [ -0.0000002300000000, -0.0000004000000000, -0.0002951500000000 ] - [ -0.0000013100000000, 0.0000000800000000, 0.0000996400000000 ] - [ 0.0000005400000000, 0.0000001000000000, -0.0001048800000000 ] - [ -0.0000004800000000, -0.0000003800000000, -0.0002537200000000 ] - [ 0.0000351500000000, -0.0000003100000000, 0.0004089300000000 ] - [ -0.0000007700000000, -0.0000004300000000, 0.0002847600000000 ] - [ -0.0000006100000000, -0.0000003900000000, -0.0001167900000000 ] - [ 0.0000003900000000, 0.0000001200000000, 0.0005584200000000 ] - [ -0.0000007400000000, 0.0000000800000000, 0.0003332700000000 ] - [ -0.0214470400000000, 0.0000006500000000, 0.0003948600000000 ] - [ 0.0000005200000000, 0.0000000800000000, -0.0003416200000000 ] - [ -0.0000013500000000, 0.0000000600000000, -0.0001517200000000 ] - [ 0.0000005000000000, -0.0000004400000000, 0.0003539200000000 ] - [ 0.0000005600000000, -0.0000004100000000, 0.0000594400000000 ] - [ -0.0000001800000000, -0.0000003900000000, -0.0002085900000000 ] - [ 0.0000002700000000, 0.0000001000000000, 0.0000510900000000 ] - [ -0.0000014100000000, 0.0000001200000000, 0.0001747900000000 ] - [ -0.0000009900000000, 0.0000000900000000, -0.0001772200000000 ] - [ -0.0000008900000000, 0.0000002200000000, -0.0002500700000000 ] - [ -0.0000013700000000, 0.0000002200000000, 0.0002218900000000 ] - [ -0.0000011500000000, 0.0000002200000000, 0.0000996600000000 ] - [ -0.0000005700000000, 0.0000000400000000, 0.0000691900000000 ] - [ -0.0000008000000000, 0.0000002100000000, -0.0000824500000000 ] - [ -0.0000008400000000, 0.0000000500000000, 0.0002757100000000 ] - [ -0.0000010500000000, 0.0000000400000000, 0.0001960900000000 ] - [ -0.0000003900000000, 0.0000000400000000, 0.0001845100000000 ] - [ -0.0000004000000000, 0.0000001000000000, -0.0000822300000000 ] - [ -0.0000016000000000, 0.0000002100000000, 0.0004636000000000 ] - [ 0.0000209900000000, 0.0000000800000000, 0.0002884200000000 ] - [ -0.0001892500000000, -0.0000000200000000, 0.0003373600000000 ] - [ 0.0000003300000000, -0.0000001600000000, -0.0000462300000000 ] - [ 0.0107298900000000, 0.0002043400000000, 0.0000820800000000 ] - [ -0.0000002500000000, 0.0000001300000000, -0.0000020700000000 ] - [ -0.0000028900000000, 0.0000001600000000, -0.0003125400000000 ] - [ -0.0000760800000000, -0.0000006000000000, 0.0000347500000000 ] - [ -0.0000005500000000, -0.0000000900000000, -0.0005787100000000 ] - [ -0.0000313200000000, 0.0000001700000000, 0.0000008400000000 ] - [ -0.0000006600000000, 0.0000002200000000, 0.0002138400000000 ] - [ -0.0000028400000000, 0.0000001100000000, 0.0001012700000000 ] - [ -0.0000002900000000, 0.0000002200000000, -0.0000545100000000 ] - [ 0.0109674600000000, -0.0002045900000000, 0.0002123300000000 ] - [ 0.0000003400000000, 0.0000000500000000, 0.0001094000000000 ] - [ -0.0000012100000000, -0.0000000900000000, -0.0002285900000000 ] - [ -0.0000006500000000, -0.0000001000000000, -0.0003918500000000 ] - [ 0.0000000200000000, 0.0000000400000000, 0.0004380700000000 ] - [ 0.0000007600000000, 0.0000000500000000, 0.0000344400000000 ] - [ 0.0000007900000000, -0.0000001100000000, -0.0003426300000000 ] - [ -0.0000012800000000, -0.0000000900000000, -0.0001295200000000 ] - [ -0.0000009400000000, 0.0000001400000000, -0.0004825900000000 ] - [ -0.0000012700000000, 0.0000002200000000, 0.0000740600000000 ] - [ -0.0000010200000000, -0.0000000600000000, 0.0000877200000000 ] - [ -0.0000012300000000, 0.0000001400000000, -0.0005487900000000 ] - [ -0.0000012300000000, 0.0000000400000000, -0.0002416100000000 ] - [ -0.0000014200000000, 0.0000000200000000, -0.0004544200000000 ] - [ -0.0000003700000000, 0.0000000400000000, 0.0000307200000000 ] - [ -0.0000014600000000, 0.0000001400000000, -0.0002171200000000 ] - [ -0.0000004200000000, 0.0000002200000000, 0.0002631200000000 ] - [ -0.0000006900000000, 0.0000000400000000, -0.0001408100000000 ] - [ -0.0000004800000000, -0.0000000700000000, 0.0001196200000000 ] - [ 0.0000000500000000, -0.0000000800000000, -0.0001455900000000 ] - [ -0.0000018400000000, 0.0000001300000000, -0.0002643300000000 ] - [ -0.0000008700000000, 0.0000002200000000, -0.0000557400000000 ] - [ -0.0000003300000000, -0.0000000900000000, -0.0002035900000000 ] - [ -0.0000017500000000, 0.0000002200000000, 0.0004806400000000 ] - [ -0.0000022800000000, 0.0000001300000000, -0.0000904300000000 ] - [ -0.0000012700000000, -0.0000000800000000, -0.0001516600000000 ] - [ -0.0000009400000000, 0.0000001300000000, -0.0002484200000000 ] - [ -0.0000018200000000, 0.0000002200000000, 0.0002096600000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001194700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007260100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003875900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006060000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003892200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005023400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004135300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001040700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004992800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002976000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001457600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008596900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006847600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002820200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009586100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007361000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0608795000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000630500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002478200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007536200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004593400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001916000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004520400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005756100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002240700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004510600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000199400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001017200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001335000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002834800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000725300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000068900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000174700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002797700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002614700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000746900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003741700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002454500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0305196500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001999100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005145500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001536700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007801200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002168500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000114000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000986900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002549300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0304274000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000914500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004288500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005911500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002359100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001656900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005412800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003278800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006819800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001278100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001109900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007493700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004433700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006559500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001690600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004168400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000626500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003416300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000795000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003436100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004633200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002562000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004017700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002798700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002889700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003504300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004498500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000072200000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0009271000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001747400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004117100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001971000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004136100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002964300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003837300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006941100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002994700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005071600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006527700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000410900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001145200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005151000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001595900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000688000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0616470300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007459500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005504600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000451300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003399500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006082800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003497500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002258900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005778200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000464000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004250000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003026500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002738800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001210000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004795100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003999800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003878700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001143700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006670800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005021500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002967300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001507900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0300758200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001956200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001128300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000810400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003795000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002172100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004171800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003004800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001474900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0302832100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003115600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000296900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001942400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006412600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002362000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001464900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000686000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002849800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002778800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002855700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003502600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000373900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002537900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002330700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000182600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004662300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000622200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003179400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000516700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000668800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001476300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000064300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006826800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001077300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000467600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000481500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004134100000000 ]- atom: 18 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000008600000000, 0.0000000600000000, -0.0005235000000000 ] - [ -0.0000006300000000, -0.0000003800000000, 0.0002754000000000 ] - [ -0.0000004400000000, -0.0000003800000000, -0.0000123700000000 ] - [ 0.0000005600000000, 0.0000001200000000, 0.0002041100000000 ] - [ 0.0000003000000000, 0.0000001100000000, -0.0000128100000000 ] - [ -0.0000005500000000, -0.0000004100000000, 0.0001027700000000 ] - [ 0.0000008900000000, -0.0000004000000000, 0.0000146400000000 ] - [ 0.0000352700000000, -0.0000001000000000, -0.0002952200000000 ] - [ -0.0000008900000000, 0.0000000900000000, 0.0000996000000000 ] - [ 0.0000002300000000, 0.0000001200000000, -0.0001049200000000 ] - [ -0.0000008300000000, -0.0000003800000000, -0.0002537700000000 ] - [ -0.0000001700000000, -0.0000004000000000, 0.0004088500000000 ] - [ -0.0000015500000000, -0.0000004200000000, 0.0002848400000000 ] - [ 0.0000352200000000, -0.0000003000000000, -0.0001166900000000 ] - [ -0.0000006600000000, 0.0000001300000000, 0.0005585100000000 ] - [ -0.0000013900000000, 0.0000000800000000, 0.0003332300000000 ] - [ 0.0000005100000000, 0.0000001200000000, 0.0004086100000000 ] - [ -0.0214627000000000, 0.0000000400000000, -0.0003554400000000 ] - [ -0.0000006400000000, 0.0000000700000000, -0.0001517700000000 ] - [ -0.0000017900000000, -0.0000004300000000, 0.0003540000000000 ] - [ -0.0000001400000000, -0.0000004000000000, 0.0000593900000000 ] - [ 0.0000004700000000, -0.0000003900000000, -0.0002086300000000 ] - [ 0.0000005000000000, 0.0000001100000000, 0.0000510500000000 ] - [ 0.0000001000000000, 0.0000001200000000, 0.0001748800000000 ] - [ -0.0000013700000000, 0.0000000900000000, -0.0001772600000000 ] - [ -0.0000017500000000, 0.0000002300000000, -0.0002499900000000 ] - [ -0.0000009900000000, 0.0000002400000000, 0.0002219800000000 ] - [ -0.0000006700000000, 0.0000002300000000, 0.0000997300000000 ] - [ -0.0000004000000000, 0.0000000500000000, 0.0000692800000000 ] - [ -0.0000016100000000, 0.0000002200000000, -0.0000823500000000 ] - [ -0.0000005000000000, 0.0000000500000000, 0.0002758000000000 ] - [ -0.0000005700000000, 0.0000000500000000, 0.0001961800000000 ] - [ -0.0000010700000000, 0.0000000500000000, 0.0001845300000000 ] - [ -0.0000005300000000, 0.0000001000000000, -0.0000823300000000 ] - [ -0.0000013500000000, 0.0000002200000000, 0.0004636100000000 ] - [ -0.0000009400000000, 0.0000000500000000, 0.0002885000000000 ] - [ -0.0000008500000000, 0.0000000500000000, 0.0003369000000000 ] - [ -0.0000013200000000, -0.0000001500000000, -0.0000463000000000 ] - [ 0.0000004700000000, 0.0000002300000000, 0.0003294600000000 ] - [ -0.0000013900000000, 0.0000001300000000, -0.0000021100000000 ] - [ -0.0000763800000000, -0.0000005600000000, -0.0003128500000000 ] - [ -0.0000019600000000, 0.0000001300000000, 0.0000348500000000 ] - [ 0.0000000300000000, 0.0000001200000000, -0.0005784300000000 ] - [ -0.0000012000000000, 0.0000001400000000, 0.0000006800000000 ] - [ -0.0000008800000000, 0.0000002200000000, 0.0002139400000000 ] - [ -0.0000016100000000, 0.0000001200000000, 0.0001011700000000 ] - [ -0.0000011500000000, 0.0000002300000000, -0.0000544700000000 ] - [ -0.0000005400000000, -0.0000000700000000, -0.0000350400000000 ] - [ -0.0000005600000000, 0.0000000600000000, 0.0001095000000000 ] - [ -0.0000014900000000, -0.0000000800000000, -0.0002286200000000 ] - [ -0.0000010400000000, -0.0000000800000000, -0.0003919000000000 ] - [ -0.0000015200000000, 0.0000000500000000, 0.0004380900000000 ] - [ -0.0000001000000000, 0.0000000600000000, 0.0000345300000000 ] - [ 0.0109781300000000, -0.0002047500000000, -0.0000953000000000 ] - [ -0.0000005300000000, -0.0000000800000000, -0.0001295600000000 ] - [ -0.0000028400000000, 0.0000001400000000, -0.0004826200000000 ] - [ -0.0000002900000000, 0.0000002400000000, 0.0000741600000000 ] - [ -0.0000003400000000, -0.0000000500000000, 0.0000876300000000 ] - [ -0.0000313500000000, 0.0000001900000000, -0.0005487600000000 ] - [ -0.0001897800000000, -0.0000000200000000, -0.0002411400000000 ] - [ 0.0000001100000000, 0.0000000300000000, -0.0004545400000000 ] - [ 0.0000210900000000, 0.0000000900000000, 0.0000307400000000 ] - [ -0.0000023700000000, 0.0000001400000000, -0.0002171700000000 ] - [ -0.0000001400000000, 0.0000000200000000, 0.0002627900000000 ] - [ 0.0000000200000000, 0.0000000400000000, -0.0001407100000000 ] - [ -0.0000000600000000, -0.0000000700000000, 0.0001195200000000 ] - [ -0.0000009100000000, -0.0000000700000000, -0.0001456300000000 ] - [ -0.0000003600000000, 0.0000001300000000, -0.0002643500000000 ] - [ 0.0107372500000000, 0.0002044500000000, -0.0003030800000000 ] - [ -0.0000008200000000, -0.0000000800000000, -0.0002036400000000 ] - [ 0.0000000300000000, 0.0000002300000000, 0.0004806700000000 ] - [ 0.0000002600000000, 0.0000001300000000, -0.0000904700000000 ] - [ -0.0000004700000000, -0.0000000700000000, -0.0001516900000000 ] - [ -0.0000027500000000, 0.0000001400000000, -0.0002484500000000 ] - [ -0.0000015400000000, 0.0000002200000000, 0.0002097500000000 ]- atom: 18 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001209100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006756500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003885600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006065200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003892600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005029700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004157000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001569900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005008000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002979100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001474600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008097800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006851100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003354900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009595100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007348600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008146700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0617077700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002503200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007541600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004609000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001925500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004564500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005782100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002244600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004487800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000219600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000997100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001312200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002828400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000754000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000045100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000158200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002801200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002624900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000875900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001367000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002441400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001306200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002012800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001927400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001632200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007776600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001993200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000121700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000981200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002543600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002331500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000907400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004274500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005902100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002372100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001659200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301230700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003279700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006817200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001252400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001106800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007662600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002029600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006555200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001801400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004191400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000626400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003411700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000787700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003443200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004615000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301375400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004017200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002813300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002884700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003500000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004499800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000085700000000 ]- atom: 18 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0009257600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001242500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004126600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001975000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004141600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002967600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003856200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007469400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003011300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005069600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006543900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000085500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001148800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005679100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001583300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000673100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000031700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0609607500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005534400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000454400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003414000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006091000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003532900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002277600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005777400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000484200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004238600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003011900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002718300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001204700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004777800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003984800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003867900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001145200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006665800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004908400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005385600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001498600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005299500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001962400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004328100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002324700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003818400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002000900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004174500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002999200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001477200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001624500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003115200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000309100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001949600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006404200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002368400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0305955600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000680400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002847500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002756700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002851800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003326300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002835100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002544800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002447700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000161200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004664400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000619100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003171300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000520500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000684100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0304613300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000066300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006817600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001066700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000456900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000480300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004128900000000 ]- atom: 19 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000016600000000, 0.0000000700000000, -0.0005236500000000 ] - [ -0.0000006100000000, -0.0000003900000000, 0.0002752000000000 ] - [ -0.0000003500000000, -0.0000003800000000, -0.0000125500000000 ] - [ 0.0000003000000000, 0.0000001300000000, 0.0002039200000000 ] - [ 0.0000000500000000, 0.0000001100000000, -0.0000129700000000 ] - [ 0.0000007500000000, -0.0000004200000000, 0.0001025800000000 ] - [ 0.0000003300000000, -0.0000004100000000, 0.0000144600000000 ] - [ -0.0000008300000000, -0.0000004100000000, -0.0002952700000000 ] - [ 0.0000004100000000, 0.0000000800000000, 0.0000994200000000 ] - [ -0.0000015400000000, 0.0000001100000000, -0.0001050900000000 ] - [ 0.0000349900000000, -0.0000002900000000, -0.0002537800000000 ] - [ -0.0000007800000000, -0.0000004000000000, 0.0004086600000000 ] - [ -0.0000003000000000, -0.0000004200000000, 0.0002846500000000 ] - [ 0.0000349600000000, -0.0000001000000000, -0.0001170800000000 ] - [ 0.0000000400000000, 0.0000001200000000, 0.0005583300000000 ] - [ -0.0000011200000000, 0.0000000900000000, 0.0003330300000000 ] - [ -0.0000015600000000, 0.0000001000000000, 0.0004084300000000 ] - [ -0.0000008500000000, 0.0000000700000000, -0.0003417200000000 ] - [ -0.0214431200000000, 0.0000003500000000, -0.0001525200000000 ] - [ -0.0000017400000000, -0.0000004400000000, 0.0003538200000000 ] - [ -0.0000007400000000, -0.0000004100000000, 0.0000592100000000 ] - [ -0.0000009900000000, -0.0000004000000000, -0.0002088000000000 ] - [ 0.0000001400000000, 0.0000001000000000, 0.0000508600000000 ] - [ 0.0000004000000000, 0.0000001100000000, 0.0001746800000000 ] - [ -0.0000009000000000, 0.0000000900000000, -0.0001774600000000 ] - [ 0.0107370800000000, 0.0002044400000000, -0.0004975200000000 ] - [ -0.0000017100000000, 0.0000002200000000, 0.0002218700000000 ] - [ -0.0000004600000000, 0.0000002300000000, 0.0000996200000000 ] - [ -0.0000001500000000, 0.0000000400000000, 0.0000691700000000 ] - [ -0.0000019100000000, 0.0000002200000000, -0.0000824900000000 ] - [ -0.0000007400000000, 0.0000000500000000, 0.0002756800000000 ] - [ -0.0000007200000000, 0.0000000500000000, 0.0001960600000000 ] - [ -0.0000016800000000, 0.0000000400000000, 0.0001844000000000 ] - [ -0.0000017800000000, 0.0000001000000000, -0.0000825400000000 ] - [ -0.0000001300000000, 0.0000002300000000, 0.0004634900000000 ] - [ -0.0000006700000000, 0.0000000400000000, 0.0002883800000000 ] - [ -0.0000011200000000, 0.0000000400000000, 0.0003367900000000 ] - [ -0.0000014800000000, -0.0000001400000000, -0.0000465100000000 ] - [ -0.0000010500000000, 0.0000002200000000, 0.0003293500000000 ] - [ 0.0000001000000000, 0.0000001300000000, -0.0000023300000000 ] - [ -0.0000003900000000, 0.0000001700000000, -0.0003128800000000 ] - [ -0.0000015600000000, 0.0000001300000000, 0.0000346300000000 ] - [ 0.0109723100000000, -0.0002046700000000, -0.0003316600000000 ] - [ -0.0000021300000000, 0.0000001300000000, 0.0000004700000000 ] - [ -0.0000011600000000, 0.0000002300000000, 0.0002138100000000 ] - [ -0.0000013800000000, 0.0000001200000000, 0.0001009200000000 ] - [ -0.0000015200000000, 0.0000002200000000, -0.0000545700000000 ] - [ -0.0000007100000000, -0.0000000700000000, -0.0000352700000000 ] - [ -0.0000002800000000, 0.0000000500000000, 0.0001093800000000 ] - [ -0.0000012000000000, -0.0000000800000000, -0.0002288600000000 ] - [ -0.0000006600000000, -0.0000000800000000, -0.0003921200000000 ] - [ -0.0000010200000000, 0.0000000500000000, 0.0004379800000000 ] - [ -0.0000005600000000, 0.0000000500000000, 0.0000344100000000 ] - [ -0.0000014600000000, -0.0000001100000000, -0.0003429300000000 ] - [ -0.0000006300000000, -0.0000000800000000, -0.0001297900000000 ] - [ -0.0000314700000000, 0.0000001900000000, -0.0004828000000000 ] - [ -0.0000017800000000, 0.0000002200000000, 0.0000740300000000 ] - [ -0.0000002300000000, -0.0000000600000000, 0.0000874200000000 ] - [ -0.0000762800000000, -0.0000005900000000, -0.0005492500000000 ] - [ 0.0000208400000000, 0.0000000800000000, -0.0002417100000000 ] - [ -0.0000004600000000, 0.0000000300000000, -0.0004547900000000 ] - [ -0.0000010200000000, 0.0000000500000000, 0.0000306400000000 ] - [ -0.0000029100000000, 0.0000001300000000, -0.0002173900000000 ] - [ -0.0000015500000000, 0.0000002200000000, 0.0002629700000000 ] - [ -0.0001897200000000, -0.0000000300000000, -0.0001404100000000 ] - [ -0.0000007000000000, -0.0000000800000000, 0.0001193000000000 ] - [ -0.0000009800000000, -0.0000000800000000, -0.0001458600000000 ] - [ -0.0000030100000000, 0.0000001300000000, -0.0002645900000000 ] - [ -0.0000008400000000, 0.0000002200000000, -0.0000558300000000 ] - [ -0.0000016600000000, -0.0000000800000000, -0.0002038700000000 ] - [ 0.0000003000000000, 0.0000002200000000, 0.0004805500000000 ] - [ -0.0000025400000000, 0.0000001300000000, -0.0000907000000000 ] - [ -0.0000010900000000, -0.0000000800000000, -0.0001519200000000 ] - [ -0.0000005500000000, 0.0000001300000000, -0.0002486800000000 ] - [ -0.0000008400000000, 0.0000002200000000, 0.0002096200000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001203000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006757600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003885400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006099500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003896300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005031900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004153000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001054900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005034400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002955500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001979800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008085600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006851600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003347000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009595400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007350900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008088100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000599600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0614738700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007538200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004591000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001920400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004530100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005769500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002257600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0299449400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000202400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001002700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001317600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002817300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000746100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000047000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000168300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002824600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002638100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000875400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001355300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002452500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001272000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002008100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005115400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001649600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0298840000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001981100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000133300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000995500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002551800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002341900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000915400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004275500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005913600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002374000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001666400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005418700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003285300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007010000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001270000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001113700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004321200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004529800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006561100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001704600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004193500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000624300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001025700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000792400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003443700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004641800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002564000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004030900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002813600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002930500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003510300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004461300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000097200000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0009260800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001248500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004131400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002012600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004144500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002974400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003858100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006960600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003035800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005049800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007047500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000093200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001154300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005680000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001583800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000684300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000086500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007429300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0611418500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000456400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003400300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006091500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003510700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002272500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005802900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0306574600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004251800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003013200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002720400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001193200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004781100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003982100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003874700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001162700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006648600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004905500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005392900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001499200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005330400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001952200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001169800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002335300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0308293100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001984300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004158100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003006200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001481400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001629000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003118300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000315200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001947500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006398400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002372100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001464600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000680200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002662600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002770100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002852500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006667100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000273800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002544700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002350100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000164800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004665100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001825300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003170400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000515300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000662200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001480300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000057300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006813300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001107900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000462200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000524500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004112600000000 ]- atom: 20 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000011200000000, 0.0000004100000000, -0.0005238000000000 ] - [ 0.0000020200000000, -0.0000000500000000, 0.0002750900000000 ] - [ 0.0000020500000000, -0.0000000500000000, -0.0000126300000000 ] - [ -0.0000006300000000, 0.0000004700000000, 0.0002037800000000 ] - [ -0.0000003700000000, 0.0000004500000000, -0.0000130500000000 ] - [ 0.0000008400000000, -0.0000000800000000, 0.0001025100000000 ] - [ 0.0000004400000000, -0.0000000700000000, 0.0000143900000000 ] - [ 0.0000009300000000, -0.0000000600000000, -0.0002954000000000 ] - [ -0.0000005500000000, 0.0000004200000000, 0.0000993200000000 ] - [ -0.0000005200000000, 0.0000004400000000, -0.0001051500000000 ] - [ 0.0000023100000000, -0.0000000400000000, -0.0002539700000000 ] - [ 0.0000004400000000, -0.0000000700000000, 0.0004085400000000 ] - [ 0.0000010500000000, -0.0000000800000000, 0.0002845300000000 ] - [ 0.0000019800000000, -0.0000000500000000, -0.0001170500000000 ] - [ 0.0000355800000000, 0.0000003700000000, 0.0005582900000000 ] - [ 0.0000010100000000, 0.0000004200000000, 0.0003329300000000 ] - [ 0.0000006600000000, 0.0000004500000000, 0.0004083100000000 ] - [ -0.0000017300000000, 0.0000004100000000, -0.0003418400000000 ] - [ -0.0000014600000000, 0.0000004100000000, -0.0001519700000000 ] - [ -0.0215311100000000, -0.0000269000000000, 0.0003609500000000 ] - [ 0.0000023700000000, -0.0000000700000000, 0.0000591200000000 ] - [ 0.0000022700000000, -0.0000000400000000, -0.0002088700000000 ] - [ -0.0000000500000000, 0.0000004400000000, 0.0000507800000000 ] - [ 0.0000353400000000, 0.0000001600000000, 0.0001744100000000 ] - [ -0.0000001600000000, 0.0000004200000000, -0.0001774900000000 ] - [ 0.0000006600000000, 0.0000005500000000, -0.0002502200000000 ] - [ 0.0000014100000000, 0.0000005600000000, 0.0002217500000000 ] - [ -0.0000000500000000, 0.0000005500000000, 0.0000995000000000 ] - [ 0.0000003900000000, 0.0000003800000000, 0.0000690400000000 ] - [ 0.0000002800000000, 0.0000005600000000, -0.0000825900000000 ] - [ 0.0000001100000000, 0.0000003800000000, 0.0002755800000000 ] - [ 0.0000000100000000, 0.0000003800000000, 0.0001959500000000 ] - [ 0.0107358200000000, -0.0002037900000000, -0.0000630300000000 ] - [ 0.0109794600000000, 0.0002050700000000, 0.0001647500000000 ] - [ 0.0000217300000000, 0.0000005200000000, 0.0004634000000000 ] - [ -0.0000005600000000, 0.0000003900000000, 0.0002882800000000 ] - [ -0.0000001100000000, 0.0000003800000000, 0.0003366900000000 ] - [ 0.0000016700000000, 0.0000001800000000, -0.0000466100000000 ] - [ -0.0000004000000000, 0.0000005700000000, 0.0003292400000000 ] - [ 0.0000002500000000, 0.0000004700000000, -0.0000024300000000 ] - [ -0.0000002100000000, 0.0000005100000000, -0.0003129800000000 ] - [ 0.0000006200000000, 0.0000004700000000, 0.0000345500000000 ] - [ 0.0000017900000000, 0.0000002500000000, -0.0005791200000000 ] - [ -0.0000006900000000, 0.0000004600000000, 0.0000003900000000 ] - [ 0.0000009900000000, 0.0000005500000000, 0.0002137000000000 ] - [ -0.0000007100000000, 0.0000004600000000, 0.0001008600000000 ] - [ -0.0001909700000000, 0.0000006400000000, -0.0000542600000000 ] - [ -0.0000009400000000, 0.0000002600000000, -0.0000353500000000 ] - [ 0.0000004600000000, 0.0000003900000000, 0.0001092700000000 ] - [ 0.0000000800000000, 0.0000002500000000, -0.0002289800000000 ] - [ -0.0000015800000000, 0.0000002500000000, -0.0003922500000000 ] - [ 0.0000011100000000, 0.0000005900000000, 0.0004375600000000 ] - [ 0.0000003900000000, 0.0000003900000000, 0.0000343000000000 ] - [ 0.0000002700000000, 0.0000002300000000, -0.0003430500000000 ] - [ -0.0000001200000000, 0.0000002600000000, -0.0001298800000000 ] - [ 0.0000009600000000, 0.0000004900000000, -0.0004830000000000 ] - [ -0.0000005900000000, 0.0000005700000000, 0.0000739300000000 ] - [ -0.0000750000000000, 0.0000010200000000, 0.0000871300000000 ] - [ -0.0000004200000000, 0.0000004700000000, -0.0005492000000000 ] - [ 0.0000005700000000, 0.0000003900000000, -0.0002417900000000 ] - [ -0.0000295000000000, 0.0000003000000000, -0.0004548600000000 ] - [ 0.0000009600000000, 0.0000003900000000, 0.0000305700000000 ] - [ -0.0000000800000000, 0.0000004800000000, -0.0002175000000000 ] - [ -0.0000018500000000, 0.0000005600000000, 0.0002628800000000 ] - [ 0.0000008500000000, 0.0000003800000000, -0.0001409500000000 ] - [ 0.0000010900000000, 0.0000002700000000, 0.0001192200000000 ] - [ -0.0000005100000000, 0.0000002700000000, -0.0001459700000000 ] - [ 0.0000013900000000, 0.0000004700000000, -0.0002647200000000 ] - [ -0.0000006400000000, 0.0000005600000000, -0.0000559000000000 ] - [ 0.0000003700000000, 0.0000002500000000, -0.0002039800000000 ] - [ -0.0000002000000000, 0.0000005500000000, 0.0004804500000000 ] - [ -0.0000006300000000, 0.0000004600000000, -0.0000908100000000 ] - [ 0.0000003900000000, 0.0000002500000000, -0.0001520200000000 ] - [ 0.0000000300000000, 0.0000004700000000, -0.0002488100000000 ] - [ 0.0000000700000000, 0.0000005700000000, 0.0002095200000000 ]- atom: 20 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001207800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006755100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003890500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006033100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003862600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005033500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004137200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001047500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004979000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002934700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001477500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008081500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006870000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002834400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010087500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007324100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008079300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000566100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002466600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0608818100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004611900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001952200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004506900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006250500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002217500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004514900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000211100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001023500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001330500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002838100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000735900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000068200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0303733400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0303807500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002502000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000854500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001344600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002454500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001262100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002010800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005131500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001641200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007772700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001992700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000124800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000984100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000170200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002348100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000929700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004291900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005937700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002353000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001681300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005432900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003302400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006815200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001291400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002061600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007495500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004442600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006744300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001718600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004167100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000604300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003432800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000796700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003450700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004627200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002583200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004032500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002774800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002912200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003538200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004498000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000060200000000 ]- atom: 20 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0009274100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001257300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004137500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001955300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004120900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002982000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003846100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006953900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002991100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005036300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006552400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000093200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001177100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005176400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001079500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000662300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000089500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007402200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005504500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0616295400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003430800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006132300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003489000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002757700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005765900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000475200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004234200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003025400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002722800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001199900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004783000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003994400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0302200800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0303337000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006770900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004917200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005395400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001506700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005331400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001944200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001151000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002315800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003833500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001984600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004157700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002983700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000955200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001623800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003124400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000308600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001929300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006411700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002377700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001449600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000685300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002864900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002782700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000309100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003509500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000383300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002374600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002340300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000202300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004657000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000624500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003164200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000510300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000688500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001479300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000068900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006841700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001077600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000478400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000499300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004141700000000 ]- atom: 21 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000003200000000, 0.0000004500000000, -0.0005238200000000 ] - [ 0.0000004300000000, 0.0000000000000000, 0.0002751100000000 ] - [ 0.0000011400000000, 0.0000000000000000, -0.0000126300000000 ] - [ 0.0000010400000000, 0.0000005000000000, 0.0002038100000000 ] - [ -0.0000005500000000, 0.0000005000000000, -0.0000130800000000 ] - [ 0.0000011500000000, -0.0000000300000000, 0.0001025100000000 ] - [ 0.0000005400000000, -0.0000000300000000, 0.0000143700000000 ] - [ 0.0000009300000000, -0.0000000100000000, -0.0002954100000000 ] - [ 0.0000354200000000, 0.0000003800000000, 0.0000995000000000 ] - [ 0.0000007100000000, 0.0000005000000000, -0.0001051700000000 ] - [ 0.0000021400000000, 0.0000000000000000, -0.0002539900000000 ] - [ 0.0000021800000000, -0.0000000300000000, 0.0004085500000000 ] - [ 0.0000021500000000, -0.0000000300000000, 0.0002845300000000 ] - [ 0.0000024200000000, -0.0000000100000000, -0.0001170700000000 ] - [ 0.0000001000000000, 0.0000005100000000, 0.0005581800000000 ] - [ -0.0000005800000000, 0.0000004800000000, 0.0003329400000000 ] - [ 0.0000006800000000, 0.0000004900000000, 0.0004083200000000 ] - [ 0.0000000300000000, 0.0000004600000000, -0.0003418600000000 ] - [ -0.0000004700000000, 0.0000004500000000, -0.0001519900000000 ] - [ 0.0000024400000000, -0.0000000500000000, 0.0003536700000000 ] - [ -0.0215248700000000, -0.0000300900000000, 0.0000664300000000 ] - [ 0.0000021100000000, 0.0000000000000000, -0.0002088800000000 ] - [ 0.0000353100000000, 0.0000001900000000, 0.0000505800000000 ] - [ -0.0000003900000000, 0.0000005000000000, 0.0001745700000000 ] - [ 0.0000010600000000, 0.0000004700000000, -0.0001775100000000 ] - [ 0.0000014800000000, 0.0000006100000000, -0.0002502500000000 ] - [ -0.0001888400000000, 0.0000006900000000, 0.0002221600000000 ] - [ -0.0000001200000000, 0.0000006000000000, 0.0000995000000000 ] - [ -0.0000004800000000, 0.0000004400000000, 0.0000690300000000 ] - [ 0.0000010600000000, 0.0000006000000000, -0.0000826100000000 ] - [ -0.0000004100000000, 0.0000004300000000, 0.0002755500000000 ] - [ 0.0107332900000000, -0.0002037100000000, -0.0000513800000000 ] - [ -0.0000002000000000, 0.0000004300000000, 0.0001843000000000 ] - [ -0.0000002800000000, 0.0000004800000000, -0.0000826300000000 ] - [ 0.0000001800000000, 0.0000006000000000, 0.0004633800000000 ] - [ -0.0000002600000000, 0.0000004400000000, 0.0002882600000000 ] - [ 0.0000010500000000, 0.0000004300000000, 0.0003366700000000 ] - [ 0.0000004100000000, 0.0000002400000000, -0.0000465800000000 ] - [ 0.0000003300000000, 0.0000006100000000, 0.0003292300000000 ] - [ 0.0000001700000000, 0.0000005100000000, -0.0000024500000000 ] - [ 0.0000000200000000, 0.0000005600000000, -0.0003129500000000 ] - [ -0.0000003700000000, 0.0000005100000000, 0.0000345300000000 ] - [ 0.0000004600000000, 0.0000002900000000, -0.0005791100000000 ] - [ -0.0000008300000000, 0.0000005100000000, 0.0000003800000000 ] - [ 0.0000007500000000, 0.0000006100000000, 0.0002136900000000 ] - [ -0.0000001600000000, 0.0000005000000000, 0.0001008500000000 ] - [ 0.0000001500000000, 0.0000006100000000, -0.0000546800000000 ] - [ 0.0000010200000000, 0.0000003100000000, -0.0000353600000000 ] - [ 0.0000006700000000, 0.0000004300000000, 0.0001092600000000 ] - [ -0.0000008700000000, 0.0000003000000000, -0.0002289600000000 ] - [ -0.0000000600000000, 0.0000003000000000, -0.0003922400000000 ] - [ 0.0000006700000000, 0.0000004300000000, 0.0004378500000000 ] - [ -0.0000000300000000, 0.0000004300000000, 0.0000343000000000 ] - [ -0.0000004400000000, 0.0000002800000000, -0.0003430300000000 ] - [ -0.0000014100000000, 0.0000003000000000, -0.0001298900000000 ] - [ 0.0000003300000000, 0.0000005300000000, -0.0004829700000000 ] - [ -0.0000003300000000, 0.0000006200000000, 0.0000739100000000 ] - [ -0.0000009500000000, 0.0000003300000000, 0.0000873300000000 ] - [ -0.0000005400000000, 0.0000005200000000, -0.0005491800000000 ] - [ 0.0000000800000000, 0.0000004300000000, -0.0002418100000000 ] - [ 0.0000017300000000, 0.0000004000000000, -0.0004548600000000 ] - [ 0.0000005400000000, 0.0000004300000000, 0.0000305500000000 ] - [ -0.0000006300000000, 0.0000005300000000, -0.0002174900000000 ] - [ 0.0000000400000000, 0.0000006000000000, 0.0002628700000000 ] - [ 0.0000001900000000, 0.0000004300000000, -0.0001409700000000 ] - [ -0.0000013200000000, 0.0000003100000000, 0.0001192100000000 ] - [ -0.0000747200000000, 0.0000010500000000, -0.0001461300000000 ] - [ 0.0000007100000000, 0.0000005200000000, -0.0002647100000000 ] - [ 0.0000001600000000, 0.0000006100000000, -0.0000559200000000 ] - [ 0.0000011600000000, 0.0000003100000000, -0.0002039800000000 ] - [ 0.0000006200000000, 0.0000006000000000, 0.0004804400000000 ] - [ 0.0109700300000000, 0.0002050400000000, 0.0001565000000000 ] - [ -0.0000299600000000, 0.0000002400000000, -0.0001519800000000 ] - [ -0.0000006200000000, 0.0000005200000000, -0.0002488100000000 ] - [ 0.0000217200000000, 0.0000005700000000, 0.0002095300000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001230600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006759500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003888800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006033400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003866500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005051900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004140200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001057000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005501100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002946400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001475500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008082100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006869300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002854200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009577500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007327500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008080800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000581100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002467800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007559600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0611743000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001920600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005013600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005732300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002220800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004503600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002586600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001028600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001331800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002832500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000748300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0303871700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000187000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002826500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002615200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000858500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001353600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002458700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001269300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002026800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005127300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001649200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007814500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001997200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000116100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000984400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002559000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002336400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000927500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004289100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005931100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002365700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001673700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005425900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003307400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006820500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001285700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001160200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007500700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004440800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006567700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001711200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004172800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000613100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003424300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000836900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000294300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004639500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002588100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004034900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002783700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0303703600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003702600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004490800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000030300000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0009252200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001261400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004139100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001956300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004125900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002998100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003850100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006960800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003509300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005048600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006550100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000091800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001179500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005198000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001586000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000666400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000086900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007417800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005506400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000485400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0613393600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006101400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003995900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002241000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005769900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000487200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001811600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003030900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002723800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001193700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004771500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0302101600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003878400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001155200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006660400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004913200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005385500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001507600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005323800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001956100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001157700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002321600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003793300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001987500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004166700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002983500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001479300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001609800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003122300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000313300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001938700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006396500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002369900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001461100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000689500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002861400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002776600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002888700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003506800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000385400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002552600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002333600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000198600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004651800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000615700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003201600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002630300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000678500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001485100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000068000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006832600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0303395400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000638600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000508100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004230800000000 ]- atom: 22 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000009500000000, 0.0000003800000000, -0.0005237800000000 ] - [ 0.0000022800000000, -0.0000000700000000, 0.0002751300000000 ] - [ 0.0000021300000000, -0.0000000800000000, -0.0000126100000000 ] - [ -0.0000003000000000, 0.0000004300000000, 0.0002038300000000 ] - [ -0.0000007000000000, 0.0000004300000000, -0.0000130000000000 ] - [ 0.0000004700000000, -0.0000001100000000, 0.0001025500000000 ] - [ 0.0000011900000000, -0.0000000900000000, 0.0000144100000000 ] - [ 0.0000021500000000, -0.0000000900000000, -0.0002953700000000 ] - [ 0.0000010500000000, 0.0000003900000000, 0.0000993600000000 ] - [ 0.0000352400000000, 0.0000003300000000, -0.0001049500000000 ] - [ 0.0000011600000000, -0.0000000800000000, -0.0002539600000000 ] - [ 0.0000008800000000, -0.0000000900000000, 0.0004085800000000 ] - [ 0.0000004200000000, -0.0000001100000000, 0.0002845800000000 ] - [ 0.0000003900000000, -0.0000000700000000, -0.0001170400000000 ] - [ 0.0000000400000000, 0.0000004400000000, 0.0005582100000000 ] - [ -0.0000004200000000, 0.0000003900000000, 0.0003329700000000 ] - [ -0.0000000200000000, 0.0000004200000000, 0.0004083400000000 ] - [ 0.0000006900000000, 0.0000003900000000, -0.0003418400000000 ] - [ -0.0000005500000000, 0.0000003900000000, -0.0001519700000000 ] - [ 0.0000023300000000, -0.0000001200000000, 0.0003537100000000 ] - [ 0.0000020900000000, -0.0000000900000000, 0.0000591500000000 ] - [ -0.0215223800000000, -0.0000246400000000, -0.0002046300000000 ] - [ 0.0000006300000000, 0.0000004100000000, 0.0000508300000000 ] - [ -0.0000004600000000, 0.0000004300000000, 0.0001745900000000 ] - [ 0.0000352700000000, 0.0000001100000000, -0.0001776600000000 ] - [ -0.0000001800000000, 0.0000005300000000, -0.0002502700000000 ] - [ 0.0000005600000000, 0.0000005300000000, 0.0002217300000000 ] - [ 0.0000006900000000, 0.0000005400000000, 0.0000994700000000 ] - [ 0.0107345700000000, -0.0002038100000000, -0.0001783500000000 ] - [ 0.0000216700000000, 0.0000005000000000, -0.0000826200000000 ] - [ 0.0000006200000000, 0.0000003600000000, 0.0002755500000000 ] - [ 0.0000010000000000, 0.0000003500000000, 0.0001959200000000 ] - [ 0.0000017600000000, 0.0000003600000000, 0.0001843000000000 ] - [ 0.0000000400000000, 0.0000004200000000, -0.0000825400000000 ] - [ -0.0000002700000000, 0.0000005300000000, 0.0004633900000000 ] - [ -0.0000002500000000, 0.0000003600000000, 0.0002882600000000 ] - [ 0.0000002900000000, 0.0000003500000000, 0.0003366800000000 ] - [ -0.0000001400000000, 0.0000001700000000, -0.0000464800000000 ] - [ 0.0000001000000000, 0.0000005400000000, 0.0003292300000000 ] - [ -0.0000002100000000, 0.0000004400000000, -0.0000023500000000 ] - [ 0.0000006700000000, 0.0000004800000000, -0.0003128400000000 ] - [ -0.0000003100000000, 0.0000004400000000, 0.0000346200000000 ] - [ 0.0000011300000000, 0.0000002200000000, -0.0005790000000000 ] - [ 0.0000001300000000, 0.0000004400000000, 0.0000004500000000 ] - [ 0.0000001200000000, 0.0000005300000000, 0.0002136800000000 ] - [ 0.0000000600000000, 0.0000004300000000, 0.0001009200000000 ] - [ -0.0000001700000000, 0.0000005300000000, -0.0000546900000000 ] - [ 0.0000016200000000, 0.0000002300000000, -0.0000352700000000 ] - [ -0.0000003300000000, 0.0000003700000000, 0.0001092300000000 ] - [ -0.0000299100000000, 0.0000001700000000, -0.0002288000000000 ] - [ -0.0000748400000000, 0.0000009700000000, -0.0003922700000000 ] - [ 0.0000004000000000, 0.0000003700000000, 0.0004378800000000 ] - [ -0.0000004500000000, 0.0000003600000000, 0.0000342500000000 ] - [ -0.0000009400000000, 0.0000002100000000, -0.0003429000000000 ] - [ -0.0000010000000000, 0.0000002300000000, -0.0001298100000000 ] - [ -0.0000006600000000, 0.0000004600000000, -0.0004828500000000 ] - [ -0.0001883300000000, 0.0000006000000000, 0.0000743700000000 ] - [ -0.0000005900000000, 0.0000002500000000, 0.0000874200000000 ] - [ -0.0000006600000000, 0.0000004500000000, -0.0005490600000000 ] - [ -0.0000000800000000, 0.0000003600000000, -0.0002418300000000 ] - [ 0.0000002100000000, 0.0000003400000000, -0.0004547600000000 ] - [ -0.0000005400000000, 0.0000003600000000, 0.0000305200000000 ] - [ -0.0000004200000000, 0.0000004500000000, -0.0002174100000000 ] - [ 0.0000010100000000, 0.0000005300000000, 0.0002628600000000 ] - [ 0.0000006200000000, 0.0000003500000000, -0.0001410000000000 ] - [ -0.0000000200000000, 0.0000002400000000, 0.0001192900000000 ] - [ 0.0000009800000000, 0.0000002400000000, -0.0001458700000000 ] - [ 0.0109710500000000, 0.0002050000000000, -0.0000172600000000 ] - [ -0.0000003700000000, 0.0000005400000000, -0.0000559500000000 ] - [ -0.0000015000000000, 0.0000002300000000, -0.0002038800000000 ] - [ 0.0000001700000000, 0.0000005400000000, 0.0004804500000000 ] - [ -0.0000008800000000, 0.0000004400000000, -0.0000907100000000 ] - [ -0.0000013900000000, 0.0000002300000000, -0.0001519300000000 ] - [ 0.0000001100000000, 0.0000004500000000, -0.0002487100000000 ] - [ 0.0000002700000000, 0.0000005400000000, 0.0002094800000000 ]- atom: 22 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001218500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006800000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003889700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006043500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003877700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005039100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004159300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001056800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004998900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003465900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001472000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008091400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006858200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002853600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009583500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007328500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008094500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000588600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002487600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007591900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004612600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0615163400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004515300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005743700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002741300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004513700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000207500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001015100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302619900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002940000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000753300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000042900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000151400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002812000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002621200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000863100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001359200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002461200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001280600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002008400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005112400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001644100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007780700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001982700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000128700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000979700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002543000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002338400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000920300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004466500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002743400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002354800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001653000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005417800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003323200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006817200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001112300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001113000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007485200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004423800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006579800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001704900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004160900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000631200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003418500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000804000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003435000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301994600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002572300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004035400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002795800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002899000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003539100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004479900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000083800000000 ]- atom: 22 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0009261000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001292900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004140500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001963300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004133400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002982600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003874900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006957100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003008300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005561100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006546100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000080000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001161700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005191500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001583600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000664000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000076600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007421900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005522700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000512900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003427000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0611200200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003495300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002249100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006286700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000470400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004242300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003022900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0303381300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001304700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004770000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003974100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003847600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001141800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006659800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004913800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005385400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001512800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005317400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001941000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001172100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002318900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003827600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001973800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004158700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002979700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001470200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001612500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003120100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000134000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005096900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006413900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002355000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001466800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000706500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002863800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000334900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002843000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003521500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000396200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002540800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002333100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000209100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004637700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000617200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003170300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000494600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0305160900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001474600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000066300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006826200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001064600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000478800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000519300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004122400000000 ]- atom: 23 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000008600000000, 0.0000000600000000, -0.0005237600000000 ] - [ 0.0000005500000000, -0.0000003900000000, 0.0002751300000000 ] - [ -0.0000007400000000, -0.0000004000000000, -0.0000126200000000 ] - [ 0.0000003900000000, 0.0000001200000000, 0.0002038400000000 ] - [ -0.0000005800000000, 0.0000001000000000, -0.0000129300000000 ] - [ 0.0000352600000000, -0.0000001300000000, 0.0001024400000000 ] - [ -0.0000006100000000, -0.0000004200000000, 0.0000144900000000 ] - [ -0.0000000300000000, -0.0000004000000000, -0.0002953400000000 ] - [ -0.0000005100000000, 0.0000000800000000, 0.0000993100000000 ] - [ -0.0000013600000000, 0.0000001100000000, -0.0001050700000000 ] - [ 0.0000009200000000, -0.0000003800000000, -0.0002539100000000 ] - [ 0.0000009600000000, -0.0000004000000000, 0.0004085800000000 ] - [ -0.0000004700000000, -0.0000004200000000, 0.0002845700000000 ] - [ -0.0000006000000000, -0.0000003900000000, -0.0001169800000000 ] - [ -0.0000007700000000, 0.0000001200000000, 0.0005582400000000 ] - [ -0.0000012800000000, 0.0000000800000000, 0.0003329600000000 ] - [ 0.0000003400000000, 0.0000001100000000, 0.0004083400000000 ] - [ 0.0000005900000000, 0.0000000700000000, -0.0003417800000000 ] - [ 0.0000004200000000, 0.0000000700000000, -0.0001519000000000 ] - [ -0.0000000500000000, -0.0000004400000000, 0.0003537300000000 ] - [ 0.0000352700000000, -0.0000003200000000, 0.0000592900000000 ] - [ 0.0000006200000000, -0.0000003900000000, -0.0002087700000000 ] - [ -0.0214563500000000, 0.0000005400000000, 0.0000533100000000 ] - [ 0.0000005800000000, 0.0000001200000000, 0.0001746100000000 ] - [ 0.0000003900000000, 0.0000000800000000, -0.0001774000000000 ] - [ -0.0000010700000000, 0.0000002200000000, -0.0002502300000000 ] - [ -0.0000016600000000, 0.0000002300000000, 0.0002217800000000 ] - [ -0.0000005800000000, 0.0000002200000000, 0.0000995000000000 ] - [ -0.0000009600000000, 0.0000000400000000, 0.0000690300000000 ] - [ -0.0000017300000000, 0.0000002100000000, -0.0000826000000000 ] - [ 0.0000001100000000, 0.0000000400000000, 0.0002756200000000 ] - [ -0.0001892100000000, -0.0000000200000000, 0.0001964500000000 ] - [ -0.0000004800000000, 0.0000000400000000, 0.0001843300000000 ] - [ 0.0000003300000000, 0.0000000900000000, -0.0000825300000000 ] - [ -0.0000014500000000, 0.0000002100000000, 0.0004634300000000 ] - [ -0.0000003100000000, 0.0000000400000000, 0.0002883100000000 ] - [ -0.0000000200000000, 0.0000000400000000, 0.0003367200000000 ] - [ -0.0000006000000000, -0.0000001500000000, -0.0000464900000000 ] - [ -0.0000002000000000, 0.0000002300000000, 0.0003292800000000 ] - [ -0.0000027600000000, 0.0000001200000000, -0.0000023200000000 ] - [ -0.0000017400000000, 0.0000001600000000, -0.0003128600000000 ] - [ -0.0000002900000000, 0.0000001200000000, 0.0000346600000000 ] - [ -0.0000002500000000, -0.0000001000000000, -0.0005790200000000 ] - [ -0.0000026600000000, 0.0000001200000000, 0.0000005000000000 ] - [ -0.0000015200000000, 0.0000002100000000, 0.0002137500000000 ] - [ -0.0000022900000000, 0.0000001200000000, 0.0001009500000000 ] - [ -0.0000009100000000, 0.0000002200000000, -0.0000546500000000 ] - [ -0.0000014000000000, -0.0000000700000000, -0.0000352500000000 ] - [ 0.0000211000000000, 0.0000000800000000, 0.0001092600000000 ] - [ -0.0000011900000000, -0.0000000800000000, -0.0002288900000000 ] - [ 0.0000001300000000, -0.0000000900000000, -0.0003921600000000 ] - [ -0.0000004700000000, 0.0000000500000000, 0.0004379000000000 ] - [ -0.0000007500000000, 0.0000000500000000, 0.0000342900000000 ] - [ -0.0000011300000000, -0.0000001000000000, -0.0003429400000000 ] - [ -0.0000009300000000, -0.0000000800000000, -0.0001297700000000 ] - [ -0.0000013500000000, 0.0000001400000000, -0.0004828900000000 ] - [ -0.0000012800000000, 0.0000002200000000, 0.0000739200000000 ] - [ -0.0000008100000000, -0.0000000600000000, 0.0000874400000000 ] - [ -0.0000008400000000, 0.0000001400000000, -0.0005490900000000 ] - [ 0.0000008500000000, 0.0000000500000000, -0.0002417900000000 ] - [ -0.0000003200000000, 0.0000000200000000, -0.0004547500000000 ] - [ -0.0000004800000000, 0.0000000400000000, 0.0000305800000000 ] - [ -0.0000761400000000, -0.0000005900000000, -0.0002175800000000 ] - [ -0.0000007200000000, 0.0000002200000000, 0.0002629200000000 ] - [ 0.0000004300000000, 0.0000000500000000, -0.0001409700000000 ] - [ -0.0000007100000000, -0.0000000700000000, 0.0001193100000000 ] - [ 0.0109685400000000, -0.0002046100000000, 0.0001014400000000 ] - [ -0.0000021900000000, 0.0000001300000000, -0.0002646300000000 ] - [ -0.0000011600000000, 0.0000002200000000, -0.0000559000000000 ] - [ -0.0000011900000000, -0.0000000900000000, -0.0002039000000000 ] - [ -0.0000005800000000, 0.0000002200000000, 0.0004804800000000 ] - [ -0.0000312300000000, 0.0000001700000000, -0.0000906000000000 ] - [ -0.0000004000000000, -0.0000000800000000, -0.0001519000000000 ] - [ -0.0000001400000000, 0.0000001400000000, -0.0002487300000000 ] - [ 0.0107325100000000, 0.0002043700000000, -0.0000377800000000 ]- atom: 23 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001217900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006759200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003882000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006056300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003884000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005541900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004152500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001058600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005006800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002971700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001466900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008092200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006843900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002828600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009586400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007348500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008104800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000631100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002503200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007549000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005110500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001920400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0612666300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005796100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002239400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004503000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000223900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001011800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001323000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002834500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000745400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002334700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000168000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002809500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002617600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000870800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001356600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002447800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001292400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002018300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005114100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001627000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007772900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002012800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000125400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001013800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002542300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002343900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001021700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004282500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005903500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002371000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001668700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005428700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003283800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006828000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001264100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001115300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007503200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004409100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006558700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001711900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000990300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000622100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003404600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000790600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0303167300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004632800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002566800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004026100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002804400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003081700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003511400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004475900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0304021100000000 ]- atom: 23 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0009261900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001253700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004130800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001975300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004135800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003487600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003860500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006960800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003021700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005072700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006542900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000082900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001149500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005164900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001578000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000680000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000065200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007462000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005540200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000468500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003918600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006093800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0613863600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002299900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005782800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000483500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004226100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003017300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002719000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001200200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004777000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001543600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003863400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001141200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006662200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004904500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005386100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001500800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005304000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001953300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001167000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002303800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003830900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002006000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004160600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003016700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001465800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001621300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003218800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000316700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001961700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006395200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002369800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001454300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000669400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002851100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002758900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002847600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003501000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000412700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002557000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002338400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003352800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004647200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000599800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003159400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0303953600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000680300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001466800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000070900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006815900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001251000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000450900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000520500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301973300000000 ]- atom: 24 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000006500000000, 0.0000000700000000, -0.0005239400000000 ] - [ 0.0000005000000000, -0.0000004000000000, 0.0002750500000000 ] - [ 0.0000008200000000, -0.0000003900000000, -0.0000127000000000 ] - [ -0.0000007100000000, 0.0000001100000000, 0.0002037800000000 ] - [ -0.0000009500000000, 0.0000001000000000, -0.0000131300000000 ] - [ -0.0000001500000000, -0.0000004300000000, 0.0001024200000000 ] - [ -0.0000004600000000, -0.0000004200000000, 0.0000143100000000 ] - [ -0.0000018200000000, -0.0000004000000000, -0.0002955300000000 ] - [ 0.0000003300000000, 0.0000000800000000, 0.0000992600000000 ] - [ -0.0000014900000000, 0.0000001100000000, -0.0001052700000000 ] - [ -0.0000003300000000, -0.0000003800000000, -0.0002541000000000 ] - [ -0.0000007400000000, -0.0000004200000000, 0.0004085100000000 ] - [ 0.0000352300000000, -0.0000001400000000, 0.0002843600000000 ] - [ -0.0000016200000000, -0.0000004000000000, -0.0001171700000000 ] - [ -0.0000006400000000, 0.0000001200000000, 0.0005580300000000 ] - [ 0.0000002900000000, 0.0000000700000000, 0.0003328900000000 ] - [ -0.0000014200000000, 0.0000001000000000, 0.0004082600000000 ] - [ 0.0000000800000000, 0.0000000700000000, -0.0003419800000000 ] - [ 0.0000005800000000, 0.0000000600000000, -0.0001521000000000 ] - [ 0.0000352700000000, -0.0000003500000000, 0.0003536700000000 ] - [ -0.0000006900000000, -0.0000004100000000, 0.0000590600000000 ] - [ -0.0000006500000000, -0.0000003900000000, -0.0002089700000000 ] - [ 0.0000004800000000, 0.0000001000000000, 0.0000507300000000 ] - [ -0.0214570700000000, 0.0000006800000000, 0.0001873800000000 ] - [ 0.0000005300000000, 0.0000000800000000, -0.0001776000000000 ] - [ -0.0000004400000000, 0.0000002200000000, -0.0002503500000000 ] - [ -0.0000011700000000, 0.0000002200000000, 0.0002216100000000 ] - [ -0.0000008200000000, 0.0000002100000000, 0.0000993700000000 ] - [ -0.0000012500000000, 0.0000000400000000, 0.0000689100000000 ] - [ -0.0000008900000000, 0.0000002200000000, -0.0000827400000000 ] - [ 0.0000003200000000, 0.0000000500000000, 0.0002754300000000 ] - [ 0.0000007500000000, 0.0000000400000000, 0.0001958000000000 ] - [ -0.0001901400000000, -0.0000000400000000, 0.0001846100000000 ] - [ -0.0000314700000000, 0.0000001400000000, -0.0000826000000000 ] - [ 0.0107309900000000, 0.0002043400000000, 0.0002159900000000 ] - [ -0.0000010600000000, 0.0000000300000000, 0.0002881300000000 ] - [ -0.0000008600000000, 0.0000000400000000, 0.0003365500000000 ] - [ -0.0000008700000000, -0.0000001600000000, -0.0000466200000000 ] - [ -0.0000013800000000, 0.0000002200000000, 0.0003291000000000 ] - [ -0.0000014700000000, 0.0000001200000000, -0.0000024900000000 ] - [ -0.0000010500000000, 0.0000001600000000, -0.0003129800000000 ] - [ -0.0000023100000000, 0.0000001200000000, 0.0000344700000000 ] - [ 0.0000003500000000, -0.0000001100000000, -0.0005791300000000 ] - [ -0.0000002400000000, 0.0000001300000000, 0.0000003000000000 ] - [ -0.0000018300000000, 0.0000002100000000, 0.0002135600000000 ] - [ -0.0000764500000000, -0.0000006200000000, 0.0001005700000000 ] - [ -0.0000017600000000, 0.0000002200000000, -0.0000547800000000 ] - [ -0.0000012900000000, -0.0000000800000000, -0.0000354300000000 ] - [ -0.0000005900000000, 0.0000000400000000, 0.0001091300000000 ] - [ -0.0000005600000000, -0.0000000900000000, -0.0002290000000000 ] - [ 0.0000007800000000, -0.0000001000000000, -0.0003922600000000 ] - [ 0.0000210600000000, 0.0000000800000000, 0.0004377200000000 ] - [ -0.0000007100000000, 0.0000000500000000, 0.0000341500000000 ] - [ -0.0000010400000000, -0.0000001100000000, -0.0003430400000000 ] - [ 0.0000000300000000, -0.0000000900000000, -0.0001299400000000 ] - [ -0.0000029100000000, 0.0000001400000000, -0.0004829900000000 ] - [ -0.0000009000000000, 0.0000002200000000, 0.0000737800000000 ] - [ 0.0109762300000000, -0.0002046900000000, 0.0003346800000000 ] - [ 0.0000004700000000, 0.0000001300000000, -0.0005491900000000 ] - [ 0.0000000000000000, 0.0000000500000000, -0.0002419000000000 ] - [ 0.0000005200000000, 0.0000005800000000, -0.0004542300000000 ] - [ -0.0000013100000000, 0.0000000300000000, 0.0000304600000000 ] - [ -0.0000018700000000, 0.0000001300000000, -0.0002175400000000 ] - [ -0.0000003200000000, 0.0000002200000000, 0.0002628000000000 ] - [ -0.0000003800000000, 0.0000000300000000, -0.0001410900000000 ] - [ -0.0000012800000000, -0.0000000800000000, 0.0001191400000000 ] - [ -0.0000012200000000, -0.0000000800000000, -0.0001460100000000 ] - [ -0.0000012600000000, 0.0000001300000000, -0.0002647400000000 ] - [ -0.0000007100000000, 0.0000002100000000, -0.0000560200000000 ] - [ -0.0000006700000000, -0.0000001000000000, -0.0002040100000000 ] - [ -0.0000001600000000, 0.0000000100000000, 0.0004799900000000 ] - [ -0.0000009600000000, 0.0000001200000000, -0.0000908500000000 ] - [ -0.0000003500000000, -0.0000000900000000, -0.0001520700000000 ] - [ -0.0000009700000000, 0.0000001300000000, -0.0002488300000000 ] - [ -0.0000012700000000, 0.0000002200000000, 0.0002093800000000 ]- atom: 24 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001216600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006755400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003876000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006049400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003870400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005032300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004145800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001040000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005008700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002963200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001461300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008089400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007358700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002824800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009588100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007344000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008099000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000609100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002500200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008052100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004586200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001906200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004555300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0611205700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002271600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004513800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000208700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001016600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001330800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002836000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000752800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000039300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002220300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003000800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0306526800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000860700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001346800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002460400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001280900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002021900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005127600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001639200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007771600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001982400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000119800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002211200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002536300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002345500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000933100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004293200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005896200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002255500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001667100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005428600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003279100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006837000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001274200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0305515300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007467100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004422300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006565200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001707300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004158200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000615800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003413300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000793700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003457800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004642800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002570700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004026300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002790300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002918800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003501000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004474000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000079100000000 ]- atom: 24 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0009269600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001260900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004135600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001974100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004135900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002989400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003864000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006956100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003030400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005074400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006548300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000073500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001673800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005172400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001572200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000687800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000060900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007448300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005548100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000980100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003409600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006090100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003543400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0615475000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005824500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000489200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004225300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003006500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002710300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001185300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004754000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003954000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001395700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001345200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0299421600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004899800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005383000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001511500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005300400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001957300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001148900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002317400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003830600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001974900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004151800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000187200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001437500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001623500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003116500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000304200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001966700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006495300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002350900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001452000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000665200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002839900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002752500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301626000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003533600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000415600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002544600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002316600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000208300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004642800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000593000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003165500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000520700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000668700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001454400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000070900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006815200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001086600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000444300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000519600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004110000000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000003300000000, 0.0000000700000000, -0.0005238600000000 ] - [ -0.0000001600000000, -0.0000003900000000, 0.0002750200000000 ] - [ -0.0000006000000000, -0.0000003800000000, -0.0000127500000000 ] - [ -0.0000014100000000, 0.0000001200000000, 0.0002037300000000 ] - [ -0.0000013800000000, 0.0000001100000000, -0.0000131800000000 ] - [ 0.0000005500000000, -0.0000004200000000, 0.0001023900000000 ] - [ -0.0000007700000000, -0.0000004100000000, 0.0000142700000000 ] - [ 0.0000006200000000, -0.0000004000000000, -0.0002954500000000 ] - [ 0.0000003100000000, 0.0000000900000000, 0.0000992100000000 ] - [ -0.0000007500000000, 0.0000001200000000, -0.0001053100000000 ] - [ 0.0000351200000000, -0.0000000900000000, -0.0002542000000000 ] - [ -0.0000004000000000, -0.0000004000000000, 0.0004084700000000 ] - [ -0.0000005600000000, -0.0000004200000000, 0.0002844600000000 ] - [ -0.0000006900000000, -0.0000004000000000, -0.0001170900000000 ] - [ 0.0000005800000000, 0.0000001300000000, 0.0005581400000000 ] - [ 0.0000006300000000, 0.0000000800000000, 0.0003328400000000 ] - [ -0.0000009800000000, 0.0000001100000000, 0.0004082300000000 ] - [ -0.0000013500000000, 0.0000000800000000, -0.0003418800000000 ] - [ -0.0000007100000000, 0.0000000700000000, -0.0001520000000000 ] - [ -0.0000001300000000, -0.0000004300000000, 0.0003536300000000 ] - [ 0.0000009200000000, -0.0000004000000000, 0.0000590200000000 ] - [ 0.0000351700000000, -0.0000002900000000, -0.0002088300000000 ] - [ 0.0000003100000000, 0.0000001000000000, 0.0000506800000000 ] - [ 0.0000005600000000, 0.0000001200000000, 0.0001745100000000 ] - [ -0.0214559300000000, 0.0000002000000000, -0.0001650300000000 ] - [ -0.0000006600000000, 0.0000002200000000, -0.0002504500000000 ] - [ -0.0000006500000000, 0.0000002300000000, 0.0002215900000000 ] - [ -0.0000015900000000, 0.0000002200000000, 0.0000993500000000 ] - [ -0.0001893200000000, -0.0000000200000000, 0.0000693400000000 ] - [ 0.0107353100000000, 0.0002044100000000, -0.0003301400000000 ] - [ -0.0000005400000000, 0.0000000600000000, 0.0002754300000000 ] - [ -0.0000000900000000, 0.0000000500000000, 0.0001957900000000 ] - [ -0.0000008300000000, 0.0000000500000000, 0.0001841500000000 ] - [ -0.0000012200000000, 0.0000001000000000, -0.0000826500000000 ] - [ 0.0000004900000000, 0.0000002200000000, 0.0004632400000000 ] - [ -0.0000005500000000, 0.0000000500000000, 0.0002881200000000 ] - [ -0.0000004800000000, 0.0000000400000000, 0.0003365300000000 ] - [ 0.0000000300000000, -0.0000001500000000, -0.0000466100000000 ] - [ -0.0000009700000000, 0.0000002300000000, 0.0003290900000000 ] - [ -0.0000023400000000, 0.0000001300000000, -0.0000024200000000 ] - [ -0.0000022400000000, 0.0000001700000000, -0.0003129300000000 ] - [ 0.0000002800000000, 0.0000001300000000, 0.0000345500000000 ] - [ -0.0000012700000000, -0.0000001000000000, -0.0005790900000000 ] - [ -0.0000013700000000, 0.0000001300000000, 0.0000003800000000 ] - [ -0.0000015200000000, 0.0000002200000000, 0.0002135600000000 ] - [ -0.0000019400000000, 0.0000001200000000, 0.0001008500000000 ] - [ 0.0000000500000000, 0.0000002300000000, -0.0000548800000000 ] - [ -0.0000004500000000, -0.0000000700000000, -0.0000353600000000 ] - [ -0.0000003800000000, 0.0000000400000000, 0.0001091200000000 ] - [ -0.0000004700000000, -0.0000000800000000, -0.0002289200000000 ] - [ 0.0109710500000000, -0.0002046500000000, -0.0001448400000000 ] - [ -0.0000009300000000, 0.0000000500000000, 0.0004377200000000 ] - [ 0.0000000400000000, 0.0000000500000000, 0.0000341400000000 ] - [ -0.0000012600000000, -0.0000001000000000, -0.0003430200000000 ] - [ -0.0000008900000000, -0.0000000800000000, -0.0001298700000000 ] - [ -0.0000760700000000, -0.0000005800000000, -0.0004831400000000 ] - [ -0.0000017300000000, 0.0000002300000000, 0.0000737600000000 ] - [ -0.0000005000000000, -0.0000000600000000, 0.0000873200000000 ] - [ -0.0000002200000000, 0.0000001400000000, -0.0005491700000000 ] - [ -0.0000008200000000, 0.0000000600000000, -0.0002420100000000 ] - [ 0.0000000100000000, 0.0000000200000000, -0.0004548200000000 ] - [ -0.0000010300000000, 0.0000000400000000, 0.0000303400000000 ] - [ -0.0000003700000000, 0.0000001400000000, -0.0002174500000000 ] - [ -0.0000018100000000, 0.0000002200000000, 0.0002627400000000 ] - [ 0.0000210300000000, 0.0000000800000000, -0.0001411700000000 ] - [ -0.0000005100000000, -0.0000000700000000, 0.0001192100000000 ] - [ -0.0000014600000000, -0.0000000700000000, -0.0001459300000000 ] - [ -0.0000312800000000, 0.0000001900000000, -0.0002645900000000 ] - [ -0.0000013400000000, 0.0000002200000000, -0.0000561100000000 ] - [ -0.0000010100000000, -0.0000000800000000, -0.0002039300000000 ] - [ -0.0000008700000000, 0.0000002200000000, 0.0004803100000000 ] - [ -0.0000027200000000, 0.0000001300000000, -0.0000907700000000 ] - [ -0.0000007900000000, -0.0000000800000000, -0.0001520000000000 ] - [ -0.0000028200000000, 0.0000001300000000, -0.0002487400000000 ] - [ -0.0000002700000000, 0.0000002300000000, 0.0002093700000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001218900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006751800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003861700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006034100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003870500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005022300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004142100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001044800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005015300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002974200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001966200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008081100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006833800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002827100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009605000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007351700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008096500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000584500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002503800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007533100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004587500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002419800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004513300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005786300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0614210600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004518400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000208700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001025200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001060800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301106000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000738300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000059800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000172900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002841000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002632500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000862200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001348500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002453900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001277900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002058900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005129900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001649000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007791500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002002500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000110200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000988600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002544600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002351300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000928200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004292500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0300697300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002356500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001676400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005433900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003300800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003670500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001263900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001122100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007486400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004440400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006571400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001716600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004158300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000607000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003531900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000807200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003462900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004834700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002571000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004036600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002773000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002938000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003515000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004495800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000086200000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0009269100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001250600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004114800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001961700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004134400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002972800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003853500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006950900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003032000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005076400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007045600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000089500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001143800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005167700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001555700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000690600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000073300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007417400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005543600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000456700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003404400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006592600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003491500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002290600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0611155700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000468200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004238200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003028700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000287600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0304897800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004782200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003987600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003865900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001165800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006645600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004911600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005393400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001502100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005317200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001987400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001157800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002318300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003819900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001988700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004174300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002985000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001468500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001621400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003124500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000314700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0306424500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006408500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002374900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001455800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000680100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005994700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002757900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002847900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003524900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000382300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002552600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002342000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000215800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004658500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000724500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003169500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000518600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000488900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001470400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000069200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006846300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001098500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000450200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000505100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004116700000000 ]- atom: 26 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000003500000000, 0.0000000400000000, -0.0005237500000000 ] - [ 0.0000009100000000, -0.0000004200000000, 0.0002751600000000 ] - [ 0.0000004500000000, -0.0000004200000000, -0.0000125800000000 ] - [ -0.0000000100000000, 0.0000000900000000, 0.0002038600000000 ] - [ -0.0000005300000000, 0.0000000800000000, -0.0000129900000000 ] - [ 0.0000013900000000, -0.0000004400000000, 0.0001025700000000 ] - [ 0.0000003900000000, -0.0000004400000000, 0.0000144600000000 ] - [ 0.0000005800000000, -0.0000004300000000, -0.0002953500000000 ] - [ 0.0000000400000000, 0.0000000500000000, 0.0000993900000000 ] - [ -0.0000003000000000, 0.0000000800000000, -0.0001051000000000 ] - [ 0.0000231000000000, -0.0000005100000000, -0.0002538300000000 ] - [ 0.0000008400000000, -0.0000004300000000, 0.0004086100000000 ] - [ 0.0000006000000000, -0.0000004500000000, 0.0002846000000000 ] - [ -0.0001887600000000, 0.0000016400000000, -0.0001179200000000 ] - [ 0.0000004100000000, 0.0000000900000000, 0.0005582500000000 ] - [ -0.0000001400000000, 0.0000000500000000, 0.0003329900000000 ] - [ 0.0000000900000000, 0.0000000800000000, 0.0004083700000000 ] - [ 0.0000006400000000, 0.0000000500000000, -0.0003418000000000 ] - [ 0.0107370000000000, -0.0002056700000000, 0.0000884400000000 ] - [ 0.0000012000000000, -0.0000004600000000, 0.0003537500000000 ] - [ 0.0000011500000000, -0.0000004300000000, 0.0000591900000000 ] - [ 0.0000012600000000, -0.0000004100000000, -0.0002088000000000 ] - [ 0.0000001300000000, 0.0000000700000000, 0.0000508600000000 ] - [ 0.0000003300000000, 0.0000000900000000, 0.0001746300000000 ] - [ -0.0000003200000000, 0.0000000600000000, -0.0001774300000000 ] - [ -0.0121670800000000, 0.0001635000000000, -0.0005044300000000 ] - [ 0.0000007900000000, 0.0000002000000000, 0.0002218700000000 ] - [ 0.0000009400000000, 0.0000001900000000, 0.0000996100000000 ] - [ -0.0000007800000000, 0.0000000200000000, 0.0000691600000000 ] - [ 0.0000005500000000, 0.0000001900000000, -0.0000824900000000 ] - [ 0.0000001200000000, 0.0000000200000000, 0.0002756900000000 ] - [ 0.0000005600000000, 0.0000000200000000, 0.0001960700000000 ] - [ 0.0000009400000000, 0.0000000200000000, 0.0001844300000000 ] - [ -0.0000002700000000, 0.0000000700000000, -0.0000825600000000 ] - [ 0.0000002400000000, 0.0000001900000000, 0.0004635200000000 ] - [ 0.0000003200000000, 0.0000000200000000, 0.0002884100000000 ] - [ 0.0000010600000000, 0.0000000100000000, 0.0003368100000000 ] - [ 0.0000005600000000, -0.0000001700000000, -0.0000464900000000 ] - [ -0.0000003700000000, 0.0000002000000000, 0.0003293800000000 ] - [ -0.0000002300000000, 0.0000001000000000, -0.0000023800000000 ] - [ -0.0000003900000000, 0.0000001400000000, -0.0003128800000000 ] - [ -0.0000003800000000, 0.0000001000000000, 0.0000345900000000 ] - [ 0.0008232400000000, 0.0000522000000000, -0.0005558000000000 ] - [ -0.0000003500000000, 0.0000001000000000, 0.0000004300000000 ] - [ 0.0000002000000000, 0.0000001900000000, 0.0002138200000000 ] - [ -0.0000007100000000, 0.0000000900000000, 0.0001009000000000 ] - [ -0.0000003900000000, 0.0000001900000000, -0.0000545300000000 ] - [ 0.0000005200000000, -0.0000001000000000, -0.0000353000000000 ] - [ 0.0000003300000000, 0.0000000200000000, 0.0001093800000000 ] - [ 0.0000006000000000, -0.0000001100000000, -0.0002288900000000 ] - [ 0.0000000000000000, -0.0000001200000000, -0.0003921700000000 ] - [ 0.0000006700000000, 0.0000000200000000, 0.0004380000000000 ] - [ -0.0000000200000000, 0.0000000200000000, 0.0000344000000000 ] - [ -0.0000022400000000, -0.0000001600000000, -0.0003429300000000 ] - [ 0.0000006600000000, -0.0000001100000000, -0.0001298300000000 ] - [ -0.0000000500000000, 0.0000002600000000, -0.0004829100000000 ] - [ 0.0000011100000000, 0.0000002000000000, 0.0000740200000000 ] - [ 0.0000004800000000, -0.0000000800000000, 0.0000874000000000 ] - [ 0.0008997700000000, -0.0000110600000000, -0.0005570300000000 ] - [ -0.0000716400000000, 0.0000000400000000, -0.0002419700000000 ] - [ 0.0000005800000000, 0.0000000300000000, -0.0004544300000000 ] - [ -0.0000007800000000, 0.0000000200000000, 0.0000306500000000 ] - [ -0.0000007700000000, 0.0000001100000000, -0.0002174300000000 ] - [ 0.0000010600000000, 0.0000001900000000, 0.0002629600000000 ] - [ -0.0000716300000000, 0.0000008100000000, -0.0001404000000000 ] - [ 0.0000003500000000, -0.0000000900000000, 0.0001192700000000 ] - [ 0.0000001500000000, -0.0000001000000000, -0.0001459000000000 ] - [ 0.0000000200000000, 0.0000001000000000, -0.0002646400000000 ] - [ 0.0000006300000000, 0.0000001900000000, -0.0000558100000000 ] - [ 0.0000005300000000, -0.0000001100000000, -0.0002039200000000 ] - [ 0.0000003200000000, 0.0000001900000000, 0.0004805800000000 ] - [ -0.0000002700000000, 0.0000001000000000, -0.0000907400000000 ] - [ 0.0000004700000000, -0.0000001100000000, -0.0001519700000000 ] - [ -0.0000000700000000, 0.0000001100000000, -0.0002487300000000 ] - [ 0.0000005400000000, 0.0000001900000000, 0.0002096300000000 ]- atom: 26 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007259200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000729900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002149600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000015800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002153500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000990700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001879200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004978500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001025600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003069800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004659200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002066200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000828000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000812500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003574200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001308600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002064400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005419100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302605000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001514000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001424100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004110300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001509300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000269800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003795100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0427344900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003200500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001977600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001662600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000163800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003728000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002948700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002829000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000217100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005621600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003861300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004349900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000572700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004266800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001024500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002092600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001396200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0095899000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001051100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003116500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002049800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000413700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000695100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002077600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001242900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002881900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005359400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001312600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002399800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000248000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003845300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001716800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001922700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011175400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000918400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003467800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001284900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001133800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003617800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000081500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002237800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000411900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001595400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000432100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000988800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005798100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000140300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000472300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001438300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003079300000000 ]- atom: 26 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003206600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004775000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001900100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004064000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001897800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003044900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002170900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000929900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003016300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000972500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000412000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006110400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004866000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001569500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007602600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005356800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006107000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001408300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0303385800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005559700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002612600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000062600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002529900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003769200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000248400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0418725700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001193800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000027500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000322900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001847700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001740100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000927000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000817300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001827900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003603700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001860200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002339200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001469500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002275100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001030400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004130200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000660800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0105602200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000999200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001114900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000012300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001553100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001357900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000064800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003297000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004926400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003352300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000667500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004427600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002307800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005779300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000277200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000133500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022600900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003961200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005566300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000710300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003173700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001606100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002939900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000188700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002466500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003657600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001583300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003049800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003769700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001912900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002526300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003496500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001070800000000 ]- atom: 27 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000003800000000, 0.0000000400000000, -0.0005237300000000 ] - [ 0.0000012500000000, -0.0000004200000000, 0.0002751900000000 ] - [ 0.0000231000000000, -0.0000005200000000, -0.0000124600000000 ] - [ -0.0000005300000000, 0.0000000900000000, 0.0002038800000000 ] - [ -0.0000003200000000, 0.0000000800000000, -0.0000129600000000 ] - [ 0.0000005700000000, -0.0000004600000000, 0.0001025900000000 ] - [ 0.0000012800000000, -0.0000004400000000, 0.0000144700000000 ] - [ 0.0000007800000000, -0.0000004300000000, -0.0002953200000000 ] - [ 0.0107325400000000, -0.0002056000000000, 0.0003397200000000 ] - [ 0.0000002800000000, 0.0000000700000000, -0.0001050800000000 ] - [ 0.0000007600000000, -0.0000004200000000, -0.0002539100000000 ] - [ 0.0000003700000000, -0.0000004400000000, 0.0004086300000000 ] - [ 0.0000013800000000, -0.0000004500000000, 0.0002846200000000 ] - [ 0.0000010700000000, -0.0000004300000000, -0.0001169600000000 ] - [ 0.0000000700000000, 0.0000000900000000, 0.0005582700000000 ] - [ -0.0000002900000000, 0.0000000500000000, 0.0003330200000000 ] - [ -0.0000002800000000, 0.0000000700000000, 0.0004084000000000 ] - [ 0.0000000700000000, 0.0000000400000000, -0.0003417700000000 ] - [ 0.0000000400000000, 0.0000000300000000, -0.0001519000000000 ] - [ 0.0000011400000000, -0.0000004700000000, 0.0003537700000000 ] - [ -0.0001888900000000, 0.0000016200000000, 0.0000582900000000 ] - [ 0.0000012000000000, -0.0000004200000000, -0.0002087800000000 ] - [ 0.0000006400000000, 0.0000000700000000, 0.0000508800000000 ] - [ 0.0000001300000000, 0.0000000800000000, 0.0001746500000000 ] - [ -0.0000001900000000, 0.0000000500000000, -0.0001774100000000 ] - [ 0.0000007500000000, 0.0000001900000000, -0.0002501200000000 ] - [ -0.0121626700000000, 0.0001639900000000, -0.0000336300000000 ] - [ 0.0000010700000000, 0.0000001900000000, 0.0000996200000000 ] - [ 0.0000005400000000, 0.0000000100000000, 0.0000691600000000 ] - [ 0.0000003600000000, 0.0000001900000000, -0.0000824900000000 ] - [ -0.0000716200000000, 0.0000008100000000, 0.0002761500000000 ] - [ -0.0000716900000000, 0.0000000300000000, 0.0001957900000000 ] - [ 0.0000005600000000, 0.0000000100000000, 0.0001844300000000 ] - [ -0.0000002900000000, 0.0000000600000000, -0.0000825200000000 ] - [ 0.0000005500000000, 0.0000001800000000, 0.0004635200000000 ] - [ -0.0000007800000000, 0.0000000100000000, 0.0002884100000000 ] - [ -0.0000000200000000, 0.0000000100000000, 0.0003368100000000 ] - [ 0.0000000700000000, -0.0000001800000000, -0.0000464600000000 ] - [ 0.0000011200000000, 0.0000001900000000, 0.0003293700000000 ] - [ -0.0000000500000000, 0.0000002400000000, -0.0000023500000000 ] - [ 0.0000001700000000, 0.0000001300000000, -0.0003128400000000 ] - [ 0.0000000200000000, 0.0000000900000000, 0.0000346400000000 ] - [ 0.0000000600000000, -0.0000001300000000, -0.0005790000000000 ] - [ -0.0000000800000000, 0.0000000900000000, 0.0000004700000000 ] - [ 0.0000005600000000, 0.0000001900000000, 0.0002138200000000 ] - [ -0.0000007700000000, 0.0000000900000000, 0.0001009500000000 ] - [ 0.0000007900000000, 0.0000001900000000, -0.0000545300000000 ] - [ 0.0000006100000000, -0.0000001100000000, -0.0000352600000000 ] - [ -0.0000007800000000, 0.0000000100000000, 0.0001093700000000 ] - [ 0.0000002500000000, -0.0000001200000000, -0.0002288500000000 ] - [ -0.0000004900000000, -0.0000001200000000, -0.0003921300000000 ] - [ 0.0000003300000000, 0.0000000100000000, 0.0004380000000000 ] - [ -0.0000000700000000, 0.0000000100000000, 0.0000344100000000 ] - [ 0.0000000400000000, -0.0000001400000000, -0.0003429000000000 ] - [ 0.0000000100000000, -0.0000001200000000, -0.0001297800000000 ] - [ -0.0000000600000000, 0.0000001000000000, -0.0004828700000000 ] - [ 0.0000006400000000, 0.0000001900000000, 0.0000740300000000 ] - [ 0.0000001700000000, -0.0000000900000000, 0.0000874500000000 ] - [ 0.0000001100000000, 0.0000001000000000, -0.0005490600000000 ] - [ -0.0000000600000000, 0.0000000100000000, -0.0002416800000000 ] - [ 0.0000005400000000, -0.0000000100000000, -0.0004547700000000 ] - [ 0.0000004900000000, 0.0000000100000000, 0.0000306600000000 ] - [ -0.0000004100000000, 0.0000001000000000, -0.0002173900000000 ] - [ -0.0000002000000000, 0.0000001900000000, 0.0002629600000000 ] - [ 0.0000006300000000, 0.0000000100000000, -0.0001408500000000 ] - [ 0.0000005500000000, -0.0000001000000000, 0.0001193100000000 ] - [ -0.0000022300000000, -0.0000001400000000, -0.0001458500000000 ] - [ 0.0000000400000000, 0.0000000900000000, -0.0002646000000000 ] - [ 0.0000000300000000, 0.0000001800000000, -0.0000558000000000 ] - [ 0.0000006000000000, -0.0000001100000000, -0.0002038700000000 ] - [ 0.0000009400000000, 0.0000001900000000, 0.0004805700000000 ] - [ 0.0009005100000000, -0.0000110900000000, -0.0000986500000000 ] - [ 0.0008226100000000, 0.0000521900000000, -0.0001286900000000 ] - [ 0.0000001200000000, 0.0000001000000000, -0.0002486900000000 ] - [ 0.0000006200000000, 0.0000001900000000, 0.0002096400000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007267500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000731900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002246600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000017800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002146800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000992900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001871100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004973000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0305113500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003065500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004558000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002066100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000832500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003186100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003569500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001314600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002067400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005433500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003533900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001523600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000957400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004106000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001494300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000267300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003789700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001468200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0422552500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002022300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001727500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000207300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004292800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003494100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002878200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000172200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005663900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003903400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004382000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000534500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004316800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000912900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002129900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001345800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004797900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001003500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003169500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001999800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000481600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000643600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002117000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001294600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002935200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005410600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001361100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002434100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000307200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003835000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001771600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001871900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004495900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001394400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003541500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001333300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001186300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003644300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000368700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002193000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000475900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001649400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000469900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001026000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005833600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015736400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100098800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001492400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003129700000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003203300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004775800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002000400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004064900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001893000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003050200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002165800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000930400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0300849600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000970000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000515100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006112200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004864000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000852200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007606400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005353700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006106900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001394900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000501700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005555500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000189800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000064500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002517100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003768000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000247100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003540200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0423399600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000034700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000351700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001861400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001212900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000399500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000798200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001816800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003594800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001854500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002340900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001458400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002260200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000959900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004122300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000648900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006782100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000988200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001098700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000026900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001588100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001344100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000063300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003282600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004908100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003334600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000679700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004424500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002287100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005820900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000296600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000117700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006483200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003448400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005541000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000732500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003162000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001605300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002456300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000197600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002445900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003642200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001593200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003034900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003767900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018015000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101290400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003493200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001060600000000 ]- atom: 28 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000000300000000, 0.0000000300000000, -0.0005237500000000 ] - [ 0.0000013400000000, -0.0000004300000000, 0.0002751800000000 ] - [ 0.0000003600000000, -0.0000004300000000, -0.0000125800000000 ] - [ -0.0000000100000000, 0.0000000800000000, 0.0002038700000000 ] - [ 0.0107331000000000, -0.0002056000000000, 0.0002273300000000 ] - [ 0.0000231900000000, -0.0000005600000000, 0.0001026700000000 ] - [ -0.0001887200000000, 0.0000016100000000, 0.0000135100000000 ] - [ 0.0000008500000000, -0.0000004400000000, -0.0002953400000000 ] - [ -0.0000002300000000, 0.0000000400000000, 0.0000993900000000 ] - [ 0.0000006200000000, 0.0000000800000000, -0.0001051000000000 ] - [ 0.0000012500000000, -0.0000004200000000, -0.0002539400000000 ] - [ 0.0000011300000000, -0.0000004500000000, 0.0004086100000000 ] - [ 0.0000005200000000, -0.0000004700000000, 0.0002846000000000 ] - [ 0.0000012300000000, -0.0000004300000000, -0.0001169900000000 ] - [ 0.0000001700000000, 0.0000000800000000, 0.0005582500000000 ] - [ -0.0000004600000000, 0.0000000400000000, 0.0003329900000000 ] - [ 0.0000001300000000, 0.0000000600000000, 0.0004083800000000 ] - [ -0.0000001800000000, 0.0000000300000000, -0.0003417900000000 ] - [ 0.0000003400000000, 0.0000000200000000, -0.0001519200000000 ] - [ 0.0000009700000000, -0.0000004800000000, 0.0003537500000000 ] - [ 0.0000013100000000, -0.0000004500000000, 0.0000591900000000 ] - [ 0.0000005300000000, -0.0000004300000000, -0.0002088000000000 ] - [ -0.0000003100000000, 0.0000000600000000, 0.0000508500000000 ] - [ -0.0000001500000000, 0.0000000800000000, 0.0001746300000000 ] - [ -0.0000002700000000, 0.0000000500000000, -0.0001774400000000 ] - [ 0.0000006500000000, 0.0000001800000000, -0.0002501300000000 ] - [ 0.0000011200000000, 0.0000001800000000, 0.0002218500000000 ] - [ -0.0121637900000000, 0.0001643800000000, -0.0001546100000000 ] - [ -0.0000007700000000, 0.0000000100000000, 0.0000691300000000 ] - [ 0.0000010800000000, 0.0000001800000000, -0.0000825000000000 ] - [ 0.0000000000000000, 0.0000000100000000, 0.0002756700000000 ] - [ -0.0000007700000000, 0.0000000000000000, 0.0001960500000000 ] - [ 0.0000003400000000, 0.0000000100000000, 0.0001844100000000 ] - [ -0.0000003800000000, 0.0000000600000000, -0.0000825400000000 ] - [ 0.0000002100000000, 0.0000001800000000, 0.0004634900000000 ] - [ 0.0000003500000000, 0.0000000000000000, 0.0002883700000000 ] - [ 0.0000005700000000, 0.0000000000000000, 0.0003367900000000 ] - [ 0.0000000400000000, -0.0000001900000000, -0.0000464900000000 ] - [ 0.0000005600000000, 0.0000001800000000, 0.0003293500000000 ] - [ -0.0000000600000000, 0.0000000800000000, -0.0000023600000000 ] - [ -0.0000000400000000, 0.0000001200000000, -0.0003128700000000 ] - [ -0.0000007500000000, 0.0000000900000000, 0.0000346200000000 ] - [ 0.0000002600000000, -0.0000001300000000, -0.0005790200000000 ] - [ -0.0000002600000000, 0.0000000900000000, 0.0000004600000000 ] - [ 0.0000009500000000, 0.0000001800000000, 0.0002138000000000 ] - [ -0.0000002400000000, 0.0000000700000000, 0.0001009300000000 ] - [ -0.0000003500000000, 0.0000001800000000, -0.0000545600000000 ] - [ 0.0000001600000000, -0.0000001100000000, -0.0000352800000000 ] - [ -0.0000716400000000, 0.0000008000000000, 0.0001098200000000 ] - [ -0.0000022200000000, -0.0000001600000000, -0.0002288700000000 ] - [ 0.0000008300000000, -0.0000000500000000, -0.0003918700000000 ] - [ 0.0000001300000000, 0.0000000100000000, 0.0004379600000000 ] - [ -0.0000716200000000, 0.0000000300000000, 0.0000341100000000 ] - [ -0.0000004800000000, -0.0000001500000000, -0.0003429400000000 ] - [ 0.0000005500000000, -0.0000001200000000, -0.0001298000000000 ] - [ 0.0000001400000000, 0.0000001000000000, -0.0004828900000000 ] - [ 0.0000006300000000, 0.0000001900000000, 0.0000740100000000 ] - [ 0.0000006800000000, -0.0000001000000000, 0.0000874200000000 ] - [ 0.0000000600000000, 0.0000001000000000, -0.0005490900000000 ] - [ 0.0000005500000000, 0.0000000100000000, -0.0002417100000000 ] - [ 0.0000006000000000, -0.0000000200000000, -0.0004547800000000 ] - [ 0.0000006400000000, 0.0000000000000000, 0.0000306500000000 ] - [ -0.0000000400000000, 0.0000002400000000, -0.0002174300000000 ] - [ 0.0000007700000000, 0.0000001800000000, 0.0002629800000000 ] - [ -0.0000000600000000, 0.0000000000000000, -0.0001408600000000 ] - [ 0.0000005000000000, -0.0000001100000000, 0.0001192900000000 ] - [ 0.0000000100000000, -0.0000001200000000, -0.0001458900000000 ] - [ -0.0000003800000000, 0.0000000900000000, -0.0002646200000000 ] - [ 0.0000003700000000, 0.0000001800000000, -0.0000558200000000 ] - [ 0.0008227700000000, 0.0000521900000000, -0.0001806600000000 ] - [ 0.0000008000000000, 0.0000001800000000, 0.0004805500000000 ] - [ 0.0000000300000000, 0.0000000800000000, -0.0000907200000000 ] - [ 0.0000006200000000, -0.0000001200000000, -0.0001519400000000 ] - [ 0.0008996400000000, -0.0000110800000000, -0.0002566500000000 ] - [ 0.0000005600000000, 0.0000001800000000, 0.0002096100000000 ]- atom: 28 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007262300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000738400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002146200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000022600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0303995200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001093200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000512000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004973200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001022600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003054300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004555300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002071700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000825500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003187100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003569900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001310000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002069500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005432700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003533300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001520700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001427300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004106700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001507200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000272100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003791700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001468800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003245400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0423757500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001716800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000203800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003774100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002983000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002868300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000173300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005661400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003917200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004404700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000533400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004325300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000971900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002135000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001334200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004798300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000999000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003168500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002006300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000473900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000642000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002633500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001307200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002910200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005398700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001879000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002444500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000301200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003835600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001775500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001873800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004494600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001381200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003542000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001346100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001241000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003654800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000390200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002187900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000472100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001660700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000473500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0099581400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005835900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000088300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000526800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014134400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003131400000000 ]- atom: 28 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003209400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004768900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001899700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004059900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301976700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003150300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000260400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000930300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003015800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000958500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000518000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006106200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004870600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000852800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007605200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005357700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006104600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001396000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000500900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005558500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002617100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000063400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002530700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003772300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000248700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003541100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001184600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0422204700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000341200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001858200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001727800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000930200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000805800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001817500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003595200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001837300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002317800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001455200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002250100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001016200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004116200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000635800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006781900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000984200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001097200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000020500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001584300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001342600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000451300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003276000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004917000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003344700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001217100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004413800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002292500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005832800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000297300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000119500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006484400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003463200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005536600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000748600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003110800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001591500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002435000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000202400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002447900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003633400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001599000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101814700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003764000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001902800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002511000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019574700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001056000000000 ]- atom: 29 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000003600000000, -0.0000000100000000, -0.0005236900000000 ] - [ 0.0000008600000000, -0.0000004600000000, 0.0002752200000000 ] - [ 0.0000009800000000, -0.0000004600000000, -0.0000125200000000 ] - [ 0.0000001200000000, 0.0000000400000000, 0.0002039200000000 ] - [ 0.0000004600000000, 0.0000000300000000, -0.0000129200000000 ] - [ 0.0000006500000000, -0.0000005000000000, 0.0001026200000000 ] - [ 0.0000005700000000, -0.0000004900000000, 0.0000145200000000 ] - [ 0.0000012300000000, -0.0000004700000000, -0.0002952900000000 ] - [ 0.0000005900000000, 0.0000000000000000, 0.0000994500000000 ] - [ 0.0000222600000000, 0.0000001300000000, -0.0001049500000000 ] - [ 0.0000014800000000, -0.0000004700000000, -0.0002538700000000 ] - [ 0.0000007100000000, -0.0000004800000000, 0.0004086700000000 ] - [ 0.0000010100000000, -0.0000005000000000, 0.0002846500000000 ] - [ 0.0000005900000000, -0.0000004700000000, -0.0001169300000000 ] - [ -0.0000001600000000, 0.0000000500000000, 0.0005583000000000 ] - [ 0.0000003600000000, 0.0000000000000000, 0.0003330500000000 ] - [ -0.0000003200000000, 0.0000000300000000, 0.0004084300000000 ] - [ 0.0000004700000000, 0.0000000000000000, -0.0003417500000000 ] - [ -0.0000002300000000, -0.0000000100000000, -0.0001518700000000 ] - [ 0.0000009100000000, -0.0000005100000000, 0.0003538000000000 ] - [ 0.0000004000000000, -0.0000004900000000, 0.0000592400000000 ] - [ 0.0107338700000000, 0.0002052000000000, 0.0000315700000000 ] - [ -0.0000004200000000, 0.0000000200000000, 0.0000509200000000 ] - [ 0.0000000500000000, 0.0000000400000000, 0.0001746800000000 ] - [ -0.0001894700000000, -0.0000020500000000, -0.0001783300000000 ] - [ -0.0000010600000000, 0.0000001400000000, -0.0002501000000000 ] - [ 0.0000000600000000, 0.0000001500000000, 0.0002219100000000 ] - [ -0.0000010500000000, 0.0000001500000000, 0.0000996600000000 ] - [ -0.0121652600000000, -0.0001563600000000, -0.0001888700000000 ] - [ -0.0000718700000000, 0.0000001400000000, -0.0000827300000000 ] - [ 0.0000008900000000, -0.0000000300000000, 0.0002757300000000 ] - [ 0.0000012900000000, -0.0000000300000000, 0.0001961000000000 ] - [ 0.0000006700000000, -0.0000000300000000, 0.0001844600000000 ] - [ -0.0000000300000000, 0.0000000200000000, -0.0000824900000000 ] - [ 0.0000008000000000, 0.0000001400000000, 0.0004635600000000 ] - [ 0.0000011400000000, -0.0000000300000000, 0.0002884400000000 ] - [ 0.0000005400000000, -0.0000000300000000, 0.0003368500000000 ] - [ 0.0000004100000000, -0.0000002200000000, -0.0000464300000000 ] - [ -0.0000001400000000, 0.0000001500000000, 0.0003294000000000 ] - [ -0.0000001700000000, 0.0000000500000000, -0.0000023100000000 ] - [ -0.0000000700000000, 0.0000000900000000, -0.0003128000000000 ] - [ 0.0000001400000000, 0.0000000500000000, 0.0000346700000000 ] - [ 0.0000000000000000, -0.0000001700000000, -0.0005789600000000 ] - [ 0.0000003200000000, 0.0000000500000000, 0.0000005100000000 ] - [ 0.0000002900000000, 0.0000001400000000, 0.0002138700000000 ] - [ 0.0000001800000000, 0.0000000400000000, 0.0001009800000000 ] - [ 0.0000004000000000, 0.0000001400000000, -0.0000545000000000 ] - [ 0.0000001800000000, -0.0000001500000000, -0.0000352300000000 ] - [ 0.0000014600000000, -0.0000000300000000, 0.0001094200000000 ] - [ 0.0000003600000000, -0.0000003100000000, -0.0002288400000000 ] - [ 0.0008996800000000, 0.0000110100000000, -0.0004000200000000 ] - [ -0.0000000200000000, -0.0000000300000000, 0.0004380400000000 ] - [ 0.0000009000000000, -0.0000000200000000, 0.0000344400000000 ] - [ 0.0000005300000000, -0.0000001800000000, -0.0003428700000000 ] - [ 0.0000001500000000, -0.0000001600000000, -0.0001297500000000 ] - [ -0.0000025500000000, 0.0000000900000000, -0.0004828200000000 ] - [ -0.0000716900000000, -0.0000006300000000, 0.0000745200000000 ] - [ 0.0000000900000000, -0.0000001400000000, 0.0000874700000000 ] - [ 0.0000002700000000, 0.0000000600000000, -0.0005490300000000 ] - [ 0.0000014100000000, -0.0000000300000000, -0.0002416500000000 ] - [ -0.0000002300000000, -0.0000000600000000, -0.0004547300000000 ] - [ 0.0000009800000000, -0.0000000300000000, 0.0000307100000000 ] - [ 0.0000002700000000, 0.0000000500000000, -0.0002173600000000 ] - [ 0.0000002700000000, 0.0000001500000000, 0.0002630200000000 ] - [ 0.0000009700000000, -0.0000000300000000, -0.0001408200000000 ] - [ 0.0000000600000000, -0.0000001500000000, 0.0001193400000000 ] - [ 0.0000003500000000, -0.0000001500000000, -0.0001458300000000 ] - [ 0.0008223600000000, -0.0000522600000000, -0.0002413300000000 ] - [ -0.0000003400000000, 0.0000001400000000, -0.0000557600000000 ] - [ 0.0000004300000000, -0.0000001600000000, -0.0002038400000000 ] - [ 0.0000000600000000, 0.0000001400000000, 0.0004806200000000 ] - [ 0.0000002000000000, 0.0000000500000000, -0.0000906700000000 ] - [ -0.0000003500000000, -0.0000001600000000, -0.0001518900000000 ] - [ -0.0000003400000000, 0.0000000600000000, -0.0002486600000000 ] - [ -0.0000002900000000, 0.0000001400000000, 0.0002096700000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007257300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000733700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002142300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000019700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002149400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000991400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001873400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004972500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001020100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003167900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004541900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002066900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000828300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003187900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003577700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001315900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002062400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005431200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003539500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001513000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001428600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302019800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001512700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000269800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001412400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001512500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003209900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001974300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0424260800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000676700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003744400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002945700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002843400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000217500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005622900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003869900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004351300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000575200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004270000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001022000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002084700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001392800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004759600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001054100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003132100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002055700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000433200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000695000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002074000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001306000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012731800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005357100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001336000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002390800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000253600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003798000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002234100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001917600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004433200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001427800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003489100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001294100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001129500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003629900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000414400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002239300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000412200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0099028000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000421700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000990500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005790300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000142300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000481400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001447800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003070900000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003206200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004773500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001895000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004062200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001895900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003048500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002167600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000933700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003013200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001076500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000529900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006111900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004867700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000853700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007602100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005351800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006111000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001395900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000506300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005562400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002619300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0303938900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002535500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003771300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002176500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003515900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001191700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000017200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0421867900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002366200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001730900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000936200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000807700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001828300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003608300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001858200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002344300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001470000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002278500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001030600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004136500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000659600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006793400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001004600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001106500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000004900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001566100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001359900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000075700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003239600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021019900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003361200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000680100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004450400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002304400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005826100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000788100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000129900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006500800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003435300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005559200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000715800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003181800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001596300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002433800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000185300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002469000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0102440200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001566800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003050500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003784000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001917500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002519900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003491300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001086600000000 ]- atom: 30 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000003200000000, -0.0000000300000000, -0.0005237600000000 ] - [ 0.0000005200000000, -0.0000004800000000, 0.0002751500000000 ] - [ 0.0000011700000000, -0.0000004700000000, -0.0000125900000000 ] - [ 0.0000001400000000, 0.0000000300000000, 0.0002038500000000 ] - [ -0.0000002300000000, 0.0000000200000000, -0.0000129900000000 ] - [ 0.0000004800000000, -0.0000005100000000, 0.0001025500000000 ] - [ 0.0000013600000000, -0.0000004900000000, 0.0000144500000000 ] - [ 0.0000013900000000, -0.0000004900000000, -0.0002953600000000 ] - [ 0.0000002300000000, -0.0000000100000000, 0.0000993700000000 ] - [ -0.0000002800000000, 0.0000000200000000, -0.0001051100000000 ] - [ -0.0001886800000000, 0.0000015900000000, -0.0002548800000000 ] - [ 0.0000010100000000, -0.0000004900000000, 0.0004086000000000 ] - [ 0.0000009500000000, -0.0000005100000000, 0.0002845800000000 ] - [ 0.0000006000000000, -0.0000004800000000, -0.0001170000000000 ] - [ 0.0000004600000000, 0.0000000300000000, 0.0005582300000000 ] - [ 0.0000001000000000, -0.0000000100000000, 0.0003329800000000 ] - [ -0.0000001000000000, 0.0000000200000000, 0.0004083600000000 ] - [ -0.0000002200000000, -0.0000000100000000, -0.0003418200000000 ] - [ 0.0000007300000000, -0.0000000100000000, -0.0001519400000000 ] - [ 0.0000006600000000, -0.0000005200000000, 0.0003537400000000 ] - [ 0.0000014400000000, -0.0000004900000000, 0.0000591800000000 ] - [ 0.0000231600000000, -0.0000005700000000, -0.0002087300000000 ] - [ -0.0000004300000000, 0.0000000100000000, 0.0000508400000000 ] - [ 0.0000000900000000, 0.0000000300000000, 0.0001746200000000 ] - [ 0.0107350700000000, -0.0002056900000000, 0.0000629000000000 ] - [ 0.0000006800000000, 0.0000001300000000, -0.0002501600000000 ] - [ 0.0000006100000000, 0.0000001300000000, 0.0002218400000000 ] - [ 0.0000011800000000, 0.0000001300000000, 0.0000995800000000 ] - [ -0.0000714800000000, 0.0000007500000000, 0.0000695700000000 ] - [ -0.0121700200000000, 0.0001680100000000, -0.0003354900000000 ] - [ 0.0000006200000000, -0.0000000400000000, 0.0002756600000000 ] - [ 0.0000004000000000, -0.0000000400000000, 0.0001960300000000 ] - [ 0.0000007400000000, -0.0000000400000000, 0.0001843900000000 ] - [ -0.0000006600000000, 0.0000000100000000, -0.0000825500000000 ] - [ 0.0000004000000000, 0.0000001300000000, 0.0004634800000000 ] - [ 0.0000001900000000, -0.0000000400000000, 0.0002883600000000 ] - [ 0.0000003900000000, -0.0000000400000000, 0.0003367800000000 ] - [ 0.0000002700000000, -0.0000002300000000, -0.0000464800000000 ] - [ 0.0000002700000000, 0.0000001400000000, 0.0003293300000000 ] - [ -0.0000002000000000, 0.0000000400000000, -0.0000023700000000 ] - [ 0.0000002000000000, 0.0000000700000000, -0.0003128700000000 ] - [ -0.0000001700000000, 0.0000000400000000, 0.0000346100000000 ] - [ -0.0000021700000000, -0.0000002100000000, -0.0005790100000000 ] - [ -0.0000003100000000, 0.0000000400000000, 0.0000004500000000 ] - [ 0.0000008600000000, 0.0000001300000000, 0.0002137800000000 ] - [ -0.0000002900000000, 0.0000000300000000, 0.0001009200000000 ] - [ 0.0000003000000000, 0.0000001300000000, -0.0000545700000000 ] - [ 0.0000007200000000, -0.0000001600000000, -0.0000352900000000 ] - [ 0.0000000500000000, -0.0000000400000000, 0.0001093400000000 ] - [ 0.0000000700000000, -0.0000001800000000, -0.0002288900000000 ] - [ 0.0008230100000000, 0.0000521400000000, -0.0003689300000000 ] - [ 0.0000011300000000, -0.0000000400000000, 0.0004379600000000 ] - [ -0.0000007100000000, -0.0000000400000000, 0.0000343700000000 ] - [ 0.0000006600000000, -0.0000001900000000, -0.0003429300000000 ] - [ 0.0000005500000000, -0.0000001700000000, -0.0001298200000000 ] - [ 0.0008996200000000, -0.0000111200000000, -0.0004908200000000 ] - [ 0.0000006200000000, 0.0000001400000000, 0.0000739800000000 ] - [ 0.0000004200000000, -0.0000001500000000, 0.0000874100000000 ] - [ -0.0000003200000000, 0.0000000500000000, -0.0005490800000000 ] - [ -0.0000007100000000, -0.0000000400000000, -0.0002417400000000 ] - [ 0.0000006000000000, -0.0000000600000000, -0.0004547900000000 ] - [ -0.0000000100000000, -0.0000000400000000, 0.0000306300000000 ] - [ -0.0000000100000000, 0.0000000400000000, -0.0002174200000000 ] - [ 0.0000007000000000, 0.0000001400000000, 0.0002629400000000 ] - [ -0.0000715500000000, -0.0000000300000000, -0.0001411700000000 ] - [ 0.0000006100000000, -0.0000001600000000, 0.0001192800000000 ] - [ 0.0000006100000000, -0.0000001600000000, -0.0001458900000000 ] - [ 0.0000000200000000, 0.0000001900000000, -0.0002646400000000 ] - [ 0.0000011400000000, 0.0000001300000000, -0.0000558400000000 ] - [ 0.0000006800000000, -0.0000001700000000, -0.0002039000000000 ] - [ -0.0000003100000000, 0.0000001300000000, 0.0004805500000000 ] - [ -0.0000007000000000, 0.0000000400000000, -0.0000907200000000 ] - [ 0.0000002200000000, -0.0000001700000000, -0.0001519500000000 ] - [ 0.0000000800000000, 0.0000000400000000, -0.0002487200000000 ] - [ 0.0000010100000000, 0.0000001300000000, 0.0002095900000000 ]- atom: 30 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007256200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000728400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002142800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000019500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002147900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000996600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001877600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004974700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001023400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003069200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002181000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002067500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000825300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003190900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003575000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001312800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002062300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005434000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003522100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001517200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001421800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004205800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001514000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000272200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302340100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001511400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003201900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001973400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002180300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0425704600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003745200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002945200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002828900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000213700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005626300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003854900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004345500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000574800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004271700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001024300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002080200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001397100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004757600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001055600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003119400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002058300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000431100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000700700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002061300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001247100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0097758700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005360300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001316700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002387500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000249900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011834700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001728100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001920500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004456500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001433000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003473200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001275100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001123600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003621400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000088500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002240200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000407700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001661100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000425500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000991500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005780900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000135000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000470300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001435600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003077700000000 ]- atom: 30 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003205400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004771800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001889300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004055200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001888400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003047100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002165500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000939900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003009700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000967900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002942100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006105900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004863900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000849800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007601600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005348600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006104500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001396900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000483400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005547200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002607500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000031300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002531100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003769100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0303623700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003569500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001146000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000066400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000881800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0420477300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001676300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000884400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000777700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001782900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003554300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001820800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002298000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001431000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002222900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000984000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004099400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000614300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006747200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000957500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001065200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000049700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001623800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001316500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000035100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003251200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0103675800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003304700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000713900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004395100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002260100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021884200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000329800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000089900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006447800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003480600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005510400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000755700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003139000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001565500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003001300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000230800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002424900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003553800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001622900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003002100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003742300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001859800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002480600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003456000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001026900000000 ]- atom: 31 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000001000000000, 0.0000000300000000, -0.0005237400000000 ] - [ 0.0000004800000000, -0.0000004300000000, 0.0002751700000000 ] - [ 0.0107321600000000, 0.0002052200000000, 0.0002277200000000 ] - [ -0.0000004900000000, 0.0000000900000000, 0.0002038600000000 ] - [ 0.0000003900000000, 0.0000000700000000, -0.0000129800000000 ] - [ 0.0000005800000000, -0.0000004600000000, 0.0001025600000000 ] - [ 0.0000011500000000, -0.0000004400000000, 0.0000144600000000 ] - [ 0.0000005600000000, -0.0000004400000000, -0.0002953400000000 ] - [ -0.0001897200000000, -0.0000020100000000, 0.0000984700000000 ] - [ 0.0000003400000000, 0.0000000700000000, -0.0001051000000000 ] - [ 0.0000008200000000, -0.0000004200000000, -0.0002539300000000 ] - [ 0.0000005500000000, -0.0000004400000000, 0.0004086100000000 ] - [ 0.0000003600000000, -0.0000004600000000, 0.0002845900000000 ] - [ 0.0000009000000000, -0.0000004300000000, -0.0001169800000000 ] - [ 0.0000003400000000, 0.0000000800000000, 0.0005582600000000 ] - [ 0.0000223000000000, 0.0000001400000000, 0.0003330800000000 ] - [ 0.0000004300000000, 0.0000000700000000, 0.0004083800000000 ] - [ -0.0000001200000000, 0.0000000400000000, -0.0003417900000000 ] - [ 0.0000002500000000, 0.0000000300000000, -0.0001519200000000 ] - [ 0.0000009700000000, -0.0000004700000000, 0.0003537500000000 ] - [ 0.0000014800000000, -0.0000004600000000, 0.0000591900000000 ] - [ 0.0000006200000000, -0.0000004300000000, -0.0002088000000000 ] - [ -0.0000003100000000, 0.0000000600000000, 0.0000508600000000 ] - [ 0.0000005100000000, 0.0000000800000000, 0.0001746400000000 ] - [ -0.0000000500000000, 0.0000000500000000, -0.0001774300000000 ] - [ -0.0000003800000000, 0.0000001800000000, -0.0002501400000000 ] - [ -0.0000720000000000, 0.0000001800000000, 0.0002215900000000 ] - [ -0.0000003900000000, 0.0000001800000000, 0.0000996000000000 ] - [ 0.0000006600000000, 0.0000000100000000, 0.0000691300000000 ] - [ 0.0000003200000000, 0.0000001800000000, -0.0000825100000000 ] - [ -0.0121606900000000, -0.0001591500000000, 0.0000215600000000 ] - [ 0.0000009200000000, 0.0000000100000000, 0.0001960600000000 ] - [ 0.0000008500000000, 0.0000000100000000, 0.0001844100000000 ] - [ -0.0000002500000000, 0.0000000600000000, -0.0000825400000000 ] - [ 0.0000000300000000, 0.0000001800000000, 0.0004635100000000 ] - [ 0.0000008600000000, 0.0000000100000000, 0.0002883900000000 ] - [ 0.0000014100000000, 0.0000000100000000, 0.0003368100000000 ] - [ 0.0000003900000000, -0.0000001800000000, -0.0000464700000000 ] - [ -0.0000010900000000, 0.0000001800000000, 0.0003293600000000 ] - [ 0.0008222400000000, -0.0000522200000000, 0.0000208800000000 ] - [ -0.0000002500000000, 0.0000001300000000, -0.0003128600000000 ] - [ -0.0000003800000000, 0.0000000900000000, 0.0000346100000000 ] - [ 0.0000004600000000, -0.0000001300000000, -0.0005790100000000 ] - [ 0.0000002200000000, 0.0000000900000000, 0.0000004500000000 ] - [ -0.0000718700000000, -0.0000006000000000, 0.0002142700000000 ] - [ 0.0000001400000000, 0.0000000700000000, 0.0001009200000000 ] - [ 0.0000002500000000, 0.0000001800000000, -0.0000545500000000 ] - [ 0.0000003900000000, -0.0000001100000000, -0.0000352800000000 ] - [ 0.0000013700000000, 0.0000000100000000, 0.0001093600000000 ] - [ 0.0000004000000000, -0.0000001200000000, -0.0002288700000000 ] - [ 0.0000003000000000, -0.0000001200000000, -0.0003921400000000 ] - [ 0.0000012400000000, 0.0000000100000000, 0.0004379900000000 ] - [ 0.0000009400000000, 0.0000000100000000, 0.0000344000000000 ] - [ 0.0000005100000000, -0.0000001400000000, -0.0003429100000000 ] - [ 0.0000003200000000, -0.0000002700000000, -0.0001298200000000 ] - [ -0.0000003000000000, 0.0000001000000000, -0.0004828700000000 ] - [ 0.0000002300000000, 0.0000001900000000, 0.0000740000000000 ] - [ -0.0000003800000000, -0.0000001000000000, 0.0000874200000000 ] - [ -0.0000003200000000, 0.0000001000000000, -0.0005490700000000 ] - [ 0.0000003200000000, 0.0000000100000000, -0.0002417100000000 ] - [ 0.0000001600000000, -0.0000000200000000, -0.0004547900000000 ] - [ 0.0000001000000000, 0.0000000100000000, 0.0000306400000000 ] - [ 0.0000002100000000, 0.0000000900000000, -0.0002174100000000 ] - [ 0.0000007800000000, 0.0000001800000000, 0.0002629500000000 ] - [ 0.0000010700000000, 0.0000000000000000, -0.0001408800000000 ] - [ 0.0000003100000000, -0.0000001000000000, 0.0001192900000000 ] - [ -0.0000000300000000, -0.0000001100000000, -0.0001458800000000 ] - [ -0.0000008500000000, 0.0000001000000000, -0.0002646200000000 ] - [ 0.0000001800000000, 0.0000001800000000, -0.0000558300000000 ] - [ 0.0000004900000000, -0.0000001200000000, -0.0002038800000000 ] - [ -0.0000003300000000, 0.0000001800000000, 0.0004805600000000 ] - [ -0.0000026200000000, 0.0000001200000000, -0.0000907100000000 ] - [ 0.0009008900000000, 0.0000110700000000, -0.0001599000000000 ] - [ -0.0000001400000000, 0.0000001000000000, -0.0002487000000000 ] - [ -0.0000011000000000, 0.0000001800000000, 0.0002096100000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007263800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000734800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0303986300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000018500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002145400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000992100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001870000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004974700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001362700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003068400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004554400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002069400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000824500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003186200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003570900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001212400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002064700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005435700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003535400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001523100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001411600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004103900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001509700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000265100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003793300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001477400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003753000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002013400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001721500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000216200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0422013200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002991800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002871100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000173700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005665800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003913500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004389200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000534700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004313500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0101599700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002132700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001338800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004796100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001002000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003673900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002010400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000488800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000646500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002118300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001291300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002927700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005405800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001373400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002431600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000361100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003834800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001776300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001865100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004493500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001390900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003542100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001325600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001159600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003653400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000377500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002192200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000471300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001658800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000469500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001044200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005820200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000076900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015124100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001492100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003120000000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003202100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004770700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301950800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004061300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001889500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003045700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002162100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000933600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000585200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000970100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000521500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006106300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004869000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000848900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007605400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005451300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006106900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001394100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000500800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005550100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002598100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000068900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002531700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003764100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000246900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003571800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000613500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000069700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000388300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001912400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0423914300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000879600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000765700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001777300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003551200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001802800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002294400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001420500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002225600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099751800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004077200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000601700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006742900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000945700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000555000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000057400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001637400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001308100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000017400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003242300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004874000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003298400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000736100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004386500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002193300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005779200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000343600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000068800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006444700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003491200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005494400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000765800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003125500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001560600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002487700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000239400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002402600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003590100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001632600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003001400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003740400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001849100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018580100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003437300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001021900000000 ]- atom: 32 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000001400000000, 0.0000000000000000, -0.0005237000000000 ] - [ 0.0000005700000000, -0.0000004500000000, 0.0002752200000000 ] - [ 0.0000005200000000, -0.0000004500000000, -0.0000125200000000 ] - [ 0.0000005200000000, 0.0000000500000000, 0.0002039300000000 ] - [ -0.0000003000000000, 0.0000000500000000, -0.0000129300000000 ] - [ 0.0000015400000000, -0.0000004900000000, 0.0001026300000000 ] - [ 0.0000006000000000, -0.0000004700000000, 0.0000145100000000 ] - [ 0.0000009900000000, -0.0000004600000000, -0.0002952900000000 ] - [ 0.0000223600000000, 0.0000001200000000, 0.0000995400000000 ] - [ 0.0000004300000000, 0.0000000400000000, -0.0001050400000000 ] - [ 0.0000006500000000, -0.0000004500000000, -0.0002538800000000 ] - [ 0.0000003700000000, -0.0000004700000000, 0.0004086700000000 ] - [ 0.0000010300000000, -0.0000004800000000, 0.0002846500000000 ] - [ 0.0000008900000000, -0.0000004600000000, -0.0001169300000000 ] - [ -0.0000002700000000, 0.0000000600000000, 0.0005583100000000 ] - [ 0.0000005100000000, 0.0000000100000000, 0.0003330500000000 ] - [ -0.0000004300000000, 0.0000000500000000, 0.0004084400000000 ] - [ 0.0000002600000000, 0.0000000100000000, -0.0003417300000000 ] - [ 0.0000000100000000, 0.0000000000000000, -0.0001518600000000 ] - [ 0.0000008900000000, -0.0000005000000000, 0.0003538000000000 ] - [ 0.0107325200000000, 0.0002051700000000, 0.0002995400000000 ] - [ 0.0000011600000000, -0.0000004500000000, -0.0002087500000000 ] - [ -0.0001894500000000, -0.0000020300000000, 0.0000499500000000 ] - [ 0.0000003200000000, 0.0000000500000000, 0.0001746900000000 ] - [ 0.0000004200000000, 0.0000000200000000, -0.0001773800000000 ] - [ 0.0000003500000000, 0.0000001600000000, -0.0002500600000000 ] - [ -0.0000719100000000, -0.0000006200000000, 0.0002223800000000 ] - [ -0.0000010600000000, 0.0000001600000000, 0.0000996700000000 ] - [ 0.0000009800000000, -0.0000000100000000, 0.0000692200000000 ] - [ 0.0000002700000000, 0.0000001500000000, -0.0000824200000000 ] - [ 0.0000009000000000, -0.0000000100000000, 0.0002757500000000 ] - [ -0.0121627400000000, -0.0001572100000000, -0.0000618800000000 ] - [ 0.0000011400000000, -0.0000000200000000, 0.0001844700000000 ] - [ 0.0000001100000000, 0.0000000300000000, -0.0000825100000000 ] - [ 0.0000002900000000, 0.0000001500000000, 0.0004635700000000 ] - [ 0.0000014600000000, -0.0000000200000000, 0.0002884500000000 ] - [ 0.0000012800000000, -0.0000000200000000, 0.0003368500000000 ] - [ 0.0000005200000000, -0.0000002100000000, -0.0000464600000000 ] - [ -0.0000002900000000, 0.0000001600000000, 0.0003294100000000 ] - [ -0.0000003400000000, 0.0000000600000000, -0.0000023200000000 ] - [ -0.0000002800000000, 0.0000001000000000, -0.0003128400000000 ] - [ 0.0000002600000000, 0.0000000600000000, 0.0000346500000000 ] - [ 0.0000003400000000, -0.0000001600000000, -0.0005790000000000 ] - [ 0.0000001900000000, 0.0000000600000000, 0.0000005000000000 ] - [ -0.0000010500000000, 0.0000001500000000, 0.0002138800000000 ] - [ -0.0000002000000000, 0.0000000500000000, 0.0001009800000000 ] - [ -0.0000001600000000, 0.0000001600000000, -0.0000544900000000 ] - [ 0.0000003300000000, -0.0000001400000000, -0.0000352500000000 ] - [ 0.0000009600000000, -0.0000000100000000, 0.0001094400000000 ] - [ 0.0000005200000000, -0.0000001500000000, -0.0002288500000000 ] - [ 0.0000004300000000, -0.0000001500000000, -0.0003921200000000 ] - [ 0.0000008800000000, -0.0000000200000000, 0.0004380400000000 ] - [ 0.0000014100000000, -0.0000000200000000, 0.0000344700000000 ] - [ 0.0000005000000000, -0.0000001700000000, -0.0003429100000000 ] - [ 0.0000004300000000, -0.0000001400000000, -0.0001297700000000 ] - [ -0.0000008100000000, 0.0000000800000000, -0.0004828700000000 ] - [ -0.0000003500000000, 0.0000001600000000, 0.0000740900000000 ] - [ 0.0000001500000000, -0.0000001200000000, 0.0000874600000000 ] - [ -0.0000002600000000, 0.0000000700000000, -0.0005490600000000 ] - [ 0.0000011000000000, -0.0000000100000000, -0.0002416300000000 ] - [ 0.0000002300000000, -0.0000000400000000, -0.0004547500000000 ] - [ 0.0000003600000000, -0.0000000200000000, 0.0000307400000000 ] - [ -0.0000025800000000, 0.0000001000000000, -0.0002173700000000 ] - [ 0.0000002200000000, 0.0000001600000000, 0.0002630400000000 ] - [ 0.0000007000000000, -0.0000000200000000, -0.0001407900000000 ] - [ -0.0000003400000000, -0.0000001400000000, 0.0001193300000000 ] - [ 0.0008994700000000, 0.0000110300000000, -0.0001537700000000 ] - [ -0.0000000800000000, 0.0000000700000000, -0.0002645900000000 ] - [ -0.0000003300000000, 0.0000001500000000, -0.0000557300000000 ] - [ 0.0000000000000000, -0.0000001500000000, -0.0002038600000000 ] - [ 0.0000000600000000, 0.0000001600000000, 0.0004806300000000 ] - [ 0.0008222700000000, -0.0000522500000000, -0.0000674500000000 ] - [ 0.0000003500000000, -0.0000003000000000, -0.0001519100000000 ] - [ 0.0000002500000000, 0.0000000700000000, -0.0002486900000000 ] - [ -0.0000718600000000, 0.0000001500000000, 0.0002094100000000 ]- atom: 32 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007264000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000735500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002140400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000027400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002145500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000975900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001871600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004968900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001123100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003065500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004553300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002066800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000832500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003183100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003567100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001312900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002065900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005432100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003536000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001523200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0304713100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004101000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000873300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000265600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003790100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001458200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003758000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002022200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001723800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000214200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003789200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0422901500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002872200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000174800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005671900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003907800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004396300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000539700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004310600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000969200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002130000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001345300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004795700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001006900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003160300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002009200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000473400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000647500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002127700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001292500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002923400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005409500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001371200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002434100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000297700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003840200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001760400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001873100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004495300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001384100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003538500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001334500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001188600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003652900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000376500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002184900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015153000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001650300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000467300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001050400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005839200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100710800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000581800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001471800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003632300000000 ]- atom: 32 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003205300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004773300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001896100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004056800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001894000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003033700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002167600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000932900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003118300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000971500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000518100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006113000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004865600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000850600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007610600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005356900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006110400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001394600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000505500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005557700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301251400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000067800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000108600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003767900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000248900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003548700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000676300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000033000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000346500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001866600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001716500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0423106100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000805400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001817600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003588700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001849700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002328400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001462500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002267100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001012300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004120900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000644800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006782900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000989600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001109900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000019100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001578200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001345700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000057000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003295200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004918100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003337500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000688200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004422900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002294800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005814200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000282900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000117200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006482000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003456800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005542200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000731900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003160700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001598800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002446500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000208000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018534000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003639400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001588700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003027100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003763400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100675200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002456300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003483100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000537800000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000006500000000, 0.0000005600000000, -0.0005230400000000 ] - [ 0.0000011600000000, -0.0000004600000000, 0.0002752200000000 ] - [ 0.0000006600000000, -0.0000004600000000, -0.0000125200000000 ] - [ -0.0000002900000000, 0.0000000500000000, 0.0002039200000000 ] - [ -0.0000000900000000, 0.0000000400000000, -0.0000129200000000 ] - [ 0.0000009900000000, -0.0000004900000000, 0.0001026300000000 ] - [ 0.0000005800000000, -0.0000004800000000, 0.0000145200000000 ] - [ 0.0000013200000000, -0.0000004700000000, -0.0002952700000000 ] - [ 0.0000000300000000, 0.0000000100000000, 0.0000994500000000 ] - [ -0.0000000200000000, 0.0000000400000000, -0.0001050400000000 ] - [ 0.0000013100000000, -0.0000004500000000, -0.0002538600000000 ] - [ 0.0000005900000000, -0.0000004800000000, 0.0004086700000000 ] - [ 0.0000015500000000, -0.0000005100000000, 0.0002846500000000 ] - [ 0.0000006200000000, -0.0000004700000000, -0.0001169200000000 ] - [ 0.0000225500000000, 0.0000001500000000, 0.0005584300000000 ] - [ 0.0000004500000000, 0.0000000100000000, 0.0003330500000000 ] - [ 0.0000004700000000, 0.0000000300000000, 0.0004084400000000 ] - [ -0.0000002900000000, 0.0000000000000000, -0.0003417300000000 ] - [ -0.0000006000000000, 0.0000000000000000, -0.0001518600000000 ] - [ 0.0107351300000000, 0.0002051800000000, 0.0005941400000000 ] - [ 0.0000009200000000, -0.0000004800000000, 0.0000592500000000 ] - [ 0.0000011300000000, -0.0000004600000000, -0.0002087400000000 ] - [ 0.0000002700000000, 0.0000000300000000, 0.0000509200000000 ] - [ -0.0001902600000000, -0.0000020100000000, 0.0001738100000000 ] - [ 0.0000002100000000, 0.0000000100000000, -0.0001773700000000 ] - [ 0.0000009700000000, 0.0000001500000000, -0.0002500200000000 ] - [ 0.0000003700000000, 0.0000001500000000, 0.0002219700000000 ] - [ 0.0000002300000000, 0.0000001500000000, 0.0000997200000000 ] - [ 0.0000006100000000, -0.0000000200000000, 0.0000692700000000 ] - [ 0.0000005900000000, 0.0000001500000000, -0.0000823800000000 ] - [ 0.0000007100000000, -0.0000000300000000, 0.0002758000000000 ] - [ 0.0000011100000000, -0.0000000300000000, 0.0001961700000000 ] - [ -0.0121709000000000, -0.0001573300000000, -0.0000744200000000 ] - [ 0.0008229700000000, -0.0000522900000000, -0.0000593000000000 ] - [ -0.0000721400000000, 0.0000001400000000, 0.0004633300000000 ] - [ 0.0000010000000000, -0.0000000300000000, 0.0002885100000000 ] - [ 0.0000014200000000, -0.0000000300000000, 0.0003369100000000 ] - [ -0.0000001500000000, -0.0000002200000000, -0.0000464800000000 ] - [ -0.0000003300000000, 0.0000001500000000, 0.0003294700000000 ] - [ -0.0000008000000000, 0.0000000600000000, -0.0000023700000000 ] - [ 0.0000001700000000, 0.0000000900000000, -0.0003128800000000 ] - [ -0.0000000900000000, 0.0000000500000000, 0.0000346200000000 ] - [ 0.0000005300000000, -0.0000001600000000, -0.0005790300000000 ] - [ 0.0000002600000000, 0.0000000500000000, 0.0000004600000000 ] - [ 0.0000002800000000, 0.0000001500000000, 0.0002139200000000 ] - [ -0.0000025800000000, 0.0000000700000000, 0.0001009400000000 ] - [ -0.0000725200000000, -0.0000006400000000, -0.0000539500000000 ] - [ 0.0000005400000000, -0.0000001500000000, -0.0000352800000000 ] - [ 0.0000003700000000, -0.0000000300000000, 0.0001094900000000 ] - [ 0.0000004800000000, -0.0000001600000000, -0.0002288900000000 ] - [ 0.0000002300000000, -0.0000001600000000, -0.0003921600000000 ] - [ 0.0000009800000000, -0.0000000200000000, 0.0004380900000000 ] - [ 0.0000001600000000, -0.0000000200000000, 0.0000345100000000 ] - [ 0.0000005300000000, -0.0000001700000000, -0.0003429400000000 ] - [ 0.0000004600000000, -0.0000001500000000, -0.0001298000000000 ] - [ -0.0000008000000000, 0.0000000700000000, -0.0004829000000000 ] - [ 0.0000008300000000, 0.0000001500000000, 0.0000741300000000 ] - [ 0.0009042000000000, 0.0000111300000000, 0.0000793300000000 ] - [ 0.0000000100000000, 0.0000000700000000, -0.0005491000000000 ] - [ 0.0000000200000000, -0.0000000300000000, -0.0002415800000000 ] - [ 0.0000007900000000, -0.0000002000000000, -0.0004548100000000 ] - [ -0.0000007500000000, -0.0000000300000000, 0.0000307800000000 ] - [ -0.0000002900000000, 0.0000000600000000, -0.0002174200000000 ] - [ 0.0000005500000000, 0.0000001500000000, 0.0002630600000000 ] - [ 0.0000003900000000, -0.0000000300000000, -0.0001407500000000 ] - [ 0.0000000300000000, -0.0000001400000000, 0.0001193000000000 ] - [ 0.0000005200000000, -0.0000001400000000, -0.0001458900000000 ] - [ -0.0000002100000000, 0.0000000600000000, -0.0002646400000000 ] - [ 0.0000011700000000, 0.0000001400000000, -0.0000556900000000 ] - [ 0.0000005700000000, -0.0000001600000000, -0.0002039000000000 ] - [ -0.0000010400000000, 0.0000001500000000, 0.0004806600000000 ] - [ -0.0000002600000000, 0.0000000600000000, -0.0000907200000000 ] - [ 0.0000003500000000, -0.0000001500000000, -0.0001519500000000 ] - [ -0.0000002200000000, 0.0000000600000000, -0.0002487300000000 ] - [ -0.0000003200000000, 0.0000001500000000, 0.0002097400000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007258600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000735100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002143000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000018800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002149400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000991800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001877700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004976400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001026100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003067900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004552400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002068600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000842600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003191700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003471700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001312600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002066900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005433100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003540400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0307630800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001423500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004102900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001509100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002116000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003792600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001529800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003201800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001967700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001670900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000149200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003728900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002934400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0423230700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100877800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006123900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003856800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004337000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000584500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004253200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001028300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002060900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001406200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004724800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001064200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003116300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002058900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000924200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000707700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002062500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001229200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002862000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005354300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001307200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002371600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000237000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003773700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001713400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017644100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004428600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001457400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003518400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001262900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001112100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003609900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000432100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002241200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000399600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001585500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000409400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000975100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005776700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000152800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000460300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001426800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003062700000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003201800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004768900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001892900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004060100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001892200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003045300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002168100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000934300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003015600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000969500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000523800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006108200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004850200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000853800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007708700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005352000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006103600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001395100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000505200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0298279400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002611500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000070800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002529100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001339700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000244600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003562400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001141000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000067200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000381200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001888900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001687500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000890600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0423109600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100596300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003039100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001814300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002302600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001428800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002237500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000977900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004096400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000613700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006762900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000956800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001064500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000058700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002121300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001324900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000028500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003253400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004889000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003307500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000712700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004398200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002262500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005789100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000325100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016277600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006460000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003465600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005459200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000749000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003138900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001573300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002475400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000238500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002422400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003611400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001613500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003006200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003742800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001867100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002480500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003451100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001037000000000 ]- atom: 34 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000016000000000, 0.0000000700000000, -0.0005239100000000 ] - [ 0.0000000700000000, -0.0000003900000000, 0.0002750100000000 ] - [ 0.0000007700000000, -0.0000004000000000, -0.0000127300000000 ] - [ -0.0000014200000000, 0.0000001100000000, 0.0002037100000000 ] - [ -0.0000006300000000, 0.0000001000000000, -0.0000131400000000 ] - [ 0.0000005600000000, -0.0000004300000000, 0.0001024100000000 ] - [ 0.0000007800000000, -0.0000004200000000, 0.0000143000000000 ] - [ 0.0000004500000000, -0.0000004100000000, -0.0002955100000000 ] - [ -0.0000005500000000, 0.0000000700000000, 0.0000992300000000 ] - [ -0.0000004900000000, 0.0000001000000000, -0.0001052600000000 ] - [ 0.0000010200000000, -0.0000003900000000, -0.0002540900000000 ] - [ 0.0000003100000000, -0.0000004100000000, 0.0004084600000000 ] - [ 0.0000008200000000, -0.0000002200000000, 0.0002841200000000 ] - [ 0.0000009900000000, -0.0000004000000000, -0.0001171500000000 ] - [ -0.0000757300000000, -0.0000014900000000, 0.0005611200000000 ] - [ -0.0000011000000000, 0.0000000800000000, 0.0003328400000000 ] - [ 0.0000003300000000, 0.0000001000000000, 0.0004082200000000 ] - [ 0.0000001200000000, 0.0000000700000000, -0.0003419600000000 ] - [ -0.0000011600000000, 0.0000000600000000, -0.0001520800000000 ] - [ 0.0109789500000000, -0.0002043100000000, 0.0001127500000000 ] - [ 0.0000006300000000, -0.0000004200000000, 0.0000590300000000 ] - [ 0.0000005700000000, -0.0000003900000000, -0.0002089700000000 ] - [ 0.0000006200000000, 0.0000000900000000, 0.0000507000000000 ] - [ -0.0000299100000000, -0.0000001300000000, 0.0001743900000000 ] - [ -0.0000000800000000, 0.0000000800000000, -0.0001775900000000 ] - [ -0.0000003900000000, 0.0000002200000000, -0.0002500900000000 ] - [ -0.0000004400000000, 0.0000002200000000, 0.0002218900000000 ] - [ -0.0000005100000000, 0.0000002200000000, 0.0000996400000000 ] - [ 0.0000000900000000, 0.0000000400000000, 0.0000691800000000 ] - [ -0.0000010400000000, 0.0000002100000000, -0.0000824600000000 ] - [ 0.0000000200000000, 0.0000000400000000, 0.0002757100000000 ] - [ 0.0000002300000000, 0.0000000400000000, 0.0001960900000000 ] - [ 0.0008229900000000, 0.0000521300000000, 0.0001612200000000 ] - [ -0.0127827300000000, 0.0001444500000000, 0.0001672000000000 ] - [ -0.0000002200000000, 0.0000001200000000, 0.0004635500000000 ] - [ 0.0000003000000000, 0.0000000400000000, 0.0002884200000000 ] - [ 0.0000003200000000, 0.0000000400000000, 0.0003368300000000 ] - [ -0.0000012600000000, -0.0000001500000000, -0.0000464200000000 ] - [ -0.0000002000000000, 0.0000002200000000, 0.0003293900000000 ] - [ 0.0000003200000000, 0.0000001200000000, -0.0000022900000000 ] - [ -0.0000013100000000, 0.0000001600000000, -0.0003127900000000 ] - [ 0.0000007000000000, 0.0000001200000000, 0.0000346900000000 ] - [ -0.0000004400000000, -0.0000001000000000, -0.0005789500000000 ] - [ 0.0000008700000000, 0.0000001200000000, 0.0000005200000000 ] - [ -0.0000009800000000, 0.0000002100000000, 0.0002138300000000 ] - [ 0.0000010200000000, 0.0000001100000000, 0.0001009900000000 ] - [ 0.0009102300000000, 0.0000090700000000, -0.0000409600000000 ] - [ 0.0000000700000000, -0.0000000800000000, -0.0000352000000000 ] - [ 0.0000003800000000, 0.0000000400000000, 0.0001094000000000 ] - [ -0.0000005800000000, -0.0000000900000000, -0.0002288100000000 ] - [ -0.0000003300000000, -0.0000000900000000, -0.0003920900000000 ] - [ -0.0000002200000000, 0.0000000400000000, 0.0004380100000000 ] - [ 0.0000003200000000, 0.0000000400000000, 0.0000344300000000 ] - [ -0.0000009700000000, -0.0000001100000000, -0.0003428700000000 ] - [ -0.0000001100000000, -0.0000000900000000, -0.0001297300000000 ] - [ 0.0000000200000000, 0.0000001400000000, -0.0004828200000000 ] - [ -0.0000005200000000, 0.0000002200000000, 0.0000740500000000 ] - [ 0.0000910700000000, 0.0000005600000000, 0.0000871900000000 ] - [ -0.0000006000000000, 0.0000001300000000, -0.0005490200000000 ] - [ 0.0000002700000000, 0.0000000400000000, -0.0002416600000000 ] - [ 0.0000886700000000, -0.0000002300000000, -0.0004539700000000 ] - [ -0.0000002000000000, 0.0000000300000000, 0.0000307000000000 ] - [ -0.0000000400000000, 0.0000001300000000, -0.0002173400000000 ] - [ 0.0000010500000000, 0.0000001900000000, 0.0002629600000000 ] - [ 0.0000003000000000, 0.0000000400000000, -0.0001408300000000 ] - [ 0.0000003100000000, -0.0000000800000000, 0.0001193600000000 ] - [ -0.0000001200000000, -0.0000000800000000, -0.0001458100000000 ] - [ 0.0000001100000000, 0.0000001200000000, -0.0002645500000000 ] - [ 0.0000000100000000, 0.0000002200000000, -0.0000557700000000 ] - [ -0.0000001800000000, -0.0000000900000000, -0.0002038200000000 ] - [ -0.0000000700000000, 0.0000002200000000, 0.0004805900000000 ] - [ 0.0000005600000000, 0.0000001200000000, -0.0000906400000000 ] - [ -0.0000001900000000, -0.0000000900000000, -0.0001518600000000 ] - [ -0.0000006000000000, 0.0000001300000000, -0.0002486500000000 ] - [ -0.0000003500000000, 0.0000002200000000, 0.0002096500000000 ]- atom: 34 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007236500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000758600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002112700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000047500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002121600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000964100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001843100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004947300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001002900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003046400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004526900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002100100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000857200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003156500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006820400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001329500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002099100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005404000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003514500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0305964600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001394600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004077400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001475900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000411600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003769900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001553900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003168900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001948800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001640100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000117500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003705500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002908900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0101599400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0423051100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005530600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003836800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004317500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000563900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004244000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001021500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002086600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001390700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004751500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001042600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003080500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002052000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016697200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000684700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002045500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001255000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002890100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005325300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001294100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002398400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000266200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003778900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001687700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002298100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004459700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001466800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003088400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001242700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001132500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003603600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000456400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002225800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000422400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001591500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000392400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001001900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005762200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000139100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000484200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001450200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003047000000000 ]- atom: 34 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003237500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004736700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001853400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004021400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001855800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003008200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002124700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000971500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002983300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000938000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000558800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006066600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004825800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000809200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004435900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005326400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006062000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001437000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000469900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301156300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002572200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000105900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002486900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003909300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000214100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003494000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001222000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000001700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000305000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001812300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001758900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000963300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099813000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0425020200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003697400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001882000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002369800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001446000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002295300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001017100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004115800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000644800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006778700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000981600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001147900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000018100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017349800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001337600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000093300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003272600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004903900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003387500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000653200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004413600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002278800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005827700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000253600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000500400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006471400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003424500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005916200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000682100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003164300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001616400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002407600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000206600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002445700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003649500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001553900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003024600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003806400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001899900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002503400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003473200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001099800000000 ]- atom: 35 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000003900000000, -0.0000000200000000, -0.0005237600000000 ] - [ 0.0000013000000000, -0.0000004800000000, 0.0002751500000000 ] - [ 0.0000012600000000, -0.0000004700000000, -0.0000125900000000 ] - [ 0.0000006700000000, 0.0000000400000000, 0.0002038400000000 ] - [ 0.0000001100000000, 0.0000000200000000, -0.0000129900000000 ] - [ 0.0000011700000000, -0.0000005100000000, 0.0001025500000000 ] - [ 0.0000008100000000, -0.0000005000000000, 0.0000144400000000 ] - [ 0.0000006100000000, -0.0000004900000000, -0.0002953500000000 ] - [ -0.0000000900000000, 0.0000000000000000, 0.0000993800000000 ] - [ -0.0000002800000000, 0.0000000300000000, -0.0001051100000000 ] - [ 0.0000010300000000, -0.0000004700000000, -0.0002539400000000 ] - [ 0.0000005900000000, -0.0000004900000000, 0.0004086000000000 ] - [ -0.0001893300000000, 0.0000015500000000, 0.0002836900000000 ] - [ 0.0000002300000000, -0.0000004800000000, -0.0001170000000000 ] - [ 0.0000007700000000, 0.0000006000000000, 0.0005588900000000 ] - [ 0.0000004000000000, -0.0000000100000000, 0.0003329800000000 ] - [ -0.0000002200000000, 0.0000000200000000, 0.0004083600000000 ] - [ -0.0000002000000000, -0.0000000100000000, -0.0003418000000000 ] - [ 0.0000005500000000, -0.0000000200000000, -0.0001519300000000 ] - [ 0.0000232600000000, -0.0000006200000000, 0.0003538500000000 ] - [ 0.0000008700000000, -0.0000004900000000, 0.0000591700000000 ] - [ 0.0000008500000000, -0.0000004800000000, -0.0002088200000000 ] - [ 0.0000000900000000, 0.0000000100000000, 0.0000508500000000 ] - [ 0.0107307500000000, -0.0002056100000000, 0.0004149200000000 ] - [ 0.0000003300000000, -0.0000000100000000, -0.0001774400000000 ] - [ 0.0000000900000000, 0.0000001300000000, -0.0002501300000000 ] - [ 0.0000004200000000, 0.0000001400000000, 0.0002218500000000 ] - [ 0.0000000900000000, 0.0000001300000000, 0.0000996000000000 ] - [ 0.0000011600000000, -0.0000000400000000, 0.0000691400000000 ] - [ 0.0000003300000000, 0.0000001300000000, -0.0000824900000000 ] - [ 0.0000006100000000, -0.0000000400000000, 0.0002756700000000 ] - [ 0.0000007000000000, -0.0000000400000000, 0.0001960400000000 ] - [ -0.0000717600000000, 0.0000007600000000, 0.0001848600000000 ] - [ -0.0000000100000000, 0.0000001600000000, -0.0000825700000000 ] - [ -0.0121687200000000, 0.0001674700000000, 0.0002100000000000 ] - [ 0.0000000000000000, -0.0000000400000000, 0.0002883800000000 ] - [ -0.0000007100000000, -0.0000000500000000, 0.0003367800000000 ] - [ 0.0000005100000000, -0.0000002300000000, -0.0000465100000000 ] - [ 0.0000011400000000, 0.0000001400000000, 0.0003293400000000 ] - [ 0.0000001000000000, 0.0000000400000000, -0.0000023800000000 ] - [ 0.0000002000000000, 0.0000000700000000, -0.0003129100000000 ] - [ 0.0000001900000000, 0.0000000300000000, 0.0000346000000000 ] - [ -0.0000004200000000, -0.0000001900000000, -0.0005790600000000 ] - [ -0.0000003400000000, 0.0000000400000000, 0.0000004400000000 ] - [ 0.0000007100000000, 0.0000001300000000, 0.0002138000000000 ] - [ 0.0009035000000000, -0.0000112300000000, 0.0000928300000000 ] - [ 0.0000006300000000, 0.0000001300000000, -0.0000545400000000 ] - [ 0.0000006600000000, -0.0000001600000000, -0.0000353000000000 ] - [ 0.0000000100000000, -0.0000000400000000, 0.0001093700000000 ] - [ 0.0000001700000000, -0.0000001800000000, -0.0002289100000000 ] - [ 0.0000001700000000, -0.0000001800000000, -0.0003921900000000 ] - [ -0.0000718100000000, -0.0000000200000000, 0.0004376900000000 ] - [ 0.0000005600000000, -0.0000000400000000, 0.0000343900000000 ] - [ 0.0000003800000000, -0.0000001900000000, -0.0003429700000000 ] - [ 0.0000003200000000, -0.0000001700000000, -0.0001298200000000 ] - [ -0.0000001100000000, 0.0000000500000000, -0.0004829200000000 ] - [ -0.0000001300000000, 0.0000001400000000, 0.0000740000000000 ] - [ 0.0008229900000000, 0.0000521600000000, 0.0001106300000000 ] - [ 0.0000002000000000, 0.0000000500000000, -0.0005491200000000 ] - [ 0.0000013000000000, -0.0000000400000000, -0.0002417100000000 ] - [ 0.0000001300000000, -0.0000000700000000, -0.0004548400000000 ] - [ 0.0000014800000000, -0.0000000500000000, 0.0000306600000000 ] - [ 0.0000001600000000, 0.0000000400000000, -0.0002174400000000 ] - [ -0.0000010200000000, 0.0000001400000000, 0.0002629500000000 ] - [ 0.0000009200000000, -0.0000000500000000, -0.0001408700000000 ] - [ -0.0000021600000000, -0.0000001800000000, 0.0001192900000000 ] - [ 0.0000001300000000, -0.0000001700000000, -0.0001459100000000 ] - [ 0.0000001400000000, 0.0000000400000000, -0.0002646600000000 ] - [ -0.0000002600000000, 0.0000001300000000, -0.0000558200000000 ] - [ 0.0000001100000000, -0.0000001700000000, -0.0002039200000000 ] - [ 0.0000006900000000, 0.0000001300000000, 0.0004805500000000 ] - [ 0.0000000000000000, 0.0000000400000000, -0.0000907400000000 ] - [ -0.0000004100000000, -0.0000001700000000, -0.0001519700000000 ] - [ 0.0000002200000000, 0.0000000500000000, -0.0002487400000000 ] - [ 0.0000008200000000, 0.0000001300000000, 0.0002096100000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007264300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000734900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002143700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000035400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002146500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000990800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001874500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004971600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001022100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003071300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004555700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002067000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003218400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003191100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003570800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001316300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002067100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005436800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003531100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001417800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001427100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004104700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001506300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0305843300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003787900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001477500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003238700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002013100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001710400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000203200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003780500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002988600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003373200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000120600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0420258200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003889200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004381400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000543800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004308600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000987000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002119200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001355500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004788200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001004800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003157400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017727400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000469800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000656600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002104900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001280400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002913900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005908100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001360300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002421500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000290600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003819800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001750300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0102514100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004477700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001399200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003526200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001317200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001165500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003643500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000388100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002189300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000452100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001638000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000448600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001028700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005828600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000100900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000518900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001475000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003117400000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003200800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004768300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001892700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004040900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001888500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003043700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002164600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000938800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003011100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000971900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000521400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006109300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002430500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000852700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007607000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005347600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006102700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001393100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000495000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005650600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002613700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000069700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002525400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0300057100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000240000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003578000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001142600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000076100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000384200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001905900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001674500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000873800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000262300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001724900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0425971900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001820300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002296300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001430400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002221300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000982800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004084200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000622000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006744600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000944600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001061400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016126000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001627700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001310000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000023800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003247100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004881700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002774500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000729100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004391600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002255000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005787600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000325200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0098868300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006455200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003488500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005500500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000764400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003131000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001573600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002483400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000242500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002415500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003604200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001617300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002998300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003730200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001862200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002468600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003448200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001019600000000 ]- atom: 36 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000001600000000, -0.0000000300000000, -0.0005237500000000 ] - [ 0.0107306900000000, 0.0002051400000000, 0.0005154400000000 ] - [ 0.0000015000000000, -0.0000004900000000, -0.0000125900000000 ] - [ 0.0000004700000000, 0.0000000300000000, 0.0002038600000000 ] - [ 0.0000004100000000, 0.0000000200000000, -0.0000129900000000 ] - [ 0.0000012300000000, -0.0000005100000000, 0.0001025500000000 ] - [ 0.0000007100000000, -0.0000005000000000, 0.0000144500000000 ] - [ 0.0000012000000000, -0.0000004900000000, -0.0002953500000000 ] - [ -0.0000002200000000, -0.0000000100000000, 0.0000993800000000 ] - [ -0.0000000200000000, 0.0000000200000000, -0.0001051100000000 ] - [ 0.0000009300000000, -0.0000004700000000, -0.0002539400000000 ] - [ 0.0000005600000000, -0.0000005000000000, 0.0004086100000000 ] - [ 0.0000006500000000, -0.0000005100000000, 0.0002845900000000 ] - [ 0.0000005700000000, -0.0000004900000000, -0.0001169900000000 ] - [ 0.0000006400000000, 0.0000000300000000, 0.0005582500000000 ] - [ -0.0001892900000000, -0.0000020700000000, 0.0003320100000000 ] - [ 0.0000223100000000, 0.0000001100000000, 0.0004084600000000 ] - [ 0.0000000200000000, -0.0000000200000000, -0.0003418000000000 ] - [ -0.0000000300000000, -0.0000000200000000, -0.0001519300000000 ] - [ 0.0000004100000000, -0.0000005300000000, 0.0003537400000000 ] - [ 0.0000006200000000, -0.0000005000000000, 0.0000591700000000 ] - [ 0.0000008900000000, -0.0000004800000000, -0.0002088100000000 ] - [ 0.0000004800000000, 0.0000000100000000, 0.0000508400000000 ] - [ -0.0000004000000000, 0.0000000300000000, 0.0001746200000000 ] - [ 0.0000002900000000, -0.0000000100000000, -0.0001774400000000 ] - [ 0.0000002300000000, 0.0000001300000000, -0.0002502000000000 ] - [ -0.0000010400000000, 0.0000001300000000, 0.0002218100000000 ] - [ 0.0000002900000000, 0.0000001300000000, 0.0000995600000000 ] - [ 0.0000011200000000, -0.0000000400000000, 0.0000690900000000 ] - [ -0.0000003000000000, 0.0000001300000000, -0.0000825500000000 ] - [ 0.0000009800000000, -0.0000000400000000, 0.0002756300000000 ] - [ 0.0000014300000000, -0.0000000500000000, 0.0001960000000000 ] - [ 0.0000013100000000, -0.0000000400000000, 0.0001843500000000 ] - [ 0.0000001900000000, 0.0000000000000000, -0.0000825100000000 ] - [ -0.0000002600000000, 0.0000001300000000, 0.0004634500000000 ] - [ -0.0121620600000000, -0.0001552200000000, 0.0000349900000000 ] - [ 0.0000009100000000, -0.0000000400000000, 0.0003367500000000 ] - [ 0.0000002000000000, -0.0000002400000000, -0.0000464600000000 ] - [ -0.0000717200000000, -0.0000006400000000, 0.0003297600000000 ] - [ -0.0000025500000000, 0.0000000700000000, -0.0000023100000000 ] - [ -0.0000002000000000, 0.0000000800000000, -0.0003128400000000 ] - [ 0.0008220600000000, -0.0000522700000000, 0.0000578800000000 ] - [ 0.0000005800000000, -0.0000001800000000, -0.0005789800000000 ] - [ -0.0000003200000000, 0.0000000400000000, 0.0000004800000000 ] - [ -0.0000717900000000, 0.0000001300000000, 0.0002134800000000 ] - [ 0.0000002800000000, 0.0000000200000000, 0.0001009500000000 ] - [ 0.0000000800000000, 0.0000001300000000, -0.0000546000000000 ] - [ 0.0000003800000000, -0.0000003200000000, -0.0000352600000000 ] - [ 0.0000010100000000, -0.0000000400000000, 0.0001093200000000 ] - [ 0.0000003600000000, -0.0000001800000000, -0.0002288500000000 ] - [ 0.0000005300000000, -0.0000001700000000, -0.0003921200000000 ] - [ 0.0000014800000000, -0.0000000400000000, 0.0004379400000000 ] - [ 0.0000007200000000, -0.0000000400000000, 0.0000343400000000 ] - [ 0.0000004900000000, -0.0000001900000000, -0.0003429000000000 ] - [ 0.0008988700000000, 0.0000109800000000, -0.0001376800000000 ] - [ -0.0000002600000000, 0.0000000500000000, -0.0004828500000000 ] - [ 0.0000003800000000, 0.0000001400000000, 0.0000739600000000 ] - [ 0.0000003700000000, -0.0000001500000000, 0.0000874400000000 ] - [ -0.0000002000000000, 0.0000000500000000, -0.0005490500000000 ] - [ 0.0000001600000000, -0.0000000500000000, -0.0002417600000000 ] - [ -0.0000002700000000, -0.0000000700000000, -0.0004547500000000 ] - [ 0.0000006200000000, -0.0000000500000000, 0.0000306100000000 ] - [ -0.0000000800000000, 0.0000000400000000, -0.0002173800000000 ] - [ 0.0000006000000000, 0.0000001300000000, 0.0002629200000000 ] - [ 0.0000003900000000, -0.0000000500000000, -0.0001409200000000 ] - [ 0.0000004700000000, -0.0000001600000000, 0.0001193200000000 ] - [ 0.0000005500000000, -0.0000001600000000, -0.0001458500000000 ] - [ -0.0000002400000000, 0.0000000400000000, -0.0002645900000000 ] - [ 0.0000008500000000, 0.0000001300000000, -0.0000558700000000 ] - [ 0.0000004600000000, -0.0000001700000000, -0.0002038600000000 ] - [ -0.0000010300000000, 0.0000001300000000, 0.0004805200000000 ] - [ 0.0000002800000000, 0.0000000400000000, -0.0000906800000000 ] - [ 0.0000000300000000, -0.0000001700000000, -0.0001519100000000 ] - [ -0.0000008000000000, 0.0000000500000000, -0.0002486800000000 ] - [ -0.0000003300000000, 0.0000001300000000, 0.0002095700000000 ]- atom: 36 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007257600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0306849700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002130500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000016100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002149200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000991300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001874200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004972700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001028600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003072000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004558100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002067800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000826700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003193300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003577300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003692200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001966500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005433600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003539800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001509000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001426000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004105400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001509000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000273900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003794100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001514400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003202800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001990900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001681200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000157200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003746100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002944000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002838200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000214100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005613600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0421944900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004364200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000573800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004791800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001009500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002082800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0101995300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004744500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001038000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003636100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002048000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000441100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000623900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002081400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001247400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002880900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005363200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001332700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002389100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015336700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003784300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001739000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001911400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004448100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001437300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003492400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001298000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001132200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003623800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000422000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002233700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000416700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001604900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000431700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000993700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005788400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000154600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000485000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001452100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003072500000000 ]- atom: 36 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003209400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0299088100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001881200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004062000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001892100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003044600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002164800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000936800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003017500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000973200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000518500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006107700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004866300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000854900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007602000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002927500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006208300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001396100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000504100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005560900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002613800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000068600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002529000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003772500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000246600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003539400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001186300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000048500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000350900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001857200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001717100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000924700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000803700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001821300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003607300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0424109600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002326800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001458100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001750300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001010700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004119200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099417200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006787300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000985800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000576700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000017600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001594700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001291100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000052900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003282400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004916000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003343100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000696800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004422700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018358600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005823600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000309600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000120600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006483800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003448800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005533700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000745600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003167400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001591000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002446700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000193900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002465400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003638700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001599300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003035400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003777300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001902600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002507600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003473500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001070300000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000007100000000, 0.0000000200000000, -0.0005237200000000 ] - [ 0.0000014600000000, -0.0000004400000000, 0.0002751900000000 ] - [ 0.0000005400000000, -0.0000004400000000, -0.0000125600000000 ] - [ 0.0000222900000000, 0.0000001700000000, 0.0002039800000000 ] - [ -0.0000000600000000, 0.0000000600000000, -0.0000129600000000 ] - [ 0.0000007000000000, -0.0000004700000000, 0.0001025900000000 ] - [ 0.0000008900000000, -0.0000004500000000, 0.0000144800000000 ] - [ 0.0000013600000000, -0.0000004400000000, -0.0002953200000000 ] - [ 0.0000004800000000, 0.0000000400000000, 0.0000994100000000 ] - [ 0.0000002200000000, 0.0000000600000000, -0.0001050700000000 ] - [ 0.0000005100000000, -0.0000004300000000, -0.0002539000000000 ] - [ 0.0107301900000000, 0.0002051500000000, 0.0006488900000000 ] - [ 0.0000005600000000, -0.0000004700000000, 0.0002846200000000 ] - [ 0.0000011200000000, -0.0000004400000000, -0.0001169600000000 ] - [ -0.0000003800000000, 0.0000000800000000, 0.0005582800000000 ] - [ -0.0000002600000000, 0.0000000400000000, 0.0003330200000000 ] - [ -0.0001894100000000, -0.0000020000000000, 0.0004074400000000 ] - [ 0.0000001800000000, 0.0000000300000000, -0.0003417700000000 ] - [ 0.0000000100000000, 0.0000000200000000, -0.0001519000000000 ] - [ 0.0000005900000000, -0.0000004800000000, 0.0003537700000000 ] - [ 0.0000011800000000, -0.0000004500000000, 0.0000592100000000 ] - [ 0.0000009100000000, -0.0000004300000000, -0.0002087800000000 ] - [ 0.0000004000000000, 0.0000000500000000, 0.0000508800000000 ] - [ 0.0000004600000000, 0.0000000700000000, 0.0001746600000000 ] - [ -0.0000000900000000, 0.0000000400000000, -0.0001774100000000 ] - [ 0.0000008000000000, 0.0000001800000000, -0.0002501600000000 ] - [ -0.0000003600000000, 0.0000001800000000, 0.0002218400000000 ] - [ 0.0000003400000000, 0.0000001700000000, 0.0000995800000000 ] - [ 0.0000003500000000, 0.0000000000000000, 0.0000691200000000 ] - [ 0.0000002100000000, 0.0000001800000000, -0.0000825300000000 ] - [ 0.0000013900000000, 0.0000000000000000, 0.0002756600000000 ] - [ 0.0000009800000000, 0.0000000000000000, 0.0001960400000000 ] - [ 0.0000014400000000, 0.0000000000000000, 0.0001844000000000 ] - [ 0.0000002300000000, 0.0000000500000000, -0.0000824800000000 ] - [ -0.0000010600000000, 0.0000001700000000, 0.0004635000000000 ] - [ 0.0000009500000000, 0.0000000000000000, 0.0002883700000000 ] - [ -0.0121589600000000, -0.0001584600000000, 0.0000806300000000 ] - [ 0.0000004700000000, -0.0000001900000000, -0.0000464200000000 ] - [ -0.0000718500000000, 0.0000001800000000, 0.0003290500000000 ] - [ 0.0000004700000000, 0.0000000000000000, -0.0000020000000000 ] - [ -0.0000008300000000, 0.0000001300000000, -0.0003127900000000 ] - [ -0.0000025900000000, 0.0000001100000000, 0.0000347000000000 ] - [ 0.0000004500000000, -0.0000001400000000, -0.0005789400000000 ] - [ 0.0008221700000000, -0.0000522300000000, 0.0000237600000000 ] - [ -0.0000010700000000, 0.0000001700000000, 0.0002137800000000 ] - [ -0.0000003700000000, 0.0000000700000000, 0.0001009900000000 ] - [ -0.0000003100000000, 0.0000001700000000, -0.0000545800000000 ] - [ 0.0008991300000000, 0.0000110400000000, -0.0000431200000000 ] - [ 0.0000006900000000, 0.0000000000000000, 0.0001093400000000 ] - [ 0.0000004900000000, -0.0000001300000000, -0.0002288100000000 ] - [ 0.0000005400000000, -0.0000001300000000, -0.0003920800000000 ] - [ 0.0000008800000000, 0.0000000100000000, 0.0004379700000000 ] - [ 0.0000010900000000, 0.0000000000000000, 0.0000343700000000 ] - [ 0.0000002000000000, -0.0000001500000000, -0.0003428500000000 ] - [ 0.0000000000000000, -0.0000001300000000, -0.0001297300000000 ] - [ -0.0000002400000000, 0.0000001000000000, -0.0004828100000000 ] - [ -0.0000003500000000, 0.0000001800000000, 0.0000739900000000 ] - [ 0.0000004300000000, -0.0000001000000000, 0.0000874800000000 ] - [ -0.0000002400000000, 0.0000001000000000, -0.0005490100000000 ] - [ 0.0000005800000000, 0.0000000000000000, -0.0002417200000000 ] - [ 0.0000003800000000, -0.0000000200000000, -0.0004547100000000 ] - [ 0.0000003500000000, 0.0000000000000000, 0.0000306300000000 ] - [ -0.0000008400000000, 0.0000000900000000, -0.0002173400000000 ] - [ 0.0000009500000000, 0.0000001800000000, 0.0002629400000000 ] - [ 0.0000001300000000, 0.0000000000000000, -0.0001409000000000 ] - [ 0.0000003600000000, -0.0000002700000000, 0.0001193500000000 ] - [ 0.0000004300000000, -0.0000001200000000, -0.0001458100000000 ] - [ -0.0000003000000000, 0.0000000800000000, -0.0002645500000000 ] - [ 0.0000005700000000, 0.0000001700000000, -0.0000558400000000 ] - [ 0.0000003300000000, -0.0000001300000000, -0.0002038200000000 ] - [ -0.0000719400000000, -0.0000006100000000, 0.0004810000000000 ] - [ -0.0000001100000000, 0.0000000800000000, -0.0000906400000000 ] - [ 0.0000005100000000, -0.0000001300000000, -0.0001518700000000 ] - [ -0.0000002900000000, 0.0000000900000000, -0.0002486400000000 ] - [ 0.0000002500000000, 0.0000001800000000, 0.0002095900000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007262800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000746600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002145600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000081400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002151100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000992700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001873900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004971800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001024500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003069900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004562600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0308182800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000825600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003186800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003569100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001308800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004442700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005434000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003537800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001513300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001424400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004107200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001511300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000272500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003797000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001511600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003194200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001995400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001677200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000162100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003739500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002948300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002828800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000213800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005613200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003873200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0421430600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000577800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004789800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001035700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002090200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001379200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004750000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0101657100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003121000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002046400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000420800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016290100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002081400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001248200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002878600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005369600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001334100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002389800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000265000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003787300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001722700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001917100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004449600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001420000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003482700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001294300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001140600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003620600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000429000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002171700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000416100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001603700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000432500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000998700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006301400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000135100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000477600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001447300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003090800000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003197500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004755700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001894000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004160200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001892600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003044500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002162600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000941300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003012500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000969800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000515800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0297736400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004865600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000846600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007612100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005354300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003682000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001395600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000500800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005552400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002611400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000068200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002530000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003771000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000246700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003573200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001158100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000086900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000379900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001894200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001686500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000885000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000780400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001783600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003573700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001809400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0424454200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001430000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001695000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000980300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004077100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000601600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006748200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099718000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001068900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000056700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001608100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017378500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000018200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003245600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004883100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003303700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000731100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004388900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002247600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005785800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000325800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000088300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006448600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003495300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005505100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000772700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003122000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001566500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002470900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000292600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002417200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003604500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001630200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002994100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003228600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001860500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002486200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003442000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001017400000000 ]- atom: 38 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0109790600000000, 0.0002038000000000, -0.0007646100000000 ] - [ 0.0000001700000000, -0.0000003600000000, 0.0002750200000000 ] - [ 0.0000006600000000, -0.0000003600000000, -0.0000127200000000 ] - [ -0.0000003600000000, 0.0000001500000000, 0.0002037300000000 ] - [ -0.0000000800000000, 0.0000001400000000, -0.0000131200000000 ] - [ 0.0000002800000000, -0.0000003900000000, 0.0001024300000000 ] - [ 0.0000006600000000, -0.0000003800000000, 0.0000143200000000 ] - [ -0.0000731600000000, 0.0000012100000000, -0.0002924800000000 ] - [ -0.0000002800000000, 0.0000001100000000, 0.0000992500000000 ] - [ -0.0000003400000000, 0.0000001400000000, -0.0001052300000000 ] - [ 0.0000001200000000, -0.0000003500000000, -0.0002540700000000 ] - [ 0.0000017300000000, -0.0000003800000000, 0.0004084700000000 ] - [ 0.0000011800000000, -0.0000004000000000, 0.0002844600000000 ] - [ 0.0000013000000000, -0.0000003600000000, -0.0001171100000000 ] - [ 0.0000059700000000, 0.0000005900000000, 0.0005580000000000 ] - [ 0.0000002000000000, 0.0000001100000000, 0.0003328600000000 ] - [ 0.0000004000000000, 0.0000001400000000, 0.0004082400000000 ] - [ 0.0000007100000000, 0.0000001000000000, -0.0003419200000000 ] - [ -0.0000002200000000, 0.0000000900000000, -0.0001520500000000 ] - [ 0.0000014600000000, -0.0000004100000000, 0.0003536100000000 ] - [ 0.0000008300000000, -0.0000003800000000, 0.0000590500000000 ] - [ 0.0000002800000000, -0.0000003600000000, -0.0002089400000000 ] - [ 0.0000000800000000, 0.0000001300000000, 0.0000507200000000 ] - [ 0.0000003500000000, 0.0000001500000000, 0.0001744900000000 ] - [ 0.0000003200000000, 0.0000001200000000, -0.0001775700000000 ] - [ 0.0000001700000000, 0.0000002400000000, -0.0002500400000000 ] - [ -0.0000001900000000, 0.0000002500000000, 0.0002219500000000 ] - [ -0.0000003500000000, 0.0000002500000000, 0.0000996900000000 ] - [ 0.0000004600000000, 0.0000000700000000, 0.0000692300000000 ] - [ -0.0000002100000000, 0.0000002400000000, -0.0000824100000000 ] - [ 0.0000004000000000, 0.0000000700000000, 0.0002757700000000 ] - [ 0.0000005500000000, 0.0000000700000000, 0.0001961400000000 ] - [ -0.0000002100000000, 0.0000000800000000, 0.0001845000000000 ] - [ -0.0000015800000000, 0.0000001200000000, -0.0000824800000000 ] - [ 0.0000001100000000, 0.0000002400000000, 0.0004635900000000 ] - [ 0.0000001900000000, 0.0000000700000000, 0.0002884800000000 ] - [ 0.0000004600000000, 0.0000000700000000, 0.0003368900000000 ] - [ -0.0127848700000000, -0.0001472800000000, 0.0002010100000000 ] - [ -0.0000008100000000, 0.0000002600000000, 0.0003294400000000 ] - [ -0.0000008500000000, 0.0000001500000000, -0.0000023000000000 ] - [ 0.0000907300000000, 0.0000004200000000, -0.0003120400000000 ] - [ -0.0000006100000000, 0.0000001500000000, 0.0000346800000000 ] - [ 0.0000013700000000, -0.0000000700000000, -0.0005789600000000 ] - [ -0.0000008400000000, 0.0000001500000000, 0.0000005200000000 ] - [ -0.0000002700000000, 0.0000002500000000, 0.0002138900000000 ] - [ -0.0000011200000000, 0.0000001400000000, 0.0001009900000000 ] - [ -0.0000082200000000, 0.0000003100000000, -0.0000544400000000 ] - [ 0.0000003500000000, -0.0000000500000000, -0.0000352200000000 ] - [ 0.0000004800000000, 0.0000000700000000, 0.0001094500000000 ] - [ 0.0000006800000000, -0.0000000600000000, -0.0002288200000000 ] - [ 0.0000009600000000, -0.0000000600000000, -0.0003921000000000 ] - [ 0.0000004900000000, 0.0000000700000000, 0.0004380700000000 ] - [ 0.0000002500000000, 0.0000000700000000, 0.0000344900000000 ] - [ 0.0000016300000000, -0.0000000700000000, -0.0003428700000000 ] - [ 0.0000005800000000, -0.0000000500000000, -0.0001297400000000 ] - [ -0.0000000200000000, 0.0000001700000000, -0.0004828300000000 ] - [ -0.0000008800000000, 0.0000002600000000, 0.0000741100000000 ] - [ -0.0000007700000000, -0.0000000300000000, 0.0000874800000000 ] - [ 0.0000000800000000, 0.0000001700000000, -0.0005490300000000 ] - [ -0.0000000600000000, 0.0000000800000000, -0.0002416000000000 ] - [ -0.0000355700000000, -0.0000012700000000, -0.0004550400000000 ] - [ 0.0008999900000000, -0.0000086600000000, 0.0000440900000000 ] - [ -0.0000001700000000, 0.0000001700000000, -0.0002173500000000 ] - [ 0.0009185200000000, -0.0000510600000000, 0.0002398700000000 ] - [ 0.0000005000000000, 0.0000001000000000, -0.0001404000000000 ] - [ -0.0000000100000000, -0.0000000400000000, 0.0001193600000000 ] - [ 0.0000003300000000, -0.0000000500000000, -0.0001458300000000 ] - [ -0.0000003700000000, 0.0000001600000000, -0.0002645700000000 ] - [ -0.0000025200000000, 0.0000002600000000, -0.0000557900000000 ] - [ 0.0000010700000000, -0.0000000600000000, -0.0002038400000000 ] - [ -0.0000000300000000, 0.0000002500000000, 0.0004806500000000 ] - [ -0.0000004100000000, 0.0000001600000000, -0.0000906500000000 ] - [ 0.0000001200000000, -0.0000000500000000, -0.0001518700000000 ] - [ -0.0000005300000000, 0.0000001600000000, -0.0002486500000000 ] - [ -0.0000003500000000, 0.0000002500000000, 0.0002097100000000 ]- atom: 38 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0297310300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000760200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002117800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000049900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002115800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000959200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001851500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001719200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000996000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003033700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004524900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002103700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000861700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003157100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003488400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001348300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002101800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005396200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003502900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001551400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001392400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004076300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001477600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000240000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003760600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001515100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003201800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001978500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001678200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000158500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003737700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002946000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002823400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000177500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005620500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003865100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004352200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0423137400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004268300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000978800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001713100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001348600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004786100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001009100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003120500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002010100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000421400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000664800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002076500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001278200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002912300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005360400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001328200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002422500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000278100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003825800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001717800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001876200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004484300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001438500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003159900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017549000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001167500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0102555300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000412700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002192400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000450900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001646600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000416500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001026800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005789200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000098000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000516700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001484600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003081800000000 ]- atom: 38 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0310028200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004732700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001856100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004017500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001847900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003002100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002130700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004110900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002974300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000924700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000563100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006062700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004819800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000809200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007681600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005305500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006057300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001441700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000457000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005505200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002570400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000106800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002486800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003730300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000201900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003542400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001174300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000044900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000355500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001865300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001712200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000912000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000814700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001769200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003590800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001839600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002320200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0425743100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002256400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000956400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004458300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000584200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006730500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000930100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001093600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000076500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001573100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001299800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000047900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003232700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004866600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003336400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000700000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004374300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002250100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005764800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000296200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000065400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006433700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003450800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005851700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016496700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003111900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099194300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002451000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000259500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002399400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003578400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001589300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002982600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003763500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001841200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002452200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003422100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001051400000000 ]- atom: 39 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000004500000000, -0.0000000100000000, -0.0005236900000000 ] - [ -0.0001884700000000, 0.0000016000000000, 0.0002742600000000 ] - [ 0.0000005600000000, -0.0000004700000000, -0.0000125200000000 ] - [ -0.0000003000000000, 0.0000000500000000, 0.0002039300000000 ] - [ -0.0000001700000000, 0.0000000300000000, -0.0000129300000000 ] - [ 0.0000013100000000, -0.0000004900000000, 0.0001026300000000 ] - [ 0.0000008500000000, -0.0000004800000000, 0.0000145100000000 ] - [ 0.0000011000000000, -0.0000004700000000, -0.0002952800000000 ] - [ -0.0000002000000000, 0.0000000100000000, 0.0000994400000000 ] - [ 0.0000000500000000, 0.0000000300000000, -0.0001050400000000 ] - [ 0.0000007500000000, -0.0000004600000000, -0.0002538800000000 ] - [ 0.0000231500000000, -0.0000005800000000, 0.0004087600000000 ] - [ 0.0000013700000000, -0.0000005000000000, 0.0002846600000000 ] - [ 0.0000008500000000, -0.0000004700000000, -0.0001169300000000 ] - [ -0.0000003900000000, 0.0000000500000000, 0.0005583100000000 ] - [ 0.0000007200000000, 0.0000000200000000, 0.0003330400000000 ] - [ 0.0107296300000000, -0.0002055900000000, 0.0006487300000000 ] - [ 0.0000003200000000, 0.0000000000000000, -0.0003417300000000 ] - [ -0.0000002400000000, -0.0000000100000000, -0.0001518600000000 ] - [ 0.0000004500000000, -0.0000005100000000, 0.0003538100000000 ] - [ 0.0000013400000000, -0.0000004800000000, 0.0000592400000000 ] - [ 0.0000011100000000, -0.0000004600000000, -0.0002087400000000 ] - [ 0.0000003600000000, 0.0000000200000000, 0.0000509000000000 ] - [ -0.0000002200000000, 0.0000000400000000, 0.0001746900000000 ] - [ 0.0000001300000000, 0.0000000100000000, -0.0001773800000000 ] - [ -0.0000001600000000, 0.0000001400000000, -0.0002500700000000 ] - [ 0.0000011200000000, 0.0000001500000000, 0.0002219300000000 ] - [ 0.0000004100000000, 0.0000001500000000, 0.0000996700000000 ] - [ 0.0000000000000000, -0.0000000300000000, 0.0000692200000000 ] - [ 0.0000000800000000, 0.0000001400000000, -0.0000824200000000 ] - [ -0.0000007300000000, -0.0000000300000000, 0.0002757400000000 ] - [ -0.0000000200000000, -0.0000000300000000, 0.0001961200000000 ] - [ 0.0000000400000000, -0.0000000300000000, 0.0001844700000000 ] - [ -0.0000000400000000, 0.0000000200000000, -0.0000825000000000 ] - [ 0.0000011700000000, 0.0000001400000000, 0.0004635700000000 ] - [ -0.0000714700000000, -0.0000000100000000, 0.0002881700000000 ] - [ -0.0000714600000000, 0.0000007600000000, 0.0003373100000000 ] - [ -0.0000004700000000, -0.0000002300000000, -0.0000464500000000 ] - [ -0.0121616300000000, 0.0001670300000000, 0.0000712500000000 ] - [ -0.0000003500000000, 0.0000000500000000, -0.0000023100000000 ] - [ -0.0000001200000000, 0.0000000900000000, -0.0003128300000000 ] - [ 0.0008982900000000, -0.0000111000000000, 0.0000267600000000 ] - [ 0.0000001600000000, -0.0000001700000000, -0.0005789900000000 ] - [ 0.0000000000000000, 0.0000002000000000, 0.0000005000000000 ] - [ 0.0000006800000000, 0.0000001500000000, 0.0002138800000000 ] - [ 0.0000000600000000, 0.0000000300000000, 0.0001009800000000 ] - [ 0.0000009900000000, 0.0000001500000000, -0.0000544900000000 ] - [ 0.0008223500000000, 0.0000521600000000, -0.0000120000000000 ] - [ 0.0000006000000000, -0.0000000300000000, 0.0001094400000000 ] - [ 0.0000001200000000, -0.0000001600000000, -0.0002288400000000 ] - [ 0.0000001000000000, -0.0000001600000000, -0.0003921200000000 ] - [ -0.0000007200000000, -0.0000000300000000, 0.0004380500000000 ] - [ 0.0000006900000000, -0.0000000300000000, 0.0000344600000000 ] - [ 0.0000001500000000, -0.0000001800000000, -0.0003429100000000 ] - [ -0.0000021700000000, -0.0000001900000000, -0.0001297500000000 ] - [ 0.0000002200000000, 0.0000000600000000, -0.0004828500000000 ] - [ 0.0000008100000000, 0.0000001500000000, 0.0000740900000000 ] - [ 0.0000006800000000, -0.0000001300000000, 0.0000874700000000 ] - [ 0.0000001300000000, 0.0000000600000000, -0.0005490500000000 ] - [ 0.0000011500000000, -0.0000000300000000, -0.0002416300000000 ] - [ 0.0000006500000000, -0.0000000500000000, -0.0004547500000000 ] - [ 0.0000009100000000, -0.0000000300000000, 0.0000307300000000 ] - [ 0.0000000800000000, 0.0000000600000000, -0.0002173700000000 ] - [ 0.0000000800000000, 0.0000001500000000, 0.0002630500000000 ] - [ 0.0000005600000000, -0.0000000300000000, -0.0001408000000000 ] - [ 0.0000000800000000, -0.0000001500000000, 0.0001193400000000 ] - [ 0.0000003000000000, -0.0000001500000000, -0.0001458400000000 ] - [ 0.0000001600000000, 0.0000000500000000, -0.0002645800000000 ] - [ 0.0000003100000000, 0.0000001400000000, -0.0000557400000000 ] - [ -0.0000004300000000, -0.0000001600000000, -0.0002038600000000 ] - [ 0.0000006100000000, 0.0000001400000000, 0.0004806200000000 ] - [ 0.0000001700000000, 0.0000000500000000, -0.0000906800000000 ] - [ 0.0000006500000000, -0.0000001500000000, -0.0001519000000000 ] - [ -0.0000000200000000, 0.0000000500000000, -0.0002486800000000 ] - [ 0.0000007000000000, 0.0000001500000000, 0.0002097000000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007251800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003109200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002146000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000020100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002146200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000992700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001876000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004975000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001024300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003066800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004558800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001971700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000824100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003187900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003570500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001328500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0308182500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005429600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003540600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001510900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001424100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004105900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001506700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000268100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003792800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001521400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003202900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001985800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001672800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000161900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003739000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002935000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002823300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000217400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005618600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004380900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004863000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000570300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0421611000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001013100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002080000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016981100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004745800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000986700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003127900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002057000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000433900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0101295400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002086200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001245800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002877200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005356900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001342400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002386900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000263200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003780500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001731000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001914200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004446400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001427500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003478100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001291300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001127200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003625900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000422000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002229300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000415400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001601900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000439000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001001600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005800500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000139300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000456600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001443400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003085800000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003211400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002352800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001897900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004060800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001891800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003049000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002169300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000932700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003017100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000970700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000515100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006211300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004871300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000852300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007611200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005339800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0297752800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001397400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000507500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005561500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002614400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000065200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002529200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003770400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000248100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003526100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001190500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000037500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000336300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001855600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001729300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000939000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000822700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001823300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003606500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001327600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001829200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001456200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0424410300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001014900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004123600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016712100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006787700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000936700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001104300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000009400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001581900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100113700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000053800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003285300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004921100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003354600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000700500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004426600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002288100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005828700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000295100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000122600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006486900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003452700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005549900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000732100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003173800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001595300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002441000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000198000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002456300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003643500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001600200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003028900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003772500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001916000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002518900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003483800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001062700000000 ]- atom: 40 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000004600000000, 0.0000000600000000, -0.0005238800000000 ] - [ 0.0000014200000000, -0.0000003900000000, 0.0002750400000000 ] - [ 0.0109713600000000, -0.0002041900000000, -0.0002534800000000 ] - [ -0.0000008300000000, 0.0000001100000000, 0.0002037200000000 ] - [ 0.0000003800000000, 0.0000001000000000, -0.0000131100000000 ] - [ 0.0000004200000000, -0.0000004300000000, 0.0001024400000000 ] - [ 0.0000001700000000, -0.0000004100000000, 0.0000143300000000 ] - [ 0.0000008700000000, -0.0000004100000000, -0.0002954800000000 ] - [ -0.0000296900000000, -0.0000001600000000, 0.0000991600000000 ] - [ -0.0000010900000000, 0.0000001000000000, -0.0001052200000000 ] - [ 0.0000006500000000, -0.0000003900000000, -0.0002540600000000 ] - [ 0.0000004700000000, -0.0000004100000000, 0.0004084800000000 ] - [ 0.0000010700000000, -0.0000004300000000, 0.0002844600000000 ] - [ 0.0000005900000000, -0.0000004000000000, -0.0001171100000000 ] - [ -0.0000002400000000, 0.0000001200000000, 0.0005581200000000 ] - [ -0.0000751000000000, -0.0000015200000000, 0.0003358300000000 ] - [ 0.0000003300000000, 0.0000001000000000, 0.0004082500000000 ] - [ -0.0000005300000000, 0.0000000700000000, -0.0003419300000000 ] - [ 0.0000007100000000, 0.0000000600000000, -0.0001520500000000 ] - [ 0.0000004300000000, -0.0000004400000000, 0.0003536100000000 ] - [ 0.0000003400000000, -0.0000004100000000, 0.0000590600000000 ] - [ 0.0000008400000000, -0.0000003900000000, -0.0002089300000000 ] - [ -0.0000013500000000, 0.0000000900000000, 0.0000507300000000 ] - [ -0.0000006400000000, 0.0000001100000000, 0.0001744900000000 ] - [ -0.0000005100000000, 0.0000000800000000, -0.0001775600000000 ] - [ -0.0000002900000000, 0.0000002200000000, -0.0002500500000000 ] - [ -0.0000001600000000, 0.0000001200000000, 0.0002219500000000 ] - [ -0.0000001400000000, 0.0000002200000000, 0.0000996900000000 ] - [ 0.0000000800000000, 0.0000000400000000, 0.0000692200000000 ] - [ -0.0000003700000000, 0.0000002100000000, -0.0000824200000000 ] - [ 0.0008223500000000, 0.0000521400000000, 0.0002525400000000 ] - [ -0.0000001600000000, 0.0000000400000000, 0.0001961400000000 ] - [ -0.0000006700000000, 0.0000000400000000, 0.0001845000000000 ] - [ 0.0000001800000000, 0.0000000900000000, -0.0000824600000000 ] - [ 0.0000000600000000, 0.0000002100000000, 0.0004635900000000 ] - [ -0.0000023800000000, 0.0000000200000000, 0.0002884100000000 ] - [ 0.0000006100000000, 0.0000001200000000, 0.0003366000000000 ] - [ -0.0000005500000000, -0.0000001500000000, -0.0000464000000000 ] - [ -0.0000004700000000, 0.0000002200000000, 0.0003294500000000 ] - [ -0.0127752000000000, 0.0001446300000000, 0.0002456400000000 ] - [ -0.0000005100000000, 0.0000001600000000, -0.0003127900000000 ] - [ 0.0000011600000000, 0.0000001200000000, 0.0000346900000000 ] - [ -0.0000000700000000, -0.0000001000000000, -0.0005789400000000 ] - [ 0.0000008900000000, 0.0000001200000000, 0.0000005300000000 ] - [ 0.0008996000000000, 0.0000089200000000, 0.0002270900000000 ] - [ 0.0000004700000000, 0.0000001100000000, 0.0001009900000000 ] - [ -0.0000001600000000, 0.0000002200000000, -0.0000544600000000 ] - [ 0.0000003300000000, -0.0000000800000000, -0.0000352100000000 ] - [ 0.0000003800000000, 0.0000000400000000, 0.0001094500000000 ] - [ -0.0000000500000000, -0.0000000900000000, -0.0002288000000000 ] - [ -0.0000001300000000, -0.0000000900000000, -0.0003920700000000 ] - [ 0.0000000000000000, 0.0000000500000000, 0.0004380800000000 ] - [ 0.0000003600000000, 0.0000000500000000, 0.0000344800000000 ] - [ -0.0000001200000000, -0.0000001100000000, -0.0003428400000000 ] - [ 0.0000908400000000, -0.0000003300000000, -0.0001289400000000 ] - [ 0.0000006400000000, 0.0000001400000000, -0.0004828100000000 ] - [ -0.0000009300000000, 0.0000002100000000, 0.0000740900000000 ] - [ -0.0000001000000000, -0.0000000600000000, 0.0000875000000000 ] - [ 0.0000000400000000, 0.0000001300000000, -0.0005490000000000 ] - [ 0.0000004400000000, 0.0000000400000000, -0.0002416200000000 ] - [ -0.0000001900000000, 0.0000000200000000, -0.0004547100000000 ] - [ 0.0000003700000000, 0.0000000400000000, 0.0000307300000000 ] - [ 0.0000009400000000, 0.0000001300000000, -0.0002173400000000 ] - [ -0.0000004500000000, 0.0000002200000000, 0.0002630400000000 ] - [ 0.0000003000000000, 0.0000000400000000, -0.0001407900000000 ] - [ 0.0000002600000000, -0.0000000800000000, 0.0001193600000000 ] - [ 0.0000003600000000, -0.0000000800000000, -0.0001458100000000 ] - [ 0.0000003900000000, 0.0000001200000000, -0.0002645500000000 ] - [ -0.0000004500000000, 0.0000002100000000, -0.0000557400000000 ] - [ 0.0000001300000000, -0.0000000900000000, -0.0002038200000000 ] - [ 0.0000000300000000, 0.0000002200000000, 0.0004806500000000 ] - [ 0.0000010800000000, 0.0000001200000000, -0.0000906500000000 ] - [ 0.0000908500000000, 0.0000005400000000, -0.0001521800000000 ] - [ 0.0000007600000000, 0.0000001300000000, -0.0002486300000000 ] - [ -0.0000000100000000, 0.0000002200000000, 0.0002097000000000 ]- atom: 40 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007238900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000770300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302312300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000054900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002111600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000957400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001843900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004937400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001170300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003048200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004522300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002102700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000862400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003155900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003591900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004540000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002101500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005405100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003499500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001556900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001392900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004071100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001475700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000238800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003767200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001493200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003168200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002004300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001698400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000183600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0102538300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002960800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002840000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000164600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005642200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003876900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004373000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000515700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004292500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0422149500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002149100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001335300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004811600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000988500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019252100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001998300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000459300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000631000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002099600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001314000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002944400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005381700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001354000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002451800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000088100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003842000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001741000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001852200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004506400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001407500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003559500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001312900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001192500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003628500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000402600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002174200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000478700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001658500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000451200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001060100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005821900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000078500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000147400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001500600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003105800000000 ]- atom: 40 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003237000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004723800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0304805500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004014200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001846700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003001700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002126500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000980300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003153500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000941000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000562700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006063800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004822100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000809300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007574300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002208000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006062100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001433400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000455700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005507000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002572500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000111000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002486300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003729400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000211300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003549600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001230100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000054900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000358800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001873000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0098917800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000915500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000804100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001764900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003582400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001843500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002300700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001398600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002252200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0425643400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004057600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000591200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006723800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000929000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014515400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000072500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001600400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001288700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000042800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003215500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004852800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003330000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000710400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004362800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002622500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005768100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000302100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000053300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006427900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003467500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005473800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000745700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003106300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001592800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002455800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000260900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002389800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003586100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001606700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002969500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003757200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001846900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002838400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003424200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001042200000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000299700000000, -0.0000001800000000, -0.0005239400000000 ] - [ 0.0000008700000000, -0.0000004000000000, 0.0002750700000000 ] - [ 0.0000003800000000, -0.0000003900000000, -0.0000126800000000 ] - [ 0.0000007500000000, 0.0000001200000000, 0.0002037700000000 ] - [ -0.0000003300000000, 0.0000001000000000, -0.0000130800000000 ] - [ 0.0000007100000000, -0.0000004300000000, 0.0001024700000000 ] - [ 0.0000004200000000, -0.0000004100000000, 0.0000143500000000 ] - [ 0.0109808900000000, -0.0002043200000000, -0.0005363200000000 ] - [ -0.0000001000000000, 0.0000000800000000, 0.0000992900000000 ] - [ -0.0000006800000000, 0.0000001000000000, -0.0001052000000000 ] - [ 0.0000004400000000, -0.0000003900000000, -0.0002540400000000 ] - [ 0.0000011200000000, -0.0000004200000000, 0.0004085200000000 ] - [ 0.0000004300000000, -0.0000004300000000, 0.0002845000000000 ] - [ 0.0000014400000000, -0.0000003900000000, -0.0001170800000000 ] - [ 0.0000004000000000, 0.0000001200000000, 0.0005581600000000 ] - [ -0.0000002500000000, 0.0000000800000000, 0.0003328900000000 ] - [ -0.0000007500000000, 0.0000001000000000, 0.0004082800000000 ] - [ -0.0000754300000000, -0.0000015400000000, -0.0003388600000000 ] - [ 0.0000003800000000, 0.0000000700000000, -0.0001520200000000 ] - [ 0.0000011000000000, -0.0000004500000000, 0.0003536500000000 ] - [ 0.0000008200000000, -0.0000004200000000, 0.0000590900000000 ] - [ 0.0000010200000000, -0.0000004000000000, -0.0002089000000000 ] - [ -0.0000007200000000, 0.0000000900000000, 0.0000507500000000 ] - [ 0.0000002000000000, 0.0000001100000000, 0.0001745300000000 ] - [ -0.0000008000000000, 0.0000000800000000, -0.0001775400000000 ] - [ -0.0000004900000000, 0.0000002100000000, -0.0002500000000000 ] - [ 0.0000001200000000, 0.0000002200000000, 0.0002219700000000 ] - [ -0.0000001700000000, 0.0000002200000000, 0.0000997200000000 ] - [ -0.0000000200000000, 0.0000000400000000, 0.0000692600000000 ] - [ 0.0000000200000000, 0.0000002100000000, -0.0000823700000000 ] - [ 0.0000000100000000, 0.0000000400000000, 0.0002757900000000 ] - [ -0.0000001500000000, 0.0000000400000000, 0.0001961600000000 ] - [ 0.0000003000000000, 0.0000000400000000, 0.0001845100000000 ] - [ -0.0000012900000000, 0.0000000900000000, -0.0000824300000000 ] - [ 0.0000000700000000, 0.0000002200000000, 0.0004636100000000 ] - [ -0.0000000700000000, 0.0000000300000000, 0.0002884900000000 ] - [ -0.0000006200000000, 0.0000000300000000, 0.0003368900000000 ] - [ 0.0000908700000000, 0.0000004600000000, -0.0000466900000000 ] - [ -0.0000002300000000, 0.0000002200000000, 0.0003294500000000 ] - [ -0.0000003700000000, 0.0000001200000000, -0.0000022300000000 ] - [ -0.0127866400000000, 0.0001448400000000, -0.0000676900000000 ] - [ 0.0000000800000000, 0.0000001200000000, 0.0000347400000000 ] - [ 0.0000003200000000, -0.0000001000000000, -0.0005789200000000 ] - [ -0.0000001400000000, 0.0000001200000000, 0.0000005800000000 ] - [ -0.0000000200000000, 0.0000002200000000, 0.0002139200000000 ] - [ -0.0000005300000000, 0.0000001100000000, 0.0001010600000000 ] - [ -0.0000007300000000, 0.0000002100000000, -0.0000544400000000 ] - [ -0.0000003500000000, -0.0000000800000000, -0.0000351500000000 ] - [ -0.0000001500000000, 0.0000000400000000, 0.0001094800000000 ] - [ -0.0000001200000000, -0.0000000900000000, -0.0002287700000000 ] - [ 0.0000002300000000, -0.0000001000000000, -0.0003920600000000 ] - [ 0.0000001600000000, 0.0000000400000000, 0.0004380800000000 ] - [ -0.0000006800000000, 0.0000000400000000, 0.0000345200000000 ] - [ 0.0000911900000000, -0.0000003500000000, -0.0003420600000000 ] - [ -0.0000005900000000, -0.0000000800000000, -0.0001296800000000 ] - [ 0.0000008900000000, 0.0000001300000000, -0.0004827900000000 ] - [ 0.0000000400000000, 0.0000002200000000, 0.0000741400000000 ] - [ -0.0000008400000000, -0.0000000600000000, 0.0000875400000000 ] - [ 0.0000011700000000, 0.0000001400000000, -0.0005489900000000 ] - [ -0.0000024000000000, 0.0000000300000000, -0.0002416300000000 ] - [ -0.0000006800000000, 0.0000000200000000, -0.0004546900000000 ] - [ 0.0008243000000000, 0.0000521500000000, 0.0000075700000000 ] - [ 0.0000005700000000, 0.0000001300000000, -0.0002173100000000 ] - [ 0.0000006500000000, 0.0000001200000000, 0.0002631100000000 ] - [ 0.0000003700000000, 0.0000000400000000, -0.0001407300000000 ] - [ -0.0000005600000000, -0.0000000700000000, 0.0001194200000000 ] - [ 0.0000000900000000, -0.0000000800000000, -0.0001457700000000 ] - [ 0.0000004900000000, 0.0000001200000000, -0.0002645200000000 ] - [ 0.0009038200000000, 0.0000090000000000, -0.0000423000000000 ] - [ -0.0000002700000000, -0.0000000900000000, -0.0002037900000000 ] - [ 0.0000000400000000, 0.0000002200000000, 0.0004806600000000 ] - [ -0.0000001600000000, 0.0000001200000000, -0.0000906000000000 ] - [ -0.0000001500000000, -0.0000000900000000, -0.0001518200000000 ] - [ 0.0000001900000000, 0.0000001300000000, -0.0002486100000000 ] - [ 0.0000000600000000, 0.0000002200000000, 0.0002097300000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007396900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000769900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002114200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000058300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002124500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000959000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001837400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0299499800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000990400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003036200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004523700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002106300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000858400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003150600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003612100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001341600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002094500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002181800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003503200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001550100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001392200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004071000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001473500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000236600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003759600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001521300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003207400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001982400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001674200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000173800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003740800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002946100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002832100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000174500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005617900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003867800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004343900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000929800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004278000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000977500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0425497100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001365200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004785600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001020500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003122000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002009600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000423000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000646700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002076200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001290900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002921000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005361900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001322000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002018200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000298200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003823900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001729400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001873300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004484700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001439300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003518600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100114000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001162800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003556300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000422000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002194300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000454500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001636700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016629700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001037600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005793900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000100400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000517100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001477600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003082400000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003073500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004729000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001859200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004016600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001862000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003007300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002123400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0307662100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002975500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000932900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000557800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006063300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004829600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000808500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007558000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005317000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006071200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004560200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000461400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005520000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002573400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000108100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002488400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003727300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000207600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003486400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001219900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000001500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000300600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001817100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001759400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000962300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000844400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001808000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003638700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001886000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002376700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001840700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002296600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001006300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0422645500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000652800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006782600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000990400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001142300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000031700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001532300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001332800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000100000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003272400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004909500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003381000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000643600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004805700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002280100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005819300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000256300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000105200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006486300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003399000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005548000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101364800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003168800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001697100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002403500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000210300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002447500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003640900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017261200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003025000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003805500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001896800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002504800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003481200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001101200000000 ]- atom: 42 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000001600000000, 0.0000000700000000, -0.0005238400000000 ] - [ 0.0109687500000000, -0.0002041600000000, 0.0000343300000000 ] - [ 0.0000002100000000, -0.0000003900000000, -0.0000126700000000 ] - [ 0.0000002500000000, 0.0000001200000000, 0.0002037700000000 ] - [ -0.0000011800000000, 0.0000001100000000, -0.0000130700000000 ] - [ 0.0000001200000000, -0.0000004200000000, 0.0001024700000000 ] - [ 0.0000007900000000, -0.0000004100000000, 0.0000143600000000 ] - [ 0.0000006200000000, -0.0000004000000000, -0.0002954400000000 ] - [ -0.0000014000000000, 0.0000000800000000, 0.0000992900000000 ] - [ -0.0000006200000000, 0.0000001100000000, -0.0001051900000000 ] - [ 0.0000004800000000, -0.0000003800000000, -0.0002540200000000 ] - [ 0.0000013600000000, -0.0000004000000000, 0.0004085200000000 ] - [ 0.0000004300000000, -0.0000004200000000, 0.0002844900000000 ] - [ 0.0000007500000000, -0.0000004000000000, -0.0001170800000000 ] - [ -0.0000006600000000, 0.0000001200000000, 0.0005581400000000 ] - [ -0.0000297400000000, -0.0000001600000000, 0.0003327800000000 ] - [ -0.0000751900000000, -0.0000015000000000, 0.0004112000000000 ] - [ -0.0000004900000000, 0.0000000700000000, -0.0003419000000000 ] - [ -0.0000005800000000, 0.0000000700000000, -0.0001520200000000 ] - [ 0.0000009700000000, -0.0000004400000000, 0.0003536500000000 ] - [ 0.0000003200000000, -0.0000004100000000, 0.0000591000000000 ] - [ 0.0000005800000000, -0.0000003900000000, -0.0002089000000000 ] - [ 0.0000003300000000, 0.0000001000000000, 0.0000507700000000 ] - [ -0.0000008900000000, 0.0000001100000000, 0.0001745300000000 ] - [ 0.0000006100000000, 0.0000000800000000, -0.0001775300000000 ] - [ -0.0000005400000000, 0.0000002200000000, -0.0002500000000000 ] - [ -0.0000000900000000, 0.0000002300000000, 0.0002220000000000 ] - [ -0.0000010000000000, 0.0000002100000000, 0.0000997400000000 ] - [ 0.0000002100000000, 0.0000000500000000, 0.0000692800000000 ] - [ -0.0000003700000000, 0.0000002200000000, -0.0000823600000000 ] - [ -0.0000002400000000, 0.0000000400000000, 0.0002758200000000 ] - [ 0.0000003100000000, 0.0000000500000000, 0.0001962000000000 ] - [ -0.0000000800000000, 0.0000000500000000, 0.0001845500000000 ] - [ 0.0000003800000000, 0.0000001000000000, -0.0000824600000000 ] - [ -0.0000000400000000, 0.0000002200000000, 0.0004636500000000 ] - [ 0.0008220400000000, 0.0000521300000000, 0.0002653000000000 ] - [ -0.0000024700000000, 0.0000000300000000, 0.0003368700000000 ] - [ -0.0000003900000000, -0.0000001500000000, -0.0000463900000000 ] - [ 0.0008982000000000, 0.0000089100000000, 0.0003426600000000 ] - [ 0.0000010000000000, 0.0000001200000000, -0.0000022900000000 ] - [ 0.0000001000000000, 0.0000001600000000, -0.0003127800000000 ] - [ -0.0127651000000000, 0.0001444500000000, 0.0002798900000000 ] - [ -0.0000002000000000, -0.0000000900000000, -0.0005789300000000 ] - [ 0.0000010700000000, 0.0000001200000000, 0.0000005400000000 ] - [ -0.0000002400000000, 0.0000001200000000, 0.0002139600000000 ] - [ 0.0000008000000000, 0.0000001100000000, 0.0001010100000000 ] - [ -0.0000000300000000, 0.0000002200000000, -0.0000544100000000 ] - [ 0.0000906400000000, -0.0000003100000000, -0.0000344100000000 ] - [ 0.0000002800000000, 0.0000000500000000, 0.0001095100000000 ] - [ -0.0000002100000000, -0.0000000900000000, -0.0002287900000000 ] - [ -0.0000001500000000, -0.0000000900000000, -0.0003920700000000 ] - [ 0.0000003000000000, 0.0000000500000000, 0.0004381300000000 ] - [ 0.0000000000000000, 0.0000000500000000, 0.0000345300000000 ] - [ -0.0000006000000000, -0.0000001000000000, -0.0003428300000000 ] - [ 0.0000906000000000, 0.0000005400000000, -0.0001300300000000 ] - [ -0.0000000400000000, 0.0000001400000000, -0.0004828000000000 ] - [ -0.0000004600000000, 0.0000002200000000, 0.0000741500000000 ] - [ 0.0000001800000000, -0.0000000600000000, 0.0000875100000000 ] - [ -0.0000006000000000, 0.0000001400000000, -0.0005490000000000 ] - [ 0.0000003000000000, 0.0000000500000000, -0.0002415700000000 ] - [ -0.0000001200000000, 0.0000000200000000, -0.0004547000000000 ] - [ 0.0000000600000000, 0.0000000400000000, 0.0000307900000000 ] - [ 0.0000006800000000, 0.0000001300000000, -0.0002173300000000 ] - [ -0.0000010600000000, 0.0000002200000000, 0.0002631000000000 ] - [ 0.0000003700000000, 0.0000000400000000, -0.0001407300000000 ] - [ 0.0000002700000000, -0.0000000700000000, 0.0001193800000000 ] - [ 0.0000000500000000, -0.0000000800000000, -0.0001458000000000 ] - [ 0.0000005500000000, 0.0000001300000000, -0.0002645400000000 ] - [ -0.0000005300000000, 0.0000002200000000, -0.0000556800000000 ] - [ -0.0000001300000000, -0.0000000900000000, -0.0002038100000000 ] - [ -0.0000005500000000, 0.0000002100000000, 0.0004807100000000 ] - [ 0.0000008600000000, 0.0000001200000000, -0.0000906400000000 ] - [ 0.0000002800000000, -0.0000000900000000, -0.0001518600000000 ] - [ 0.0000003000000000, 0.0000001300000000, -0.0002486300000000 ] - [ -0.0000002200000000, 0.0000002200000000, 0.0002097600000000 ]- atom: 42 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007234500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0305163700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002114300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000047900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002129100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000965800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001842000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004944600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000993200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003046900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004528700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002104600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000859500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003156600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003601900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001168500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005290100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005409400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003510000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001545900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001391900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004074000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001477300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000236700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003758900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001536000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003186300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001952600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001652800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000138300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003714500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002922500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002812600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000201400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005614500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0102610500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004326900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000553100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020331400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001010700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002081200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0421696500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004763600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001031500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003044300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002033900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000415600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001078300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002058800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001263700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002895500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005345400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001306700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002406700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000116700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003796200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001703300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001892000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004463800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001453700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003505300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001264600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001140300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003590000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000442000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002216700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000432400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001611500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000403200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001015400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005767300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000122500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000493000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001451200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003061100000000 ]- atom: 42 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003238900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301929900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001857500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004023100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001866500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003012600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002126100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000970900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002976300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000941100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000554400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006066800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004827100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000811600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007567500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005495000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002959500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001428100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000468300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005518600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002573200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000106500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002490300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003727000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000205300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003496900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001223200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000009000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000302600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001818500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001768300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000965800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000848600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001814800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003639500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0098729500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002384100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001439800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013284100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001017300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004130500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0425825200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006776200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000988400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001203700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000022700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001541600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001723200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000095600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003273100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004908300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003365400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000651100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004413100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002672500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005819200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000253900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000109600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006475900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003413100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005539300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000688800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003167000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001636800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002407200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000204200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002445800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003639600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001550600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003021000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003818400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001895100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002507700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003481600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001101800000000 ]- atom: 43 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000004200000000, 0.0000000800000000, -0.0005238700000000 ] - [ 0.0000007800000000, -0.0000003700000000, 0.0002750300000000 ] - [ 0.0000001900000000, -0.0000003700000000, -0.0000127100000000 ] - [ 0.0000001300000000, 0.0000001400000000, 0.0002037400000000 ] - [ 0.0000002700000000, 0.0000001300000000, -0.0000131100000000 ] - [ 0.0000003300000000, -0.0000004100000000, 0.0001024300000000 ] - [ 0.0000001400000000, -0.0000004000000000, 0.0000143300000000 ] - [ -0.0000003600000000, -0.0000003900000000, -0.0002954700000000 ] - [ -0.0000000300000000, 0.0000001000000000, 0.0000992600000000 ] - [ -0.0000002900000000, 0.0000001200000000, -0.0001052200000000 ] - [ -0.0000744000000000, 0.0000012200000000, -0.0002510700000000 ] - [ 0.0000006600000000, -0.0000003900000000, 0.0004084800000000 ] - [ 0.0000002300000000, -0.0000004100000000, 0.0002844600000000 ] - [ -0.0000288500000000, -0.0000001300000000, -0.0001172200000000 ] - [ -0.0000002800000000, 0.0000001400000000, 0.0005581200000000 ] - [ 0.0000000900000000, 0.0000001000000000, 0.0003328700000000 ] - [ -0.0000003300000000, 0.0000001200000000, 0.0004082500000000 ] - [ 0.0000001100000000, -0.0000001200000000, -0.0003422500000000 ] - [ 0.0109718800000000, 0.0002038900000000, -0.0003928500000000 ] - [ 0.0000017300000000, -0.0000004200000000, 0.0003536200000000 ] - [ 0.0000006500000000, -0.0000003900000000, 0.0000590600000000 ] - [ 0.0000012800000000, -0.0000003700000000, -0.0002089300000000 ] - [ -0.0000003300000000, 0.0000001100000000, 0.0000507300000000 ] - [ 0.0000003900000000, 0.0000001300000000, 0.0001745000000000 ] - [ 0.0000007000000000, 0.0000000900000000, -0.0001775500000000 ] - [ 0.0008227600000000, -0.0000518600000000, -0.0002733100000000 ] - [ -0.0000003600000000, 0.0000002400000000, 0.0002219100000000 ] - [ -0.0000002200000000, 0.0000002300000000, 0.0000996500000000 ] - [ -0.0000000700000000, 0.0000000600000000, 0.0000691900000000 ] - [ -0.0000026000000000, 0.0000002500000000, -0.0000825300000000 ] - [ 0.0000004700000000, 0.0000000600000000, 0.0002757300000000 ] - [ 0.0000002400000000, 0.0000000500000000, 0.0001961000000000 ] - [ 0.0000004500000000, 0.0000000500000000, 0.0001844600000000 ] - [ -0.0000008700000000, 0.0000001100000000, -0.0000824200000000 ] - [ -0.0000008200000000, 0.0000002400000000, 0.0004635500000000 ] - [ 0.0000005400000000, 0.0000000500000000, 0.0002884400000000 ] - [ 0.0000003900000000, 0.0000000500000000, 0.0003368500000000 ] - [ 0.0000013700000000, -0.0000001400000000, -0.0000463700000000 ] - [ -0.0000001900000000, 0.0000002400000000, 0.0003294100000000 ] - [ -0.0000001800000000, 0.0000001400000000, -0.0000022300000000 ] - [ 0.0000000900000000, 0.0000001800000000, -0.0003127400000000 ] - [ -0.0000004200000000, 0.0000001400000000, 0.0000347400000000 ] - [ -0.0127831400000000, -0.0001457200000000, -0.0003313300000000 ] - [ -0.0000008700000000, 0.0000001400000000, 0.0000005800000000 ] - [ -0.0000003500000000, 0.0000002300000000, 0.0002138500000000 ] - [ -0.0000006300000000, 0.0000001300000000, 0.0001010500000000 ] - [ -0.0000000500000000, 0.0000002300000000, -0.0000545100000000 ] - [ 0.0000000900000000, -0.0000000600000000, -0.0000351500000000 ] - [ 0.0000004500000000, 0.0000000600000000, 0.0001094200000000 ] - [ 0.0000013500000000, -0.0000000800000000, -0.0002287600000000 ] - [ 0.0000016200000000, -0.0000000700000000, -0.0003920300000000 ] - [ 0.0000001800000000, 0.0000000600000000, 0.0004380400000000 ] - [ 0.0000004300000000, 0.0000000600000000, 0.0000344400000000 ] - [ 0.0000015400000000, -0.0000000900000000, -0.0003428100000000 ] - [ 0.0000003300000000, -0.0000000700000000, -0.0001296800000000 ] - [ 0.0000906500000000, 0.0000003900000000, -0.0004819700000000 ] - [ 0.0000001600000000, 0.0000002300000000, 0.0000740600000000 ] - [ 0.0000003600000000, -0.0000000500000000, 0.0000875400000000 ] - [ 0.0000905300000000, -0.0000004700000000, -0.0005492600000000 ] - [ 0.0000002400000000, 0.0000001600000000, -0.0002416400000000 ] - [ 0.0000000300000000, 0.0000000300000000, -0.0004546500000000 ] - [ 0.0000003900000000, 0.0000000500000000, 0.0000307000000000 ] - [ -0.0000004000000000, 0.0000001400000000, -0.0002172900000000 ] - [ 0.0000001700000000, 0.0000002300000000, 0.0002630300000000 ] - [ 0.0009009200000000, -0.0000086600000000, -0.0001276000000000 ] - [ 0.0000005700000000, -0.0000000600000000, 0.0001194100000000 ] - [ 0.0000006700000000, -0.0000000600000000, -0.0001457600000000 ] - [ 0.0000000600000000, 0.0000001400000000, -0.0002645000000000 ] - [ -0.0000003800000000, 0.0000002300000000, -0.0000557700000000 ] - [ 0.0000009500000000, -0.0000000700000000, -0.0002037700000000 ] - [ -0.0000002800000000, 0.0000002300000000, 0.0004806100000000 ] - [ -0.0000005400000000, 0.0000001400000000, -0.0000905900000000 ] - [ 0.0000010500000000, -0.0000000700000000, -0.0001518200000000 ] - [ -0.0000000400000000, 0.0000001500000000, -0.0002485900000000 ] - [ -0.0000008900000000, 0.0000002400000000, 0.0002096700000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007228300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000765700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002109400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000057000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002113600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000961900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001839700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004942300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000991400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003035400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001310900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002096200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000855500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003323300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003601200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001345700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002095300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005401500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0300907100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001554400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001403100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004076100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001474000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000232800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003757400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0097291300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003203800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001981900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001672500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000156600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003742900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002946600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002834400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000171500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005613500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003872600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004352700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000531300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004279900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000977400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002128900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001345700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0427956600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001001400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003125700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002005600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000432000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000644800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002082900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001289300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002920900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005363700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001343000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002426200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000295100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003422700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001729700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001884800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004103800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001485100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003533300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001294000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001179400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003620900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015704600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002206100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000453300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001645900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000425400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001033900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005792900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000090800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000512400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001489900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003076300000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003250000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004733400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001853600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004016700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001851000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003009900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002125100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000970400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002975900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000930800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003680100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006072200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004832400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000985800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007566200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005313000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006070200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001435900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0306200100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005515100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002583700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000104500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002488200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003724600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000205900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0104147100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001225200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000003400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000295800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001805700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001759800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000963600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000842500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001805600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003644800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001882900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002370600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001446700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002296400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001009600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004116100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000636400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0419845300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000975200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001140500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000031500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001538700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001334100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000095000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003277500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004915800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003381600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000651200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004424300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002286500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006200400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000272100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000119700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006866200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003351700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005538100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000689700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003155200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001630300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018038800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000194800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002451800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003635800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001545400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003031700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003808700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001890500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002512800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003472400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001108800000000 ]- atom: 44 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000012500000000, 0.0000000600000000, -0.0005239100000000 ] - [ 0.0000002300000000, -0.0000003900000000, 0.0002750100000000 ] - [ 0.0000003000000000, -0.0000003900000000, -0.0000127300000000 ] - [ -0.0000753900000000, -0.0000014900000000, 0.0002066800000000 ] - [ -0.0000006000000000, 0.0000001000000000, -0.0000131400000000 ] - [ 0.0000008400000000, -0.0000004300000000, 0.0001024100000000 ] - [ 0.0000006300000000, -0.0000004100000000, 0.0000143000000000 ] - [ 0.0000011000000000, -0.0000004100000000, -0.0002955100000000 ] - [ 0.0000003900000000, 0.0000000800000000, 0.0000992300000000 ] - [ 0.0000006000000000, 0.0000001100000000, -0.0001052500000000 ] - [ 0.0000007400000000, -0.0000003900000000, -0.0002540900000000 ] - [ 0.0109702400000000, -0.0002041800000000, 0.0001676900000000 ] - [ 0.0000014100000000, -0.0000004300000000, 0.0002844400000000 ] - [ 0.0000006000000000, -0.0000004000000000, -0.0001171500000000 ] - [ -0.0000008200000000, 0.0000001200000000, 0.0005580900000000 ] - [ -0.0000013800000000, 0.0000000700000000, 0.0003328400000000 ] - [ -0.0000298000000000, -0.0000001400000000, 0.0004081000000000 ] - [ -0.0000000700000000, 0.0000000700000000, -0.0003419500000000 ] - [ -0.0000004400000000, 0.0000000600000000, -0.0001520800000000 ] - [ 0.0000004400000000, -0.0000004400000000, 0.0003535900000000 ] - [ 0.0000001200000000, -0.0000004100000000, 0.0000590400000000 ] - [ 0.0000005100000000, -0.0000003900000000, -0.0002089600000000 ] - [ -0.0000011200000000, 0.0000000900000000, 0.0000507000000000 ] - [ 0.0000003100000000, 0.0000001200000000, 0.0001744700000000 ] - [ -0.0000005800000000, 0.0000000800000000, -0.0001775900000000 ] - [ -0.0000005200000000, 0.0000002100000000, -0.0002501100000000 ] - [ -0.0000002000000000, 0.0000002200000000, 0.0002219000000000 ] - [ -0.0000004300000000, 0.0000002200000000, 0.0000996400000000 ] - [ 0.0000003800000000, 0.0000000400000000, 0.0000691700000000 ] - [ -0.0000005100000000, 0.0000002100000000, -0.0000824800000000 ] - [ 0.0000003300000000, 0.0000000400000000, 0.0002757200000000 ] - [ 0.0000003000000000, 0.0000000400000000, 0.0001960900000000 ] - [ 0.0000003200000000, 0.0000000500000000, 0.0001844500000000 ] - [ 0.0000008000000000, 0.0000000900000000, -0.0000824700000000 ] - [ -0.0000005300000000, 0.0000002100000000, 0.0004635500000000 ] - [ -0.0000002200000000, 0.0000000300000000, 0.0002884200000000 ] - [ 0.0008222000000000, 0.0000521300000000, 0.0003136100000000 ] - [ -0.0000004800000000, -0.0000001500000000, -0.0000464000000000 ] - [ -0.0000002100000000, 0.0000001200000000, 0.0003293900000000 ] - [ 0.0000008900000000, 0.0000001200000000, -0.0000022900000000 ] - [ 0.0000000300000000, 0.0000001600000000, -0.0003127800000000 ] - [ 0.0000010200000000, 0.0000001200000000, 0.0000346800000000 ] - [ -0.0000005700000000, -0.0000001000000000, -0.0005789400000000 ] - [ -0.0127699500000000, 0.0001446800000000, 0.0002504500000000 ] - [ -0.0000000700000000, 0.0000002200000000, 0.0002138400000000 ] - [ 0.0000010900000000, 0.0000001100000000, 0.0001010000000000 ] - [ 0.0000000200000000, 0.0000002500000000, -0.0000549000000000 ] - [ 0.0000906400000000, 0.0000005400000000, -0.0000355200000000 ] - [ 0.0000000200000000, 0.0000000400000000, 0.0001094000000000 ] - [ -0.0000001200000000, -0.0000000900000000, -0.0002288000000000 ] - [ -0.0000001800000000, -0.0000000900000000, -0.0003920700000000 ] - [ -0.0000024500000000, 0.0000000300000000, 0.0004379600000000 ] - [ 0.0000002400000000, 0.0000000400000000, 0.0000344200000000 ] - [ -0.0000003300000000, -0.0000001100000000, -0.0003428400000000 ] - [ 0.0000003100000000, -0.0000000900000000, -0.0001297300000000 ] - [ -0.0000005800000000, 0.0000001300000000, -0.0004828100000000 ] - [ -0.0000003500000000, 0.0000002200000000, 0.0000740400000000 ] - [ 0.0000002900000000, -0.0000000700000000, 0.0000874900000000 ] - [ 0.0000001200000000, 0.0000001300000000, -0.0005490000000000 ] - [ 0.0000000900000000, 0.0000000500000000, -0.0002416700000000 ] - [ 0.0000002500000000, 0.0000000100000000, -0.0004547100000000 ] - [ 0.0000002900000000, 0.0000000400000000, 0.0000306800000000 ] - [ 0.0000003200000000, 0.0000001300000000, -0.0002173400000000 ] - [ -0.0000003800000000, 0.0000002200000000, 0.0002629900000000 ] - [ 0.0000003200000000, 0.0000000400000000, -0.0001408400000000 ] - [ 0.0000909000000000, -0.0000003100000000, 0.0001201500000000 ] - [ -0.0000001000000000, -0.0000000800000000, -0.0001458100000000 ] - [ -0.0000000200000000, 0.0000001200000000, -0.0002645400000000 ] - [ -0.0000010300000000, 0.0000002100000000, -0.0000557800000000 ] - [ -0.0000001900000000, -0.0000000900000000, -0.0002038100000000 ] - [ 0.0009008700000000, 0.0000089400000000, 0.0004938400000000 ] - [ 0.0000007000000000, 0.0000001200000000, -0.0000906400000000 ] - [ 0.0000000700000000, -0.0000000900000000, -0.0001518700000000 ] - [ 0.0000005600000000, 0.0000001300000000, -0.0002486300000000 ] - [ -0.0000009800000000, 0.0000002100000000, 0.0002096400000000 ]- atom: 44 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007232800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000762100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002112200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003263000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002127000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000960800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001843100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004945000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000993200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003035100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004526100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0306487800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000860600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003159800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003604600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001341500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001926600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005411100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003514300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001545600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001399600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004078400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001491500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000242600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003767400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001538000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003184500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001961700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001659300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000142500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003719900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002927600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002812300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000196900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005592900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003843600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0103094800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000555800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004200000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001000500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002091000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001377200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004771000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0422021100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003106300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002037100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000411800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001059900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002057100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001266000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002900900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005333600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001307900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002413400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000276100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003806200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001705500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001897400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004450800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001451700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003504700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001269200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001142800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003595200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000443400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002623300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000440800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001618900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000400000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001017800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021903700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000124300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000496200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001456900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003054200000000 ]- atom: 44 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003237600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004729900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001849800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000893400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001857700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003002100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002121300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000978600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002970100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000924600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000562600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0300572000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004820500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000809200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007564700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005310900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006234300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001428600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000466500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005509700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002576100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000107500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002500300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003730600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000207100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003548100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001168400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000053300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000362800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001875500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001707500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000906200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000798600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001761100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003594200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001842500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0098292400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001399600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002308200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000956200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004067100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000596600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006718200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0425659200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001085600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000073900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001610300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001673500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000042400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003219700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004852300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003338600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000705300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004356300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002230900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005758100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000309900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000062400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006438500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003465000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005474400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000749400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003112100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001591700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002457700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000132100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002384800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003580700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001598700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002966700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011876000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001842600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002449600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003424600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001053700000000 ]- atom: 45 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000002400000000, 0.0000000000000000, -0.0005237600000000 ] - [ 0.0000231100000000, -0.0000005500000000, 0.0002752300000000 ] - [ -0.0001887100000000, 0.0000016100000000, -0.0000135400000000 ] - [ -0.0000002600000000, 0.0000000600000000, 0.0002038300000000 ] - [ 0.0000003200000000, 0.0000000400000000, -0.0000130100000000 ] - [ 0.0000013500000000, -0.0000004800000000, 0.0001025300000000 ] - [ 0.0000012700000000, -0.0000004700000000, 0.0000144300000000 ] - [ 0.0000008900000000, -0.0000004600000000, -0.0002953700000000 ] - [ 0.0000007100000000, 0.0000000300000000, 0.0000993600000000 ] - [ -0.0000001700000000, 0.0000000500000000, -0.0001051200000000 ] - [ 0.0000010800000000, -0.0000004400000000, -0.0002539500000000 ] - [ 0.0000013200000000, -0.0000004700000000, 0.0004085900000000 ] - [ 0.0000004500000000, -0.0000004900000000, 0.0002845700000000 ] - [ 0.0000007700000000, -0.0000004600000000, -0.0001170100000000 ] - [ 0.0000002300000000, 0.0000000600000000, 0.0005582300000000 ] - [ 0.0107318700000000, -0.0002056200000000, 0.0005732800000000 ] - [ -0.0000002800000000, 0.0000000400000000, 0.0004083500000000 ] - [ -0.0000002800000000, 0.0000000100000000, -0.0003418200000000 ] - [ 0.0000001400000000, 0.0000000000000000, -0.0001519400000000 ] - [ 0.0000014100000000, -0.0000005000000000, 0.0003537300000000 ] - [ 0.0000005900000000, -0.0000004700000000, 0.0000591600000000 ] - [ 0.0000008100000000, -0.0000004500000000, -0.0002088300000000 ] - [ -0.0000002500000000, 0.0000000400000000, 0.0000508300000000 ] - [ -0.0000004600000000, 0.0000000500000000, 0.0001746000000000 ] - [ 0.0000000600000000, 0.0000000200000000, -0.0001774600000000 ] - [ 0.0000000600000000, 0.0000001600000000, -0.0002501900000000 ] - [ 0.0000006600000000, 0.0000001600000000, 0.0002218300000000 ] - [ 0.0000006800000000, 0.0000001600000000, 0.0000995700000000 ] - [ 0.0000006700000000, -0.0000000200000000, 0.0000690900000000 ] - [ 0.0000008000000000, 0.0000001500000000, -0.0000825500000000 ] - [ -0.0000715800000000, 0.0000000000000000, 0.0002753700000000 ] - [ -0.0000007300000000, -0.0000000200000000, 0.0001960100000000 ] - [ 0.0000003800000000, -0.0000000200000000, 0.0001843800000000 ] - [ -0.0000007400000000, 0.0000000400000000, -0.0000825600000000 ] - [ 0.0000009900000000, 0.0000001600000000, 0.0004634700000000 ] - [ -0.0000714400000000, 0.0000007700000000, 0.0002888100000000 ] - [ -0.0000007400000000, -0.0000000200000000, 0.0003367700000000 ] - [ 0.0000001100000000, -0.0000002100000000, -0.0000465000000000 ] - [ 0.0000006000000000, 0.0000001600000000, 0.0003293200000000 ] - [ 0.0008996000000000, -0.0000111100000000, -0.0000103100000000 ] - [ 0.0000001200000000, 0.0000001000000000, -0.0003128700000000 ] - [ -0.0000000100000000, 0.0000002100000000, 0.0000345900000000 ] - [ 0.0000000800000000, -0.0000001600000000, -0.0005790200000000 ] - [ 0.0000000600000000, 0.0000000600000000, 0.0000004300000000 ] - [ -0.0121642700000000, 0.0001662200000000, -0.0000383200000000 ] - [ -0.0000000400000000, 0.0000000500000000, 0.0001009000000000 ] - [ 0.0000005900000000, 0.0000001600000000, -0.0000545900000000 ] - [ 0.0000000400000000, -0.0000001400000000, -0.0000353000000000 ] - [ -0.0000000300000000, -0.0000000200000000, 0.0001093300000000 ] - [ -0.0000004400000000, -0.0000001600000000, -0.0002288900000000 ] - [ 0.0000001100000000, -0.0000001500000000, -0.0003921600000000 ] - [ 0.0000000300000000, -0.0000000200000000, 0.0004379500000000 ] - [ 0.0000005800000000, -0.0000000200000000, 0.0000343500000000 ] - [ 0.0000001500000000, -0.0000001700000000, -0.0003429300000000 ] - [ 0.0008225100000000, 0.0000521700000000, -0.0001065900000000 ] - [ 0.0000001600000000, 0.0000000700000000, -0.0004828900000000 ] - [ 0.0000004000000000, 0.0000001600000000, 0.0000739700000000 ] - [ 0.0000005900000000, -0.0000001200000000, 0.0000874000000000 ] - [ 0.0000002100000000, 0.0000000700000000, -0.0005490800000000 ] - [ 0.0000005400000000, -0.0000000200000000, -0.0002417500000000 ] - [ 0.0000002600000000, -0.0000000400000000, -0.0004547900000000 ] - [ 0.0000011400000000, -0.0000000200000000, 0.0000306100000000 ] - [ 0.0000001600000000, 0.0000000700000000, -0.0002174200000000 ] - [ 0.0000003000000000, 0.0000001600000000, 0.0002629200000000 ] - [ -0.0000000100000000, -0.0000000200000000, -0.0001409100000000 ] - [ 0.0000006700000000, -0.0000001300000000, 0.0001192700000000 ] - [ 0.0000006400000000, -0.0000001400000000, -0.0001459000000000 ] - [ -0.0000000200000000, 0.0000000600000000, -0.0002646300000000 ] - [ -0.0000001500000000, 0.0000001500000000, -0.0000558700000000 ] - [ 0.0000002900000000, -0.0000001500000000, -0.0002039000000000 ] - [ 0.0000011600000000, 0.0000001500000000, 0.0004805300000000 ] - [ -0.0000003600000000, 0.0000000600000000, -0.0000907300000000 ] - [ -0.0000021900000000, -0.0000001800000000, -0.0001519500000000 ] - [ 0.0000000700000000, 0.0000000700000000, -0.0002487200000000 ] - [ 0.0000011100000000, 0.0000001600000000, 0.0002095800000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007255700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000632000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000231000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000018500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002146800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000992900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001876500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004975500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001010400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003068900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004558700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002064900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000822200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003191700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003574300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0307433300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002063900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005438200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003537900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001516600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001428200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004109400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001510800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000274400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003793300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001515200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003209500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001985500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001688900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000165400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004254000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002943100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002842100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000203200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005624700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004381700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004347800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000572200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004288800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016636900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002083900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001323200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004747400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001047000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0422674600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002050100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000437800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000680200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002067600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001255400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002882800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005354600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001337300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002389500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100354500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003787100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001728700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001912500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004445900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001431100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003485200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001289600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001132600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003629300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000427100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002229200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000400500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001605700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000420900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000997700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005791200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000126900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000487800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001443300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003080900000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003206900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004870800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000528900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004055700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001886300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003042900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002163400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000939400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002996400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000966900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000521300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006108100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004866500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000849500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007604100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0298504400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006102200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001393800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000498900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005546800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002613400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000067800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002527600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003770600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000241100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003575300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001139200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000082700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000397400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001903100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001151300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000884900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000763800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001773700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003557000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001300700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002300600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001424600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002213300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017067000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004081100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000551000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006748900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000954900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0423393000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000054600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001630300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001304300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000026200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003236400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004877400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003311700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000740400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004387300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101023300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005784300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000338100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000083700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006450500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003490400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005499500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000774700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003139700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001554100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002478500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000237200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002414200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003600800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001624500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002992500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003734400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001852400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002465500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003443900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001021700000000 ]- atom: 46 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000001200000000, 0.0000000600000000, -0.0005239000000000 ] - [ 0.0000003300000000, -0.0000004000000000, 0.0002750200000000 ] - [ 0.0000001000000000, -0.0000003900000000, -0.0000127200000000 ] - [ -0.0000298800000000, -0.0000001300000000, 0.0002036200000000 ] - [ 0.0000006300000000, 0.0000001000000000, -0.0000131300000000 ] - [ 0.0000006900000000, -0.0000004300000000, 0.0001024200000000 ] - [ 0.0000005700000000, -0.0000004200000000, 0.0000143100000000 ] - [ 0.0000010700000000, -0.0000004100000000, -0.0002954900000000 ] - [ -0.0000010600000000, 0.0000000700000000, 0.0000992500000000 ] - [ -0.0000005800000000, 0.0000001000000000, -0.0001052400000000 ] - [ 0.0000006000000000, -0.0000003900000000, -0.0002540800000000 ] - [ 0.0000008200000000, -0.0000002100000000, 0.0004081500000000 ] - [ 0.0109751600000000, -0.0002042700000000, 0.0000436200000000 ] - [ 0.0000010800000000, -0.0000004000000000, -0.0001171400000000 ] - [ 0.0000004000000000, 0.0000001200000000, 0.0005581000000000 ] - [ 0.0000004100000000, 0.0000000800000000, 0.0003328500000000 ] - [ -0.0000013600000000, 0.0000000900000000, 0.0004082300000000 ] - [ -0.0000011600000000, 0.0000000600000000, -0.0003419500000000 ] - [ -0.0000000100000000, 0.0000000600000000, -0.0001520700000000 ] - [ 0.0000014300000000, -0.0000004400000000, 0.0003536100000000 ] - [ 0.0000008500000000, -0.0000004200000000, 0.0000590400000000 ] - [ 0.0000007800000000, -0.0000004000000000, -0.0002089500000000 ] - [ -0.0000005400000000, 0.0000000900000000, 0.0000507100000000 ] - [ -0.0000754800000000, -0.0000015000000000, 0.0001775100000000 ] - [ -0.0000004300000000, 0.0000000800000000, -0.0001775800000000 ] - [ -0.0000010100000000, 0.0000002100000000, -0.0002500300000000 ] - [ -0.0000009500000000, 0.0000002100000000, 0.0002219500000000 ] - [ -0.0000003200000000, 0.0000002100000000, 0.0000997100000000 ] - [ 0.0000003500000000, 0.0000000400000000, 0.0000692400000000 ] - [ -0.0000004800000000, 0.0000002100000000, -0.0000824000000000 ] - [ 0.0000003300000000, 0.0000000400000000, 0.0002757700000000 ] - [ 0.0000000600000000, 0.0000000400000000, 0.0001961500000000 ] - [ -0.0000024300000000, 0.0000000200000000, 0.0001844300000000 ] - [ 0.0000011100000000, 0.0000000900000000, -0.0000825000000000 ] - [ 0.0009034700000000, 0.0000089900000000, 0.0004769600000000 ] - [ 0.0000003600000000, 0.0000000400000000, 0.0002884800000000 ] - [ -0.0000001900000000, 0.0000000300000000, 0.0003368900000000 ] - [ -0.0000009700000000, -0.0000001500000000, -0.0000464500000000 ] - [ -0.0000000300000000, 0.0000002200000000, 0.0003294400000000 ] - [ 0.0000007400000000, 0.0000001200000000, -0.0000023200000000 ] - [ -0.0000005700000000, 0.0000001600000000, -0.0003128400000000 ] - [ 0.0000009100000000, 0.0000001200000000, 0.0000346500000000 ] - [ -0.0000003000000000, -0.0000001000000000, -0.0005789900000000 ] - [ 0.0000010500000000, 0.0000001200000000, 0.0000004800000000 ] - [ -0.0000001600000000, 0.0000002200000000, 0.0002139000000000 ] - [ -0.0127797400000000, 0.0001446100000000, 0.0003500000000000 ] - [ -0.0000005000000000, 0.0000002100000000, -0.0000544500000000 ] - [ 0.0000003300000000, -0.0000000800000000, -0.0000352400000000 ] - [ 0.0000002700000000, 0.0000000400000000, 0.0001094600000000 ] - [ -0.0000001500000000, -0.0000000900000000, -0.0002288500000000 ] - [ -0.0000005400000000, -0.0000000900000000, -0.0003921200000000 ] - [ 0.0008225500000000, 0.0000521300000000, 0.0004148500000000 ] - [ 0.0000004200000000, 0.0000000400000000, 0.0000344900000000 ] - [ -0.0000004100000000, -0.0000001100000000, -0.0003429000000000 ] - [ 0.0000001100000000, -0.0000000900000000, -0.0001297700000000 ] - [ 0.0000001500000000, 0.0000001300000000, -0.0004828600000000 ] - [ -0.0000004800000000, 0.0000002100000000, 0.0000741100000000 ] - [ 0.0000911600000000, -0.0000003100000000, 0.0000882400000000 ] - [ 0.0000000600000000, 0.0000001300000000, -0.0005490500000000 ] - [ 0.0000003300000000, 0.0000000400000000, -0.0002416000000000 ] - [ 0.0000003700000000, 0.0000000100000000, -0.0004547500000000 ] - [ 0.0000003100000000, 0.0000000400000000, 0.0000307500000000 ] - [ 0.0000006000000000, 0.0000001300000000, -0.0002173900000000 ] - [ 0.0000000400000000, 0.0000002200000000, 0.0002630600000000 ] - [ 0.0000001200000000, 0.0000000300000000, -0.0001407700000000 ] - [ 0.0000909300000000, 0.0000005500000000, 0.0001190200000000 ] - [ -0.0000001500000000, -0.0000000800000000, -0.0001458500000000 ] - [ -0.0000005500000000, 0.0000001200000000, -0.0002646000000000 ] - [ -0.0000003400000000, 0.0000002100000000, -0.0000557200000000 ] - [ -0.0000000900000000, -0.0000000900000000, -0.0002038700000000 ] - [ -0.0000001900000000, 0.0000001200000000, 0.0004806600000000 ] - [ 0.0000003600000000, 0.0000001200000000, -0.0000906900000000 ] - [ -0.0000000800000000, -0.0000000900000000, -0.0001519100000000 ] - [ 0.0000000000000000, 0.0000001300000000, -0.0002486800000000 ] - [ -0.0000004000000000, 0.0000002100000000, 0.0002097100000000 ]- atom: 46 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007229800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000764200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002118700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000115900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002114300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000961800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001846200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004942800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001007400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003042300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004529000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002098900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0305255600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003157900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003601400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001345300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002092700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005409500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003514600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001549300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001393400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004075000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001488400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002984000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003771400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001549400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003170200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001955600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001649700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000132400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003717900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002918400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002798000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000204200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021786700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003841800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004322500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000555600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004256400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001011800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002103900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001376600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004766600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001039200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003097600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0421089600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000397500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000674700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002050400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001261000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002897400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0104114400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001306000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002402100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000270200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003783100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001701000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002310200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004450200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001455500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003492600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001260300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001138200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003593100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000449400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002609800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000433100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001617800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000398800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001010000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005708800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000130800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000495200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001453900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003055900000000 ]- atom: 46 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003248200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004733600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001861300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004197800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001850300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003007000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002129600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000972500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002990700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000936000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000555400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006067700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301833900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000812800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007561200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005310200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006069600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001429000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000471600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005519500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002572900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000106700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002500400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000597300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000216200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003483300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001233500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000004300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000300000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001812600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001759900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000967000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000859700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001820800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012061200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001890600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002380500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001451500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002298700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001020500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004115500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000645100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006779100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000992000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001145000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0426699400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001528200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001344000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000102000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003279800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004911300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0097245500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000651700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004423900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002288200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005837900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000252300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000501400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006496000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003410700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005550900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000695100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003172100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001637600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002399900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000187000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002448300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003638100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001545000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003030900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003871700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001905600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002505700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003482900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001104200000000 ]- atom: 47 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000080700000000, -0.0000004000000000, -0.0005236100000000 ] - [ 0.0000011900000000, -0.0000004200000000, 0.0002751800000000 ] - [ 0.0000007600000000, -0.0000004200000000, -0.0000125600000000 ] - [ -0.0000003100000000, 0.0000000900000000, 0.0002038800000000 ] - [ -0.0000003500000000, 0.0000000800000000, -0.0000129600000000 ] - [ 0.0000007700000000, -0.0000004500000000, 0.0001025800000000 ] - [ 0.0000008100000000, -0.0000004400000000, 0.0000144700000000 ] - [ 0.0000013500000000, -0.0000009900000000, -0.0002946800000000 ] - [ 0.0000000500000000, 0.0000000500000000, 0.0000994100000000 ] - [ 0.0000002300000000, 0.0000000800000000, -0.0001050700000000 ] - [ 0.0000001400000000, -0.0000004100000000, -0.0002539100000000 ] - [ 0.0000012600000000, -0.0000004400000000, 0.0004086300000000 ] - [ 0.0000005600000000, -0.0000004500000000, 0.0002846100000000 ] - [ 0.0000005000000000, -0.0000004200000000, -0.0001169700000000 ] - [ 0.0107405000000000, -0.0002057500000000, 0.0007987000000000 ] - [ -0.0000001600000000, 0.0000000500000000, 0.0003330200000000 ] - [ 0.0000003000000000, 0.0000000700000000, 0.0004083900000000 ] - [ 0.0000003900000000, 0.0000000400000000, -0.0003417700000000 ] - [ -0.0000002400000000, 0.0000000400000000, -0.0001519000000000 ] - [ -0.0001909500000000, 0.0000016100000000, 0.0003528600000000 ] - [ 0.0000010900000000, -0.0000004400000000, 0.0000592100000000 ] - [ 0.0000009800000000, -0.0000004200000000, -0.0002087800000000 ] - [ 0.0000000700000000, 0.0000000600000000, 0.0000508800000000 ] - [ 0.0000006400000000, 0.0000001000000000, 0.0001746500000000 ] - [ 0.0000004600000000, 0.0000000500000000, -0.0001774100000000 ] - [ -0.0000003300000000, 0.0000001900000000, -0.0002501000000000 ] - [ 0.0000007600000000, 0.0000001900000000, 0.0002218900000000 ] - [ -0.0000001900000000, 0.0000001900000000, 0.0000996300000000 ] - [ 0.0000008600000000, 0.0000000200000000, 0.0000691800000000 ] - [ 0.0000000300000000, 0.0000001900000000, -0.0000824700000000 ] - [ 0.0000006300000000, 0.0000000200000000, 0.0002757000000000 ] - [ -0.0000000500000000, 0.0000000100000000, 0.0001960800000000 ] - [ -0.0000723100000000, 0.0000000300000000, 0.0001841300000000 ] - [ 0.0009102200000000, -0.0000112900000000, -0.0000907800000000 ] - [ 0.0000006400000000, 0.0000001900000000, 0.0004635300000000 ] - [ 0.0000005500000000, 0.0000000100000000, 0.0002884100000000 ] - [ -0.0000000700000000, 0.0000000100000000, 0.0003368200000000 ] - [ -0.0000078800000000, -0.0000002300000000, -0.0000464900000000 ] - [ 0.0000006500000000, 0.0000001900000000, 0.0003293800000000 ] - [ -0.0000000600000000, 0.0000000900000000, -0.0000023500000000 ] - [ -0.0000006100000000, 0.0000001400000000, -0.0003128700000000 ] - [ 0.0000000300000000, 0.0000000900000000, 0.0000346300000000 ] - [ 0.0000003200000000, -0.0000001200000000, -0.0005790300000000 ] - [ 0.0000001700000000, 0.0000000700000000, 0.0000008500000000 ] - [ 0.0000003700000000, 0.0000001900000000, 0.0002138300000000 ] - [ -0.0000004100000000, 0.0000000800000000, 0.0001009300000000 ] - [ -0.0121775500000000, 0.0001645900000000, -0.0003108200000000 ] - [ 0.0000002400000000, -0.0000001000000000, -0.0000352600000000 ] - [ 0.0000005000000000, 0.0000000200000000, 0.0001093900000000 ] - [ 0.0000001000000000, -0.0000001200000000, -0.0002288800000000 ] - [ -0.0000004900000000, -0.0000001200000000, -0.0003921500000000 ] - [ -0.0000007700000000, 0.0000000200000000, 0.0004380000000000 ] - [ 0.0000011100000000, 0.0000000200000000, 0.0000344200000000 ] - [ 0.0000004800000000, -0.0000001300000000, -0.0003429300000000 ] - [ -0.0000004700000000, -0.0000001200000000, -0.0001298000000000 ] - [ 0.0000001300000000, 0.0000001000000000, -0.0004828900000000 ] - [ 0.0000002500000000, 0.0000001900000000, 0.0000740500000000 ] - [ -0.0000022100000000, -0.0000001200000000, 0.0000874400000000 ] - [ 0.0000001300000000, 0.0000001100000000, -0.0005490900000000 ] - [ 0.0000014200000000, 0.0000000100000000, -0.0002416700000000 ] - [ 0.0008167500000000, 0.0000524400000000, -0.0004314500000000 ] - [ 0.0000015200000000, 0.0000000100000000, 0.0000307000000000 ] - [ 0.0000001500000000, 0.0000001000000000, -0.0002174100000000 ] - [ -0.0000448200000000, 0.0000015100000000, 0.0002634300000000 ] - [ 0.0000012500000000, 0.0000000100000000, -0.0001408400000000 ] - [ 0.0000006100000000, -0.0000000900000000, 0.0001193100000000 ] - [ 0.0000000500000000, -0.0000001100000000, -0.0001458800000000 ] - [ -0.0000001800000000, 0.0000001000000000, -0.0002646200000000 ] - [ -0.0000010900000000, 0.0000001800000000, -0.0000557800000000 ] - [ 0.0000001200000000, -0.0000001200000000, -0.0002039000000000 ] - [ 0.0000010700000000, 0.0000001900000000, 0.0004805800000000 ] - [ 0.0000001100000000, 0.0000001000000000, -0.0000907100000000 ] - [ 0.0000000700000000, -0.0000001100000000, -0.0001519300000000 ] - [ 0.0000000600000000, 0.0000001000000000, -0.0002487200000000 ] - [ 0.0000000200000000, 0.0000001900000000, 0.0002096500000000 ]- atom: 47 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007356100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000735400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002142600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000024100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002148300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000990600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001870000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004969000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001019300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003061500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004558200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002073600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000828700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003183600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0309636600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001318000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002071900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005432100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003536700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003905800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001421500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004102100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001505300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000251100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003784300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001527900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003204500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001972900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001678000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000164800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003749800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002937400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003340100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016028300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005622200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003872300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004338100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000550600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004276800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001014300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002095500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001388900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004751900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001055800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003122200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002040300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0425518900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000686400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002074700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001251600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002891600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005357700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001329800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002391200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000267200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003786100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001733900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001902300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004453900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001436600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0097222500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001290100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001132300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004023000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000423600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002231400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000419300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001608300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000419800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001000500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005785800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000132800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000481800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001449700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003078800000000 ]- atom: 47 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003103800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004766500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001891100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004052900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001888900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003042900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002158900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000941800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003006600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000961900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000519600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006101400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004863800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000844400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0296177200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005345400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006097000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001397900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000499700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003117600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002608100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000073000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002523600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003749200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000235000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003549600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001150700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000059300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000375100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001891700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001678400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000899800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000256200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018076300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003568600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001811300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002313600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001414100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002225800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000980300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004082600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000612000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006753700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000953000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001070300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000059000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0420744000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001308600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000028300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003248600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004877000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003316600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000722000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004396200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002248900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005793900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000332400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000079500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006453200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003472700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0104382100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000759600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003135500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001168000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002470600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000233000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002419200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003606000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001609100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002996900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003744900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001863500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002474900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003445400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001033500000000 ]- atom: 48 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000003200000000, 0.0000001400000000, -0.0005238500000000 ] - [ -0.0000288000000000, -0.0000000600000000, 0.0002749600000000 ] - [ -0.0000004200000000, -0.0000003100000000, -0.0000126900000000 ] - [ 0.0000006900000000, 0.0000002000000000, 0.0002037800000000 ] - [ 0.0000001000000000, 0.0000001900000000, -0.0000130900000000 ] - [ -0.0000000800000000, -0.0000003400000000, 0.0001024700000000 ] - [ 0.0000004400000000, -0.0000003300000000, 0.0000143500000000 ] - [ 0.0000009700000000, -0.0000003200000000, -0.0002954400000000 ] - [ -0.0000003200000000, 0.0000001600000000, 0.0000992900000000 ] - [ -0.0000000800000000, 0.0000001900000000, -0.0001051900000000 ] - [ 0.0000003800000000, -0.0000003100000000, -0.0002540300000000 ] - [ -0.0000742200000000, 0.0000012600000000, 0.0004114900000000 ] - [ 0.0000013200000000, -0.0000003400000000, 0.0002845000000000 ] - [ 0.0000005400000000, -0.0000003200000000, -0.0001170900000000 ] - [ 0.0000003700000000, 0.0000002100000000, 0.0005581600000000 ] - [ -0.0000003800000000, 0.0000001600000000, 0.0003328900000000 ] - [ 0.0109668000000000, 0.0002039300000000, 0.0001675300000000 ] - [ -0.0000000800000000, 0.0000001500000000, -0.0003418900000000 ] - [ 0.0000001200000000, 0.0000001500000000, -0.0001520200000000 ] - [ 0.0000001600000000, -0.0000003600000000, 0.0003536500000000 ] - [ 0.0000013600000000, -0.0000003300000000, 0.0000590900000000 ] - [ 0.0000016100000000, -0.0000003100000000, -0.0002089000000000 ] - [ -0.0000005700000000, 0.0000001700000000, 0.0000507500000000 ] - [ -0.0000002500000000, 0.0000001900000000, 0.0001745300000000 ] - [ -0.0000001400000000, 0.0000001600000000, -0.0001775300000000 ] - [ 0.0000001700000000, 0.0000003000000000, -0.0002500200000000 ] - [ 0.0000001800000000, 0.0000003000000000, 0.0002219800000000 ] - [ -0.0000001200000000, 0.0000003000000000, 0.0000997200000000 ] - [ 0.0000001200000000, 0.0000001300000000, 0.0000692600000000 ] - [ 0.0000002400000000, 0.0000002900000000, -0.0000823800000000 ] - [ 0.0000004100000000, 0.0000001200000000, 0.0002758000000000 ] - [ 0.0000002800000000, 0.0000001200000000, 0.0001961700000000 ] - [ 0.0000004500000000, 0.0000001200000000, 0.0001845200000000 ] - [ -0.0000000500000000, 0.0000001800000000, -0.0000824400000000 ] - [ 0.0000001800000000, 0.0000002900000000, 0.0004636200000000 ] - [ 0.0000002600000000, 0.0000002200000000, 0.0002885100000000 ] - [ 0.0008992000000000, -0.0000085700000000, 0.0003500800000000 ] - [ 0.0000005200000000, -0.0000000700000000, -0.0000463900000000 ] - [ 0.0008218300000000, -0.0000517900000000, 0.0003062400000000 ] - [ 0.0000001000000000, 0.0000002000000000, -0.0000022500000000 ] - [ -0.0000005200000000, 0.0000002400000000, -0.0003127700000000 ] - [ 0.0000903900000000, -0.0000004200000000, 0.0000344200000000 ] - [ -0.0000000600000000, -0.0000000200000000, -0.0005789300000000 ] - [ 0.0000904900000000, 0.0000004400000000, 0.0000013600000000 ] - [ -0.0000003600000000, 0.0000003000000000, 0.0002139300000000 ] - [ 0.0000000600000000, 0.0000001900000000, 0.0001010400000000 ] - [ -0.0000002100000000, 0.0000003000000000, -0.0000544400000000 ] - [ -0.0127790900000000, -0.0001507000000000, 0.0002102200000000 ] - [ -0.0000005100000000, 0.0000001300000000, 0.0001094800000000 ] - [ 0.0000011000000000, -0.0000000100000000, -0.0002287800000000 ] - [ 0.0000005100000000, -0.0000000100000000, -0.0003920500000000 ] - [ -0.0000000600000000, 0.0000001300000000, 0.0004380900000000 ] - [ 0.0000000400000000, 0.0000001300000000, 0.0000345100000000 ] - [ 0.0000006400000000, -0.0000000300000000, -0.0003428400000000 ] - [ 0.0000015700000000, 0.0000000000000000, -0.0001297000000000 ] - [ -0.0000003700000000, 0.0000002200000000, -0.0004827900000000 ] - [ 0.0000000900000000, 0.0000003000000000, 0.0000741300000000 ] - [ 0.0000013800000000, 0.0000000200000000, 0.0000875300000000 ] - [ -0.0000007600000000, 0.0000002100000000, -0.0005489900000000 ] - [ -0.0000000400000000, 0.0000001300000000, -0.0002415800000000 ] - [ 0.0000010200000000, 0.0000001000000000, -0.0004546900000000 ] - [ -0.0000005700000000, 0.0000001300000000, 0.0000307800000000 ] - [ -0.0000003200000000, 0.0000002100000000, -0.0002173100000000 ] - [ 0.0000001500000000, 0.0000003000000000, 0.0002630900000000 ] - [ -0.0000000400000000, 0.0000001200000000, -0.0001407500000000 ] - [ 0.0000016600000000, 0.0000000100000000, 0.0001194000000000 ] - [ 0.0000012500000000, 0.0000000100000000, -0.0001457700000000 ] - [ -0.0000003200000000, 0.0000002100000000, -0.0002645200000000 ] - [ -0.0000000500000000, 0.0000002900000000, -0.0000556900000000 ] - [ 0.0000008700000000, -0.0000000100000000, -0.0002037900000000 ] - [ -0.0000025900000000, 0.0000003100000000, 0.0004806000000000 ] - [ -0.0000001400000000, 0.0000002000000000, -0.0000906100000000 ] - [ 0.0000014200000000, -0.0000000100000000, -0.0001518300000000 ] - [ -0.0000004000000000, 0.0000002100000000, -0.0002486100000000 ] - [ 0.0000001600000000, 0.0000003000000000, 0.0002097400000000 ]- atom: 48 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007230100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000595000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002112100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000059500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002111100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000971200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001847600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004944200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000988600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003033300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004526100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005300100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000863900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003161300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003603800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001348200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0306504800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005401500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003501100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001553700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001388200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004067900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001478600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000235800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003759300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001491200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003227400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002005300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001700100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000188600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003766600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002968800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002860500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000156000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005643000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003833100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020462700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000530900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0103060100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000957000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002153700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001718800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004812400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001390500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003140700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001992800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000457600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0422509100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002094800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001302600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002938400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005379500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001352600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002434600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000312400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003850300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001749200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001857300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004514400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001411300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003550800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001306500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001199300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003634800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000398300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002179800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000473200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001667200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000451100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001052300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005802000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000072100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000538800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001510000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003108900000000 ]- atom: 48 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003245000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004905300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001853300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004010500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001847000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003017500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002130500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000971600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002970300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000926800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000557700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002964800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004822300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000815200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007565300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005309300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0300576400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001436300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000458300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005511200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002568300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000113200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002491100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003725900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000204400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003546400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001171900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000050700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000356200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001873700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001704900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000910500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000800600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001761000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003589400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001898100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013265200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001415500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0098360600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000957300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004056000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000975300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006726100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001320300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001097100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000071300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001592700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0425259000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000051900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003230700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004861900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003340000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000703300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004383100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002242700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005762400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000305500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000064000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006423400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003459000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005487700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000735100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003102400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001589800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002455600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000251000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002398700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003580900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001602200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002980700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003770500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001839000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002453800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003419100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001045000000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000002100000000, -0.0000000100000000, -0.0005237700000000 ] - [ 0.0000003500000000, -0.0000004700000000, 0.0002751300000000 ] - [ 0.0000005800000000, -0.0000004600000000, -0.0000126100000000 ] - [ 0.0000003000000000, 0.0000000400000000, 0.0002038300000000 ] - [ -0.0001897800000000, -0.0000020300000000, -0.0000139300000000 ] - [ 0.0107349000000000, 0.0002051800000000, 0.0003428500000000 ] - [ 0.0000015300000000, -0.0000005000000000, 0.0000144200000000 ] - [ 0.0000009500000000, -0.0000004800000000, -0.0002953800000000 ] - [ 0.0000005200000000, 0.0000000000000000, 0.0000993600000000 ] - [ -0.0000002900000000, 0.0000000300000000, -0.0001051300000000 ] - [ 0.0000011500000000, -0.0000004600000000, -0.0002539600000000 ] - [ 0.0000010000000000, -0.0000004800000000, 0.0004085800000000 ] - [ 0.0000009200000000, -0.0000005000000000, 0.0002845600000000 ] - [ 0.0000006900000000, -0.0000004700000000, -0.0001170200000000 ] - [ 0.0000002100000000, 0.0000000500000000, 0.0005582200000000 ] - [ -0.0000003900000000, 0.0000000100000000, 0.0003329600000000 ] - [ 0.0000005500000000, 0.0000000200000000, 0.0004083500000000 ] - [ -0.0000000100000000, 0.0000000000000000, -0.0003418300000000 ] - [ 0.0000004500000000, -0.0000000100000000, -0.0001519500000000 ] - [ 0.0000007300000000, -0.0000005100000000, 0.0003537200000000 ] - [ 0.0000005800000000, -0.0000004900000000, 0.0000591600000000 ] - [ 0.0000005700000000, -0.0000004700000000, -0.0002088400000000 ] - [ 0.0000223200000000, 0.0000001200000000, 0.0000509200000000 ] - [ -0.0000003200000000, 0.0000000400000000, 0.0001746000000000 ] - [ 0.0000004800000000, 0.0000000100000000, -0.0001774700000000 ] - [ 0.0000002700000000, 0.0000001400000000, -0.0002502300000000 ] - [ -0.0000010500000000, 0.0000001500000000, 0.0002217800000000 ] - [ -0.0000719700000000, 0.0000001400000000, 0.0000992500000000 ] - [ 0.0000014100000000, -0.0000000300000000, 0.0000690500000000 ] - [ -0.0000003400000000, 0.0000001400000000, -0.0000825900000000 ] - [ 0.0000014600000000, -0.0000000300000000, 0.0002756000000000 ] - [ 0.0000009100000000, -0.0000000300000000, 0.0001959700000000 ] - [ 0.0000005500000000, -0.0000000300000000, 0.0001843300000000 ] - [ 0.0000003000000000, 0.0000000200000000, -0.0000825300000000 ] - [ -0.0000001400000000, 0.0000001400000000, 0.0004634200000000 ] - [ 0.0000012900000000, -0.0000000300000000, 0.0002883000000000 ] - [ 0.0000009000000000, -0.0000000300000000, 0.0003367200000000 ] - [ 0.0000004800000000, -0.0000002200000000, -0.0000464700000000 ] - [ 0.0000000700000000, 0.0000001500000000, 0.0003292800000000 ] - [ 0.0000002800000000, 0.0000000500000000, -0.0000023400000000 ] - [ -0.0000002500000000, 0.0000000900000000, -0.0003128400000000 ] - [ 0.0000002000000000, 0.0000000500000000, 0.0000346300000000 ] - [ 0.0000004400000000, -0.0000001700000000, -0.0005789900000000 ] - [ -0.0000001800000000, 0.0000000500000000, 0.0000004700000000 ] - [ -0.0000002800000000, 0.0000001400000000, 0.0002137200000000 ] - [ 0.0000001300000000, 0.0000000400000000, 0.0001009400000000 ] - [ 0.0000000600000000, 0.0000001400000000, -0.0000546400000000 ] - [ -0.0000003500000000, -0.0000001600000000, -0.0000352600000000 ] - [ -0.0121675700000000, -0.0001562300000000, -0.0001427300000000 ] - [ 0.0000000100000000, -0.0000001700000000, -0.0002288500000000 ] - [ 0.0000005300000000, -0.0000001600000000, -0.0003921200000000 ] - [ 0.0000011400000000, -0.0000000300000000, 0.0004379100000000 ] - [ 0.0000009700000000, -0.0000000200000000, 0.0000343100000000 ] - [ 0.0000003400000000, -0.0000001800000000, -0.0003429000000000 ] - [ 0.0000003500000000, -0.0000001600000000, -0.0001297900000000 ] - [ -0.0000000700000000, 0.0000000600000000, -0.0004828500000000 ] - [ -0.0000010500000000, 0.0000001500000000, 0.0000739200000000 ] - [ 0.0000001900000000, -0.0000001400000000, 0.0000874300000000 ] - [ -0.0000008000000000, 0.0000000600000000, -0.0005490600000000 ] - [ 0.0000007100000000, -0.0000000300000000, -0.0002417900000000 ] - [ 0.0000001100000000, -0.0000000600000000, -0.0004547600000000 ] - [ 0.0000011100000000, -0.0000000300000000, 0.0000305700000000 ] - [ 0.0008223500000000, -0.0000522600000000, -0.0001941600000000 ] - [ -0.0000003300000000, 0.0000001500000000, 0.0002628900000000 ] - [ 0.0000010000000000, -0.0000000400000000, -0.0001409500000000 ] - [ 0.0000001600000000, -0.0000001500000000, 0.0001193000000000 ] - [ 0.0000003700000000, -0.0000003000000000, -0.0001458700000000 ] - [ 0.0000005000000000, -0.0000000200000000, -0.0002643000000000 ] - [ 0.0000003700000000, 0.0000001400000000, -0.0000559100000000 ] - [ 0.0009012100000000, 0.0000110300000000, -0.0002118400000000 ] - [ 0.0000002900000000, 0.0000001400000000, 0.0004804900000000 ] - [ -0.0000003300000000, 0.0000000500000000, -0.0000906900000000 ] - [ 0.0000004400000000, -0.0000001600000000, -0.0001519200000000 ] - [ -0.0000025700000000, 0.0000000900000000, -0.0002486800000000 ] - [ -0.0000718300000000, -0.0000006300000000, 0.0002099900000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007263500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000730400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002142500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000024600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000234600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0305151300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001858200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004969000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001025100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003068300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004553500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002071700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000829800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003184900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003568500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001311700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002071500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005435300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003536300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001518800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001423700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004105600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001610600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000272100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003789900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001463000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003241600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002533000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001718900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000195600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003780900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002992600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002868600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000176600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005653800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003912000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004397400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000534900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004327000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000972100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002134900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001346500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004794800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001002100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003154800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002007000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000479400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000636700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0423724200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001302200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002928000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005407800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001378400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002436800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000300300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003834900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001766600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001872800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004503800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001386100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003539900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001338500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0099450200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003646800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000377100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002189300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000524400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001633400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000483500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014609900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005842500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000082900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000522200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001504600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003635400000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003209400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004775500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001894500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004056500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000533000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0300824100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002150900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000935900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003017200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000971600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000521300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006104700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004865100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000849300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007605200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005354900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006101400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001394900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000502400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005559000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002612200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000066600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002632900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003770900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000245500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003547100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001188400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000566300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000344300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001850900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001719900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000917300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000804500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001821500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003601900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001841300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002323400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001458800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002246900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001016800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004118200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000648900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006786900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000987300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001109000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000018800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001588700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001337500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0422441700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003278300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004928800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003334700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000695800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004422900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002293300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005822300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000292400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000119100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006476700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003458800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005542500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000740200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101952100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001599200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002449600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000200500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002397000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003642900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001609200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019155000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003756500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001896700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002517300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003475000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000550900000000 ]- atom: 50 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000000800000000, 0.0000001200000000, -0.0005238300000000 ] - [ 0.0000006300000000, -0.0000003400000000, 0.0002750700000000 ] - [ 0.0000002800000000, -0.0000003300000000, -0.0000126700000000 ] - [ 0.0000000600000000, 0.0000001800000000, 0.0002037700000000 ] - [ 0.0000007000000000, 0.0000001600000000, -0.0000130600000000 ] - [ 0.0000013300000000, -0.0000003600000000, 0.0001024700000000 ] - [ -0.0000740900000000, 0.0000012300000000, 0.0000173100000000 ] - [ -0.0000000500000000, -0.0000003500000000, -0.0002954400000000 ] - [ 0.0000003600000000, 0.0000001400000000, 0.0000993000000000 ] - [ 0.0109679900000000, 0.0002039200000000, -0.0003459600000000 ] - [ -0.0000004100000000, -0.0000003300000000, -0.0002540300000000 ] - [ 0.0000002400000000, -0.0000003500000000, 0.0004085200000000 ] - [ 0.0000008600000000, -0.0000003700000000, 0.0002845000000000 ] - [ 0.0000013600000000, -0.0000003400000000, -0.0001170800000000 ] - [ 0.0000002400000000, 0.0000001800000000, 0.0005581500000000 ] - [ -0.0000002700000000, 0.0000001300000000, 0.0003329000000000 ] - [ -0.0000000400000000, 0.0000001600000000, 0.0004082800000000 ] - [ -0.0000005600000000, 0.0000001300000000, -0.0003418900000000 ] - [ -0.0000003100000000, 0.0000001200000000, -0.0001520100000000 ] - [ 0.0000007000000000, -0.0000003800000000, 0.0003536500000000 ] - [ 0.0000001800000000, -0.0000003600000000, 0.0000590900000000 ] - [ -0.0000287400000000, -0.0000000900000000, -0.0002090100000000 ] - [ -0.0000002400000000, 0.0000001500000000, 0.0000507700000000 ] - [ -0.0000003000000000, 0.0000001700000000, 0.0001745300000000 ] - [ -0.0000003900000000, 0.0000001400000000, -0.0001775300000000 ] - [ 0.0000001900000000, 0.0000002700000000, -0.0002500700000000 ] - [ -0.0000002000000000, 0.0000002800000000, 0.0002219300000000 ] - [ -0.0000025700000000, 0.0000002900000000, 0.0000996100000000 ] - [ 0.0000002700000000, 0.0000002000000000, 0.0000692200000000 ] - [ -0.0000003500000000, 0.0000002700000000, -0.0000824300000000 ] - [ 0.0000004800000000, 0.0000001000000000, 0.0002757600000000 ] - [ 0.0000004600000000, 0.0000001000000000, 0.0001961300000000 ] - [ 0.0000004200000000, 0.0000000900000000, 0.0001845000000000 ] - [ -0.0000008700000000, 0.0000001500000000, -0.0000823900000000 ] - [ -0.0000001700000000, 0.0000002700000000, 0.0004636000000000 ] - [ 0.0000002700000000, 0.0000000900000000, 0.0002884700000000 ] - [ 0.0000005000000000, 0.0000000900000000, 0.0003368800000000 ] - [ 0.0000008400000000, -0.0000001000000000, -0.0000463300000000 ] - [ -0.0000003300000000, 0.0000002800000000, 0.0003294300000000 ] - [ -0.0000003600000000, 0.0000001800000000, -0.0000022000000000 ] - [ -0.0000002900000000, 0.0000002200000000, -0.0003126900000000 ] - [ -0.0000005100000000, 0.0000001800000000, 0.0000347700000000 ] - [ 0.0000014300000000, -0.0000000400000000, -0.0005788500000000 ] - [ -0.0000001600000000, 0.0000001800000000, 0.0000006100000000 ] - [ -0.0000008600000000, 0.0000002800000000, 0.0002138900000000 ] - [ -0.0000004000000000, 0.0000001700000000, 0.0001010800000000 ] - [ -0.0000002500000000, 0.0000002700000000, -0.0000544800000000 ] - [ 0.0000010800000000, -0.0000000200000000, -0.0000351300000000 ] - [ -0.0000000500000000, 0.0000001000000000, 0.0001094400000000 ] - [ -0.0127784500000000, -0.0001488500000000, 0.0000161300000000 ] - [ 0.0000015700000000, -0.0000000300000000, -0.0003919800000000 ] - [ 0.0000005600000000, 0.0000001000000000, 0.0004380700000000 ] - [ 0.0008979200000000, -0.0000085800000000, 0.0000476100000000 ] - [ 0.0000012500000000, -0.0000000500000000, -0.0003427500000000 ] - [ 0.0000007100000000, -0.0000000300000000, -0.0001296400000000 ] - [ 0.0000001200000000, 0.0000001900000000, -0.0004827200000000 ] - [ 0.0008221100000000, -0.0000518200000000, 0.0000508600000000 ] - [ 0.0000001400000000, -0.0000000100000000, 0.0000875800000000 ] - [ -0.0000001100000000, 0.0000001900000000, -0.0005489100000000 ] - [ 0.0000002900000000, 0.0000001000000000, -0.0002416300000000 ] - [ 0.0000006400000000, 0.0000000700000000, -0.0004546100000000 ] - [ -0.0000005000000000, 0.0000001000000000, 0.0000307200000000 ] - [ 0.0000000700000000, 0.0000001900000000, -0.0002172500000000 ] - [ -0.0000001100000000, 0.0000002700000000, 0.0002630400000000 ] - [ 0.0000004200000000, 0.0000000900000000, -0.0001408000000000 ] - [ 0.0000003600000000, -0.0000000200000000, 0.0001194400000000 ] - [ 0.0000013900000000, -0.0000000300000000, -0.0001457200000000 ] - [ 0.0000903500000000, -0.0000004400000000, -0.0002647500000000 ] - [ 0.0000001800000000, 0.0000002700000000, -0.0000557500000000 ] - [ 0.0000016500000000, -0.0000000300000000, -0.0002037300000000 ] - [ -0.0000003300000000, 0.0000002700000000, 0.0004806500000000 ] - [ -0.0000000100000000, 0.0000001800000000, -0.0000905500000000 ] - [ 0.0000009800000000, -0.0000000300000000, -0.0001517900000000 ] - [ 0.0000904000000000, 0.0000004200000000, -0.0002477600000000 ] - [ 0.0000001900000000, 0.0000002700000000, 0.0002097000000000 ]- atom: 50 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007228700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000758600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002110300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000056200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002108100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000955400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001350200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004950400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000987300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301386800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004524000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002105400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000863300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003149700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003606100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001351400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002101200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005404000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003500800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001550600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001391200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004246300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001473700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000238700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003756700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001494100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003223000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001991300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001639600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000176900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003764600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002976800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002846900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000156100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005639900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003888400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004372100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000529200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004296900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000955700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002151400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001329200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004807400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000990900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003136200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001993200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000458800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000639400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002093400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0424476300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002933500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005386900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017409300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002441700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000307800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003845100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100518100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001855900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004508600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001410500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003540800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001305800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001189200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003630800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000400500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002180900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000474900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001272600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000452600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001050300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005812200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000075400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000530100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001100600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003104200000000 ]- atom: 50 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003250800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004741500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001857600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004019700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001847700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003004600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000968300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000959300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002973900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0305739300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000557600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006065600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004826400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000808400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007559300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005309100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006066200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001432400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000461500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005522700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002572700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000075900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002489900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003731500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000207400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003494500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001225700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000013700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000243900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001812300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001757400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000964300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000845500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001804000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003636500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001886200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002369500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001454200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002298800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001005600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004110300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000637100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006780100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000981500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001149400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000026600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001538800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001346300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000105500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0423270900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004916000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003377900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016218000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004423900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002291000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005817300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100879100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000106600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006477200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003413500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005559700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000681700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003164000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001628700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002405500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000204700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002448600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004020900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001556000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003034000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003807200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001893200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002513200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003858000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001083300000000 ]- atom: 51 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000006000000000, 0.0000001300000000, -0.0005239100000000 ] - [ 0.0000002400000000, -0.0000003200000000, 0.0002749900000000 ] - [ 0.0000006600000000, -0.0000003200000000, -0.0000127500000000 ] - [ -0.0000003000000000, 0.0000001900000000, 0.0002036900000000 ] - [ -0.0000002400000000, 0.0000001700000000, -0.0000131500000000 ] - [ 0.0000002200000000, -0.0000003500000000, 0.0001023900000000 ] - [ 0.0000013500000000, -0.0000003400000000, 0.0000142900000000 ] - [ 0.0000014300000000, -0.0000003300000000, -0.0002955200000000 ] - [ -0.0000002400000000, 0.0000001500000000, 0.0000992100000000 ] - [ 0.0000007300000000, 0.0000001700000000, -0.0001052600000000 ] - [ -0.0000288100000000, -0.0000000700000000, -0.0002542100000000 ] - [ 0.0000008500000000, -0.0000003400000000, 0.0004084300000000 ] - [ 0.0000007500000000, -0.0000003600000000, 0.0002844200000000 ] - [ -0.0000003500000000, -0.0000003300000000, -0.0001171700000000 ] - [ 0.0000005100000000, 0.0000002000000000, 0.0005580700000000 ] - [ 0.0000000200000000, 0.0000001500000000, 0.0003328200000000 ] - [ 0.0000001100000000, 0.0000001700000000, 0.0004082000000000 ] - [ -0.0000003100000000, 0.0000001400000000, -0.0003419700000000 ] - [ -0.0000003400000000, 0.0000001400000000, -0.0001521000000000 ] - [ 0.0000002600000000, -0.0000003700000000, 0.0003535600000000 ] - [ 0.0000003500000000, -0.0000003400000000, 0.0000590100000000 ] - [ -0.0000742500000000, 0.0000012700000000, -0.0002060000000000 ] - [ 0.0000003500000000, 0.0000001700000000, 0.0000506900000000 ] - [ 0.0000002100000000, 0.0000001900000000, 0.0001744500000000 ] - [ 0.0109704100000000, 0.0002039500000000, -0.0004184000000000 ] - [ -0.0000003300000000, 0.0000002900000000, -0.0002501200000000 ] - [ -0.0000008400000000, 0.0000003000000000, 0.0002218900000000 ] - [ 0.0000004400000000, 0.0000002100000000, 0.0000993400000000 ] - [ 0.0008997600000000, -0.0000085800000000, 0.0000823500000000 ] - [ 0.0008225200000000, -0.0000518100000000, -0.0001057000000000 ] - [ 0.0000002900000000, 0.0000001100000000, 0.0002757100000000 ] - [ 0.0000005100000000, 0.0000001100000000, 0.0001960800000000 ] - [ 0.0000002300000000, 0.0000001100000000, 0.0001844400000000 ] - [ -0.0000005900000000, 0.0000001600000000, -0.0000824900000000 ] - [ -0.0000002200000000, 0.0000002900000000, 0.0004635400000000 ] - [ 0.0000005300000000, 0.0000001100000000, 0.0002884200000000 ] - [ 0.0000005900000000, 0.0000001100000000, 0.0003368300000000 ] - [ 0.0000012400000000, -0.0000000800000000, -0.0000464200000000 ] - [ -0.0000003000000000, 0.0000002900000000, 0.0003293800000000 ] - [ -0.0000004900000000, 0.0000001900000000, -0.0000023100000000 ] - [ -0.0000000800000000, 0.0000002300000000, -0.0003128100000000 ] - [ -0.0000001300000000, 0.0000001900000000, 0.0000346600000000 ] - [ 0.0000016000000000, -0.0000000200000000, -0.0005789600000000 ] - [ -0.0000003700000000, 0.0000001900000000, 0.0000005000000000 ] - [ -0.0000003000000000, 0.0000002900000000, 0.0002138400000000 ] - [ -0.0000008300000000, 0.0000001800000000, 0.0001009700000000 ] - [ -0.0000007700000000, 0.0000002900000000, -0.0000545300000000 ] - [ 0.0000003700000000, -0.0000000100000000, -0.0000352400000000 ] - [ 0.0000004800000000, 0.0000001100000000, 0.0001093900000000 ] - [ 0.0000016700000000, -0.0000000200000000, -0.0002288300000000 ] - [ -0.0127849500000000, -0.0001498700000000, -0.0001409600000000 ] - [ 0.0000004400000000, 0.0000001100000000, 0.0004380200000000 ] - [ -0.0000000200000000, 0.0000001200000000, 0.0000344200000000 ] - [ 0.0000014500000000, -0.0000000400000000, -0.0003428700000000 ] - [ 0.0000011100000000, -0.0000000100000000, -0.0001297600000000 ] - [ 0.0000905600000000, -0.0000004200000000, -0.0004831300000000 ] - [ -0.0000025500000000, 0.0000003100000000, 0.0000739600000000 ] - [ 0.0000006200000000, 0.0000000100000000, 0.0000874600000000 ] - [ 0.0000001400000000, 0.0000002100000000, -0.0005490200000000 ] - [ 0.0000004400000000, 0.0000001100000000, -0.0002416800000000 ] - [ 0.0000004500000000, 0.0000000900000000, -0.0004547300000000 ] - [ 0.0000003100000000, 0.0000001100000000, 0.0000306800000000 ] - [ 0.0000000100000000, 0.0000002000000000, -0.0002173700000000 ] - [ 0.0000001900000000, 0.0000002900000000, 0.0002629900000000 ] - [ 0.0000002900000000, 0.0000002000000000, -0.0001408400000000 ] - [ 0.0000001600000000, 0.0000000000000000, 0.0001193400000000 ] - [ 0.0000010100000000, -0.0000000100000000, -0.0001458400000000 ] - [ 0.0000905900000000, 0.0000004300000000, -0.0002637800000000 ] - [ 0.0000002200000000, 0.0000002800000000, -0.0000558000000000 ] - [ 0.0000014100000000, -0.0000000200000000, -0.0002038400000000 ] - [ -0.0000001500000000, 0.0000002900000000, 0.0004806000000000 ] - [ -0.0000003400000000, 0.0000001900000000, -0.0000906700000000 ] - [ 0.0000007200000000, -0.0000000200000000, -0.0001518900000000 ] - [ 0.0000001000000000, 0.0000002100000000, -0.0002486600000000 ] - [ -0.0000001700000000, 0.0000002900000000, 0.0002096400000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007230400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000765500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002123900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000046900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002115900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000962000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001844300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004941500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000991000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003032600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004693600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002100200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000853400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003160900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003610900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001343300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002096400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005400500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003505800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001540500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001395200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000872500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001477000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000234300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0300632900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001539400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003170900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001957400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017745800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0098931400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003715400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002922000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002806200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000197500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005593600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003842100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004329000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000563100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004252800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001004700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002099700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001379000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004760900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001034200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003094800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002037600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000396100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000682500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002064300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001256900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0426042800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005335500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001297700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002406000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000260500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003414800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001693000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001917500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004468600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001446500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003485000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001267200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001146100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003602100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000500700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002219300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000423500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001209000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000406700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001008700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005766100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000118900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000482900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001455400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003054300000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003246600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004728400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001863000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004021700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001850000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003004700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002123000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000978500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002970300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000925300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000383100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006065800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004828600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000812000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007556300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005310900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006063800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001438900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000460000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005521500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002573400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003217900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002486700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003722700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0306458700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003490600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001229200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000018600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015912600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0102462600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001758100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000959200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000843000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001804800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003635300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001884100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002364500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001454500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002293700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001010000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004116900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000642000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006787600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000980900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001141900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000027200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001533700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001343800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000096500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003285500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0421862600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003380200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000645800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004421100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002294200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006206700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000243600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000126100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006481100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003416200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005557400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000691400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003162300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001624000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002345600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000209300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002455100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004020300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001553700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003030900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003806100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001891400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002515000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003479300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001101700000000 ]- atom: 52 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000003700000000, 0.0000000100000000, -0.0005237600000000 ] - [ 0.0000005500000000, -0.0000004400000000, 0.0002751500000000 ] - [ 0.0000011400000000, -0.0000004400000000, -0.0000125900000000 ] - [ -0.0001899100000000, -0.0000019900000000, 0.0002029400000000 ] - [ 0.0000002300000000, 0.0000000600000000, -0.0000130000000000 ] - [ 0.0000009200000000, -0.0000004700000000, 0.0001025500000000 ] - [ 0.0000009500000000, -0.0000004600000000, 0.0000144400000000 ] - [ 0.0000006400000000, -0.0000004600000000, -0.0002953600000000 ] - [ 0.0000004400000000, 0.0000000300000000, 0.0000993700000000 ] - [ -0.0000001100000000, 0.0000000600000000, -0.0001051100000000 ] - [ 0.0000010900000000, -0.0000004300000000, -0.0002539400000000 ] - [ 0.0000014900000000, -0.0000004700000000, 0.0004085900000000 ] - [ 0.0107304000000000, 0.0002051400000000, 0.0005248400000000 ] - [ 0.0000013200000000, -0.0000004400000000, -0.0001170000000000 ] - [ 0.0000005300000000, 0.0000000700000000, 0.0005582400000000 ] - [ 0.0000004800000000, 0.0000000300000000, 0.0003329800000000 ] - [ -0.0000002800000000, 0.0000000500000000, 0.0004083600000000 ] - [ -0.0000006500000000, 0.0000000200000000, -0.0003418100000000 ] - [ 0.0000002100000000, 0.0000000100000000, -0.0001519300000000 ] - [ 0.0000010900000000, -0.0000007000000000, 0.0003540600000000 ] - [ 0.0000006900000000, -0.0000004600000000, 0.0000591700000000 ] - [ 0.0000005300000000, -0.0000004500000000, -0.0002088200000000 ] - [ -0.0000000200000000, 0.0000000400000000, 0.0000508400000000 ] - [ 0.0000223700000000, 0.0000001600000000, 0.0001747200000000 ] - [ -0.0000000100000000, 0.0000000300000000, -0.0001774500000000 ] - [ 0.0000005700000000, 0.0000001700000000, -0.0002501700000000 ] - [ 0.0000002600000000, 0.0000001700000000, 0.0002218400000000 ] - [ -0.0000003400000000, 0.0000001700000000, 0.0000995800000000 ] - [ 0.0000001300000000, -0.0000000100000000, 0.0000691000000000 ] - [ 0.0000008200000000, 0.0000001700000000, -0.0000825400000000 ] - [ 0.0000009800000000, -0.0000000100000000, 0.0002756700000000 ] - [ 0.0000007000000000, -0.0000000100000000, 0.0001960300000000 ] - [ 0.0000009000000000, 0.0000000000000000, 0.0001843900000000 ] - [ -0.0000003700000000, 0.0000000500000000, -0.0000825500000000 ] - [ -0.0000720900000000, -0.0000006200000000, 0.0004639500000000 ] - [ 0.0000014000000000, -0.0000000100000000, 0.0002883700000000 ] - [ 0.0000009600000000, 0.0000000000000000, 0.0003367800000000 ] - [ 0.0000004800000000, -0.0000002000000000, -0.0000464900000000 ] - [ -0.0000010600000000, 0.0000001700000000, 0.0003293300000000 ] - [ -0.0000000900000000, 0.0000000700000000, -0.0000023600000000 ] - [ -0.0000000100000000, 0.0000001100000000, -0.0003128700000000 ] - [ 0.0000002400000000, 0.0000000700000000, 0.0000346000000000 ] - [ 0.0000002100000000, -0.0000001400000000, -0.0005790100000000 ] - [ -0.0000025900000000, 0.0000001000000000, 0.0000004500000000 ] - [ -0.0000003500000000, 0.0000001700000000, 0.0002137900000000 ] - [ 0.0008224800000000, -0.0000522500000000, 0.0001241400000000 ] - [ -0.0000010500000000, 0.0000001700000000, -0.0000545700000000 ] - [ 0.0000000000000000, -0.0000001300000000, -0.0000352900000000 ] - [ 0.0000010900000000, -0.0000000100000000, 0.0001093400000000 ] - [ 0.0000005500000000, -0.0000001400000000, -0.0002288800000000 ] - [ 0.0000004600000000, -0.0000001400000000, -0.0003921500000000 ] - [ -0.0121623100000000, -0.0001578600000000, 0.0001847800000000 ] - [ 0.0000003600000000, -0.0000000100000000, 0.0000343700000000 ] - [ 0.0000005100000000, -0.0000001500000000, -0.0003429200000000 ] - [ 0.0000005300000000, -0.0000001300000000, -0.0001298100000000 ] - [ -0.0000002300000000, 0.0000000900000000, -0.0004828800000000 ] - [ 0.0000002100000000, 0.0000001700000000, 0.0000739700000000 ] - [ 0.0000003600000000, -0.0000002600000000, 0.0000874000000000 ] - [ -0.0000008200000000, 0.0000000900000000, -0.0005490700000000 ] - [ 0.0000003700000000, 0.0000000000000000, -0.0002417400000000 ] - [ 0.0000004800000000, -0.0000000300000000, -0.0004547900000000 ] - [ 0.0000000000000000, -0.0000000100000000, 0.0000306200000000 ] - [ -0.0000002800000000, 0.0000000800000000, -0.0002174200000000 ] - [ 0.0000011400000000, 0.0000001700000000, 0.0002629300000000 ] - [ 0.0000005900000000, -0.0000000100000000, -0.0001409000000000 ] - [ 0.0009019200000000, 0.0000110900000000, 0.0001112900000000 ] - [ 0.0000003300000000, -0.0000001300000000, -0.0001458900000000 ] - [ -0.0000002300000000, 0.0000000800000000, -0.0002646200000000 ] - [ 0.0000009600000000, 0.0000001700000000, -0.0000558600000000 ] - [ 0.0000005000000000, -0.0000001300000000, -0.0002038900000000 ] - [ -0.0000720200000000, 0.0000001700000000, 0.0004802700000000 ] - [ -0.0000008300000000, 0.0000000800000000, -0.0000907300000000 ] - [ 0.0000004300000000, -0.0000001300000000, -0.0001519500000000 ] - [ -0.0000003000000000, 0.0000000800000000, -0.0002487100000000 ] - [ 0.0000003500000000, 0.0000001700000000, 0.0002095900000000 ]- atom: 52 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007258100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000730700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002144100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002399000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002149300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000992600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001875600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004980800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001027200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003072500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004556200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002082800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0306928800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003185300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003570100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001312000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002061700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005438800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003538500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001512400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001425800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004111700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001512900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000369500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003794700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001519600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003203200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001969300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001660900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000156000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003735000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002939300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002832900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000214400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006124100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003857700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004348400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000579300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004267300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001025900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002075100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001414900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004740900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001044400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003103900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0102682800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000414900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000689600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002073700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001236100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002874100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0420469500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001320600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002377900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000248600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003779600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001717600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001857700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004447200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001432900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003471900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001268300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001125900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003609500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000420400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017902700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000411100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001596400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000421000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000989400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006298100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000136200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000467300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001435700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003086300000000 ]- atom: 52 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003203700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004770400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001890800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001632400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001889400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003043000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002163100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000933800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003013700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000971000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000523300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006091100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0298968500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000844200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007609400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005349700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006105800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001392100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000500100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005552100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002611200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000065100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002530000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003869400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000243500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003572700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001140300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000069000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000371600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001896100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001682000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000886300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000772600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001783700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003055700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001814400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002294300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001428600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002225000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000981600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004088000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000612700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006752100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000946400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001077200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0098726300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001608600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001303900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000017700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003252200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004883100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0425618100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000726100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004396400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002269500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005788900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000329300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000028500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006446200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003490500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005511200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000754200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003131500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001572600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002486800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015902400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002417500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003606100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001626300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002997800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003207900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001857000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002479800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003448300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001013500000000 ]- atom: 53 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000001200000000, 0.0000000400000000, -0.0005237300000000 ] - [ 0.0000009300000000, -0.0000004100000000, 0.0002751800000000 ] - [ 0.0000003000000000, -0.0000004200000000, -0.0000125600000000 ] - [ -0.0000004000000000, 0.0000001000000000, 0.0002038800000000 ] - [ 0.0000222400000000, 0.0000001800000000, -0.0000128800000000 ] - [ 0.0000005400000000, -0.0000004500000000, 0.0001025900000000 ] - [ 0.0107330500000000, 0.0002052000000000, 0.0002547600000000 ] - [ 0.0000006900000000, -0.0000004300000000, -0.0002953200000000 ] - [ -0.0000004300000000, 0.0000000600000000, 0.0000994100000000 ] - [ -0.0001892300000000, -0.0000019900000000, -0.0001060600000000 ] - [ 0.0000005100000000, -0.0000004100000000, -0.0002539100000000 ] - [ 0.0000008300000000, -0.0000004300000000, 0.0004086300000000 ] - [ 0.0000007000000000, -0.0000004500000000, 0.0002846100000000 ] - [ 0.0000011400000000, -0.0000004200000000, -0.0001169700000000 ] - [ 0.0000000600000000, 0.0000001000000000, 0.0005582700000000 ] - [ 0.0000005400000000, 0.0000000500000000, 0.0003330200000000 ] - [ 0.0000002800000000, 0.0000000700000000, 0.0004084000000000 ] - [ 0.0000003700000000, 0.0000000400000000, -0.0003417800000000 ] - [ 0.0000004500000000, 0.0000000400000000, -0.0001519000000000 ] - [ 0.0000009400000000, -0.0000004600000000, 0.0003537700000000 ] - [ 0.0000005700000000, -0.0000004400000000, 0.0000592000000000 ] - [ 0.0000014500000000, -0.0000004300000000, -0.0002087900000000 ] - [ 0.0000004400000000, 0.0000000700000000, 0.0000508800000000 ] - [ 0.0000001000000000, 0.0000000900000000, 0.0001746500000000 ] - [ -0.0000003100000000, 0.0000000600000000, -0.0001774100000000 ] - [ -0.0000004000000000, 0.0000001900000000, -0.0002501200000000 ] - [ -0.0000003300000000, 0.0000001900000000, 0.0002218700000000 ] - [ -0.0000718900000000, -0.0000005900000000, 0.0001000800000000 ] - [ 0.0000009200000000, 0.0000000200000000, 0.0000691500000000 ] - [ -0.0000011000000000, 0.0000001900000000, -0.0000825000000000 ] - [ 0.0000012400000000, 0.0000000200000000, 0.0002757000000000 ] - [ 0.0000014200000000, 0.0000000200000000, 0.0001960700000000 ] - [ -0.0000000700000000, 0.0000000100000000, 0.0001844400000000 ] - [ 0.0000001200000000, 0.0000000700000000, -0.0000825300000000 ] - [ 0.0000000200000000, 0.0000001900000000, 0.0004635300000000 ] - [ 0.0000008500000000, 0.0000000100000000, 0.0002884100000000 ] - [ 0.0000010900000000, 0.0000000200000000, 0.0003368200000000 ] - [ 0.0000002600000000, -0.0000001700000000, -0.0000464700000000 ] - [ 0.0000002500000000, 0.0000002000000000, 0.0003293700000000 ] - [ 0.0000001600000000, 0.0000001000000000, -0.0000023500000000 ] - [ -0.0000008500000000, 0.0000001400000000, -0.0003128500000000 ] - [ -0.0000002300000000, 0.0000001000000000, 0.0000346300000000 ] - [ 0.0000004800000000, -0.0000001200000000, -0.0005790000000000 ] - [ 0.0000000900000000, 0.0000001000000000, 0.0000004700000000 ] - [ 0.0000000200000000, 0.0000001900000000, 0.0002138300000000 ] - [ 0.0000002600000000, 0.0000000800000000, 0.0001009400000000 ] - [ 0.0000007500000000, 0.0000001900000000, -0.0000545300000000 ] - [ 0.0000001000000000, -0.0000001000000000, -0.0000352700000000 ] - [ 0.0000008500000000, 0.0000000200000000, 0.0001093800000000 ] - [ 0.0008978100000000, 0.0000110300000000, -0.0002367600000000 ] - [ -0.0000000400000000, -0.0000001200000000, -0.0003921300000000 ] - [ 0.0000004900000000, 0.0000000200000000, 0.0004380000000000 ] - [ -0.0121594100000000, -0.0001597000000000, -0.0002211500000000 ] - [ 0.0000003900000000, -0.0000001300000000, -0.0003429100000000 ] - [ -0.0000003900000000, -0.0000001200000000, -0.0001297900000000 ] - [ 0.0000004500000000, 0.0000000400000000, -0.0004825800000000 ] - [ -0.0000718000000000, 0.0000002000000000, 0.0000737400000000 ] - [ 0.0000000100000000, -0.0000000900000000, 0.0000874300000000 ] - [ -0.0000001200000000, 0.0000001100000000, -0.0005490600000000 ] - [ 0.0000009400000000, 0.0000000200000000, -0.0002416900000000 ] - [ 0.0000000900000000, -0.0000000100000000, -0.0004547700000000 ] - [ 0.0000006500000000, 0.0000000200000000, 0.0000306600000000 ] - [ -0.0000003800000000, 0.0000001100000000, -0.0002174000000000 ] - [ 0.0000003100000000, 0.0000001900000000, 0.0002629700000000 ] - [ 0.0000013700000000, 0.0000000100000000, -0.0001408600000000 ] - [ 0.0000001400000000, -0.0000001000000000, 0.0001193000000000 ] - [ 0.0000003900000000, -0.0000001000000000, -0.0001458700000000 ] - [ -0.0000026000000000, 0.0000001300000000, -0.0002645900000000 ] - [ 0.0000002300000000, 0.0000001900000000, -0.0000558100000000 ] - [ 0.0000003100000000, -0.0000002600000000, -0.0002038800000000 ] - [ -0.0000002000000000, 0.0000001900000000, 0.0004805800000000 ] - [ 0.0000002200000000, 0.0000001000000000, -0.0000907000000000 ] - [ 0.0000002900000000, -0.0000001100000000, -0.0001519300000000 ] - [ 0.0008223100000000, -0.0000522100000000, -0.0002254600000000 ] - [ -0.0000011000000000, 0.0000001900000000, 0.0002096400000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007260200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000732700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002150000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000014700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002248200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000994400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0304255900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004975500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001029700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000695700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004558900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002068600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000823000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003187800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003573000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001315000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002066600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005435300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003537000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001513600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001425900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004092100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001513300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000270900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003797700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001527500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003187500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002485400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001678100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000157100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003736400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002935500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002820400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000219600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005612300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003865400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004348100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000575100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004281200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001026800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002088200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001394900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004748000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001052700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003122700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002061900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000427100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000695400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002079600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014326900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002888100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005355400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0424419000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002385200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000258600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003767900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002234400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001922500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004448300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001430000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003479100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001287100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001133500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003628700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000426600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002240600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000409100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001611900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000432700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001054900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005777800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000139900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000470500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0099177400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003069100000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003200600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004768700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001897700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004061000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001992500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003046000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301704800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000937900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003017100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001448600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000519000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006106100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004867400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000847500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007606900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005347500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006101300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001394600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000499800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005551900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002612700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000083000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002531500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003768800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000247600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003554300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001166500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000570000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000375300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001885100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001689900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000901500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000787100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001788300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003570300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001814500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002298800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001430700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002217500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000989900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004080800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000614600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006764800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000955900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001066700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000045300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001616000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001313000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000027900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019297300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004879500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003311800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0421443200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004396000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002253900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005792300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000847700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000091400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006452700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003483800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005507300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000765100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003137900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001559100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002470300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000230100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002429700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003603200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001629600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002948400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003747600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001870600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002485000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0102225200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001044200000000 ]- atom: 54 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000005500000000, -0.0000004200000000, -0.0005244900000000 ] - [ 0.0000007000000000, -0.0000003100000000, 0.0002750600000000 ] - [ 0.0000008400000000, -0.0000003100000000, -0.0000126700000000 ] - [ 0.0000004300000000, 0.0000002000000000, 0.0002037700000000 ] - [ -0.0000002900000000, 0.0000001800000000, -0.0000130800000000 ] - [ 0.0000007300000000, -0.0000003400000000, 0.0001024700000000 ] - [ 0.0000003700000000, -0.0000003300000000, 0.0000143600000000 ] - [ -0.0000287800000000, -0.0000000700000000, -0.0002955400000000 ] - [ 0.0000001600000000, 0.0000001600000000, 0.0000992900000000 ] - [ 0.0000003400000000, 0.0000001900000000, -0.0001051900000000 ] - [ 0.0000013300000000, -0.0000003000000000, -0.0002540100000000 ] - [ 0.0000002600000000, -0.0000003300000000, 0.0004085100000000 ] - [ 0.0000018200000000, -0.0000003500000000, 0.0002844900000000 ] - [ -0.0000743000000000, 0.0000012700000000, -0.0001140700000000 ] - [ 0.0000004600000000, 0.0000002000000000, 0.0005581500000000 ] - [ -0.0000002300000000, 0.0000001500000000, 0.0003329000000000 ] - [ 0.0000002200000000, 0.0000001800000000, 0.0004082800000000 ] - [ 0.0109775100000000, 0.0002040200000000, -0.0005827500000000 ] - [ 0.0000007900000000, 0.0000001400000000, -0.0001520000000000 ] - [ 0.0000012200000000, -0.0000003600000000, 0.0003536500000000 ] - [ 0.0000003100000000, -0.0000003400000000, 0.0000590900000000 ] - [ 0.0000001700000000, -0.0000003200000000, -0.0002089000000000 ] - [ 0.0000000100000000, 0.0000001700000000, 0.0000507700000000 ] - [ -0.0000002700000000, 0.0000001900000000, 0.0001745300000000 ] - [ -0.0000001900000000, 0.0000001600000000, -0.0001775200000000 ] - [ -0.0000025500000000, 0.0000003100000000, -0.0002501200000000 ] - [ -0.0000002900000000, 0.0000003000000000, 0.0002219500000000 ] - [ -0.0000008300000000, 0.0000003000000000, 0.0000997000000000 ] - [ 0.0000005000000000, 0.0000001200000000, 0.0000692300000000 ] - [ 0.0000002300000000, 0.0000002900000000, -0.0000824200000000 ] - [ 0.0000006000000000, 0.0000001200000000, 0.0002757700000000 ] - [ 0.0000005400000000, 0.0000001200000000, 0.0001961400000000 ] - [ 0.0000005400000000, 0.0000001200000000, 0.0001845100000000 ] - [ -0.0000010900000000, 0.0000001600000000, -0.0000824000000000 ] - [ 0.0000000200000000, 0.0000002900000000, 0.0004636000000000 ] - [ 0.0000004600000000, 0.0000001100000000, 0.0002884800000000 ] - [ 0.0000002400000000, 0.0000001200000000, 0.0003368900000000 ] - [ 0.0000015700000000, -0.0000000700000000, -0.0000463500000000 ] - [ -0.0000002100000000, 0.0000003000000000, 0.0003294500000000 ] - [ -0.0000003500000000, 0.0000002000000000, -0.0000022100000000 ] - [ 0.0000909400000000, -0.0000003900000000, -0.0003130200000000 ] - [ -0.0000008100000000, 0.0000002000000000, 0.0000347600000000 ] - [ 0.0000016900000000, -0.0000000200000000, -0.0005788800000000 ] - [ -0.0000005600000000, 0.0000002000000000, 0.0000006000000000 ] - [ -0.0000001300000000, 0.0000003000000000, 0.0002139000000000 ] - [ -0.0000007900000000, 0.0000001800000000, 0.0001010700000000 ] - [ 0.0000001500000000, 0.0000002900000000, -0.0000544600000000 ] - [ 0.0000006200000000, 0.0000000000000000, -0.0000351400000000 ] - [ 0.0000003000000000, 0.0000001200000000, 0.0001094600000000 ] - [ 0.0000010200000000, -0.0000000100000000, -0.0002287400000000 ] - [ 0.0000014200000000, -0.0000000100000000, -0.0003920100000000 ] - [ 0.0000005100000000, 0.0000001200000000, 0.0004380800000000 ] - [ 0.0000005200000000, 0.0000001200000000, 0.0000344800000000 ] - [ -0.0127948800000000, -0.0001499600000000, -0.0000972800000000 ] - [ 0.0000001700000000, -0.0000000100000000, -0.0001296500000000 ] - [ 0.0000001300000000, 0.0000002100000000, -0.0004827400000000 ] - [ -0.0000001600000000, 0.0000003000000000, 0.0000741000000000 ] - [ 0.0000000400000000, 0.0000000100000000, 0.0000875700000000 ] - [ 0.0000908300000000, 0.0000004500000000, -0.0005481500000000 ] - [ 0.0009023200000000, -0.0000086200000000, -0.0002283400000000 ] - [ -0.0000006600000000, 0.0000001000000000, -0.0004546500000000 ] - [ 0.0000003200000000, 0.0000002200000000, 0.0000307600000000 ] - [ -0.0000004800000000, 0.0000002100000000, -0.0002172700000000 ] - [ -0.0000003000000000, 0.0000003000000000, 0.0002630700000000 ] - [ -0.0000000100000000, 0.0000001200000000, -0.0001407800000000 ] - [ 0.0000004200000000, 0.0000000000000000, 0.0001194400000000 ] - [ 0.0000011200000000, 0.0000000000000000, -0.0001457400000000 ] - [ 0.0000000300000000, 0.0000002000000000, -0.0002644800000000 ] - [ 0.0008230800000000, -0.0000518100000000, -0.0000789500000000 ] - [ 0.0000007300000000, -0.0000000100000000, -0.0002037500000000 ] - [ -0.0000007600000000, 0.0000003000000000, 0.0004806500000000 ] - [ -0.0000001200000000, 0.0000002000000000, -0.0000905700000000 ] - [ 0.0000003800000000, -0.0000000100000000, -0.0001518000000000 ] - [ -0.0000003300000000, 0.0000002100000000, -0.0002485700000000 ] - [ -0.0000002900000000, 0.0000003000000000, 0.0002097100000000 ]- atom: 54 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007228200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000762500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002109000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000059400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002110200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000966800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001841700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005113700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000989800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003032800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004525200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002098600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000865600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000059300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003603800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001344500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002104900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0299034500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003499800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001552800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001389200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004069500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001474300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000237400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003756500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001517100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003211100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001980600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001694200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000169100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003749600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002950600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002834000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000168700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005625300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003872200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004356900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000537200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004283600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000975100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001737100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001343600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004788700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001000300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003128400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002008800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000438500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000662000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002084100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001284300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002922300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005370700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001337900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0425800100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000301500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003828200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001730200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001867900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004084000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014732100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003530500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001238100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001176600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003620200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000423300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002203400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000452300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001649100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0099253400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001033600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005789000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000094000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000516000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001493000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003085600000000 ]- atom: 54 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003249100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004736400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001854800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004015400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001848700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003015500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002129200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000794000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002975100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000929200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000555800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006071900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004823000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002313700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007564000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005315600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006061600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0308121400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000460200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005517100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002571000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000109600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002489700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003730000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000205900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003483200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001220400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000007500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000304200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001819900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001755000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000961900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000845700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001803300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003636200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001885500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002368400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001454100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002295400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001007300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004506000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000633900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006786200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000974000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001139800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000028000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001539900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001351700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000096200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003282000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004911200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003377400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000655700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0422311800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002280000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005819000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000253100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000103200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006864100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019079700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005544400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000628500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003157900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001635500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002396900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000198300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002452800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003632500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0102221700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003032300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003814500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001893600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002508700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003469100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001101700000000 ]- atom: 55 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000001700000000, 0.0000001100000000, -0.0005239000000000 ] - [ -0.0000743200000000, 0.0000012400000000, 0.0002779700000000 ] - [ -0.0000288900000000, -0.0000001000000000, -0.0000128400000000 ] - [ -0.0000003100000000, 0.0000001600000000, 0.0002037200000000 ] - [ -0.0000006300000000, 0.0000001500000000, -0.0000131400000000 ] - [ 0.0000013500000000, -0.0000003800000000, 0.0001024200000000 ] - [ -0.0000001400000000, -0.0000003700000000, 0.0000143000000000 ] - [ 0.0000005500000000, -0.0000003600000000, -0.0002955000000000 ] - [ -0.0000004000000000, 0.0000001200000000, 0.0000992300000000 ] - [ 0.0000000700000000, 0.0000001500000000, -0.0001052500000000 ] - [ 0.0000015700000000, -0.0000003400000000, -0.0002540900000000 ] - [ 0.0000012700000000, -0.0000003600000000, 0.0004084600000000 ] - [ 0.0000001400000000, -0.0000003900000000, 0.0002844400000000 ] - [ 0.0000003800000000, -0.0000003600000000, -0.0001171400000000 ] - [ -0.0000002900000000, 0.0000001600000000, 0.0005581000000000 ] - [ 0.0109679200000000, 0.0002038900000000, 0.0000920700000000 ] - [ 0.0000006800000000, 0.0000001400000000, 0.0004082400000000 ] - [ 0.0000000600000000, 0.0000001100000000, -0.0003419500000000 ] - [ -0.0000001500000000, 0.0000001100000000, -0.0001520700000000 ] - [ 0.0000002800000000, -0.0000004000000000, 0.0003535900000000 ] - [ -0.0000004000000000, -0.0000003700000000, 0.0000590300000000 ] - [ 0.0000003800000000, -0.0000003500000000, -0.0002089500000000 ] - [ -0.0000003800000000, 0.0000001400000000, 0.0000507000000000 ] - [ 0.0000002800000000, 0.0000001600000000, 0.0001744800000000 ] - [ -0.0000000800000000, 0.0000001200000000, -0.0001775900000000 ] - [ 0.0000002000000000, 0.0000002600000000, -0.0002501000000000 ] - [ -0.0000004000000000, 0.0000002700000000, 0.0002218900000000 ] - [ 0.0000001200000000, 0.0000002600000000, 0.0000996400000000 ] - [ 0.0000000100000000, 0.0000000900000000, 0.0000691700000000 ] - [ 0.0000000700000000, 0.0000002500000000, -0.0000824700000000 ] - [ 0.0000002200000000, 0.0000001800000000, 0.0002757200000000 ] - [ 0.0000003800000000, 0.0000000800000000, 0.0001960800000000 ] - [ 0.0000004400000000, 0.0000000800000000, 0.0001844400000000 ] - [ -0.0000004300000000, 0.0000001300000000, -0.0000824600000000 ] - [ -0.0000002300000000, 0.0000002500000000, 0.0004635300000000 ] - [ 0.0008988600000000, -0.0000086100000000, 0.0003015800000000 ] - [ -0.0000000900000000, 0.0000000900000000, 0.0003368200000000 ] - [ 0.0000005700000000, -0.0000001100000000, -0.0000464100000000 ] - [ -0.0000026100000000, 0.0000002800000000, 0.0003293100000000 ] - [ 0.0000904700000000, -0.0000004600000000, -0.0000025800000000 ] - [ -0.0000007900000000, 0.0000002000000000, -0.0003127800000000 ] - [ 0.0000904300000000, 0.0000004000000000, 0.0000354900000000 ] - [ 0.0000004800000000, -0.0000000500000000, -0.0005789400000000 ] - [ 0.0000000300000000, 0.0000001700000000, 0.0000005400000000 ] - [ 0.0008219700000000, -0.0000518400000000, 0.0001906200000000 ] - [ -0.0000000600000000, 0.0000001500000000, 0.0001010200000000 ] - [ -0.0000009000000000, 0.0000002600000000, -0.0000545200000000 ] - [ 0.0000016100000000, -0.0000000300000000, -0.0000352000000000 ] - [ 0.0000002400000000, 0.0000000800000000, 0.0001094000000000 ] - [ 0.0000008300000000, -0.0000000500000000, -0.0002288000000000 ] - [ 0.0000010700000000, -0.0000000500000000, -0.0003920800000000 ] - [ 0.0000004100000000, 0.0000000800000000, 0.0004380100000000 ] - [ -0.0000005400000000, 0.0000000900000000, 0.0000344200000000 ] - [ -0.0000000900000000, -0.0000000700000000, -0.0003428600000000 ] - [ -0.0127767200000000, -0.0001478200000000, 0.0001196600000000 ] - [ -0.0000003500000000, 0.0000001800000000, -0.0004828100000000 ] - [ -0.0000001500000000, 0.0000002600000000, 0.0000740500000000 ] - [ 0.0000009500000000, -0.0000000200000000, 0.0000875000000000 ] - [ -0.0000004000000000, 0.0000001800000000, -0.0005490000000000 ] - [ -0.0000000700000000, 0.0000000900000000, -0.0002416700000000 ] - [ 0.0000007100000000, 0.0000000600000000, -0.0004547000000000 ] - [ -0.0000000700000000, 0.0000000800000000, 0.0000306900000000 ] - [ -0.0000001700000000, 0.0000001700000000, -0.0002173300000000 ] - [ -0.0000000900000000, 0.0000002600000000, 0.0002630200000000 ] - [ 0.0000001000000000, 0.0000000800000000, -0.0001408300000000 ] - [ 0.0000013500000000, -0.0000000300000000, 0.0001193700000000 ] - [ 0.0000013900000000, -0.0000000400000000, -0.0001458000000000 ] - [ -0.0000004200000000, 0.0000001700000000, -0.0002645300000000 ] - [ 0.0000001500000000, 0.0000002500000000, -0.0000557800000000 ] - [ 0.0000012100000000, -0.0000000400000000, -0.0002038000000000 ] - [ 0.0000001400000000, 0.0000002500000000, 0.0004805900000000 ] - [ 0.0000000600000000, 0.0000001700000000, -0.0000906300000000 ] - [ 0.0000015300000000, -0.0000000400000000, -0.0001518600000000 ] - [ -0.0000003500000000, 0.0000001700000000, -0.0002486300000000 ] - [ 0.0000001500000000, 0.0000002600000000, 0.0002096600000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007234100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003970400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002280400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000053400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002119500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000957200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001854300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004947500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000991000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003034700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004521400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002099500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000860400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003158900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003602400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0305752200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002101400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005401600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003506500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001551000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001396900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004082900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001475900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000236500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003758900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001492300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003218300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002004400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001696100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000180200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003702700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002966100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002848200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000152800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005635400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019968000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004363400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000534600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004285300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001348200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002152200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001732300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004807400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000988300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0101911200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001990400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000449600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000634700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002098300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001301400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002935400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005392700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001341100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002451700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0423316300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003849300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001745600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001862100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004512000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001411400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003551700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001308200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001194500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003629000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000404400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002176300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000478500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001668900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000447200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001052900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005809800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000073500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000534400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001512300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003100800000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003243400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001619400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002023000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004015200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001852900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003000500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002136300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000971600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002971800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000926100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000564700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006066000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004822400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000811400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007563200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301333200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006058000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001438800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000461000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005512300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002574100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000101400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002485600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003724700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000201900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003552300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001176000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000056800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000358200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001871700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001769000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000905900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000795100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001754600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003588600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013744000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002327300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001418000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002254800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001344400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004055300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000976400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006727900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000932200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099527300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000079200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001591800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001290700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000041300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003228900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004862700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003328700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000698700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004363600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0424354000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005761300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000308700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000065300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006422800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003465400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005483600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000742800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003104800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001590600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002456800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000256800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002391800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003576200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001605000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002976500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003741100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001837200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002460800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003413800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001047300000000 ]- atom: 56 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000003900000000, 0.0000000600000000, -0.0005238800000000 ] - [ 0.0000008100000000, -0.0000003900000000, 0.0002750400000000 ] - [ 0.0000006900000000, -0.0000003900000000, -0.0000127100000000 ] - [ -0.0000002600000000, 0.0000001200000000, 0.0002037300000000 ] - [ -0.0000007900000000, 0.0000001000000000, -0.0000131300000000 ] - [ 0.0000011100000000, -0.0000004300000000, 0.0001024400000000 ] - [ 0.0000005300000000, -0.0000004100000000, 0.0000143200000000 ] - [ 0.0000004700000000, -0.0000004000000000, -0.0002954700000000 ] - [ -0.0000002400000000, 0.0000000800000000, 0.0000992600000000 ] - [ 0.0000003500000000, 0.0000001100000000, -0.0001052200000000 ] - [ 0.0109727900000000, -0.0002042000000000, -0.0004948500000000 ] - [ 0.0000004500000000, -0.0000004100000000, 0.0004084800000000 ] - [ 0.0000009700000000, -0.0000004300000000, 0.0002844700000000 ] - [ 0.0000003600000000, -0.0000003900000000, -0.0001171100000000 ] - [ 0.0000008900000000, 0.0000001200000000, 0.0005581200000000 ] - [ -0.0000006400000000, 0.0000000800000000, 0.0003328600000000 ] - [ -0.0000001000000000, 0.0000001000000000, 0.0004082500000000 ] - [ -0.0000013200000000, 0.0000000700000000, -0.0003419200000000 ] - [ -0.0000296700000000, -0.0000001700000000, -0.0001521500000000 ] - [ 0.0000011800000000, -0.0000004400000000, 0.0003536200000000 ] - [ 0.0000004700000000, -0.0000004100000000, 0.0000590500000000 ] - [ 0.0000014700000000, -0.0000003900000000, -0.0002089200000000 ] - [ -0.0000006000000000, 0.0000001000000000, 0.0000507100000000 ] - [ -0.0000007000000000, 0.0000001100000000, 0.0001744900000000 ] - [ -0.0000750900000000, -0.0000015200000000, -0.0001746000000000 ] - [ -0.0000001300000000, 0.0000001200000000, -0.0002500700000000 ] - [ -0.0000001300000000, 0.0000002200000000, 0.0002219100000000 ] - [ 0.0000000700000000, 0.0000002200000000, 0.0000996700000000 ] - [ -0.0000023500000000, 0.0000000300000000, 0.0000691300000000 ] - [ 0.0008996200000000, 0.0000089200000000, -0.0000692400000000 ] - [ -0.0000001100000000, 0.0000000400000000, 0.0002757300000000 ] - [ -0.0000006400000000, 0.0000000400000000, 0.0001961100000000 ] - [ -0.0000005700000000, 0.0000000400000000, 0.0001844700000000 ] - [ -0.0000001200000000, 0.0000000900000000, -0.0000824400000000 ] - [ -0.0000001800000000, 0.0000002200000000, 0.0004635500000000 ] - [ -0.0000001000000000, 0.0000000400000000, 0.0002884300000000 ] - [ 0.0000000500000000, 0.0000000400000000, 0.0003368400000000 ] - [ 0.0000001300000000, -0.0000001500000000, -0.0000464100000000 ] - [ 0.0000001800000000, 0.0000002200000000, 0.0003294000000000 ] - [ 0.0000006200000000, 0.0000001200000000, -0.0000022500000000 ] - [ 0.0000009900000000, 0.0000001600000000, -0.0003127700000000 ] - [ -0.0000001200000000, 0.0000001200000000, 0.0000347200000000 ] - [ 0.0000908900000000, 0.0000005300000000, -0.0005792300000000 ] - [ -0.0000003400000000, 0.0000001200000000, 0.0000005800000000 ] - [ 0.0000001100000000, 0.0000002200000000, 0.0002138600000000 ] - [ 0.0000001100000000, 0.0000001100000000, 0.0001010400000000 ] - [ 0.0000000800000000, 0.0000002200000000, -0.0000545100000000 ] - [ -0.0000001000000000, -0.0000000800000000, -0.0000351700000000 ] - [ 0.0000000300000000, 0.0000000400000000, 0.0001094200000000 ] - [ 0.0000003600000000, -0.0000000900000000, -0.0002287800000000 ] - [ 0.0000908700000000, -0.0000003300000000, -0.0003912700000000 ] - [ -0.0000000300000000, 0.0000000400000000, 0.0004380300000000 ] - [ 0.0000006400000000, 0.0000001200000000, 0.0000341700000000 ] - [ 0.0000003900000000, -0.0000001100000000, -0.0003428500000000 ] - [ 0.0000001400000000, -0.0000000900000000, -0.0001296900000000 ] - [ -0.0127793100000000, 0.0001445300000000, -0.0002348200000000 ] - [ -0.0000004400000000, 0.0000002200000000, 0.0000740800000000 ] - [ -0.0000002900000000, -0.0000000600000000, 0.0000875300000000 ] - [ 0.0000011300000000, 0.0000001300000000, -0.0005490000000000 ] - [ -0.0000001300000000, 0.0000000400000000, -0.0002416300000000 ] - [ -0.0000004700000000, 0.0000000200000000, -0.0004546700000000 ] - [ 0.0000004100000000, 0.0000000400000000, 0.0000307200000000 ] - [ 0.0000005200000000, 0.0000001300000000, -0.0002173200000000 ] - [ -0.0000001100000000, 0.0000002200000000, 0.0002630600000000 ] - [ 0.0008228900000000, 0.0000521400000000, -0.0001640300000000 ] - [ -0.0000005400000000, -0.0000000700000000, 0.0001194000000000 ] - [ -0.0000000800000000, -0.0000000800000000, -0.0001457800000000 ] - [ 0.0000012000000000, 0.0000001300000000, -0.0002645200000000 ] - [ 0.0000000300000000, 0.0000002200000000, -0.0000557500000000 ] - [ 0.0000002700000000, -0.0000000900000000, -0.0002037900000000 ] - [ 0.0000000200000000, 0.0000002200000000, 0.0004806100000000 ] - [ 0.0000002300000000, 0.0000001200000000, -0.0000906100000000 ] - [ -0.0000002200000000, -0.0000000900000000, -0.0001518300000000 ] - [ 0.0000009200000000, 0.0000001300000000, -0.0002486200000000 ] - [ 0.0000000900000000, 0.0000002200000000, 0.0002096800000000 ]- atom: 56 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007227700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000766200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002110500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000049200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002113300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000957700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001838900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004937500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000999700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003034800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0299901500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002098800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000864900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003154900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003607500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001348500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002100600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005400300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003682500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001555800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001389000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004068700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001478200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000240300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000564800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001565500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003209300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001999500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001674600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016272600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003743900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002942400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002826700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000184000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005624000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003874000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004357200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000530700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004286100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000982900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002127000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001349800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004404600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001001000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003128000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002024200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000438400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000645700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002081300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001290400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002518700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005367300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001336300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002433400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000298300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0427055500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001726100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001868000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004487300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001431200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003530500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001292600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001169300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003623900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0098385300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002187600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000465600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001645900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000436500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001042900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005795200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000098100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000522700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001488700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003090000000000 ]- atom: 56 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003252200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004731600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001854300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004023100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001848800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003004800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002124100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000975500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002982900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000929900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0307236300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006069700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004822000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000811200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007559200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005309800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006064600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001438500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000646300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005513000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002569000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000110900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002492700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003731500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002899800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003436100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001221700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000000100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000292500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017434300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001760300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000969800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000850800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001819500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003635800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001883200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002367500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001446500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002291900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001018000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004117600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000642900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007168600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000977400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001140000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000010200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001543000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001337700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000098500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003280100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005295200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003379800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000671100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004419900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002286100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0420912600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000247900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000105400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006485800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003407500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005544000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000689400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003168100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001627100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0103056300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000211400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002442600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003642200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001555400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003026500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003807700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001900800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002505000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003477100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001096900000000 ]- atom: 57 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000002300000000, 0.0000000200000000, -0.0005237100000000 ] - [ 0.0000011200000000, -0.0000004400000000, 0.0002752000000000 ] - [ 0.0000013500000000, -0.0000004300000000, -0.0000125400000000 ] - [ -0.0000001700000000, 0.0000000800000000, 0.0002038900000000 ] - [ -0.0000003300000000, 0.0000000600000000, -0.0000129500000000 ] - [ 0.0000013400000000, -0.0000004600000000, 0.0001026000000000 ] - [ 0.0000231200000000, -0.0000005500000000, 0.0000145700000000 ] - [ 0.0000012900000000, -0.0000004400000000, -0.0002953100000000 ] - [ -0.0000004400000000, 0.0000000400000000, 0.0000994200000000 ] - [ 0.0107317600000000, -0.0002055800000000, 0.0001352500000000 ] - [ 0.0000005300000000, -0.0000004300000000, -0.0002539000000000 ] - [ 0.0000004900000000, -0.0000004500000000, 0.0004086400000000 ] - [ 0.0000010000000000, -0.0000004700000000, 0.0002846300000000 ] - [ 0.0000012900000000, -0.0000004400000000, -0.0001169600000000 ] - [ 0.0000001000000000, 0.0000000800000000, 0.0005582800000000 ] - [ 0.0000001800000000, 0.0000000300000000, 0.0003330300000000 ] - [ 0.0000000300000000, 0.0000000600000000, 0.0004084100000000 ] - [ 0.0000003300000000, 0.0000000200000000, -0.0003417700000000 ] - [ -0.0000002400000000, 0.0000000300000000, -0.0001518900000000 ] - [ 0.0000008900000000, -0.0000004800000000, 0.0003537800000000 ] - [ 0.0000004200000000, -0.0000004600000000, 0.0000592200000000 ] - [ -0.0001883300000000, 0.0000016300000000, -0.0002097600000000 ] - [ -0.0000002500000000, 0.0000000500000000, 0.0000508900000000 ] - [ 0.0000001200000000, 0.0000000700000000, 0.0001746600000000 ] - [ 0.0000006600000000, 0.0000000500000000, -0.0001774000000000 ] - [ 0.0000010800000000, 0.0000001700000000, -0.0002501300000000 ] - [ 0.0000009600000000, 0.0000001800000000, 0.0002218700000000 ] - [ 0.0000005700000000, 0.0000001800000000, 0.0000996200000000 ] - [ -0.0000714500000000, 0.0000000200000000, 0.0000688700000000 ] - [ 0.0000006400000000, 0.0000001700000000, -0.0000824900000000 ] - [ 0.0000003500000000, 0.0000000000000000, 0.0002757000000000 ] - [ 0.0000000100000000, 0.0000000000000000, 0.0001960600000000 ] - [ 0.0000010900000000, 0.0000000000000000, 0.0001844300000000 ] - [ -0.0000003400000000, 0.0000000500000000, -0.0000824900000000 ] - [ -0.0000003400000000, 0.0000001700000000, 0.0004635300000000 ] - [ 0.0000005800000000, 0.0000000000000000, 0.0002884100000000 ] - [ 0.0000001400000000, 0.0000000000000000, 0.0003368100000000 ] - [ -0.0000004900000000, -0.0000002000000000, -0.0000464400000000 ] - [ 0.0000008200000000, 0.0000001800000000, 0.0003293700000000 ] - [ -0.0000007400000000, 0.0000000900000000, -0.0000023100000000 ] - [ 0.0000000700000000, 0.0000001200000000, -0.0003128100000000 ] - [ -0.0000002500000000, 0.0000000800000000, 0.0000346600000000 ] - [ 0.0000006100000000, -0.0000001400000000, -0.0005789600000000 ] - [ -0.0000002200000000, 0.0000000800000000, 0.0000004900000000 ] - [ 0.0000005700000000, 0.0000001700000000, 0.0002138300000000 ] - [ -0.0000003600000000, 0.0000000700000000, 0.0001009700000000 ] - [ 0.0000003500000000, 0.0000001700000000, -0.0000545400000000 ] - [ 0.0000004900000000, -0.0000001200000000, -0.0000352400000000 ] - [ -0.0000007600000000, 0.0000000000000000, 0.0001093900000000 ] - [ 0.0008225800000000, 0.0000521800000000, -0.0002055900000000 ] - [ -0.0000022100000000, -0.0000001700000000, -0.0003920800000000 ] - [ 0.0000003400000000, 0.0000000000000000, 0.0004380100000000 ] - [ -0.0000714000000000, 0.0000008000000000, 0.0000348600000000 ] - [ 0.0000002600000000, -0.0000001500000000, -0.0003428700000000 ] - [ 0.0000001800000000, -0.0000001300000000, -0.0001297600000000 ] - [ -0.0000003700000000, 0.0000000900000000, -0.0004828300000000 ] - [ -0.0121613600000000, 0.0001648500000000, -0.0001823900000000 ] - [ 0.0000005600000000, -0.0000001000000000, 0.0000874600000000 ] - [ 0.0000001600000000, 0.0000000900000000, -0.0005490200000000 ] - [ -0.0000000500000000, 0.0000000000000000, -0.0002416900000000 ] - [ 0.0000004100000000, -0.0000000200000000, -0.0004547400000000 ] - [ 0.0000005600000000, 0.0000000000000000, 0.0000306600000000 ] - [ 0.0000000400000000, 0.0000000800000000, -0.0002173700000000 ] - [ 0.0000003800000000, 0.0000001800000000, 0.0002629700000000 ] - [ -0.0000007600000000, -0.0000000100000000, -0.0001408700000000 ] - [ 0.0000006900000000, -0.0000001100000000, 0.0001193300000000 ] - [ 0.0000006300000000, -0.0000001200000000, -0.0001458400000000 ] - [ 0.0008974300000000, -0.0000110600000000, -0.0002724700000000 ] - [ 0.0000006700000000, 0.0000001700000000, -0.0000558100000000 ] - [ 0.0000000300000000, -0.0000001300000000, -0.0002038400000000 ] - [ 0.0000002200000000, 0.0000001700000000, 0.0004805800000000 ] - [ -0.0000000500000000, 0.0000000800000000, -0.0000906700000000 ] - [ 0.0000005500000000, -0.0000001300000000, -0.0001519000000000 ] - [ -0.0000000400000000, 0.0000002400000000, -0.0002486700000000 ] - [ 0.0000011300000000, 0.0000001700000000, 0.0002096300000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007256800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000734000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002141200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000016300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002147800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000996500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001972400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004976200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001029400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0303056400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004560000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002065400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000825600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003188400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003572000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001314000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002065400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005431300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003537700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001512500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001429000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001730600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001509600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000269200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003779200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001512800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003204500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001987700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002189800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000169100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003745900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002932700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002834100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000215400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005613500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003876400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004343300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000563700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004279000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001013000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002083300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001390900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004735000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001050100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003125000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002056500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000441800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000692600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002069500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0099374000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002893200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005360200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001836700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002393000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000254200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003798400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0424068500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001916400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004452000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001437600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003484300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001298000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001126700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003623900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000421400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002239500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000416300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013964900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000434100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001001100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005789900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000139400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000472300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001505200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003077600000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003204100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004768700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001889800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004060400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001890300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003049200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002265100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000936100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003017800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0302896500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000517100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006109800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004865500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000849200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007606500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005349200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006103500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001398000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000501500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005554600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002616400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002487300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002528900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003767500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000230100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003567000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001148100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000072300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000900900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001893300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001679700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000902100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000775400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001784700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003571000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001803500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002304000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001419400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002219400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000973300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004084200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000608400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006749400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000951600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001063800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000051300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001629700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001308500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000035300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0102020400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004876600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003308000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001227300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004387400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002256000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005780500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0421819500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000085800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006460400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003474700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005500600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000776000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003139800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001565700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002473200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000231800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002418600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019648900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001629600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002997000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003736300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001865900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002479800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003392000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001033400000000 ]- atom: 58 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000003400000000, 0.0000001300000000, -0.0005239200000000 ] - [ 0.0000013200000000, -0.0000003200000000, 0.0002749900000000 ] - [ -0.0000001600000000, -0.0000003200000000, -0.0000127500000000 ] - [ 0.0000000800000000, -0.0000000200000000, 0.0002033600000000 ] - [ -0.0000001800000000, 0.0000001800000000, -0.0000131500000000 ] - [ 0.0000016600000000, -0.0000003500000000, 0.0001023900000000 ] - [ 0.0000004200000000, -0.0000003500000000, 0.0000142900000000 ] - [ 0.0000011500000000, -0.0000003300000000, -0.0002955100000000 ] - [ 0.0000001500000000, 0.0000001500000000, 0.0000992200000000 ] - [ 0.0000000600000000, 0.0000001800000000, -0.0001052700000000 ] - [ 0.0000008900000000, -0.0000003100000000, -0.0002540900000000 ] - [ -0.0000004200000000, -0.0000003400000000, 0.0004084300000000 ] - [ -0.0000288400000000, -0.0000001000000000, 0.0002843200000000 ] - [ -0.0000001900000000, -0.0000003300000000, -0.0001171600000000 ] - [ 0.0000007700000000, 0.0000001900000000, 0.0005580900000000 ] - [ -0.0000005500000000, 0.0000001500000000, 0.0003328200000000 ] - [ -0.0000003600000000, 0.0000001700000000, 0.0004082000000000 ] - [ 0.0000003100000000, 0.0000001400000000, -0.0003419600000000 ] - [ 0.0000003900000000, 0.0000001400000000, -0.0001520900000000 ] - [ -0.0000744200000000, 0.0000012300000000, 0.0003566000000000 ] - [ 0.0000004400000000, -0.0000003400000000, 0.0000590200000000 ] - [ 0.0000005100000000, -0.0000003200000000, -0.0002089800000000 ] - [ -0.0000000600000000, 0.0000001600000000, 0.0000506900000000 ] - [ 0.0109755500000000, 0.0002040300000000, -0.0000663700000000 ] - [ -0.0000000800000000, 0.0000001500000000, -0.0001776100000000 ] - [ 0.0000001400000000, 0.0000002900000000, -0.0002501400000000 ] - [ -0.0000001300000000, 0.0000002900000000, 0.0002218600000000 ] - [ 0.0000002300000000, 0.0000002900000000, 0.0000996000000000 ] - [ -0.0000000500000000, 0.0000001200000000, 0.0000691400000000 ] - [ -0.0000000600000000, 0.0000002800000000, -0.0000825000000000 ] - [ -0.0000005200000000, 0.0000001200000000, 0.0002756700000000 ] - [ 0.0000000400000000, 0.0000001100000000, 0.0001960500000000 ] - [ 0.0009042200000000, -0.0000086700000000, 0.0001977900000000 ] - [ 0.0000908900000000, 0.0000004000000000, -0.0000816900000000 ] - [ 0.0008224400000000, -0.0000518100000000, 0.0004402800000000 ] - [ 0.0000002700000000, 0.0000001000000000, 0.0002883900000000 ] - [ 0.0000004000000000, 0.0000001100000000, 0.0003367900000000 ] - [ -0.0000008300000000, -0.0000000800000000, -0.0000464200000000 ] - [ 0.0000001800000000, 0.0000002900000000, 0.0003293500000000 ] - [ -0.0000003200000000, 0.0000001900000000, -0.0000022700000000 ] - [ -0.0000011700000000, 0.0000002300000000, -0.0003127900000000 ] - [ -0.0000001500000000, 0.0000001900000000, 0.0000347000000000 ] - [ 0.0000005400000000, -0.0000000200000000, -0.0005789400000000 ] - [ 0.0000000800000000, 0.0000002000000000, 0.0000005400000000 ] - [ 0.0000001500000000, 0.0000002800000000, 0.0002138100000000 ] - [ 0.0000908200000000, -0.0000004400000000, 0.0001007100000000 ] - [ -0.0000026000000000, 0.0000003000000000, -0.0000546300000000 ] - [ 0.0000014100000000, -0.0000000100000000, -0.0000351900000000 ] - [ 0.0000001100000000, 0.0000001100000000, 0.0001093700000000 ] - [ -0.0000000600000000, -0.0000000200000000, -0.0002288100000000 ] - [ 0.0000006300000000, -0.0000000200000000, -0.0003920700000000 ] - [ 0.0000002400000000, 0.0000002100000000, 0.0004379900000000 ] - [ -0.0000000400000000, 0.0000001200000000, 0.0000343900000000 ] - [ -0.0000000900000000, -0.0000000400000000, -0.0003428600000000 ] - [ 0.0000012400000000, -0.0000000100000000, -0.0001297100000000 ] - [ -0.0000005300000000, 0.0000002100000000, -0.0004828100000000 ] - [ 0.0000001600000000, 0.0000002900000000, 0.0000740100000000 ] - [ -0.0127884400000000, -0.0001496800000000, 0.0003382800000000 ] - [ -0.0000006400000000, 0.0000002000000000, -0.0005490100000000 ] - [ 0.0000000900000000, 0.0000001100000000, -0.0002417000000000 ] - [ 0.0000016800000000, 0.0000000900000000, -0.0004547000000000 ] - [ 0.0000004700000000, 0.0000001000000000, 0.0000306500000000 ] - [ -0.0000003400000000, 0.0000002000000000, -0.0002173300000000 ] - [ -0.0000003200000000, 0.0000002900000000, 0.0002629900000000 ] - [ -0.0000005700000000, 0.0000001100000000, -0.0001408700000000 ] - [ 0.0000015700000000, 0.0000000000000000, 0.0001193700000000 ] - [ 0.0000011100000000, -0.0000000100000000, -0.0001457900000000 ] - [ -0.0000007800000000, 0.0000001900000000, -0.0002645400000000 ] - [ 0.0000001300000000, 0.0000002800000000, -0.0000558100000000 ] - [ 0.0000005000000000, -0.0000000200000000, -0.0002038100000000 ] - [ -0.0000003700000000, 0.0000002900000000, 0.0004805600000000 ] - [ -0.0000004100000000, 0.0000001900000000, -0.0000906200000000 ] - [ 0.0000008600000000, -0.0000000200000000, -0.0001518500000000 ] - [ -0.0000004000000000, 0.0000002000000000, -0.0002486300000000 ] - [ 0.0000000900000000, 0.0000002800000000, 0.0002096100000000 ]- atom: 58 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007233000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000765800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002124500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000051300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002118200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000956600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001845600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004940800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000990800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003035500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004533100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002100700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000680500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003162800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003603000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001340700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002100300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005400100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003505100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004765400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001403200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004081600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001476000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0304184900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003761100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001500900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003216800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001997400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001685900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000173300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003746400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002957200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019043000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000572200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0104418400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003881700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004368700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000521900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004291300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000958700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002143500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001333600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004791100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000991200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003139200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002388600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000433800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000635400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002090300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001301900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002918000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005319900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001342600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002450000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000305000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003845900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001738000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0421268400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004502200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001423000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003534800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001300800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001186700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003622400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000419000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002184500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000465000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001661800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000439500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001047000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005799700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000078400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000524400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001500400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003093400000000 ]- atom: 58 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003242000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004726700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001863700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004016800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001849600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002999100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002125600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000980400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002969300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000925600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000553700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006063800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005002100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000813600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007562300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005312500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006058900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001440700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000458300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002384100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002578800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000104300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002484500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0302927100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000202700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003549300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001170500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000054700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000354500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001871000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001714800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000911400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014904800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002154200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0097044700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001834400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002316700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001404200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002246300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000952900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004056600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000587600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006738800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000930000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001086200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000316000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001588000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001288700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000044200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003223200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004874800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003393300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000706000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004359700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002239400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005758800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000307500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0426701900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006427800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003459800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005487000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000743100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003108200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001597200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002447000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000245500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002400700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003577700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001614600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002977600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003766700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001837700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002461400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003420200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001049400000000 ]- atom: 59 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000013700000000, 0.0000000500000000, -0.0005239000000000 ] - [ 0.0000004100000000, -0.0000003900000000, 0.0002750300000000 ] - [ 0.0000008000000000, -0.0000003900000000, -0.0000127200000000 ] - [ -0.0000007400000000, 0.0000001100000000, 0.0002037200000000 ] - [ -0.0000006500000000, 0.0000001100000000, -0.0000131400000000 ] - [ 0.0000004800000000, -0.0000004300000000, 0.0001024200000000 ] - [ 0.0000010800000000, -0.0000004200000000, 0.0000143100000000 ] - [ 0.0000009200000000, -0.0000002000000000, -0.0002958100000000 ] - [ -0.0000006500000000, 0.0000000700000000, 0.0000992400000000 ] - [ -0.0000007900000000, 0.0000001000000000, -0.0001052500000000 ] - [ 0.0000014500000000, -0.0000003800000000, -0.0002540700000000 ] - [ 0.0000009200000000, -0.0000004100000000, 0.0004084700000000 ] - [ 0.0000011900000000, -0.0000004300000000, 0.0002844500000000 ] - [ 0.0109732100000000, -0.0002042200000000, -0.0003579300000000 ] - [ 0.0000002800000000, 0.0000001200000000, 0.0005581100000000 ] - [ -0.0000000800000000, 0.0000000800000000, 0.0003328400000000 ] - [ -0.0000002500000000, 0.0000001000000000, 0.0004082400000000 ] - [ -0.0000297600000000, -0.0000001700000000, -0.0003420200000000 ] - [ -0.0000750900000000, -0.0000015400000000, -0.0001490800000000 ] - [ 0.0000004400000000, -0.0000004400000000, 0.0003536100000000 ] - [ 0.0000007200000000, -0.0000004200000000, 0.0000590400000000 ] - [ 0.0000004800000000, -0.0000003900000000, -0.0002089500000000 ] - [ -0.0000002700000000, 0.0000000900000000, 0.0000507100000000 ] - [ 0.0000008200000000, 0.0000001100000000, 0.0001744900000000 ] - [ 0.0000003600000000, 0.0000000800000000, -0.0001775800000000 ] - [ 0.0008998200000000, 0.0000089200000000, -0.0002368500000000 ] - [ 0.0000000900000000, 0.0000002200000000, 0.0002219300000000 ] - [ 0.0000000800000000, 0.0000002200000000, 0.0000996800000000 ] - [ 0.0000004000000000, 0.0000000400000000, 0.0000692200000000 ] - [ -0.0000004500000000, 0.0000002100000000, -0.0000824200000000 ] - [ -0.0000001200000000, 0.0000000400000000, 0.0002757500000000 ] - [ -0.0000001200000000, 0.0000000400000000, 0.0001961200000000 ] - [ 0.0000001900000000, 0.0000000400000000, 0.0001844800000000 ] - [ -0.0000005100000000, 0.0000000900000000, -0.0000824800000000 ] - [ 0.0000000800000000, 0.0000002200000000, 0.0004635700000000 ] - [ 0.0000000400000000, 0.0000000400000000, 0.0002884500000000 ] - [ -0.0000000400000000, 0.0000000400000000, 0.0003368600000000 ] - [ 0.0000003400000000, -0.0000001500000000, -0.0000464300000000 ] - [ 0.0000000200000000, 0.0000002200000000, 0.0003294200000000 ] - [ -0.0000001200000000, 0.0000001200000000, -0.0000022900000000 ] - [ 0.0000011300000000, 0.0000001600000000, -0.0003128200000000 ] - [ -0.0000003500000000, 0.0000001200000000, 0.0000346900000000 ] - [ 0.0000908800000000, -0.0000003400000000, -0.0005781800000000 ] - [ 0.0000001100000000, 0.0000001200000000, 0.0000005200000000 ] - [ 0.0000001600000000, 0.0000002200000000, 0.0002138800000000 ] - [ -0.0000001100000000, 0.0000001100000000, 0.0001010000000000 ] - [ 0.0000001000000000, 0.0000002200000000, -0.0000544800000000 ] - [ -0.0000005700000000, -0.0000000800000000, -0.0000352100000000 ] - [ -0.0000006500000000, 0.0000000400000000, 0.0001094400000000 ] - [ 0.0000002600000000, -0.0000000900000000, -0.0002288200000000 ] - [ 0.0000003500000000, -0.0000001000000000, -0.0003921000000000 ] - [ -0.0000005800000000, 0.0000000400000000, 0.0004380400000000 ] - [ 0.0000000200000000, 0.0000000400000000, 0.0000344700000000 ] - [ 0.0000909900000000, 0.0000005200000000, -0.0003431900000000 ] - [ -0.0000001100000000, -0.0000000900000000, -0.0001297400000000 ] - [ 0.0000011900000000, 0.0000001300000000, -0.0004828300000000 ] - [ 0.0000000500000000, 0.0000002200000000, 0.0000741000000000 ] - [ -0.0000005300000000, -0.0000000600000000, 0.0000874900000000 ] - [ -0.0127770100000000, 0.0001445600000000, -0.0003000400000000 ] - [ 0.0008230200000000, 0.0000521400000000, -0.0002648500000000 ] - [ -0.0000007600000000, 0.0000000200000000, -0.0004547300000000 ] - [ -0.0000001400000000, 0.0000000400000000, 0.0000307400000000 ] - [ 0.0000002200000000, 0.0000001300000000, -0.0002173600000000 ] - [ 0.0000000100000000, 0.0000002200000000, 0.0002630500000000 ] - [ -0.0000023600000000, 0.0000000200000000, -0.0001408500000000 ] - [ -0.0000003000000000, -0.0000000700000000, 0.0001193600000000 ] - [ -0.0000002400000000, -0.0000000800000000, -0.0001458200000000 ] - [ 0.0000009200000000, 0.0000001200000000, -0.0002645600000000 ] - [ -0.0000001400000000, 0.0000001200000000, -0.0000557300000000 ] - [ -0.0000000900000000, -0.0000000900000000, -0.0002038300000000 ] - [ -0.0000002000000000, 0.0000002200000000, 0.0004806200000000 ] - [ 0.0000006100000000, 0.0000001200000000, -0.0000906600000000 ] - [ 0.0000001200000000, -0.0000000900000000, -0.0001518700000000 ] - [ 0.0000005000000000, 0.0000001300000000, -0.0002486700000000 ] - [ -0.0000001400000000, 0.0000002200000000, 0.0002096900000000 ]- atom: 59 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007229700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000763400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002110400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000049500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002115600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000955300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001838600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004939300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000988400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003035300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004519000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002105200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000866200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301273100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003606800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001347400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002095300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005577400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000309400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001549700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001392400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004071900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001485100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000233100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003756700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014597400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003206200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001987000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001680000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000158500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003744100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002944600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002831900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000170100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005624500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003869900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004353700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000532800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004279200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000982200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002120200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001346300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004383400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001021600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003127800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002023800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000431400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000646300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002072800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001289700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002919800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005356800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001329300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002040000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000297600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003824500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001740400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001874000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0427725600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0097382500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003531200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001286400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001165900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003624100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000428900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002189400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000459300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001644100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000374300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001042400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005793000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000102900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000516100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001479500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003084000000000 ]- atom: 59 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003250000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004735100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001854500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004024000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001853900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003002700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002124200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000973600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002972800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000929600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000562900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006063500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004821200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0305867000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007559700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005311500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006069300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001252500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002640000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005520000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002573000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000107800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002498600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003724800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000204600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019115600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001221900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000002700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000322700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001811900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001757400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000964400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000844100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001803100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003633600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001884600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002368700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001448800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002296500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001013500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004123500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000636000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007164200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000995300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001137300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000014200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001538200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001335000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000104200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003276000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004913000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003387600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000650600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004808700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002283500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005824100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000254900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000108700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0420223600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0104073600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005541000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000682600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003167700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001627300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002392500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000212700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002444900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003636400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001492500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003022600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003807500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001901800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002507900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003481400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001100000000000 ]- atom: 60 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000003600000000, 0.0000000300000000, -0.0005237200000000 ] - [ 0.0000009200000000, -0.0000004300000000, 0.0002751900000000 ] - [ 0.0000006600000000, -0.0000004300000000, -0.0000125500000000 ] - [ -0.0000002800000000, 0.0000000800000000, 0.0002038900000000 ] - [ 0.0000004900000000, 0.0000000700000000, -0.0000129500000000 ] - [ 0.0000010100000000, -0.0000004600000000, 0.0001026000000000 ] - [ 0.0000003600000000, -0.0000004500000000, 0.0000144800000000 ] - [ 0.0000015300000000, -0.0000004500000000, -0.0002953200000000 ] - [ -0.0000003200000000, 0.0000000400000000, 0.0000994200000000 ] - [ -0.0000004800000000, 0.0000000700000000, -0.0001050600000000 ] - [ 0.0000005000000000, -0.0000004300000000, -0.0002539000000000 ] - [ 0.0000008600000000, -0.0000004500000000, 0.0004086400000000 ] - [ 0.0000012100000000, -0.0000004600000000, 0.0002846300000000 ] - [ 0.0107393800000000, 0.0002053100000000, 0.0001234200000000 ] - [ -0.0000002800000000, 0.0000000900000000, 0.0005582800000000 ] - [ 0.0000001400000000, 0.0000000400000000, 0.0003330200000000 ] - [ 0.0000000200000000, 0.0000000600000000, 0.0004084000000000 ] - [ -0.0001899500000000, -0.0000020300000000, -0.0003426600000000 ] - [ 0.0000223200000000, 0.0000001200000000, -0.0001518000000000 ] - [ 0.0000012100000000, -0.0000004800000000, 0.0003537800000000 ] - [ 0.0000008700000000, -0.0000004500000000, 0.0000592200000000 ] - [ 0.0000005600000000, -0.0000004300000000, -0.0002087700000000 ] - [ 0.0000003000000000, 0.0000000500000000, 0.0000508900000000 ] - [ 0.0000003600000000, 0.0000000700000000, 0.0001746600000000 ] - [ 0.0000004600000000, 0.0000000400000000, -0.0001774000000000 ] - [ -0.0000718800000000, -0.0000006000000000, -0.0002496200000000 ] - [ -0.0000001800000000, 0.0000001800000000, 0.0002219100000000 ] - [ 0.0000000300000000, 0.0000001800000000, 0.0000996600000000 ] - [ 0.0000014300000000, 0.0000000000000000, 0.0000692000000000 ] - [ -0.0000010800000000, 0.0000001800000000, -0.0000824400000000 ] - [ 0.0000005100000000, 0.0000000000000000, 0.0002757400000000 ] - [ 0.0000011100000000, 0.0000000000000000, 0.0001961100000000 ] - [ -0.0000000700000000, 0.0000000000000000, 0.0001844700000000 ] - [ 0.0000000700000000, 0.0000000500000000, -0.0000825400000000 ] - [ 0.0000006400000000, 0.0000001800000000, 0.0004635700000000 ] - [ -0.0000000600000000, 0.0000000000000000, 0.0002884500000000 ] - [ 0.0000006400000000, 0.0000000000000000, 0.0003368500000000 ] - [ -0.0000000600000000, -0.0000001900000000, -0.0000464800000000 ] - [ 0.0000007700000000, 0.0000001800000000, 0.0003294100000000 ] - [ 0.0000002900000000, 0.0000000800000000, -0.0000023700000000 ] - [ -0.0000025900000000, 0.0000001600000000, -0.0003128700000000 ] - [ 0.0000001500000000, 0.0000000800000000, 0.0000346100000000 ] - [ 0.0000003200000000, -0.0000002800000000, -0.0005790300000000 ] - [ -0.0000000400000000, 0.0000000800000000, 0.0000004500000000 ] - [ 0.0000000300000000, 0.0000001800000000, 0.0002138700000000 ] - [ 0.0000000900000000, 0.0000000700000000, 0.0001009300000000 ] - [ 0.0000010700000000, 0.0000001800000000, -0.0000544800000000 ] - [ 0.0000000400000000, -0.0000001200000000, -0.0000352800000000 ] - [ 0.0000008600000000, 0.0000000100000000, 0.0001094300000000 ] - [ 0.0000003000000000, -0.0000001300000000, -0.0002288900000000 ] - [ 0.0000004000000000, -0.0000001300000000, -0.0003921600000000 ] - [ 0.0000005500000000, 0.0000000100000000, 0.0004380400000000 ] - [ 0.0000012600000000, 0.0000000100000000, 0.0000344400000000 ] - [ 0.0009021800000000, 0.0000110700000000, -0.0003509300000000 ] - [ 0.0000000200000000, -0.0000001200000000, -0.0001298100000000 ] - [ -0.0000003600000000, 0.0000001000000000, -0.0004828900000000 ] - [ -0.0000003200000000, 0.0000001800000000, 0.0000740600000000 ] - [ 0.0000001600000000, -0.0000001000000000, 0.0000874200000000 ] - [ 0.0008229000000000, -0.0000522300000000, -0.0005258500000000 ] - [ -0.0121703500000000, -0.0001589800000000, -0.0004977900000000 ] - [ 0.0000005100000000, -0.0000000100000000, -0.0004548000000000 ] - [ 0.0000009400000000, 0.0000000100000000, 0.0000307100000000 ] - [ -0.0000002200000000, 0.0000000900000000, -0.0002174200000000 ] - [ -0.0000010800000000, 0.0000001800000000, 0.0002630000000000 ] - [ 0.0000008700000000, 0.0000000000000000, -0.0001408100000000 ] - [ -0.0000003000000000, -0.0000001100000000, 0.0001192900000000 ] - [ 0.0000001100000000, -0.0000001200000000, -0.0001458900000000 ] - [ 0.0000002500000000, 0.0000000900000000, -0.0002646300000000 ] - [ -0.0000720600000000, 0.0000001700000000, -0.0000560400000000 ] - [ -0.0000003800000000, -0.0000001300000000, -0.0002039000000000 ] - [ 0.0000003600000000, 0.0000001800000000, 0.0004806200000000 ] - [ 0.0000001000000000, 0.0000000800000000, -0.0000907200000000 ] - [ 0.0000001400000000, -0.0000001300000000, -0.0001519500000000 ] - [ 0.0000001700000000, 0.0000000900000000, -0.0002487200000000 ] - [ 0.0000002600000000, 0.0000001800000000, 0.0002096800000000 ]- atom: 60 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007262900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000734300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002146100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000024100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002143000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000989500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001877000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004958000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001026600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003071200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004556100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002066500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000829700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302966400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003571700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001313400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002065700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003049200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003637400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001520800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001424500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004105300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001506300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000268700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003794400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000979900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003220200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002012000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001698000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000180100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003763800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002970600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002841200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000201500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005644500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003885700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004387000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000539600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004304800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000996200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002121700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001363000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004838900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001020400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003145100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002030100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000451000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000663200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002105300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001273000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002905400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005392700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001354700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013257400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000280500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003821500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001739800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001888900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0096179500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0427313100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003510800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001316500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001158200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003639100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000391400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002201400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000444300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001632500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000963900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001031200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005816500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000108900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000502600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001469100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003115300000000 ]- atom: 60 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003205900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004773900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001899800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004059200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001890100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003046600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002172300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000944700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003020300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000976100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000516800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006112100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004867700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0303030700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007606000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005355100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006109300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003823600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000606900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005558300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002614800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000064600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002530100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003769900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000252000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004030500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001204300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000031000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000326000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001837100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001733900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000935000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000831400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001829400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003610400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001865300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002331700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001461700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002267200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001033400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004125500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000658600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006741800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000999700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001116700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000001700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001561200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001357600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000068200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003298500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004933300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003348600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000679700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020588800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002306400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005832800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000269400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000129500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0105309500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0418842900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005567900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000718600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003181100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001609100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002432700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000194800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002465800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003654400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002100800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003039600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003780500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001913800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002527100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003497700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001065300000000 ]- atom: 61 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002803300000000, 0.0000002200000000, -0.0005208800000000 ] - [ -0.0000001800000000, -0.0000003600000000, 0.0002750500000000 ] - [ 0.0000003800000000, -0.0000003600000000, -0.0000126900000000 ] - [ -0.0000004000000000, 0.0000001500000000, 0.0002037500000000 ] - [ 0.0000000400000000, 0.0000001400000000, -0.0000131000000000 ] - [ 0.0000004300000000, -0.0000003900000000, 0.0001024500000000 ] - [ 0.0000005200000000, -0.0000003800000000, 0.0000143400000000 ] - [ 0.0000009100000000, -0.0000003700000000, -0.0002954600000000 ] - [ -0.0000000500000000, 0.0000001100000000, 0.0000992700000000 ] - [ -0.0000001300000000, 0.0000001400000000, -0.0001052200000000 ] - [ -0.0000002400000000, -0.0000003600000000, -0.0002540500000000 ] - [ 0.0000013200000000, -0.0000003700000000, 0.0004085000000000 ] - [ -0.0000003900000000, -0.0000004000000000, 0.0002844700000000 ] - [ 0.0000011100000000, -0.0000003600000000, -0.0001171000000000 ] - [ 0.0109634700000000, 0.0002039600000000, 0.0003171100000000 ] - [ 0.0000001400000000, 0.0000001100000000, 0.0003328800000000 ] - [ -0.0000006100000000, 0.0000001300000000, 0.0004082600000000 ] - [ -0.0000002800000000, 0.0000001000000000, -0.0003419100000000 ] - [ 0.0000003200000000, 0.0000001000000000, -0.0001520300000000 ] - [ -0.0000283800000000, -0.0000001600000000, 0.0003535400000000 ] - [ 0.0000016200000000, -0.0000003800000000, 0.0000590700000000 ] - [ 0.0000008900000000, -0.0000003600000000, -0.0002089200000000 ] - [ -0.0000001700000000, 0.0000001300000000, 0.0000507400000000 ] - [ 0.0000005400000000, -0.0000004200000000, 0.0001738700000000 ] - [ 0.0000003600000000, 0.0000001200000000, -0.0001775500000000 ] - [ 0.0000001500000000, 0.0000002200000000, -0.0002504100000000 ] - [ 0.0000000700000000, 0.0000002500000000, 0.0002219500000000 ] - [ 0.0000001500000000, 0.0000002500000000, 0.0000997000000000 ] - [ -0.0000005900000000, 0.0000000800000000, 0.0000692400000000 ] - [ 0.0000001300000000, 0.0000002500000000, -0.0000824100000000 ] - [ 0.0000000200000000, 0.0000000800000000, 0.0002757700000000 ] - [ 0.0000001000000000, 0.0000000700000000, 0.0001961500000000 ] - [ 0.0000005900000000, 0.0000001700000000, 0.0001845100000000 ] - [ 0.0000882900000000, -0.0000005000000000, -0.0000827400000000 ] - [ -0.0000003900000000, 0.0000002500000000, 0.0004636000000000 ] - [ -0.0000005200000000, 0.0000000800000000, 0.0002884800000000 ] - [ 0.0000002500000000, 0.0000000700000000, 0.0003368900000000 ] - [ -0.0000357500000000, -0.0000005800000000, -0.0000455100000000 ] - [ 0.0000001400000000, 0.0000002500000000, 0.0003294400000000 ] - [ -0.0000004200000000, 0.0000001600000000, -0.0000022500000000 ] - [ -0.0000008800000000, 0.0000001800000000, -0.0003127700000000 ] - [ -0.0000003400000000, 0.0000001600000000, 0.0000347200000000 ] - [ -0.0000001000000000, -0.0000000700000000, -0.0005789300000000 ] - [ -0.0000001600000000, 0.0000001500000000, 0.0000005600000000 ] - [ -0.0000001400000000, 0.0000002500000000, 0.0002139000000000 ] - [ 0.0000000600000000, 0.0000001400000000, 0.0001010300000000 ] - [ 0.0008161900000000, -0.0000518300000000, -0.0000780800000000 ] - [ 0.0000012100000000, -0.0000000500000000, -0.0000351700000000 ] - [ -0.0000000600000000, 0.0000000800000000, 0.0001094600000000 ] - [ 0.0000006100000000, -0.0000000600000000, -0.0002287800000000 ] - [ 0.0000005300000000, -0.0000000600000000, -0.0003920500000000 ] - [ 0.0000003800000000, 0.0000000700000000, 0.0004380700000000 ] - [ -0.0000000600000000, 0.0000000800000000, 0.0000344900000000 ] - [ -0.0000008000000000, -0.0000000800000000, -0.0003428300000000 ] - [ 0.0000008500000000, -0.0000000500000000, -0.0001297000000000 ] - [ -0.0000006600000000, 0.0000001600000000, -0.0004827900000000 ] - [ -0.0000000800000000, 0.0000002500000000, 0.0000741100000000 ] - [ 0.0000015400000000, -0.0000000300000000, 0.0000875200000000 ] - [ -0.0000011800000000, 0.0000001600000000, -0.0005489900000000 ] - [ 0.0000004600000000, 0.0000000700000000, -0.0002416000000000 ] - [ -0.0127559400000000, -0.0001468900000000, -0.0002062500000000 ] - [ -0.0000036700000000, 0.0000000800000000, 0.0000306700000000 ] - [ -0.0000004100000000, 0.0000001600000000, -0.0002173100000000 ] - [ 0.0012282800000000, -0.0000058000000000, 0.0002758600000000 ] - [ 0.0000000800000000, 0.0000000600000000, -0.0001407700000000 ] - [ 0.0000014100000000, -0.0000000400000000, 0.0001194000000000 ] - [ 0.0000004800000000, -0.0000000500000000, -0.0001457800000000 ] - [ -0.0000005500000000, 0.0000001600000000, -0.0002645200000000 ] - [ -0.0000003800000000, 0.0000002500000000, -0.0000557100000000 ] - [ -0.0000000700000000, -0.0000000600000000, -0.0002038000000000 ] - [ 0.0000001500000000, 0.0000002500000000, 0.0004806500000000 ] - [ -0.0000003500000000, 0.0000001600000000, -0.0000906100000000 ] - [ 0.0000010800000000, -0.0000000500000000, -0.0001518400000000 ] - [ -0.0000008000000000, 0.0000001600000000, -0.0002486200000000 ] - [ 0.0000002200000000, 0.0000002500000000, 0.0002097100000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0004976300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000727400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002145100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000029600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002140000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000988400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001873300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004957000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001016200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003061600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004555900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002077800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000834700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003181700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0308063400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001322800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002070000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005429000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003527500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001359600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001414500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004106700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001503500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000261800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003784100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001504200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003211100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001992200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001678800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000172800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003747900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002953500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002783500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000566500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005624100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003868300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004360300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000925700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004288200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000991700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002115400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001361000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004783300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001023200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003129900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002026000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0099311300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000672100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002088000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001257600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002896500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005374700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001336700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002417800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000272800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003812600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001735700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001895500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004481700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001420100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0426753600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001351900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001158900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020676200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000415500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002211300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000438500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001636200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000434200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001023200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005797400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000111500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000494700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001475200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003093900000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0005459000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004771100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001888500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004044300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001875600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003035400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002157200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000952100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002999000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000956300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000528000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006089000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004852400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000838000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0299146500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005335100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006094500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001411200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000485100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005717900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002594500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000073600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002516700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003750700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000231500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003513000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001216200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000006600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000303300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001828500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001752500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000955800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000895500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002200200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003638200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001885800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002362300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001831000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002286200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001020000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004133300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000647000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006785700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000992600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001134500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000010700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0102266900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001357800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000088700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003305800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004934700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003372900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000657100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004431900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002305100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005830000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000261700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000130400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006488600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003419800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0421146400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000741200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003172200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014910100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002408600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000192600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002463100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003641900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001550200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003038800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003802800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001906100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002525800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003484300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001090100000000 ]- atom: 62 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001900600000000, -0.0000020800000000, -0.0005246700000000 ] - [ 0.0000008900000000, -0.0000004800000000, 0.0002751500000000 ] - [ 0.0000009700000000, -0.0000004700000000, -0.0000126000000000 ] - [ 0.0000003800000000, 0.0000000300000000, 0.0002038400000000 ] - [ 0.0000003200000000, 0.0000000200000000, -0.0000130100000000 ] - [ 0.0000009400000000, -0.0000005100000000, 0.0001025500000000 ] - [ 0.0000010400000000, -0.0000004900000000, 0.0000144300000000 ] - [ 0.0107386400000000, 0.0002052600000000, -0.0000550000000000 ] - [ 0.0000002000000000, -0.0000000100000000, 0.0000993700000000 ] - [ 0.0000005500000000, 0.0000000200000000, -0.0001051100000000 ] - [ 0.0000005900000000, -0.0000004700000000, -0.0002539600000000 ] - [ 0.0000012200000000, -0.0000004900000000, 0.0004085900000000 ] - [ 0.0000012800000000, -0.0000005100000000, 0.0002845700000000 ] - [ 0.0000011100000000, -0.0000006900000000, -0.0001166800000000 ] - [ 0.0000012900000000, 0.0000000400000000, 0.0005582200000000 ] - [ 0.0000001000000000, -0.0000000100000000, 0.0003329600000000 ] - [ -0.0000002100000000, 0.0000000200000000, 0.0004083600000000 ] - [ 0.0000224200000000, 0.0000000800000000, -0.0003417000000000 ] - [ 0.0000005300000000, -0.0000000200000000, -0.0001519400000000 ] - [ 0.0000006300000000, -0.0000005200000000, 0.0003537200000000 ] - [ 0.0000007500000000, -0.0000005000000000, 0.0000591600000000 ] - [ 0.0000003800000000, -0.0000004800000000, -0.0002088200000000 ] - [ -0.0000003000000000, 0.0000000100000000, 0.0000508200000000 ] - [ -0.0000002900000000, 0.0000000300000000, 0.0001746000000000 ] - [ -0.0000003900000000, 0.0000000000000000, -0.0001774600000000 ] - [ -0.0000010300000000, 0.0000001300000000, -0.0002501200000000 ] - [ 0.0000000800000000, 0.0000001400000000, 0.0002218600000000 ] - [ 0.0000003100000000, 0.0000001300000000, 0.0000996100000000 ] - [ 0.0000013000000000, -0.0000000400000000, 0.0000691400000000 ] - [ -0.0000002700000000, 0.0000001300000000, -0.0000824900000000 ] - [ 0.0000000000000000, -0.0000000400000000, 0.0002756800000000 ] - [ 0.0000005600000000, -0.0000000400000000, 0.0001960400000000 ] - [ -0.0000007300000000, -0.0000000400000000, 0.0001843900000000 ] - [ -0.0000003400000000, 0.0000000100000000, -0.0000825900000000 ] - [ 0.0000011300000000, 0.0000001300000000, 0.0004634900000000 ] - [ 0.0000006900000000, -0.0000000400000000, 0.0002883700000000 ] - [ 0.0000006000000000, -0.0000000400000000, 0.0003367800000000 ] - [ 0.0008999300000000, 0.0000109900000000, -0.0000546200000000 ] - [ 0.0000004200000000, 0.0000001400000000, 0.0003293400000000 ] - [ 0.0000002100000000, 0.0000000400000000, -0.0000024100000000 ] - [ 0.0008242800000000, -0.0000522600000000, -0.0002897100000000 ] - [ 0.0000000200000000, 0.0000000400000000, 0.0000345700000000 ] - [ 0.0000004500000000, -0.0000001800000000, -0.0005791000000000 ] - [ 0.0000001500000000, 0.0000000400000000, 0.0000004200000000 ] - [ 0.0000008200000000, 0.0000001300000000, 0.0002138100000000 ] - [ 0.0000001300000000, 0.0000000300000000, 0.0001008900000000 ] - [ 0.0000013400000000, 0.0000001300000000, -0.0000545500000000 ] - [ -0.0000002700000000, -0.0000001700000000, -0.0000353300000000 ] - [ 0.0000011500000000, -0.0000000400000000, 0.0001093700000000 ] - [ -0.0000003300000000, -0.0000001800000000, -0.0002289500000000 ] - [ 0.0000003600000000, -0.0000001700000000, -0.0003922300000000 ] - [ -0.0000000200000000, -0.0000000400000000, 0.0004379700000000 ] - [ 0.0000009100000000, -0.0000000400000000, 0.0000344000000000 ] - [ 0.0000003800000000, -0.0000003400000000, -0.0003430200000000 ] - [ 0.0000001000000000, -0.0000001700000000, -0.0001298500000000 ] - [ 0.0000003000000000, 0.0000000500000000, -0.0004829600000000 ] - [ 0.0000000800000000, 0.0000001400000000, 0.0000740300000000 ] - [ 0.0000005200000000, -0.0000001400000000, 0.0000873800000000 ] - [ -0.0000003000000000, 0.0000000500000000, -0.0005491600000000 ] - [ 0.0000009300000000, -0.0000000400000000, -0.0002416900000000 ] - [ -0.0000034900000000, -0.0000000800000000, -0.0004548200000000 ] - [ -0.0121747100000000, -0.0001554200000000, -0.0002216200000000 ] - [ 0.0000001600000000, 0.0000000500000000, -0.0002174800000000 ] - [ -0.0000698000000000, 0.0000002000000000, 0.0002626700000000 ] - [ 0.0000014800000000, -0.0000000500000000, -0.0001408500000000 ] - [ 0.0000002100000000, -0.0000001600000000, 0.0001192500000000 ] - [ 0.0000002000000000, -0.0000001700000000, -0.0001459500000000 ] - [ 0.0000002300000000, 0.0000000400000000, -0.0002646900000000 ] - [ -0.0000721300000000, -0.0000006500000000, -0.0000553400000000 ] - [ 0.0000001600000000, -0.0000001700000000, -0.0002039600000000 ] - [ 0.0000006900000000, 0.0000001300000000, 0.0004805600000000 ] - [ 0.0000003400000000, 0.0000000400000000, -0.0000907800000000 ] - [ 0.0000000600000000, -0.0000001700000000, -0.0001519900000000 ] - [ -0.0000001600000000, 0.0000000500000000, -0.0002487800000000 ] - [ -0.0000001400000000, 0.0000001400000000, 0.0002096100000000 ]- atom: 62 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0004884800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000729900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002144000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000019700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002145700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000992200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001872500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301146400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001025800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003064800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004557100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002069800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000828900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003188100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003589100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001311500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002068100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005532300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003540300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001511500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001427600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004110400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001512600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000269500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003796900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001521200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003204200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001993000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001678700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000152000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003736900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002945400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002829400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000205500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005618900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003880700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004360200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016341400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004281200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001016700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0098585300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001387500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004747000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001048800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003127400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002062100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000433400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000681800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002081300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001256000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002880600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005352800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001333800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002453200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000258300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003789000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001733600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001914600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004456300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001422900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003439400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0424752000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001133200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004098700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000424900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002231100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000417700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001602300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000940900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000999200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005794700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000138200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000476900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001446200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003075700000000 ]- atom: 62 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0005626900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004774100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001893700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004059000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001888900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003045400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002163200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0304800500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003015300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000966300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000518700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006105900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004863800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000849900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007587800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005352900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006102200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001293200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000504700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005559800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002615200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000063300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002532400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003767700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000249300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003514100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001197300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000035400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000331900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001833900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001738100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000936900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000824000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001826400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003614000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001847200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002335800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017721100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002267700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001031900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0102966600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000660700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006805500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001006100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001111200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000002300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001565600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001353900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000068400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003292300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004934700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003366400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000681800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004383700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002306000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005839900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000286900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000135200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006497800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003441600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005616600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0421827500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003183700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001118500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002426700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000186300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002469900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003660200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002091100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003048800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003780300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001920000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002531000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003497500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001081500000000 ]- atom: 63 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000005800000000, 0.0000000600000000, -0.0005238400000000 ] - [ 0.0000009700000000, -0.0000004000000000, 0.0002750600000000 ] - [ 0.0000004100000000, -0.0000003900000000, -0.0000126800000000 ] - [ -0.0000003700000000, 0.0000001200000000, 0.0002037600000000 ] - [ -0.0000298800000000, -0.0000001400000000, -0.0000131800000000 ] - [ 0.0109696800000000, -0.0002042100000000, -0.0001383100000000 ] - [ 0.0000002900000000, -0.0000004100000000, 0.0000143600000000 ] - [ 0.0000006800000000, -0.0000004100000000, -0.0002954400000000 ] - [ 0.0000003500000000, 0.0000000800000000, 0.0000992900000000 ] - [ -0.0000014000000000, 0.0000001000000000, -0.0001051900000000 ] - [ 0.0000000800000000, -0.0000003900000000, -0.0002540200000000 ] - [ 0.0000003700000000, -0.0000004100000000, 0.0004085100000000 ] - [ 0.0000006700000000, -0.0000004300000000, 0.0002845000000000 ] - [ 0.0000008200000000, -0.0000004000000000, -0.0001170800000000 ] - [ -0.0000001100000000, 0.0000001200000000, 0.0005581500000000 ] - [ -0.0000008200000000, 0.0000000700000000, 0.0003328900000000 ] - [ -0.0000007000000000, 0.0000001000000000, 0.0004082700000000 ] - [ -0.0000005600000000, 0.0000000700000000, -0.0003418900000000 ] - [ -0.0000010800000000, 0.0000000600000000, -0.0001520100000000 ] - [ 0.0000007700000000, -0.0000004400000000, 0.0003536500000000 ] - [ 0.0000014200000000, -0.0000004100000000, 0.0000591000000000 ] - [ 0.0000003200000000, -0.0000003900000000, -0.0002089000000000 ] - [ -0.0000752900000000, -0.0000015100000000, 0.0000537400000000 ] - [ -0.0000007600000000, 0.0000001100000000, 0.0001745300000000 ] - [ 0.0000003600000000, 0.0000000800000000, -0.0001775200000000 ] - [ -0.0000009800000000, 0.0000002100000000, -0.0002500400000000 ] - [ -0.0000005200000000, 0.0000002200000000, 0.0002219700000000 ] - [ -0.0000002100000000, 0.0000001200000000, 0.0000997100000000 ] - [ 0.0000003400000000, 0.0000000400000000, 0.0000692400000000 ] - [ -0.0000001800000000, 0.0000002200000000, -0.0000824000000000 ] - [ 0.0000003300000000, 0.0000000400000000, 0.0002757900000000 ] - [ -0.0000024300000000, 0.0000000200000000, 0.0001960900000000 ] - [ -0.0000001800000000, 0.0000000400000000, 0.0001845200000000 ] - [ -0.0000002200000000, 0.0000000900000000, -0.0000824300000000 ] - [ 0.0000000300000000, 0.0000002100000000, 0.0004636200000000 ] - [ -0.0000000500000000, 0.0000000400000000, 0.0002885000000000 ] - [ -0.0000007200000000, 0.0000000300000000, 0.0003369200000000 ] - [ -0.0000001400000000, -0.0000001500000000, -0.0000463600000000 ] - [ 0.0000000100000000, 0.0000002200000000, 0.0003294600000000 ] - [ 0.0000008500000000, 0.0000001200000000, -0.0000022400000000 ] - [ 0.0000006000000000, 0.0000001600000000, -0.0003127400000000 ] - [ 0.0000004400000000, 0.0000001200000000, 0.0000347300000000 ] - [ -0.0000001000000000, -0.0000001000000000, -0.0005788900000000 ] - [ 0.0000001500000000, 0.0000001200000000, 0.0000005700000000 ] - [ -0.0000000100000000, 0.0000002100000000, 0.0002139200000000 ] - [ 0.0000005300000000, 0.0000001100000000, 0.0001010400000000 ] - [ 0.0000000900000000, 0.0000002200000000, -0.0000544500000000 ] - [ -0.0000001600000000, -0.0000000800000000, -0.0000351600000000 ] - [ 0.0008223700000000, 0.0000521300000000, 0.0000862400000000 ] - [ 0.0000003100000000, -0.0000000900000000, -0.0002287500000000 ] - [ 0.0000000800000000, -0.0000000900000000, -0.0003920200000000 ] - [ -0.0000001900000000, 0.0000000400000000, 0.0004381000000000 ] - [ -0.0000002100000000, 0.0000000400000000, 0.0000344900000000 ] - [ -0.0000001800000000, -0.0000001100000000, -0.0003428000000000 ] - [ 0.0000002100000000, -0.0000000900000000, -0.0001296900000000 ] - [ 0.0000007300000000, 0.0000001400000000, -0.0004827500000000 ] - [ -0.0000000600000000, 0.0000002200000000, 0.0000741100000000 ] - [ 0.0000000700000000, -0.0000000600000000, 0.0000875400000000 ] - [ 0.0000003500000000, 0.0000001300000000, -0.0005489500000000 ] - [ 0.0000000400000000, 0.0000000400000000, -0.0002416100000000 ] - [ -0.0000001300000000, 0.0000000200000000, -0.0004546600000000 ] - [ 0.0000002500000000, 0.0000000400000000, 0.0000307500000000 ] - [ -0.0127715800000000, 0.0001447700000000, 0.0000278100000000 ] - [ -0.0000003400000000, 0.0000002200000000, 0.0002630700000000 ] - [ 0.0000003200000000, 0.0000000400000000, -0.0001407700000000 ] - [ -0.0000002900000000, -0.0000000700000000, 0.0001194100000000 ] - [ 0.0000908000000000, -0.0000003200000000, -0.0001449700000000 ] - [ 0.0000009000000000, 0.0000001200000000, -0.0002645000000000 ] - [ -0.0000004100000000, 0.0000002100000000, -0.0000557200000000 ] - [ 0.0000908300000000, 0.0000005300000000, -0.0002040800000000 ] - [ -0.0000002100000000, 0.0000002100000000, 0.0004806800000000 ] - [ 0.0000011100000000, 0.0000001200000000, -0.0000905900000000 ] - [ 0.0000002900000000, -0.0000000900000000, -0.0001518200000000 ] - [ 0.0000010300000000, 0.0000001300000000, -0.0002485900000000 ] - [ 0.0008996400000000, 0.0000089200000000, 0.0002229200000000 ]- atom: 63 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007228500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000767900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002110600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000044000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002283300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0303446600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001839600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004938000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000991100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003038900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004528500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002104400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000860800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003152500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003601400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001346400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002098100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005410600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003516700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001553400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001389600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004072000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001732000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000234800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003755900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001499100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003219500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001946900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001699500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000185700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003763600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002955000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002849200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000160200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005639800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003886600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004364700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000517800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004302100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000958100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002143400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001333700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004818600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000992500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003155300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001998800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000462300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000623400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100880200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001310800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002945100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005381800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001346500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002454800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000319000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003844400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001751600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001857200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004504900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001409800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003559600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001312800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0424304300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003630700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000397300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002172200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000075900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001667600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000450400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000669300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005811200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000078300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000538500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001503800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019214300000000 ]- atom: 63 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003251600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004730700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001855100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004029600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002026200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0303647300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002125700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000974300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002975200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000933900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000553600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006064700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004826800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000809700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007565000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005312400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006067900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001427300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000476300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005517000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002570000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000107500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000622500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003726600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000204000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003504400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001217200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000049500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000317900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001834700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001727700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000960300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000831100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001797800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003622900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001874100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002363200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001435100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002279100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000996100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004102700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000629200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006755400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000970600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001127100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000034200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001564600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001317400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100544700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003261400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004892600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003367800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000657500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004397300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002267500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005805000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000271100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000096100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006468000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003428400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005515700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000707200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0423408400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001622400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002422800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000224800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002819800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003619000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001569000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003400800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003794900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001883600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002493700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003468400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014521800000000 ]- atom: 64 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0109262200000000, -0.0002030200000000, -0.0002832000000000 ] - [ 0.0000006600000000, -0.0000004400000000, 0.0002753600000000 ] - [ 0.0000008800000000, -0.0000004300000000, -0.0000123800000000 ] - [ 0.0000003200000000, 0.0000000800000000, 0.0002040600000000 ] - [ -0.0000000500000000, 0.0000000700000000, -0.0000127800000000 ] - [ 0.0000005000000000, -0.0000004700000000, 0.0001027600000000 ] - [ 0.0000012200000000, -0.0000004500000000, 0.0000146600000000 ] - [ 0.0000227900000000, -0.0000005500000000, -0.0002950500000000 ] - [ 0.0000001600000000, 0.0000000300000000, 0.0000995900000000 ] - [ 0.0000001400000000, 0.0000000600000000, -0.0001049000000000 ] - [ 0.0000003700000000, -0.0000004300000000, -0.0002537300000000 ] - [ 0.0000011700000000, -0.0000004500000000, 0.0004088100000000 ] - [ 0.0000004800000000, -0.0000004700000000, 0.0002847900000000 ] - [ 0.0000013200000000, -0.0000004300000000, -0.0001167800000000 ] - [ -0.0002794000000000, -0.0000000500000000, 0.0005554500000000 ] - [ -0.0000000100000000, 0.0000000400000000, 0.0003331900000000 ] - [ 0.0000004100000000, 0.0000000600000000, 0.0004085700000000 ] - [ 0.0000003300000000, 0.0000002300000000, -0.0003412700000000 ] - [ -0.0000002800000000, 0.0000000200000000, -0.0001517200000000 ] - [ 0.0000004900000000, -0.0000004900000000, 0.0003539400000000 ] - [ 0.0000009400000000, -0.0000004500000000, 0.0000593900000000 ] - [ 0.0000013800000000, -0.0000004300000000, -0.0002086000000000 ] - [ -0.0000001100000000, 0.0000000500000000, 0.0000510600000000 ] - [ -0.0000002300000000, 0.0000000700000000, 0.0001748300000000 ] - [ -0.0000005300000000, 0.0000000400000000, -0.0001772400000000 ] - [ 0.0000011200000000, 0.0000001700000000, -0.0002502300000000 ] - [ -0.0000003500000000, 0.0000001800000000, 0.0002217600000000 ] - [ 0.0000008000000000, 0.0000001800000000, 0.0000995000000000 ] - [ 0.0000003600000000, 0.0000000000000000, 0.0000690400000000 ] - [ 0.0000009400000000, 0.0000001700000000, -0.0000826100000000 ] - [ 0.0000010700000000, 0.0000000000000000, 0.0002755800000000 ] - [ 0.0000003400000000, 0.0000000000000000, 0.0001959500000000 ] - [ 0.0000009000000000, 0.0000000100000000, 0.0001843000000000 ] - [ 0.0000011600000000, 0.0000000900000000, -0.0000825900000000 ] - [ -0.0000010600000000, 0.0000001700000000, 0.0004633900000000 ] - [ 0.0000006900000000, 0.0000000000000000, 0.0002882800000000 ] - [ 0.0000009600000000, 0.0000000000000000, 0.0003367000000000 ] - [ 0.0009188600000000, 0.0000509800000000, -0.0000231000000000 ] - [ 0.0000002600000000, 0.0000001800000000, 0.0003292400000000 ] - [ -0.0000002600000000, 0.0000000800000000, -0.0000024600000000 ] - [ 0.0000008000000000, 0.0000002700000000, -0.0003130000000000 ] - [ -0.0000006600000000, 0.0000000900000000, 0.0000345100000000 ] - [ 0.0000005500000000, -0.0000001400000000, -0.0005791400000000 ] - [ -0.0000001500000000, 0.0000000800000000, 0.0000003600000000 ] - [ 0.0000003500000000, 0.0000001800000000, 0.0002137000000000 ] - [ 0.0000001400000000, 0.0000000600000000, 0.0001008200000000 ] - [ -0.0000448600000000, 0.0000006200000000, -0.0000554800000000 ] - [ 0.0000005300000000, -0.0000001200000000, -0.0000353800000000 ] - [ 0.0000001300000000, 0.0000000000000000, 0.0001092600000000 ] - [ 0.0000002500000000, -0.0000001300000000, -0.0002289900000000 ] - [ 0.0000005300000000, -0.0000001300000000, -0.0003922700000000 ] - [ 0.0000013700000000, 0.0000000000000000, 0.0004378800000000 ] - [ 0.0000005800000000, 0.0000000000000000, 0.0000342900000000 ] - [ 0.0000000200000000, -0.0000001500000000, -0.0003430400000000 ] - [ 0.0000003200000000, -0.0000001200000000, -0.0001299100000000 ] - [ -0.0000000400000000, 0.0000000900000000, -0.0004830000000000 ] - [ 0.0000005600000000, 0.0000001800000000, 0.0000739100000000 ] - [ 0.0000000800000000, -0.0000001100000000, 0.0000873200000000 ] - [ 0.0000000700000000, 0.0000000900000000, -0.0005492000000000 ] - [ -0.0000007600000000, 0.0000000000000000, -0.0002417900000000 ] - [ 0.0012287400000000, 0.0000060100000000, -0.0004675800000000 ] - [ -0.0000694800000000, 0.0000008300000000, 0.0000309100000000 ] - [ -0.0000002800000000, 0.0000000900000000, -0.0002175200000000 ] - [ -0.0127248900000000, 0.0001475700000000, 0.0000159400000000 ] - [ -0.0000000100000000, -0.0000000100000000, -0.0001409700000000 ] - [ 0.0000005200000000, -0.0000001100000000, 0.0001191900000000 ] - [ 0.0000006200000000, -0.0000001200000000, -0.0001459900000000 ] - [ -0.0000007700000000, 0.0000000900000000, -0.0002647300000000 ] - [ 0.0000005300000000, 0.0000001700000000, -0.0000559100000000 ] - [ 0.0000004700000000, -0.0000001300000000, -0.0002040100000000 ] - [ -0.0000003800000000, 0.0000001700000000, 0.0004804500000000 ] - [ -0.0000003200000000, 0.0000000900000000, -0.0000908200000000 ] - [ 0.0000005500000000, -0.0000001300000000, -0.0001520400000000 ] - [ -0.0000002400000000, 0.0000000900000000, -0.0002488200000000 ] - [ 0.0000002100000000, 0.0000001800000000, 0.0002095100000000 ]- atom: 64 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0299426800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000737700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002139300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000025900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002143300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000992400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001867600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005086000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001019900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003064200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004557600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002073900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000830000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003185800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005818400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001314800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002069700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005431400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003532800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001523200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001422300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004098200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001507900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000269500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003793300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001479000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003237400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002022900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001721700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000202300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003782500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002982000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002865300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000188400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005652600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003907900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004391000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0101327600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004323600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000974000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002198600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001337000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004795800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001003500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003173000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002010100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000875400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000648200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002109600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001292500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002922200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005398100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001377600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002441200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000300300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003831100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001768500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001866600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004492400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001399100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012999300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001804100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001176500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0423466400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000395500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002202600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000459100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001656500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000473200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001043400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005816800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000091900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000522100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001491600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003120000000000 ]- atom: 64 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0307645400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004773200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001895400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004060100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001893000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003051100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002165200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000810100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003016300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000970800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000513200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006106500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004869700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000854600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005306600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005355400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006107400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001396000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000503800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005563100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002614700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000069700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002534000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003770100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000253400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003513200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001207700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000021800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000330400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001841800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001735900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000944200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000824100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001852500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003622900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001863500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002348300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100412400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002269400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001036800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004077400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000658600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006805200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001008100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001109400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000005400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001971700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001369200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000084400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003303800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004940100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003364500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000682000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004437800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002312300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005844400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000278400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000132600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006507000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003428400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022620900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001186800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003188800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0425238800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002414100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000179900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002477300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003654600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001578700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003053400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003799800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001922900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002534000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003501000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001080800000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000003900000000, 0.0000000100000000, -0.0005237700000000 ] - [ 0.0000006700000000, -0.0000004500000000, 0.0002751400000000 ] - [ 0.0000008400000000, -0.0000004500000000, -0.0000126000000000 ] - [ 0.0000000000000000, 0.0000000600000000, 0.0002038400000000 ] - [ -0.0000004700000000, 0.0000000500000000, -0.0000130100000000 ] - [ 0.0000003900000000, -0.0000004800000000, 0.0001025400000000 ] - [ 0.0000006000000000, -0.0000004700000000, 0.0000144300000000 ] - [ 0.0000006200000000, -0.0000004600000000, -0.0002953700000000 ] - [ 0.0000003400000000, 0.0000000200000000, 0.0000993700000000 ] - [ 0.0000004400000000, 0.0000000500000000, -0.0001051200000000 ] - [ 0.0107369500000000, 0.0002052700000000, -0.0000136000000000 ] - [ 0.0000009500000000, -0.0000004600000000, 0.0004085900000000 ] - [ 0.0000009000000000, -0.0000004800000000, 0.0002845700000000 ] - [ 0.0000014900000000, -0.0000004600000000, -0.0001170100000000 ] - [ 0.0000004300000000, 0.0000000600000000, 0.0005582200000000 ] - [ -0.0000003100000000, 0.0000000200000000, 0.0003329700000000 ] - [ 0.0000001200000000, 0.0000000400000000, 0.0004083500000000 ] - [ -0.0000002900000000, 0.0000000100000000, -0.0003418200000000 ] - [ -0.0001896800000000, -0.0000020500000000, -0.0001528600000000 ] - [ 0.0000012000000000, -0.0000004900000000, 0.0003537300000000 ] - [ 0.0000010000000000, -0.0000004700000000, 0.0000591600000000 ] - [ 0.0000005200000000, -0.0000004500000000, -0.0002088200000000 ] - [ 0.0000005400000000, 0.0000000300000000, 0.0000508400000000 ] - [ -0.0000002500000000, 0.0000000600000000, 0.0001746100000000 ] - [ 0.0000223000000000, 0.0000001200000000, -0.0001773700000000 ] - [ -0.0000719900000000, 0.0000001600000000, -0.0002504500000000 ] - [ 0.0000002600000000, 0.0000001600000000, 0.0002218300000000 ] - [ -0.0000003100000000, 0.0000001600000000, 0.0000995600000000 ] - [ 0.0000008800000000, -0.0000000100000000, 0.0000691000000000 ] - [ -0.0000718600000000, -0.0000006200000000, -0.0000820900000000 ] - [ 0.0000011100000000, -0.0000000100000000, 0.0002756400000000 ] - [ 0.0000008700000000, -0.0000000100000000, 0.0001960200000000 ] - [ 0.0000005600000000, -0.0000000100000000, 0.0001843800000000 ] - [ 0.0000000800000000, 0.0000000300000000, -0.0000825500000000 ] - [ 0.0000003800000000, 0.0000001600000000, 0.0004634700000000 ] - [ 0.0000005200000000, -0.0000000200000000, 0.0002883500000000 ] - [ -0.0000000500000000, -0.0000000200000000, 0.0003367700000000 ] - [ 0.0000005200000000, -0.0000002300000000, -0.0000468700000000 ] - [ 0.0000000400000000, 0.0000001600000000, 0.0003293200000000 ] - [ 0.0000001200000000, 0.0000000600000000, -0.0000023700000000 ] - [ 0.0000002500000000, 0.0000001000000000, -0.0003128800000000 ] - [ 0.0000003000000000, 0.0000000700000000, 0.0000346000000000 ] - [ 0.0009008600000000, 0.0000110400000000, -0.0005869800000000 ] - [ 0.0000001600000000, 0.0000000700000000, 0.0000004400000000 ] - [ -0.0000001700000000, 0.0000001600000000, 0.0002137600000000 ] - [ -0.0000000300000000, 0.0000000500000000, 0.0001009100000000 ] - [ 0.0000006500000000, 0.0000001600000000, -0.0000545800000000 ] - [ 0.0000000200000000, -0.0000001300000000, -0.0000352900000000 ] - [ 0.0000012600000000, -0.0000000100000000, 0.0001093200000000 ] - [ 0.0000004100000000, -0.0000001400000000, -0.0002288900000000 ] - [ 0.0000003300000000, -0.0000003000000000, -0.0003921700000000 ] - [ 0.0000006500000000, -0.0000000100000000, 0.0004379500000000 ] - [ 0.0000014400000000, -0.0000000100000000, 0.0000343500000000 ] - [ -0.0000000200000000, -0.0000001700000000, -0.0003429400000000 ] - [ 0.0000001600000000, -0.0000001400000000, -0.0001298200000000 ] - [ 0.0008227600000000, -0.0000522400000000, -0.0004596600000000 ] - [ -0.0000010700000000, 0.0000001700000000, 0.0000739700000000 ] - [ -0.0000003000000000, -0.0000001200000000, 0.0000874000000000 ] - [ -0.0000025800000000, 0.0000001100000000, -0.0005490800000000 ] - [ 0.0000009500000000, -0.0000000100000000, -0.0002417400000000 ] - [ 0.0000002200000000, -0.0000000400000000, -0.0004548000000000 ] - [ 0.0000013800000000, -0.0000000200000000, 0.0000306100000000 ] - [ 0.0000001800000000, 0.0000000700000000, -0.0002174300000000 ] - [ -0.0000003700000000, 0.0000001600000000, 0.0002629300000000 ] - [ -0.0121678500000000, -0.0001575600000000, -0.0003927600000000 ] - [ 0.0000000600000000, -0.0000001300000000, 0.0001192800000000 ] - [ -0.0000003700000000, -0.0000001400000000, -0.0001458900000000 ] - [ -0.0000003500000000, 0.0000000700000000, -0.0002646300000000 ] - [ -0.0000010700000000, 0.0000001600000000, -0.0000558700000000 ] - [ 0.0000003200000000, -0.0000001400000000, -0.0002039100000000 ] - [ 0.0000007700000000, 0.0000001600000000, 0.0004805300000000 ] - [ -0.0000002100000000, 0.0000000700000000, -0.0000907300000000 ] - [ 0.0000001200000000, -0.0000001400000000, -0.0001519600000000 ] - [ 0.0000002500000000, 0.0000000700000000, -0.0002487300000000 ] - [ 0.0000000400000000, 0.0000001600000000, 0.0002095800000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007258100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000728000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002145400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000016600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002153100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000998400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001874900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004976400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001024000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003072800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301574700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002068000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000823100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003175000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003573500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001307900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002063400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005437200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001153600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001514600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001424500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004107400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001506700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000268100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003893600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001002800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003208300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001966000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001678100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000666700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003738100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002942500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002833900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000221800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005616700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003862100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004341500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000572700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004271300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001022900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002083700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001397600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010890700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001051100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003109800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002055800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000427400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000696700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002073600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001239200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002939900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005369500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001320600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002399200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000251000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0096860700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001713200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001912100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004460100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001426200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003480800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001285300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001124200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003608700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0426253100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002237500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000420200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001606100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000426200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000990900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005789900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000140500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000473400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001441700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003082400000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003209400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004775700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001895200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004062000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001896000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003051700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002166500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000931900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003013600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000973800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0304398000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006107400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004869600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000838800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007602700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005356200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006106900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001393800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001926900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005558200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002611800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000066600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002526700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003766100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000350300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004044200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001186300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000015200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000333700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002355200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001730200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000933000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000811300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001833700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003608200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001859100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002347900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001480400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002270800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001031500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004139700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000664200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022919300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001001600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001121700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000004100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001566700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001362300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000068500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003301300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004873600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003342300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000675400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004433900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002306800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0104639600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000274200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000124900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006489300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003444000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005566800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000712700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003185500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001613600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0419919200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000187100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002460800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003651800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001574700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003050100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003777900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001915300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002527300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003496200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001067800000000 ]- atom: 66 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000001900000000, 0.0000000900000000, -0.0005238600000000 ] - [ -0.0000005000000000, -0.0000003800000000, 0.0002750400000000 ] - [ 0.0000012600000000, -0.0000003700000000, -0.0000126900000000 ] - [ 0.0109716600000000, 0.0002039400000000, -0.0000370400000000 ] - [ -0.0000001500000000, 0.0000001300000000, -0.0000131000000000 ] - [ 0.0000004000000000, -0.0000004000000000, 0.0001024500000000 ] - [ 0.0000015700000000, -0.0000003900000000, 0.0000143400000000 ] - [ -0.0000002000000000, -0.0000003800000000, -0.0002954600000000 ] - [ -0.0000006100000000, 0.0000001000000000, 0.0000992800000000 ] - [ -0.0000002400000000, 0.0000001300000000, -0.0001052100000000 ] - [ 0.0000004400000000, -0.0000003600000000, -0.0002540500000000 ] - [ -0.0000288800000000, -0.0000001400000000, 0.0004083900000000 ] - [ -0.0000743300000000, 0.0000011900000000, 0.0002874900000000 ] - [ 0.0000008600000000, -0.0000003700000000, -0.0001171000000000 ] - [ -0.0000002600000000, 0.0000001400000000, 0.0005581400000000 ] - [ -0.0000003900000000, 0.0000001000000000, 0.0003328800000000 ] - [ -0.0000004800000000, 0.0000001200000000, 0.0004082600000000 ] - [ 0.0000003100000000, 0.0000000900000000, -0.0003419100000000 ] - [ -0.0000001200000000, 0.0000000900000000, -0.0001520300000000 ] - [ 0.0000012300000000, -0.0000004100000000, 0.0003536400000000 ] - [ -0.0000001700000000, -0.0000003900000000, 0.0000590700000000 ] - [ 0.0000003300000000, -0.0000003700000000, -0.0002089200000000 ] - [ 0.0000000600000000, 0.0000001200000000, 0.0000507400000000 ] - [ 0.0000006500000000, 0.0000001300000000, 0.0001745300000000 ] - [ 0.0000000300000000, 0.0000001100000000, -0.0001775500000000 ] - [ -0.0000001300000000, 0.0000002400000000, -0.0002500700000000 ] - [ 0.0000000900000000, 0.0000002400000000, 0.0002219400000000 ] - [ 0.0000000200000000, 0.0000002400000000, 0.0000996700000000 ] - [ -0.0000001100000000, 0.0000000700000000, 0.0000692100000000 ] - [ 0.0000001100000000, 0.0000002300000000, -0.0000824400000000 ] - [ 0.0000002100000000, 0.0000000700000000, 0.0002757600000000 ] - [ -0.0000005700000000, 0.0000000700000000, 0.0001961200000000 ] - [ -0.0000001200000000, 0.0000000700000000, 0.0001844900000000 ] - [ -0.0000000300000000, 0.0000001200000000, -0.0000824200000000 ] - [ -0.0000026600000000, 0.0000002500000000, 0.0004635100000000 ] - [ 0.0000003400000000, 0.0000000600000000, 0.0002884600000000 ] - [ 0.0000001800000000, 0.0000001600000000, 0.0003368800000000 ] - [ -0.0000001800000000, -0.0000001300000000, -0.0000463700000000 ] - [ -0.0000004300000000, 0.0000002500000000, 0.0003294300000000 ] - [ -0.0000002000000000, 0.0000001500000000, -0.0000022400000000 ] - [ -0.0000007000000000, 0.0000001800000000, -0.0003127400000000 ] - [ 0.0000000200000000, 0.0000001500000000, 0.0000347400000000 ] - [ 0.0000005700000000, -0.0000000700000000, -0.0005788900000000 ] - [ 0.0000905500000000, -0.0000004800000000, 0.0000002700000000 ] - [ 0.0000001200000000, 0.0000002400000000, 0.0002138800000000 ] - [ 0.0000906600000000, 0.0000003700000000, 0.0001018300000000 ] - [ 0.0000001100000000, 0.0000002300000000, -0.0000544800000000 ] - [ 0.0000014900000000, -0.0000000500000000, -0.0000351600000000 ] - [ -0.0000000300000000, 0.0000000700000000, 0.0001094400000000 ] - [ 0.0000004400000000, -0.0000000700000000, -0.0002287600000000 ] - [ -0.0000001200000000, -0.0000000700000000, -0.0003920300000000 ] - [ 0.0009018900000000, -0.0000086700000000, 0.0004513300000000 ] - [ 0.0000000600000000, 0.0000000700000000, 0.0000344600000000 ] - [ 0.0000004800000000, -0.0000000800000000, -0.0003428000000000 ] - [ 0.0000013600000000, -0.0000000600000000, -0.0001296900000000 ] - [ -0.0000008400000000, 0.0000001600000000, -0.0004827600000000 ] - [ 0.0000001700000000, 0.0000002400000000, 0.0000740800000000 ] - [ 0.0000015900000000, -0.0000000300000000, 0.0000875400000000 ] - [ -0.0000005900000000, 0.0000001500000000, -0.0005489600000000 ] - [ -0.0000006300000000, 0.0000000700000000, -0.0002416300000000 ] - [ 0.0000013600000000, 0.0000000400000000, -0.0004546600000000 ] - [ 0.0000000200000000, 0.0000000600000000, 0.0000307200000000 ] - [ -0.0000004600000000, 0.0000001500000000, -0.0002172900000000 ] - [ 0.0000000700000000, 0.0000002400000000, 0.0002630400000000 ] - [ -0.0000001100000000, 0.0000000600000000, -0.0001408000000000 ] - [ -0.0127803600000000, -0.0001463600000000, 0.0003657800000000 ] - [ 0.0000008000000000, -0.0000000600000000, -0.0001457600000000 ] - [ -0.0000004400000000, 0.0000001500000000, -0.0002645000000000 ] - [ 0.0000000900000000, 0.0000002300000000, -0.0000557500000000 ] - [ 0.0000010400000000, -0.0000000700000000, -0.0002037700000000 ] - [ 0.0008220300000000, -0.0000518500000000, 0.0004574100000000 ] - [ -0.0000003900000000, 0.0000001500000000, -0.0000905900000000 ] - [ 0.0000011700000000, -0.0000000600000000, -0.0001518200000000 ] - [ -0.0000004000000000, 0.0000001500000000, -0.0002485900000000 ] - [ -0.0000001900000000, 0.0000002400000000, 0.0002096900000000 ]- atom: 66 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007224700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000762200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002112100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0304452100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002116300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000971000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001840500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004953400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000998100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003040400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004535200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001923400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004055700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003165100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003605300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001344800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002095200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005402200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003507500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001544600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001407800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004079500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001477700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000232700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003762400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001540200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003182200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001956400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001653000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000136400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003716500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002912400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002802200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000201400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005588700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003847500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004270700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000552100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004249200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001004600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002097000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001374200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004746000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001422800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003097700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002446700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000407600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000681900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002052900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001256700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002895300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021485800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001304200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002391800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000269000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003803900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001704400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001902000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004467500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001463400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003496700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001260000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001148300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003595200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000449900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0420868200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000423200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001618800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000405500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001003200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0104535500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000118100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000484200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001458900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003057400000000 ]- atom: 66 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003245000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004729400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001850800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0302635000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001848100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003013000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002119900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000969700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002976700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000930700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000553300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006248100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001718000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000816300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007565300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005308600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006064400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001436800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000461100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005511900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002585500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000104900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002486600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003722400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000203000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003547000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001168000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000049600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000358200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001871100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001707700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000919200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000809000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001764400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003598600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001833900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002385600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001394100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002255000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000955700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004058400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000586800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006739900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001319300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001091700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000314700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001594800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001297200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000044600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003225400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004854800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012317700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000703900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004375200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002233600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005757400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000310500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000065900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006418800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003454500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005479800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000741100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003103300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001580500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002452500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0426808400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002399100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003577000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001605300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002977800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0096853000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001832700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002456900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003419200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001049200000000 ]- atom: 67 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000002000000000, 0.0000001500000000, -0.0005239000000000 ] - [ 0.0000001100000000, -0.0000003100000000, 0.0002750100000000 ] - [ 0.0000012900000000, -0.0000003000000000, -0.0000127100000000 ] - [ -0.0000003400000000, 0.0000002000000000, 0.0002037100000000 ] - [ -0.0000004300000000, 0.0000001900000000, -0.0000131400000000 ] - [ -0.0000287300000000, -0.0000000900000000, 0.0001022900000000 ] - [ -0.0000003900000000, -0.0000003300000000, 0.0000143000000000 ] - [ 0.0000016800000000, -0.0000003200000000, -0.0002955000000000 ] - [ 0.0000007500000000, 0.0000001600000000, 0.0000992500000000 ] - [ -0.0000003700000000, 0.0000001900000000, -0.0001052500000000 ] - [ -0.0000001400000000, -0.0000003000000000, -0.0002540800000000 ] - [ 0.0000003100000000, -0.0000003200000000, 0.0004084600000000 ] - [ 0.0000006800000000, -0.0000003400000000, 0.0002844500000000 ] - [ 0.0000004400000000, -0.0000003100000000, -0.0001171400000000 ] - [ 0.0000001400000000, 0.0000002100000000, 0.0005581000000000 ] - [ -0.0000002100000000, 0.0000001600000000, 0.0003328500000000 ] - [ 0.0000003100000000, 0.0000001900000000, 0.0004082300000000 ] - [ -0.0000000500000000, 0.0000001500000000, -0.0003419500000000 ] - [ 0.0000001700000000, 0.0000001500000000, -0.0001520700000000 ] - [ 0.0000002600000000, -0.0000003600000000, 0.0003536000000000 ] - [ -0.0000741900000000, 0.0000012600000000, 0.0000619900000000 ] - [ 0.0000013500000000, -0.0000003100000000, -0.0002089600000000 ] - [ 0.0109677700000000, 0.0002039300000000, -0.0001900500000000 ] - [ -0.0000000400000000, 0.0000002000000000, 0.0001744800000000 ] - [ -0.0000005600000000, 0.0000001600000000, -0.0001775900000000 ] - [ -0.0000001200000000, 0.0000003000000000, -0.0002500900000000 ] - [ -0.0000025800000000, 0.0000003200000000, 0.0002218400000000 ] - [ -0.0000003600000000, 0.0000003000000000, 0.0000996500000000 ] - [ 0.0000002800000000, 0.0000001300000000, 0.0000691900000000 ] - [ 0.0000001600000000, 0.0000003000000000, -0.0000824500000000 ] - [ -0.0000000500000000, 0.0000001300000000, 0.0002757300000000 ] - [ 0.0008995300000000, -0.0000085700000000, 0.0002092800000000 ] - [ 0.0000004900000000, 0.0000001200000000, 0.0001844700000000 ] - [ -0.0000001900000000, 0.0000001800000000, -0.0000824800000000 ] - [ -0.0000003300000000, 0.0000003000000000, 0.0004635600000000 ] - [ 0.0000004600000000, 0.0000001200000000, 0.0002884400000000 ] - [ 0.0000004700000000, 0.0000001200000000, 0.0003368600000000 ] - [ 0.0000004700000000, -0.0000000700000000, -0.0000464100000000 ] - [ -0.0000002000000000, 0.0000003000000000, 0.0003294100000000 ] - [ 0.0000000800000000, 0.0000002100000000, -0.0000023000000000 ] - [ -0.0000003100000000, 0.0000002500000000, -0.0003127900000000 ] - [ -0.0000000200000000, 0.0000002100000000, 0.0000346800000000 ] - [ 0.0000008700000000, -0.0000000100000000, -0.0005789400000000 ] - [ -0.0000003800000000, 0.0000002100000000, 0.0000005100000000 ] - [ 0.0000001900000000, 0.0000003000000000, 0.0002138700000000 ] - [ -0.0000005300000000, 0.0000001900000000, 0.0001009800000000 ] - [ -0.0000003300000000, 0.0000003000000000, -0.0000545000000000 ] - [ 0.0000009700000000, 0.0000000100000000, -0.0000352200000000 ] - [ 0.0000002600000000, 0.0000002200000000, 0.0001094300000000 ] - [ 0.0000014200000000, -0.0000000100000000, -0.0002288000000000 ] - [ 0.0000012500000000, 0.0000000000000000, -0.0003920700000000 ] - [ 0.0000002600000000, 0.0000001300000000, 0.0004380500000000 ] - [ 0.0000004100000000, 0.0000001200000000, 0.0000344400000000 ] - [ 0.0000011100000000, -0.0000000200000000, -0.0003428500000000 ] - [ 0.0000013800000000, 0.0000000000000000, -0.0001297400000000 ] - [ -0.0000003000000000, 0.0000002200000000, -0.0004828100000000 ] - [ 0.0000001900000000, 0.0000003000000000, 0.0000740600000000 ] - [ 0.0000010900000000, 0.0000000200000000, 0.0000874800000000 ] - [ -0.0000003700000000, 0.0000002200000000, -0.0005490000000000 ] - [ 0.0000000500000000, 0.0000001300000000, -0.0002416500000000 ] - [ 0.0000004000000000, 0.0000001000000000, -0.0004547200000000 ] - [ 0.0000001300000000, 0.0000001200000000, 0.0000307000000000 ] - [ 0.0000905100000000, -0.0000004100000000, -0.0002176500000000 ] - [ 0.0000002500000000, 0.0000003000000000, 0.0002630100000000 ] - [ -0.0000005000000000, 0.0000001300000000, -0.0001408300000000 ] - [ 0.0000007000000000, 0.0000000100000000, 0.0001193500000000 ] - [ -0.0127814000000000, -0.0001509300000000, 0.0001034300000000 ] - [ -0.0000001200000000, 0.0000002100000000, -0.0002645500000000 ] - [ 0.0000001000000000, 0.0000002900000000, -0.0000557700000000 ] - [ 0.0000015700000000, 0.0000000000000000, -0.0002038200000000 ] - [ -0.0000008700000000, 0.0000003000000000, 0.0004806200000000 ] - [ 0.0000905300000000, 0.0000004500000000, -0.0000898600000000 ] - [ 0.0000016500000000, 0.0000000000000000, -0.0001518800000000 ] - [ 0.0000001000000000, 0.0000002200000000, -0.0002486400000000 ] - [ 0.0008220300000000, -0.0000517900000000, 0.0001864400000000 ]- atom: 67 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007234000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000768000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002112100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000057100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002114900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001136500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001840000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004935200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000988600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003034000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004536400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002098500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000851900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003163600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003600500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001347600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002100700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005400500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003502100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001555000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001807900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004071800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302931900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000236900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003763600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001492900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003213300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001998600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001699800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000187300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003754900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019061900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002847200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000158800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005636800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003898900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004374100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000522300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004296400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000959100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002149800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001327300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004804900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000982100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003144300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001989700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000459900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000634900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002042600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001309300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002937100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005383300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001353300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002445200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000315800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003855400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001748300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001864000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004514200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001410500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003554100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001312600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000803500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003633900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000408600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002181400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0423552200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001668600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000448800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001055500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005802700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000477700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000533000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001508100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0101873600000000 ]- atom: 67 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003242200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004725300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001854100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004011900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001848900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003180000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002121400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000983000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002967300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000925000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000549300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006067600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004831000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000815600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007564000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005307000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006060200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001439600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000456900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005507600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000540500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000111600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0304157400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003725100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000206400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003547100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001184300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000043900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000357900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001874500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001719300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014679000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000798600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001763000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003589400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001836900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002317200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001409700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002248400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000965500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004061600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000588000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006734500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000925500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001075200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000077600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001599100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001294400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000107300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003225600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004864300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003329700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000707300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004374700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002237800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005759400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000306100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000069600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006424500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003462300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005482800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000744100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003497800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001588600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002447700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000250400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0424259800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003580900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001602400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002983900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003766600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002234500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002463200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003422000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099566300000000 ]- atom: 68 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000012000000000, 0.0000000600000000, -0.0005238900000000 ] - [ 0.0000005900000000, -0.0000003900000000, 0.0002750100000000 ] - [ 0.0000003300000000, -0.0000003900000000, -0.0000127300000000 ] - [ -0.0000002200000000, 0.0000001200000000, 0.0002037100000000 ] - [ 0.0000002700000000, 0.0000001100000000, -0.0000131300000000 ] - [ 0.0000004600000000, -0.0000004200000000, 0.0001024100000000 ] - [ 0.0000013900000000, -0.0000004100000000, 0.0000143100000000 ] - [ 0.0000001400000000, -0.0000004000000000, -0.0002954800000000 ] - [ -0.0000006600000000, 0.0000000800000000, 0.0000992300000000 ] - [ -0.0000751800000000, -0.0000014900000000, -0.0001023300000000 ] - [ 0.0000002300000000, -0.0000003800000000, -0.0002540700000000 ] - [ 0.0000007300000000, -0.0000004100000000, 0.0004084600000000 ] - [ 0.0000003800000000, -0.0000004200000000, 0.0002844500000000 ] - [ 0.0000003200000000, -0.0000004000000000, -0.0001171300000000 ] - [ -0.0000007500000000, 0.0000001200000000, 0.0005581000000000 ] - [ -0.0000003400000000, 0.0000000800000000, 0.0003328500000000 ] - [ -0.0000007700000000, 0.0000001000000000, 0.0004082200000000 ] - [ 0.0000003500000000, 0.0000000700000000, -0.0003419400000000 ] - [ -0.0000013900000000, 0.0000000600000000, -0.0001520600000000 ] - [ 0.0000008600000000, -0.0000004400000000, 0.0003536000000000 ] - [ 0.0000010000000000, -0.0000004200000000, 0.0000590300000000 ] - [ 0.0109704900000000, -0.0002041800000000, -0.0004497100000000 ] - [ -0.0000008700000000, 0.0000000900000000, 0.0000507000000000 ] - [ -0.0000003300000000, 0.0000001200000000, 0.0001744800000000 ] - [ -0.0000297800000000, -0.0000001600000000, -0.0001776900000000 ] - [ -0.0000000800000000, 0.0000002200000000, -0.0002501000000000 ] - [ -0.0000000100000000, 0.0000002200000000, 0.0002219100000000 ] - [ -0.0000005400000000, 0.0000002200000000, 0.0000996600000000 ] - [ 0.0008223500000000, 0.0000521400000000, 0.0000459500000000 ] - [ -0.0000002200000000, 0.0000001200000000, -0.0000824500000000 ] - [ -0.0000007400000000, 0.0000000400000000, 0.0002757300000000 ] - [ -0.0000000700000000, 0.0000000500000000, 0.0001961000000000 ] - [ -0.0000001200000000, 0.0000000400000000, 0.0001844600000000 ] - [ 0.0000000000000000, 0.0000001000000000, -0.0000824700000000 ] - [ -0.0000000700000000, 0.0000002200000000, 0.0004635500000000 ] - [ -0.0000002000000000, 0.0000000400000000, 0.0002884300000000 ] - [ -0.0000002100000000, 0.0000000400000000, 0.0003368400000000 ] - [ -0.0000001500000000, -0.0000001500000000, -0.0000464100000000 ] - [ 0.0000000100000000, 0.0000002300000000, 0.0003294000000000 ] - [ 0.0000001400000000, 0.0000001200000000, -0.0000022800000000 ] - [ 0.0000007100000000, 0.0000001600000000, -0.0003127800000000 ] - [ 0.0000005200000000, 0.0000001200000000, 0.0000346900000000 ] - [ 0.0000002900000000, -0.0000001000000000, -0.0005789400000000 ] - [ -0.0000002100000000, 0.0000001200000000, 0.0000005300000000 ] - [ -0.0000002200000000, 0.0000002200000000, 0.0002138600000000 ] - [ -0.0000004400000000, 0.0000001100000000, 0.0001010100000000 ] - [ -0.0000002900000000, 0.0000002200000000, -0.0000545100000000 ] - [ 0.0000000400000000, -0.0000000800000000, -0.0000352000000000 ] - [ 0.0000005400000000, 0.0000001200000000, 0.0001091300000000 ] - [ 0.0000905900000000, -0.0000003300000000, -0.0002280100000000 ] - [ 0.0000906800000000, 0.0000005300000000, -0.0003923800000000 ] - [ -0.0000000500000000, 0.0000000400000000, 0.0004380400000000 ] - [ -0.0000024400000000, 0.0000000300000000, 0.0000343700000000 ] - [ 0.0000000600000000, -0.0000001100000000, -0.0003428500000000 ] - [ -0.0000003200000000, -0.0000000800000000, -0.0001297200000000 ] - [ 0.0000010300000000, 0.0000001400000000, -0.0004828100000000 ] - [ 0.0008973700000000, 0.0000089000000000, 0.0000872100000000 ] - [ -0.0000006400000000, -0.0000000600000000, 0.0000875000000000 ] - [ 0.0000008900000000, 0.0000001300000000, -0.0005490100000000 ] - [ 0.0000003200000000, 0.0000000500000000, -0.0002416600000000 ] - [ -0.0000003400000000, 0.0000000200000000, -0.0004547000000000 ] - [ 0.0000002900000000, 0.0000000400000000, 0.0000307000000000 ] - [ 0.0000008200000000, 0.0000001300000000, -0.0002173300000000 ] - [ -0.0000009900000000, 0.0000002100000000, 0.0002630100000000 ] - [ -0.0000002300000000, 0.0000000400000000, -0.0001408300000000 ] - [ -0.0000001900000000, -0.0000000700000000, 0.0001193700000000 ] - [ 0.0000001800000000, -0.0000000800000000, -0.0001458000000000 ] - [ -0.0127655600000000, 0.0001444600000000, -0.0000151900000000 ] - [ -0.0000002000000000, 0.0000002200000000, -0.0000557700000000 ] - [ 0.0000002700000000, -0.0000000900000000, -0.0002038100000000 ] - [ 0.0000000700000000, 0.0000002200000000, 0.0004806100000000 ] - [ 0.0000004200000000, 0.0000001200000000, -0.0000906400000000 ] - [ -0.0000001700000000, -0.0000000800000000, -0.0001518600000000 ] - [ 0.0000010900000000, 0.0000001300000000, -0.0002486300000000 ] - [ -0.0000000300000000, 0.0000002200000000, 0.0002096700000000 ]- atom: 68 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007239400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000763000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002111700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000050400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002120300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000960700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001839900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004949300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000997200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000157800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004528100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002099200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000854000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003155800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003600500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001333800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002097400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005401600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003506800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001549200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001393600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0300329500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001477100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000243800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003936100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001523200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003188700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001957500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100446000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000090900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003715600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002924300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002813900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000208500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005600900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003847600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004335000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000544100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004259900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001004600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002102700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001376700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004777400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001030500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003104500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002029000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000414200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000671400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002060400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000862100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002516900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005344900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001303300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002416000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000278600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003806900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017762200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001890800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004475200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001443500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003512200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001278000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001151400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003596800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000439900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002212600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000439300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0424650800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000416100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001015300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005776600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000121700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000502400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001462700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003075400000000 ]- atom: 68 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003236000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004731900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001851900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004019600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001853900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003005300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002123800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000968800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002978400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002178400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000557700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006067400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004829800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000809400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007567100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005321100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006063700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001438300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000462300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005514200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002571700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0306781300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002487100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003732300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000385900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003497400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001220100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000008400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100939600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001759400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001767100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000965400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000844500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001822500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003637400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001887600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002367900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001441600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002296100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001016500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004121800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000646400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006779700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000983700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001141100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000028500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001538900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001339500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000079300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003660100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005297300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003380300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000639800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004417200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002282500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005823000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015819900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000106000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006479100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003412600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005540100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000692500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003163000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001635800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002398200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000209400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002445700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0422940100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001553800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003029500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003804600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001900200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002502000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003481600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001101200000000 ]- atom: 69 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000006300000000, 0.0000000000000000, -0.0005237100000000 ] - [ 0.0000008700000000, -0.0000004600000000, 0.0002752300000000 ] - [ 0.0000009700000000, -0.0000004600000000, -0.0000125200000000 ] - [ 0.0000003500000000, 0.0000000500000000, 0.0002039300000000 ] - [ 0.0000001400000000, 0.0000000300000000, -0.0000129300000000 ] - [ 0.0000012100000000, -0.0000004900000000, 0.0001026400000000 ] - [ 0.0000014100000000, -0.0000004800000000, 0.0000145200000000 ] - [ -0.0001893600000000, 0.0000015900000000, -0.0002961700000000 ] - [ -0.0000000800000000, 0.0000000100000000, 0.0000994500000000 ] - [ -0.0000004800000000, 0.0000000400000000, -0.0001050400000000 ] - [ 0.0000013000000000, -0.0000004500000000, -0.0002538700000000 ] - [ 0.0000006100000000, -0.0000004800000000, 0.0004086700000000 ] - [ 0.0000012700000000, -0.0000004900000000, 0.0002846500000000 ] - [ 0.0000232000000000, -0.0000005600000000, -0.0001168300000000 ] - [ -0.0000001600000000, 0.0000000500000000, 0.0005583100000000 ] - [ 0.0000001700000000, 0.0000000100000000, 0.0003330500000000 ] - [ 0.0000000600000000, 0.0000000300000000, 0.0004084400000000 ] - [ 0.0107369900000000, -0.0002057200000000, -0.0001013800000000 ] - [ -0.0000002500000000, -0.0000000100000000, -0.0001518500000000 ] - [ 0.0000005500000000, -0.0000005100000000, 0.0003538000000000 ] - [ 0.0000005400000000, -0.0000004800000000, 0.0000592500000000 ] - [ 0.0000004100000000, -0.0000004700000000, -0.0002087400000000 ] - [ 0.0000000500000000, 0.0000000200000000, 0.0000509100000000 ] - [ 0.0000004000000000, 0.0000000400000000, 0.0001746800000000 ] - [ -0.0000002200000000, 0.0000000100000000, -0.0001773800000000 ] - [ 0.0000005900000000, 0.0000001500000000, -0.0002500500000000 ] - [ 0.0000002300000000, 0.0000001500000000, 0.0002219200000000 ] - [ 0.0000005900000000, 0.0000001500000000, 0.0000996800000000 ] - [ 0.0000000300000000, -0.0000000300000000, 0.0000692200000000 ] - [ 0.0000011600000000, 0.0000001400000000, -0.0000824100000000 ] - [ 0.0000003700000000, -0.0000000300000000, 0.0002757500000000 ] - [ 0.0000001600000000, -0.0000000300000000, 0.0001961100000000 ] - [ 0.0000014200000000, -0.0000000300000000, 0.0001844700000000 ] - [ 0.0000000900000000, 0.0000000200000000, -0.0000825000000000 ] - [ -0.0000003400000000, 0.0000001400000000, 0.0004635700000000 ] - [ 0.0000011100000000, -0.0000000300000000, 0.0002884400000000 ] - [ 0.0000007100000000, -0.0000000300000000, 0.0003368500000000 ] - [ -0.0000021600000000, -0.0000002500000000, -0.0000464600000000 ] - [ 0.0000003700000000, 0.0000001500000000, 0.0003294100000000 ] - [ -0.0000003200000000, 0.0000000500000000, -0.0000023100000000 ] - [ 0.0009038400000000, -0.0000111700000000, -0.0003209400000000 ] - [ -0.0000003000000000, 0.0000000500000000, 0.0000346700000000 ] - [ 0.0000000500000000, -0.0000001700000000, -0.0005790100000000 ] - [ -0.0000006600000000, 0.0000000600000000, 0.0000005100000000 ] - [ -0.0000003200000000, 0.0000001400000000, 0.0002138800000000 ] - [ -0.0000002000000000, 0.0000000400000000, 0.0001009900000000 ] - [ -0.0000010500000000, 0.0000001400000000, -0.0000544900000000 ] - [ 0.0000003800000000, -0.0000001500000000, -0.0000352400000000 ] - [ 0.0000006000000000, -0.0000000300000000, 0.0001094400000000 ] - [ 0.0000005700000000, -0.0000001600000000, -0.0002288600000000 ] - [ 0.0000006500000000, -0.0000001600000000, -0.0003921400000000 ] - [ 0.0000009800000000, -0.0000000200000000, 0.0004380400000000 ] - [ 0.0000003800000000, -0.0000000300000000, 0.0000344700000000 ] - [ 0.0008235200000000, 0.0000521400000000, -0.0003197000000000 ] - [ 0.0000005700000000, -0.0000001500000000, -0.0001297600000000 ] - [ 0.0000000700000000, 0.0000000600000000, -0.0004828700000000 ] - [ 0.0000009800000000, 0.0000001500000000, 0.0000740900000000 ] - [ 0.0000005200000000, -0.0000001300000000, 0.0000874700000000 ] - [ 0.0000000100000000, 0.0000002100000000, -0.0005490800000000 ] - [ -0.0000716600000000, 0.0000007700000000, -0.0002411600000000 ] - [ 0.0000000800000000, -0.0000000500000000, -0.0004547500000000 ] - [ -0.0000719100000000, -0.0000000100000000, 0.0000304700000000 ] - [ -0.0000002300000000, 0.0000000600000000, -0.0002173900000000 ] - [ 0.0000006200000000, 0.0000001500000000, 0.0002630600000000 ] - [ -0.0000007300000000, -0.0000000300000000, -0.0001407700000000 ] - [ 0.0000005200000000, -0.0000001400000000, 0.0001193500000000 ] - [ 0.0000005200000000, -0.0000001500000000, -0.0001458600000000 ] - [ -0.0000000200000000, 0.0000000500000000, -0.0002646000000000 ] - [ -0.0121735000000000, 0.0001670800000000, -0.0003137900000000 ] - [ 0.0000002000000000, -0.0000001600000000, -0.0002038700000000 ] - [ 0.0000002800000000, 0.0000001500000000, 0.0004806200000000 ] - [ -0.0000001900000000, 0.0000000500000000, -0.0000906800000000 ] - [ 0.0000007000000000, -0.0000001600000000, -0.0001519000000000 ] - [ -0.0000007200000000, 0.0000000700000000, -0.0002486900000000 ] - [ 0.0000008300000000, 0.0000001500000000, 0.0002096900000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007245900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000733900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002142100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000024000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002143400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000987300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001867100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002581600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001024400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003070300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004556900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002073300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000831200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003287400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003570200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001316500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002066700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0300706100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003534400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001519500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001426900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004107300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001505900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000265100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003789400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001480100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003230500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002012700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001693200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000186600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003766600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002964000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002853000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000191400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005634200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003897700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004380500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000537100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004316600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000994200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013605300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001362600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004783500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001014200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003144100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002025700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000452700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000662900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002114900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001271300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002908600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005390600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001362500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0098248800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000282800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003811600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001755100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001901600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004538700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000892800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003518400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001829400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001159200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003650800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000401900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002211700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000443900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001630100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0425616900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001023700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005824600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000110000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000500000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001479600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003111300000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003220500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004775500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001897300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004060900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001891600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003046100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002163800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003365300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003019600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000976700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000514300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006106800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004867400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000957100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007607100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005353400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006109800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0305263800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000503900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005561100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002618300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000061400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002531200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003767800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000248800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003523600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001197200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000028500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000318600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001840900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001734700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000944600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000823300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001831300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003623900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001856600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002341600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001455600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002259000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001031400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020332300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000657700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006795400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000993100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001120900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000005900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001557800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001357600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000061700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003299300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004929800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003354600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000683900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0103257000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002303600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005839600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000282300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000130800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006440800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003948400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005561400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001238100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003179800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001598100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002422600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000184700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002466100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003655700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0420745400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003046400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003775800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001914000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002529600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003486900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001072500000000 ]- atom: 70 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000001800000000, 0.0000000900000000, -0.0005238900000000 ] - [ 0.0000002100000000, -0.0000003700000000, 0.0002750400000000 ] - [ 0.0000000500000000, -0.0000003700000000, -0.0000127100000000 ] - [ -0.0000001400000000, 0.0000001500000000, 0.0002037300000000 ] - [ 0.0109693000000000, 0.0002039000000000, -0.0002538800000000 ] - [ -0.0000742700000000, 0.0000011900000000, 0.0001054300000000 ] - [ -0.0000288200000000, -0.0000001400000000, 0.0000142100000000 ] - [ 0.0000004100000000, -0.0000003800000000, -0.0002954800000000 ] - [ -0.0000002800000000, 0.0000001000000000, 0.0000992600000000 ] - [ -0.0000005000000000, 0.0000001300000000, -0.0001052300000000 ] - [ 0.0000012600000000, -0.0000003600000000, -0.0002540600000000 ] - [ 0.0000005700000000, -0.0000003800000000, 0.0004084800000000 ] - [ 0.0000002000000000, -0.0000004000000000, 0.0002844600000000 ] - [ -0.0000001800000000, -0.0000003700000000, -0.0001171200000000 ] - [ -0.0000003200000000, 0.0000001400000000, 0.0005581200000000 ] - [ 0.0000002700000000, 0.0000001100000000, 0.0003328600000000 ] - [ -0.0000003800000000, 0.0000001300000000, 0.0004082500000000 ] - [ 0.0000000600000000, 0.0000001000000000, -0.0003419200000000 ] - [ -0.0000006100000000, 0.0000000900000000, -0.0001520500000000 ] - [ 0.0000007600000000, -0.0000004100000000, 0.0003536100000000 ] - [ 0.0000012400000000, -0.0000003800000000, 0.0000590600000000 ] - [ -0.0000004900000000, -0.0000003700000000, -0.0002089400000000 ] - [ 0.0000006500000000, 0.0000001100000000, 0.0000507300000000 ] - [ 0.0000000100000000, 0.0000001400000000, 0.0001745000000000 ] - [ -0.0000004100000000, 0.0000001100000000, -0.0001775700000000 ] - [ 0.0000000800000000, 0.0000002400000000, -0.0002500600000000 ] - [ 0.0000001100000000, 0.0000002400000000, 0.0002219300000000 ] - [ 0.0008222300000000, -0.0000518500000000, 0.0000764500000000 ] - [ 0.0000003400000000, 0.0000000600000000, 0.0000692100000000 ] - [ 0.0000001200000000, 0.0000002400000000, -0.0000824200000000 ] - [ 0.0000003800000000, 0.0000000600000000, 0.0002757500000000 ] - [ -0.0000001200000000, 0.0000000700000000, 0.0001961200000000 ] - [ 0.0000004900000000, 0.0000000600000000, 0.0001844800000000 ] - [ -0.0000005000000000, 0.0000001200000000, -0.0000824600000000 ] - [ -0.0000004000000000, 0.0000002400000000, 0.0004635700000000 ] - [ 0.0000004000000000, 0.0000000600000000, 0.0002884500000000 ] - [ 0.0000001900000000, 0.0000000700000000, 0.0003368600000000 ] - [ 0.0000010100000000, -0.0000001300000000, -0.0000464200000000 ] - [ -0.0000009400000000, 0.0000002500000000, 0.0003294300000000 ] - [ -0.0000000900000000, 0.0000001500000000, -0.0000022700000000 ] - [ -0.0000004500000000, 0.0000001800000000, -0.0003127900000000 ] - [ -0.0000004500000000, 0.0000001500000000, 0.0000347000000000 ] - [ 0.0000011800000000, -0.0000000700000000, -0.0005789400000000 ] - [ -0.0000006000000000, 0.0000001500000000, 0.0000005400000000 ] - [ -0.0000002700000000, 0.0000002400000000, 0.0002138700000000 ] - [ -0.0000002400000000, 0.0000001400000000, 0.0001010200000000 ] - [ -0.0000002500000000, 0.0000002400000000, -0.0000544800000000 ] - [ 0.0000006200000000, -0.0000000600000000, -0.0000352000000000 ] - [ 0.0009011900000000, -0.0000086500000000, 0.0001226800000000 ] - [ 0.0000014900000000, -0.0000000600000000, -0.0002288100000000 ] - [ 0.0000013500000000, -0.0000000700000000, -0.0003920800000000 ] - [ 0.0000004200000000, 0.0000000700000000, 0.0004380400000000 ] - [ 0.0000001900000000, 0.0000001700000000, 0.0000344800000000 ] - [ 0.0000007900000000, -0.0000000800000000, -0.0003428700000000 ] - [ 0.0000009100000000, -0.0000000600000000, -0.0001297300000000 ] - [ -0.0000001900000000, 0.0000001600000000, -0.0004828200000000 ] - [ -0.0000004400000000, 0.0000002500000000, 0.0000740900000000 ] - [ 0.0000002800000000, -0.0000000400000000, 0.0000875000000000 ] - [ -0.0000003700000000, 0.0000001600000000, -0.0005490200000000 ] - [ -0.0000005800000000, 0.0000000800000000, -0.0002416200000000 ] - [ 0.0000001200000000, 0.0000000400000000, -0.0004547000000000 ] - [ -0.0000000300000000, 0.0000000700000000, 0.0000307400000000 ] - [ 0.0000906000000000, 0.0000003900000000, -0.0002165500000000 ] - [ 0.0000000200000000, 0.0000002400000000, 0.0002630600000000 ] - [ 0.0000002200000000, 0.0000000600000000, -0.0001407800000000 ] - [ 0.0000010200000000, -0.0000000500000000, 0.0001193700000000 ] - [ 0.0000015700000000, -0.0000000500000000, -0.0001458100000000 ] - [ 0.0000000400000000, 0.0000001500000000, -0.0002645400000000 ] - [ -0.0000001800000000, 0.0000002400000000, -0.0000557400000000 ] - [ -0.0127783600000000, -0.0001465500000000, 0.0000440800000000 ] - [ -0.0000004100000000, 0.0000002400000000, 0.0004806300000000 ] - [ 0.0000000000000000, 0.0000001500000000, -0.0000906400000000 ] - [ 0.0000013000000000, -0.0000000600000000, -0.0001518600000000 ] - [ 0.0000904500000000, -0.0000004700000000, -0.0002489500000000 ] - [ -0.0000026600000000, 0.0000002600000000, 0.0002096200000000 ]- atom: 70 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007226700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000760300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002114000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000049900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302279400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002233700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002021400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004952900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000993100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003039300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004525500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002090000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000859000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003170800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003600300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001343700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002098900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005401700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003510600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001546400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001394900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004076200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001473800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000239000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003761300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001531800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003181500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100735700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001660900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000140900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003728900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002915400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002812400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000196800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005597500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003847700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004328400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000562400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004246900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001001800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002102300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001369900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004760800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001030900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003096500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002038900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000407700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000682100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018187000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001259500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002899200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005338500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001251400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002398600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000265400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003805500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001701800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001902300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004471900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001459200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003500700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001264900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000740000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003597000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000441800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002226800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000430500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001624500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000406700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0424103500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005765500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000122800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000491100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001074400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003052400000000 ]- atom: 70 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003244300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004732500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001850700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004016300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0304796000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000102000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002304800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000969800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002970800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000929800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000561900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006074400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004821800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000821400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007568400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005308900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006059200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001438000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000463800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005510300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002572300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000109600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002482600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003727000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000201600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003544900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001162700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100664600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000353300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001863800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001715700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000929800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000802300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001763200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003592100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001839300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002325300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001413600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002258800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000961700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004061400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000585800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006734600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000930200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001099900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000072200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001589900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001296000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015579300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003238400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004862500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003335400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000632700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004377700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002243800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005766100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000292900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000068400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006424000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003449700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005481200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000738100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003506400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001596800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002450100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000247300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002406800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003585000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001598200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0423583200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003766700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001850400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002461000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003816100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001069100000000 ]- atom: 71 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000003400000000, 0.0000000500000000, -0.0005237300000000 ] - [ 0.0000005000000000, -0.0000004100000000, 0.0002751700000000 ] - [ 0.0000012300000000, -0.0000004100000000, -0.0000125700000000 ] - [ 0.0107289900000000, -0.0002055200000000, 0.0004441500000000 ] - [ -0.0000000200000000, 0.0000000900000000, -0.0000129700000000 ] - [ 0.0000008100000000, -0.0000004400000000, 0.0001025700000000 ] - [ 0.0000010700000000, -0.0000004300000000, 0.0000144700000000 ] - [ 0.0000002000000000, -0.0000004200000000, -0.0002953300000000 ] - [ 0.0000003300000000, 0.0000000600000000, 0.0000994000000000 ] - [ 0.0000000400000000, 0.0000000900000000, -0.0001050800000000 ] - [ 0.0000007600000000, -0.0000004000000000, -0.0002539200000000 ] - [ -0.0001889800000000, 0.0000016300000000, 0.0004077100000000 ] - [ 0.0000231700000000, -0.0000005400000000, 0.0002847000000000 ] - [ 0.0000009900000000, -0.0000004100000000, -0.0001169800000000 ] - [ -0.0000002200000000, 0.0000001000000000, 0.0005582500000000 ] - [ -0.0000002700000000, 0.0000000600000000, 0.0003330000000000 ] - [ 0.0000006200000000, 0.0000000900000000, 0.0004083800000000 ] - [ 0.0000004500000000, 0.0000000500000000, -0.0003417800000000 ] - [ 0.0000002800000000, 0.0000000400000000, -0.0001519100000000 ] - [ 0.0000012900000000, -0.0000004600000000, 0.0003537600000000 ] - [ 0.0000012300000000, -0.0000004300000000, 0.0000592000000000 ] - [ 0.0000007000000000, -0.0000004100000000, -0.0002088000000000 ] - [ -0.0000002000000000, 0.0000000700000000, 0.0000508700000000 ] - [ 0.0000002000000000, 0.0000003000000000, 0.0001749600000000 ] - [ -0.0000003200000000, 0.0000000700000000, -0.0001774200000000 ] - [ 0.0000002400000000, 0.0000002000000000, -0.0002501600000000 ] - [ 0.0000006400000000, 0.0000002000000000, 0.0002218300000000 ] - [ 0.0000007500000000, 0.0000002000000000, 0.0000995700000000 ] - [ 0.0000004800000000, 0.0000000200000000, 0.0000691100000000 ] - [ -0.0000002100000000, 0.0000002000000000, -0.0000825400000000 ] - [ -0.0000000800000000, 0.0000000300000000, 0.0002756400000000 ] - [ 0.0000005400000000, 0.0000000200000000, 0.0001960200000000 ] - [ -0.0000007800000000, 0.0000000200000000, 0.0001843800000000 ] - [ -0.0000000100000000, 0.0000000700000000, -0.0000824900000000 ] - [ 0.0000005500000000, 0.0000002000000000, 0.0004634700000000 ] - [ -0.0000007900000000, 0.0000000200000000, 0.0002883400000000 ] - [ -0.0000717200000000, 0.0000000400000000, 0.0003364800000000 ] - [ 0.0000002800000000, -0.0000001700000000, -0.0000464600000000 ] - [ 0.0000006200000000, 0.0000002000000000, 0.0003293100000000 ] - [ 0.0000001200000000, 0.0000001000000000, -0.0000023000000000 ] - [ 0.0000001200000000, 0.0000001400000000, -0.0003128200000000 ] - [ -0.0000004200000000, 0.0000001100000000, 0.0000346700000000 ] - [ 0.0000000900000000, -0.0000001200000000, -0.0005789800000000 ] - [ 0.0009008800000000, -0.0000110900000000, -0.0000074600000000 ] - [ 0.0000010600000000, 0.0000002000000000, 0.0002137700000000 ] - [ -0.0000000700000000, 0.0000002400000000, 0.0001009800000000 ] - [ 0.0000011100000000, 0.0000002000000000, -0.0000546000000000 ] - [ -0.0000022400000000, -0.0000001300000000, -0.0000352100000000 ] - [ 0.0000006200000000, 0.0000000300000000, 0.0001093300000000 ] - [ 0.0000000400000000, -0.0000001100000000, -0.0002288300000000 ] - [ 0.0000001000000000, -0.0000001100000000, -0.0003921100000000 ] - [ -0.0000716900000000, 0.0000008200000000, 0.0004384000000000 ] - [ -0.0000000600000000, 0.0000000200000000, 0.0000343700000000 ] - [ -0.0000005000000000, -0.0000001300000000, -0.0003428800000000 ] - [ 0.0000006000000000, -0.0000001000000000, -0.0001297500000000 ] - [ 0.0000000600000000, 0.0000001200000000, -0.0004828500000000 ] - [ 0.0000000100000000, 0.0000002100000000, 0.0000739800000000 ] - [ 0.0000000100000000, -0.0000000800000000, 0.0000874700000000 ] - [ -0.0000001800000000, 0.0000001200000000, -0.0005490400000000 ] - [ 0.0000008500000000, 0.0000000300000000, -0.0002417200000000 ] - [ 0.0000006600000000, 0.0000000000000000, -0.0004547300000000 ] - [ 0.0000012300000000, 0.0000000200000000, 0.0000306100000000 ] - [ -0.0000000800000000, 0.0000001100000000, -0.0002173700000000 ] - [ -0.0000003400000000, 0.0000002000000000, 0.0002629500000000 ] - [ 0.0000010900000000, 0.0000000200000000, -0.0001409000000000 ] - [ 0.0008225800000000, 0.0000522200000000, 0.0001425800000000 ] - [ -0.0000004800000000, -0.0000001000000000, -0.0001458300000000 ] - [ 0.0000001500000000, 0.0000001100000000, -0.0002645800000000 ] - [ 0.0000000300000000, 0.0000002000000000, -0.0000558400000000 ] - [ 0.0000000600000000, -0.0000001100000000, -0.0002038400000000 ] - [ -0.0121591300000000, 0.0001629200000000, 0.0002255300000000 ] - [ 0.0000000200000000, 0.0000001000000000, -0.0000906600000000 ] - [ 0.0000002400000000, -0.0000001000000000, -0.0001518800000000 ] - [ 0.0000000900000000, 0.0000001100000000, -0.0002486700000000 ] - [ 0.0000003500000000, 0.0000002000000000, 0.0002095800000000 ]- atom: 71 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007263000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000728200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002145700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0306119700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002147800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000996800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001876200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004981400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001024300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003070400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004559400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004451700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000727200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003190000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003572900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001310800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002078700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005430100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003535600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001509400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001427500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004109800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001510200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000270500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003799500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001510300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003201100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001980700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001670700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000148900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003724800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002947100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002819400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000221900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005621900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003860400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004859700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000578600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004276900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001022800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002074900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001385300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004744900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016699400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003115700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001994700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000421100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000684200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002084800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001241400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002876600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005867400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001319200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002391300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000234400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003782900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001720400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001912200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004444000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001432800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003479000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001283100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001128900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003603400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000425400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0102852600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000421100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001596600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000428700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000994100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0419996500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000142600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000473500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001441000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003079500000000 ]- atom: 71 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003197800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004773600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001893200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0299770800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001888600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003047900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002164200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000932600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003011500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000969600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000519500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003679000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004965100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000849200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007607600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005351600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006089300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001400000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000498100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005555400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002613700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000066200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002528000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003768700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000248400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003579300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001145400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000077600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000378900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001886300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001696000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000881200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000785800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001789400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003561000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001815300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001769400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001427500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002220200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000992200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004088400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000602900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006749400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017071700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001068700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000111000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001614500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001301800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000009400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003248300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004881100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002799500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000721800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004383500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002256600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005786400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000329200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000081000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006449800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003488300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005504100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000766800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003130000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001579400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002479900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0098535100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002408600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003607300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001631900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002994500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0425946300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001864700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002474800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003444300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001023300000000 ]- atom: 72 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000006500000000, 0.0000000600000000, -0.0005239100000000 ] - [ 0.0000003900000000, -0.0000003900000000, 0.0002750100000000 ] - [ 0.0000013700000000, -0.0000003900000000, -0.0000127300000000 ] - [ -0.0000007300000000, 0.0000001200000000, 0.0002037000000000 ] - [ -0.0000014200000000, 0.0000001000000000, -0.0000131500000000 ] - [ 0.0000003100000000, -0.0000004200000000, 0.0001024200000000 ] - [ 0.0000003400000000, -0.0000004200000000, 0.0000143000000000 ] - [ 0.0000005800000000, -0.0000004100000000, -0.0002955000000000 ] - [ -0.0000752400000000, -0.0000015300000000, 0.0001022300000000 ] - [ 0.0000003200000000, 0.0000001100000000, -0.0001052500000000 ] - [ 0.0000007700000000, -0.0000003900000000, -0.0002540900000000 ] - [ 0.0000009800000000, -0.0000004100000000, 0.0004084500000000 ] - [ 0.0000003900000000, -0.0000004300000000, 0.0002844300000000 ] - [ 0.0000006200000000, -0.0000004000000000, -0.0001171400000000 ] - [ -0.0000007100000000, 0.0000001200000000, 0.0005580900000000 ] - [ 0.0000003100000000, 0.0000000800000000, 0.0003328300000000 ] - [ -0.0000008500000000, 0.0000001000000000, 0.0004082100000000 ] - [ 0.0000006300000000, 0.0000000700000000, -0.0003419500000000 ] - [ -0.0000005400000000, 0.0000000600000000, -0.0001520700000000 ] - [ 0.0000006400000000, -0.0000004400000000, 0.0003535800000000 ] - [ 0.0109694400000000, -0.0002041800000000, -0.0001817300000000 ] - [ 0.0000000900000000, -0.0000004000000000, -0.0002089500000000 ] - [ -0.0000297800000000, -0.0000001500000000, 0.0000505900000000 ] - [ -0.0000003600000000, 0.0000001100000000, 0.0001744700000000 ] - [ -0.0000011100000000, 0.0000000800000000, -0.0001775900000000 ] - [ -0.0000004300000000, 0.0000002200000000, -0.0002501000000000 ] - [ 0.0009005000000000, 0.0000089400000000, 0.0002351100000000 ] - [ -0.0000000700000000, 0.0000002200000000, 0.0000996300000000 ] - [ 0.0000003000000000, 0.0000000400000000, 0.0000691700000000 ] - [ -0.0000009800000000, 0.0000002100000000, -0.0000824700000000 ] - [ -0.0000024500000000, 0.0000000200000000, 0.0002756300000000 ] - [ 0.0008222900000000, 0.0000521300000000, 0.0001728500000000 ] - [ -0.0000002000000000, 0.0000000400000000, 0.0001844300000000 ] - [ 0.0000005000000000, 0.0000000900000000, -0.0000824700000000 ] - [ -0.0000002100000000, 0.0000002200000000, 0.0004635200000000 ] - [ 0.0000003200000000, 0.0000000400000000, 0.0002884100000000 ] - [ -0.0000000700000000, 0.0000000400000000, 0.0003368100000000 ] - [ -0.0000002100000000, -0.0000001500000000, -0.0000464400000000 ] - [ -0.0000000200000000, 0.0000002200000000, 0.0003293700000000 ] - [ 0.0000011100000000, 0.0000001200000000, -0.0000022700000000 ] - [ -0.0000000100000000, 0.0000001600000000, -0.0003128000000000 ] - [ 0.0000008300000000, 0.0000001200000000, 0.0000347000000000 ] - [ -0.0000001900000000, -0.0000001000000000, -0.0005789600000000 ] - [ 0.0000004200000000, 0.0000001200000000, 0.0000005400000000 ] - [ -0.0000005300000000, 0.0000002100000000, 0.0002138300000000 ] - [ 0.0000001400000000, 0.0000001100000000, 0.0001010200000000 ] - [ 0.0000000100000000, 0.0000002200000000, -0.0000545500000000 ] - [ 0.0000001900000000, -0.0000000800000000, -0.0000351900000000 ] - [ -0.0000002300000000, 0.0000000400000000, 0.0001093900000000 ] - [ 0.0000000700000000, -0.0000000900000000, -0.0002288100000000 ] - [ -0.0000001100000000, -0.0000000900000000, -0.0003920900000000 ] - [ -0.0000007300000000, 0.0000000400000000, 0.0004380000000000 ] - [ 0.0000003200000000, 0.0000000400000000, 0.0000344200000000 ] - [ -0.0000001300000000, -0.0000001100000000, -0.0003428700000000 ] - [ 0.0000002900000000, -0.0000000900000000, -0.0001297200000000 ] - [ 0.0000003400000000, 0.0000001300000000, -0.0004828300000000 ] - [ -0.0000002000000000, 0.0000002200000000, 0.0000740500000000 ] - [ -0.0000003000000000, -0.0000000600000000, 0.0000875000000000 ] - [ 0.0000005800000000, 0.0000001300000000, -0.0005490200000000 ] - [ 0.0000002400000000, 0.0000000400000000, -0.0002416600000000 ] - [ 0.0000001000000000, 0.0000000100000000, -0.0004546800000000 ] - [ 0.0000003800000000, 0.0000000400000000, 0.0000306900000000 ] - [ 0.0000010200000000, 0.0000001300000000, -0.0002173500000000 ] - [ -0.0000005100000000, 0.0000002200000000, 0.0002630300000000 ] - [ 0.0000000300000000, 0.0000000400000000, -0.0001408300000000 ] - [ -0.0000001500000000, -0.0000000700000000, 0.0001193800000000 ] - [ 0.0000906800000000, 0.0000005400000000, -0.0001461200000000 ] - [ 0.0000007200000000, 0.0000001200000000, -0.0002645500000000 ] - [ -0.0000003400000000, 0.0000002100000000, -0.0000557700000000 ] - [ 0.0000003000000000, -0.0000000900000000, -0.0002038200000000 ] - [ -0.0000000100000000, 0.0000002200000000, 0.0004805800000000 ] - [ -0.0127709000000000, 0.0001447200000000, 0.0001591600000000 ] - [ 0.0000908600000000, -0.0000003300000000, -0.0001510700000000 ] - [ 0.0000008800000000, 0.0000001300000000, -0.0002486500000000 ] - [ -0.0000002200000000, 0.0000001200000000, 0.0002096500000000 ]- atom: 72 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007230800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000762900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002108000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000048400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002119900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000962200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001842700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004945600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002204100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003035700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004525600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002100300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000860400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003156900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003604200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001343200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002094500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005399200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003515200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001543800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302994600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004079900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001651400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000248700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003776600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001537600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019311700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001965800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001657600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000130700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003716500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0101693100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002815400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000198100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005604200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003853700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004333800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000552300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004274100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000998700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002096400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001367600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004766700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001031100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003100200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002035300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000415700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000665600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002052400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001264300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002901800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005338700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001307000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002405800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000278000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003794900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001704400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001887800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004458400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001454500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003502000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001267300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001143100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003600900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000445500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002205900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000046400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001614300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000405900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001015500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005778100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0422954700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000090500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001461100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003003700000000 ]- atom: 72 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003240800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004727600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001845700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004017200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001849000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003003500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002120500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000977800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000133800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000924700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000563500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006063000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004819000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000805900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007562400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005307300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006061300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001441300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000466700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005510100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0304072400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000106400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002664400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003734900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000216000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003547900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014451700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000054800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000361300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001864600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001720600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099702000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000800400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001768600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003586900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001819600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002322000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001402400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002245600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000965900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004063700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000590100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006722600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000935400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001100900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000071200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001598500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001285500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000051600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003222100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004851500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003336400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000703400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004366000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002238900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005770500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000309100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000058600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006432300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003462200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005479100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000748000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003118000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001590100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002455500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000263000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002782400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003585300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001604200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002971800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003755900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0424804500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002848100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003422000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001112300000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0000001000000000, -0.0005238600000000 ] - [ 0.0000012500000000, -0.0000003500000000, 0.0002750600000000 ] - [ -0.0000744100000000, 0.0000012400000000, -0.0000097100000000 ] - [ 0.0000002500000000, 0.0000001600000000, 0.0002037500000000 ] - [ -0.0000004100000000, 0.0000001400000000, -0.0000131000000000 ] - [ -0.0000003900000000, -0.0000003900000000, 0.0001024500000000 ] - [ 0.0000013300000000, -0.0000003700000000, 0.0000143400000000 ] - [ 0.0000004300000000, -0.0000003700000000, -0.0002954600000000 ] - [ 0.0109688600000000, 0.0002038800000000, -0.0001414900000000 ] - [ -0.0000006300000000, 0.0000001400000000, -0.0001052100000000 ] - [ 0.0000003700000000, -0.0000003500000000, -0.0002540400000000 ] - [ 0.0000000900000000, -0.0000003700000000, 0.0004085000000000 ] - [ 0.0000003000000000, -0.0000003900000000, 0.0002844800000000 ] - [ 0.0000016000000000, -0.0000003600000000, -0.0001171000000000 ] - [ -0.0000000200000000, 0.0000001600000000, 0.0005581300000000 ] - [ 0.0000007000000000, 0.0000001100000000, 0.0003328900000000 ] - [ -0.0000002900000000, 0.0000001400000000, 0.0004082600000000 ] - [ -0.0000001800000000, 0.0000001100000000, -0.0003419100000000 ] - [ -0.0000000600000000, 0.0000001000000000, -0.0001520300000000 ] - [ 0.0000006300000000, -0.0000004000000000, 0.0003536400000000 ] - [ -0.0000288600000000, -0.0000001200000000, 0.0000589600000000 ] - [ -0.0000001700000000, -0.0000003600000000, -0.0002089200000000 ] - [ -0.0000004400000000, 0.0000001300000000, 0.0000507400000000 ] - [ -0.0000003500000000, 0.0000001500000000, 0.0001745100000000 ] - [ 0.0000001100000000, 0.0000001200000000, -0.0001775500000000 ] - [ 0.0000000500000000, 0.0000002500000000, -0.0002500500000000 ] - [ 0.0008221100000000, -0.0000518300000000, 0.0001987200000000 ] - [ 0.0000001500000000, 0.0000002500000000, 0.0000996900000000 ] - [ -0.0000005400000000, 0.0000000900000000, 0.0000692200000000 ] - [ -0.0000001500000000, 0.0000002500000000, -0.0000824200000000 ] - [ 0.0009009400000000, -0.0000086400000000, 0.0002889900000000 ] - [ 0.0000002200000000, 0.0000001800000000, 0.0001961500000000 ] - [ 0.0000002200000000, 0.0000000800000000, 0.0001845000000000 ] - [ -0.0000005800000000, 0.0000001300000000, -0.0000824400000000 ] - [ -0.0000009000000000, 0.0000002500000000, 0.0004636000000000 ] - [ -0.0000000900000000, 0.0000000800000000, 0.0002884700000000 ] - [ 0.0000004100000000, 0.0000000700000000, 0.0003368800000000 ] - [ -0.0000001200000000, -0.0000001100000000, -0.0000463900000000 ] - [ 0.0000001400000000, 0.0000002500000000, 0.0003294400000000 ] - [ 0.0000906200000000, 0.0000004000000000, -0.0000014600000000 ] - [ -0.0000004000000000, 0.0000002000000000, -0.0003127600000000 ] - [ 0.0000000300000000, 0.0000001600000000, 0.0000347200000000 ] - [ 0.0000010700000000, -0.0000000600000000, -0.0005789100000000 ] - [ -0.0000000600000000, 0.0000001600000000, 0.0000005600000000 ] - [ -0.0000026200000000, 0.0000002700000000, 0.0002138200000000 ] - [ -0.0000004200000000, 0.0000001400000000, 0.0001010400000000 ] - [ -0.0000003800000000, 0.0000002500000000, -0.0000544700000000 ] - [ 0.0000013300000000, -0.0000000400000000, -0.0000351700000000 ] - [ 0.0000003700000000, 0.0000000800000000, 0.0001094500000000 ] - [ 0.0000012100000000, -0.0000000500000000, -0.0002287700000000 ] - [ 0.0000008300000000, -0.0000000500000000, -0.0003920500000000 ] - [ 0.0000004400000000, 0.0000000800000000, 0.0004380700000000 ] - [ 0.0000002500000000, 0.0000000800000000, 0.0000344800000000 ] - [ 0.0000004700000000, -0.0000000700000000, -0.0003428200000000 ] - [ 0.0000016200000000, -0.0000000400000000, -0.0001297000000000 ] - [ -0.0000004200000000, 0.0000001800000000, -0.0004827800000000 ] - [ 0.0000001200000000, 0.0000002600000000, 0.0000741000000000 ] - [ 0.0000006600000000, -0.0000000300000000, 0.0000875300000000 ] - [ -0.0000003500000000, 0.0000001700000000, -0.0005489800000000 ] - [ 0.0000000900000000, 0.0000000800000000, -0.0002416100000000 ] - [ 0.0000010900000000, 0.0000000600000000, -0.0004546800000000 ] - [ -0.0000000700000000, 0.0000000800000000, 0.0000307400000000 ] - [ 0.0000000600000000, 0.0000001700000000, -0.0002173100000000 ] - [ 0.0000001400000000, 0.0000002500000000, 0.0002630500000000 ] - [ 0.0000000100000000, 0.0000000700000000, -0.0001407800000000 ] - [ 0.0000009500000000, -0.0000000300000000, 0.0001193900000000 ] - [ 0.0000015300000000, -0.0000000400000000, -0.0001457800000000 ] - [ -0.0000003400000000, 0.0000001600000000, -0.0002645100000000 ] - [ 0.0000002100000000, 0.0000002500000000, -0.0000557300000000 ] - [ 0.0000013900000000, -0.0000000600000000, -0.0002037900000000 ] - [ -0.0000002400000000, 0.0000002500000000, 0.0004806500000000 ] - [ 0.0000905500000000, -0.0000004700000000, -0.0000909100000000 ] - [ -0.0127807300000000, -0.0001474000000000, 0.0000945600000000 ] - [ -0.0000001700000000, 0.0000001700000000, -0.0002486100000000 ] - [ -0.0000004000000000, 0.0000002600000000, 0.0002097000000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007231000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000763100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001103200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000055200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002113000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000961000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001838900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004943100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0303410500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003040700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004533700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002102900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000858100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003150900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003600500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001347600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002099900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005404400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003502900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001543200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001564300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004085700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001476200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000234900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003757300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001494900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0101997000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002002300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001690400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000182500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019890600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002907300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002846600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000155100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005630800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003880500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004381800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000517100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004298800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001362500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002150800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001330100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004805700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000985300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003130800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001986800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000455400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000630000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002101300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001303400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002935500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005385100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001350500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002447500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000311000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003852300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001750500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001862800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004512000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001411800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003550300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001313200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001194400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003630200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000402800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002180500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000474700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001672600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000451800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001059600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005807500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000464100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0423614400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001508900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003097200000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003244600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004733400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001269200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004015800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001847600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003006600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002121600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000973500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0303665700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000933800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000551400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006064000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004826800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000805400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007566100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005307400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006062200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001434100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000459200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005521600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002743600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000095400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002488800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003724700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000202400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003545200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099443800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000048700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000348500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001870000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013914800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000976200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000800300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001757100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003596000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001846800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002321300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001400800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002230600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001349100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004056800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000590200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006730100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000925900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001103800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000083900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001594000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001287000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000042400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003226600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004862700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003328500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000704000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004368200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002238200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005758400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000309700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000065000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006423500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003461600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005484400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000744000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003105200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001592400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002453600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000253500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002401600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003572700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001605400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002971100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003763000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002227600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0424070300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003417900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001057300000000 ]- atom: 74 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000005800000000, 0.0000000600000000, -0.0005238600000000 ] - [ 0.0000003700000000, -0.0000003900000000, 0.0002750600000000 ] - [ 0.0000010000000000, -0.0000004000000000, -0.0000126900000000 ] - [ -0.0000007600000000, 0.0000001100000000, 0.0002037600000000 ] - [ -0.0000753000000000, -0.0000015000000000, -0.0000101300000000 ] - [ 0.0000014600000000, -0.0000004200000000, 0.0001024700000000 ] - [ 0.0109690500000000, -0.0002041800000000, -0.0002264100000000 ] - [ 0.0000008900000000, -0.0000004100000000, -0.0002954400000000 ] - [ -0.0000008000000000, 0.0000000700000000, 0.0000992800000000 ] - [ -0.0000297700000000, -0.0000001400000000, -0.0001053100000000 ] - [ 0.0000003400000000, -0.0000003900000000, -0.0002540300000000 ] - [ 0.0000006600000000, -0.0000004100000000, 0.0004085100000000 ] - [ 0.0000008100000000, -0.0000004300000000, 0.0002844900000000 ] - [ 0.0000001400000000, -0.0000004000000000, -0.0001170800000000 ] - [ -0.0000002300000000, 0.0000001200000000, 0.0005581400000000 ] - [ -0.0000006300000000, 0.0000000800000000, 0.0003328800000000 ] - [ -0.0000003200000000, 0.0000001000000000, 0.0004082800000000 ] - [ -0.0000010800000000, 0.0000000700000000, -0.0003418900000000 ] - [ 0.0000004200000000, 0.0000000600000000, -0.0001520200000000 ] - [ 0.0000004100000000, -0.0000004400000000, 0.0003536400000000 ] - [ 0.0000004800000000, -0.0000004100000000, 0.0000590800000000 ] - [ 0.0000002900000000, -0.0000003900000000, -0.0002089000000000 ] - [ 0.0000003600000000, 0.0000000900000000, 0.0000507500000000 ] - [ -0.0000001500000000, 0.0000001100000000, 0.0001745200000000 ] - [ -0.0000013500000000, 0.0000000700000000, -0.0001775400000000 ] - [ -0.0000001600000000, 0.0000002200000000, -0.0002499800000000 ] - [ 0.0000000100000000, 0.0000002200000000, 0.0002220000000000 ] - [ 0.0008996600000000, 0.0000089200000000, 0.0001129500000000 ] - [ -0.0000001900000000, 0.0000000400000000, 0.0000692800000000 ] - [ -0.0000000300000000, 0.0000002200000000, -0.0000823500000000 ] - [ -0.0000000200000000, 0.0000000400000000, 0.0002758200000000 ] - [ 0.0000003600000000, 0.0000000400000000, 0.0001961900000000 ] - [ 0.0000000000000000, 0.0000000400000000, 0.0001845400000000 ] - [ -0.0000004100000000, 0.0000000900000000, -0.0000824700000000 ] - [ 0.0000001200000000, 0.0000002100000000, 0.0004636300000000 ] - [ -0.0000006900000000, 0.0000000300000000, 0.0002885200000000 ] - [ -0.0000001600000000, 0.0000000300000000, 0.0003369200000000 ] - [ -0.0000001900000000, -0.0000001500000000, -0.0000464300000000 ] - [ -0.0000001800000000, 0.0000002200000000, 0.0003294900000000 ] - [ 0.0000004700000000, 0.0000001200000000, -0.0000023000000000 ] - [ 0.0000003800000000, 0.0000001600000000, -0.0003128200000000 ] - [ 0.0000001800000000, 0.0000001200000000, 0.0000346900000000 ] - [ 0.0000001100000000, -0.0000001000000000, -0.0005789800000000 ] - [ 0.0000005600000000, 0.0000001200000000, 0.0000005300000000 ] - [ 0.0000000400000000, 0.0000002100000000, 0.0002139500000000 ] - [ -0.0000001800000000, 0.0000001100000000, 0.0001010000000000 ] - [ -0.0000000300000000, 0.0000002200000000, -0.0000544100000000 ] - [ -0.0000002800000000, -0.0000000800000000, -0.0000352100000000 ] - [ -0.0000024100000000, 0.0000000200000000, 0.0001094400000000 ] - [ 0.0000905800000000, 0.0000005300000000, -0.0002291300000000 ] - [ 0.0000003400000000, -0.0000001000000000, -0.0003921100000000 ] - [ -0.0000001600000000, 0.0000000400000000, 0.0004381100000000 ] - [ 0.0008224100000000, 0.0000521300000000, 0.0000113100000000 ] - [ -0.0000000800000000, -0.0000001100000000, -0.0003428900000000 ] - [ -0.0000001200000000, -0.0000000900000000, -0.0001297400000000 ] - [ 0.0000009300000000, 0.0000001300000000, -0.0004828400000000 ] - [ -0.0000001800000000, 0.0000001300000000, 0.0000741700000000 ] - [ -0.0000001400000000, -0.0000000600000000, 0.0000874900000000 ] - [ 0.0000007600000000, 0.0000001300000000, -0.0005490400000000 ] - [ 0.0000003400000000, 0.0000000400000000, -0.0002415500000000 ] - [ -0.0000005500000000, 0.0000000200000000, -0.0004547300000000 ] - [ 0.0000000600000000, 0.0000000400000000, 0.0000308100000000 ] - [ 0.0000011400000000, 0.0000001300000000, -0.0002173600000000 ] - [ -0.0000003900000000, 0.0000002200000000, 0.0002631200000000 ] - [ 0.0000003700000000, 0.0000000400000000, -0.0001407100000000 ] - [ 0.0000000900000000, -0.0000000800000000, 0.0001193700000000 ] - [ 0.0000003200000000, -0.0000000900000000, -0.0001458200000000 ] - [ 0.0000010700000000, 0.0000001200000000, -0.0002645800000000 ] - [ -0.0000009400000000, 0.0000002100000000, -0.0000556700000000 ] - [ 0.0000908200000000, -0.0000003300000000, -0.0002030500000000 ] - [ 0.0000000500000000, 0.0000002200000000, 0.0004806900000000 ] - [ 0.0000008700000000, 0.0000001200000000, -0.0000906600000000 ] - [ 0.0000002300000000, -0.0000000900000000, -0.0001518700000000 ] - [ -0.0127700400000000, 0.0001448100000000, -0.0000026300000000 ] - [ -0.0000004900000000, 0.0000002100000000, 0.0002097600000000 ]- atom: 74 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007235500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000765900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002112200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000052800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001093900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000957900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302543000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004942300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000992300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003204500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004524500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002100300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000858000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003162000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003600100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001341700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002086700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005414600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003504200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001542400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001392600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004075300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001481900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000237800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003765100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001529600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003195000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018066200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001656300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000150000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003717700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002924400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002811700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000194400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005602500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003840000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004328900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000550600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004256900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001008100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002096100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001379700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004771500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001038200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003104400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002039400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000410000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000672200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002049000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000879900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002904300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005342900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100083700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002415500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000278000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003808400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001652500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001896300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004464300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001443400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003505400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001270100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001145900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003601300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000438600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002218700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000431600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001619600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000403900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000606500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005770800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000120300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000495300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0424559200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003054900000000 ]- atom: 74 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003234200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004726800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001851100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004014300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001269300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003001300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0304516900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000979900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002970700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001098200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000562400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006065600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004823600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000813000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007568400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005312400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006072500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001423300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000457800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005514800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002570600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000108200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002490900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003727100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000206200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003548200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001173200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015652100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000347600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001873500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001711900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000898000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000800100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001756700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003584700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001843500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002321700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001399000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002245100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000962900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004064500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000591000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006722700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000933800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001088200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000075200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001595900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001282000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000058900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003612200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004856400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003328500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101315500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004358200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002226300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005762600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000241100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000058800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006428900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003466600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005472000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000745500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003115400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001591400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002453300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000259100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002398500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003591500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001597200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003365700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003758700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001842000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002451500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0423098700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001061100000000 ]- atom: 75 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000000700000000, -0.0000000300000000, -0.0005237100000000 ] - [ 0.0000004100000000, -0.0000004800000000, 0.0002752100000000 ] - [ 0.0000013200000000, -0.0000004800000000, -0.0000125400000000 ] - [ 0.0000001600000000, 0.0000000300000000, 0.0002039000000000 ] - [ 0.0000006700000000, 0.0000000300000000, -0.0000129600000000 ] - [ -0.0001886500000000, 0.0000015500000000, 0.0001016700000000 ] - [ 0.0000006100000000, -0.0000005000000000, 0.0000144800000000 ] - [ 0.0000011800000000, -0.0000004900000000, -0.0002953100000000 ] - [ -0.0000002300000000, -0.0000000100000000, 0.0000994300000000 ] - [ -0.0000002500000000, 0.0000000200000000, -0.0001050600000000 ] - [ 0.0000012500000000, -0.0000004700000000, -0.0002539000000000 ] - [ 0.0000014100000000, -0.0000004900000000, 0.0004086500000000 ] - [ 0.0000012200000000, -0.0000005100000000, 0.0002846400000000 ] - [ 0.0000008500000000, -0.0000004800000000, -0.0001169500000000 ] - [ -0.0000000400000000, 0.0000000300000000, 0.0005582900000000 ] - [ -0.0000001800000000, -0.0000000100000000, 0.0003330300000000 ] - [ -0.0000004400000000, 0.0000000200000000, 0.0004084200000000 ] - [ 0.0000000800000000, -0.0000000200000000, -0.0003417600000000 ] - [ -0.0000001000000000, -0.0000000200000000, -0.0001518800000000 ] - [ 0.0000005500000000, -0.0000005300000000, 0.0003537800000000 ] - [ 0.0000231900000000, -0.0000006000000000, 0.0000593100000000 ] - [ 0.0000013100000000, -0.0000004800000000, -0.0002087700000000 ] - [ 0.0107321600000000, -0.0002056400000000, 0.0002911900000000 ] - [ 0.0000000700000000, 0.0000000300000000, 0.0001746700000000 ] - [ 0.0000003700000000, -0.0000000100000000, -0.0001774000000000 ] - [ 0.0000004200000000, 0.0000001300000000, -0.0002500500000000 ] - [ 0.0000006100000000, 0.0000001300000000, 0.0002219300000000 ] - [ 0.0000006800000000, 0.0000001300000000, 0.0000996900000000 ] - [ -0.0000000100000000, -0.0000000400000000, 0.0000692300000000 ] - [ 0.0000007100000000, 0.0000001300000000, -0.0000824100000000 ] - [ -0.0000007100000000, -0.0000000500000000, 0.0002757600000000 ] - [ -0.0000714600000000, 0.0000007500000000, 0.0001965900000000 ] - [ 0.0000001800000000, -0.0000000400000000, 0.0001844700000000 ] - [ -0.0000002000000000, 0.0000000100000000, -0.0000825500000000 ] - [ 0.0000008600000000, 0.0000001300000000, 0.0004635700000000 ] - [ 0.0000000500000000, -0.0000000500000000, 0.0002884500000000 ] - [ 0.0000003900000000, -0.0000000500000000, 0.0003368700000000 ] - [ 0.0000000700000000, -0.0000002400000000, -0.0000465100000000 ] - [ 0.0000010100000000, 0.0000001300000000, 0.0003294200000000 ] - [ 0.0000000800000000, 0.0000000300000000, -0.0000023800000000 ] - [ 0.0000001800000000, 0.0000000700000000, -0.0003128900000000 ] - [ -0.0000000100000000, 0.0000000300000000, 0.0000346000000000 ] - [ -0.0000004200000000, -0.0000001900000000, -0.0005790500000000 ] - [ -0.0000007000000000, 0.0000000400000000, 0.0000004500000000 ] - [ 0.0000011800000000, 0.0000001300000000, 0.0002138800000000 ] - [ -0.0000002200000000, 0.0000000200000000, 0.0001009200000000 ] - [ 0.0000002600000000, 0.0000001300000000, -0.0000544900000000 ] - [ 0.0000006000000000, -0.0000001600000000, -0.0000353000000000 ] - [ -0.0000715700000000, -0.0000000200000000, 0.0001091700000000 ] - [ 0.0000006500000000, -0.0000001700000000, -0.0002289000000000 ] - [ 0.0000003100000000, -0.0000001800000000, -0.0003921800000000 ] - [ 0.0000006200000000, -0.0000000500000000, 0.0004380500000000 ] - [ -0.0000007200000000, -0.0000000500000000, 0.0000344700000000 ] - [ 0.0000001200000000, -0.0000002000000000, -0.0003429600000000 ] - [ 0.0000006800000000, -0.0000001700000000, -0.0001298200000000 ] - [ 0.0000001100000000, 0.0000000500000000, -0.0004829100000000 ] - [ 0.0000011300000000, 0.0000001300000000, 0.0000741000000000 ] - [ 0.0000005500000000, -0.0000001500000000, 0.0000874100000000 ] - [ 0.0000000100000000, 0.0000000500000000, -0.0005491100000000 ] - [ 0.0000006900000000, -0.0000000400000000, -0.0002416200000000 ] - [ 0.0000007800000000, -0.0000000700000000, -0.0004547900000000 ] - [ 0.0000000000000000, -0.0000000500000000, 0.0000307400000000 ] - [ 0.0008997100000000, -0.0000111300000000, -0.0002253700000000 ] - [ 0.0000000800000000, 0.0000001300000000, 0.0002630600000000 ] - [ 0.0000006000000000, -0.0000000500000000, -0.0001407800000000 ] - [ 0.0000002300000000, -0.0000001600000000, 0.0001192800000000 ] - [ 0.0008225600000000, 0.0000521400000000, -0.0001226700000000 ] - [ 0.0000001900000000, 0.0000000400000000, -0.0002646400000000 ] - [ 0.0000008300000000, 0.0000001300000000, -0.0000557300000000 ] - [ -0.0000021700000000, -0.0000002100000000, -0.0002039100000000 ] - [ 0.0000006100000000, 0.0000001300000000, 0.0004806300000000 ] - [ 0.0000000000000000, 0.0000001900000000, -0.0000907500000000 ] - [ 0.0000000700000000, -0.0000001800000000, -0.0001519600000000 ] - [ -0.0000003500000000, 0.0000000400000000, -0.0002487400000000 ] - [ -0.0121662400000000, 0.0001682200000000, -0.0000467200000000 ]- atom: 75 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007262100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000732000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002143400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000025500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002131500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001393800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001873000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004969000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001020800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003066800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004555500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002074900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000832800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003187200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003567400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001315900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002064700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005430500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003533000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001519100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001526100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004102300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0304631700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000267000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003787300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001467500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003252500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002031800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001711200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000209100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003778600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003497500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002862400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000175900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005664200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003899900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004400500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000538200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004323300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000976700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002131900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001347300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004802800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000996800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003163100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002008300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000480800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000648900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002629200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001273900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002926300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005415900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001369700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002435400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000300200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003830300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001769000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001873900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004495000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001375700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003536400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001330600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014451500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003652300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000371000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002192300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100157900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001650200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000476100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001054700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005836700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000030900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000527300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001498100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0422778900000000 ]- atom: 75 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003207800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004776600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001898300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004058300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001878200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000620800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002169000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000933200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003015800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000972100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000516800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006104200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004864700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000854100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007608700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005353000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006110800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001397100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000501800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005561200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002717200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000067200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301335600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003768700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000245400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003539300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001179700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000040000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000333300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001861700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001727500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000416800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000814200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001818800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003595000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001856500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002323400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001461400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002254200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001021100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004119700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000647400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006777000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000979800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001104800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000019300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001586200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001348200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000466800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003286000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004916200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003330500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000686900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004422400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002291700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005825100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000291700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000118400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006483500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003465800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005544700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000728400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019262700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001598400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002452000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000199700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101228600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003652800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001597800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003026400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003765500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001844400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002509700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003475800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0423305300000000 ]