# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/638fb66b-3f0d-4626-91f5-83346372a3c4/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 Li3VS4 / Pmn2_1 (31) / materials id 755642](https://mdr.nims.go.jp/datasets/c1fcc3e5-3225-4731-b3e2-c7ea882d6559) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Pmn2_1" number: 31 Hall_symbol: "P 2ac -2"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 7.708169060000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 6.707857450000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 6.244793150000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.000000000000000, 0.347274270000000, 0.509549320000000 ] mass: 6.941000 - symbol: Li # 2 coordinates: [ 0.244865050000000, 0.175132110000000, 0.001542850000000 ] mass: 6.941000 - symbol: Li # 3 coordinates: [ 0.255134950000000, 0.824867890000000, 0.501542850000000 ] mass: 6.941000 - symbol: Li # 4 coordinates: [ 0.500000000000000, 0.652725730000000, 0.009549320000000 ] mass: 6.941000 - symbol: Li # 5 coordinates: [ 0.744865050000000, 0.824867890000000, 0.501542850000000 ] mass: 6.941000 - symbol: Li # 6 coordinates: [ 0.755134950000000, 0.175132110000000, 0.001542850000000 ] mass: 6.941000 - symbol: V # 7 coordinates: [ 0.000000000000000, 0.677039250000000, 0.002541210000000 ] mass: 50.941500 - symbol: V # 8 coordinates: [ 0.500000000000000, 0.322960750000000, 0.502541210000000 ] mass: 50.941500 - symbol: S # 9 coordinates: [ 0.000000000000000, 0.375242470000000, 0.115946560000000 ] mass: 32.065000 - symbol: S # 10 coordinates: [ 0.000000000000000, 0.679408180000000, 0.659980510000000 ] mass: 32.065000 - symbol: S # 11 coordinates: [ 0.230270800000000, 0.826997940000000, 0.112081330000000 ] mass: 32.065000 - symbol: S # 12 coordinates: [ 0.269729200000000, 0.173002060000000, 0.612081330000000 ] mass: 32.065000 - symbol: S # 13 coordinates: [ 0.500000000000000, 0.320591820000000, 0.159980510000000 ] mass: 32.065000 - symbol: S # 14 coordinates: [ 0.500000000000000, 0.624757530000000, 0.615946560000000 ] mass: 32.065000 - symbol: S # 15 coordinates: [ 0.730270800000000, 0.173002060000000, 0.612081330000000 ] mass: 32.065000 - symbol: S # 16 coordinates: [ 0.769729200000000, 0.826997940000000, 0.112081330000000 ] mass: 32.065000 reciprocal_lattice: # without 2pi - [ 0.129732494476451, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.149078898508793, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.160133406500422 ] # c*unit_cell: lattice: - [ 7.708169060000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 6.707857450000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 6.244793150000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.000000000000000, 0.347274270000000, 0.509549320000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.244865050000000, 0.175132110000000, 0.001542850000000 ] mass: 6.941000 reduced_to: 2 - symbol: Li # 3 coordinates: [ 0.255134950000000, 0.824867890000000, 0.501542850000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 4 coordinates: [ 0.500000000000000, 0.652725730000000, 0.009549320000000 ] mass: 6.941000 reduced_to: 4 - symbol: Li # 5 coordinates: [ 0.744865050000000, 0.824867890000000, 0.501542850000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 6 coordinates: [ 0.755134950000000, 0.175132110000000, 0.001542850000000 ] mass: 6.941000 reduced_to: 6 - symbol: V # 7 coordinates: [ 0.000000000000000, 0.677039250000000, 0.002541210000000 ] mass: 50.941500 reduced_to: 7 - symbol: V # 8 coordinates: [ 0.500000000000000, 0.322960750000000, 0.502541210000000 ] mass: 50.941500 reduced_to: 8 - symbol: S # 9 coordinates: [ 0.000000000000000, 0.375242470000000, 0.115946560000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 10 coordinates: [ 0.000000000000000, 0.679408180000000, 0.659980510000000 ] mass: 32.065000 reduced_to: 10 - symbol: S # 11 coordinates: [ 0.230270800000000, 0.826997940000000, 0.112081330000000 ] mass: 32.065000 reduced_to: 11 - symbol: S # 12 coordinates: [ 0.269729200000000, 0.173002060000000, 0.612081330000000 ] mass: 32.065000 reduced_to: 12 - symbol: S # 13 coordinates: [ 0.500000000000000, 0.320591820000000, 0.159980510000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 14 coordinates: [ 0.500000000000000, 0.624757530000000, 0.615946560000000 ] mass: 32.065000 reduced_to: 14 - symbol: S # 15 coordinates: [ 0.730270800000000, 0.173002060000000, 0.612081330000000 ] mass: 32.065000 reduced_to: 15 - symbol: S # 16 coordinates: [ 0.769729200000000, 0.826997940000000, 0.112081330000000 ] mass: 32.065000 reduced_to: 16supercell: lattice: - [ 15.416338120000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 13.415714899999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.489586299999999 ] # c points: - symbol: Li # 1 coordinates: [ 0.000000000000000, 0.173637135000000, 0.254774660000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.500000000000000, 0.173637135000000, 0.254774660000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 3 coordinates: [ 0.000000000000000, 0.673637135000000, 0.254774660000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 4 coordinates: [ 0.500000000000000, 0.673637135000000, 0.254774660000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 5 coordinates: [ 0.000000000000000, 0.173637135000000, 0.754774660000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 6 coordinates: [ 0.500000000000000, 0.173637135000000, 0.754774660000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 7 coordinates: [ 0.000000000000000, 0.673637135000000, 0.754774660000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 8 coordinates: [ 0.500000000000000, 0.673637135000000, 0.754774660000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 9 coordinates: [ 0.122432525000000, 0.087566055000000, 0.000771425000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 10 coordinates: [ 0.622432525000000, 0.087566055000000, 0.000771425000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 11 coordinates: [ 0.122432525000000, 0.587566055000000, 0.000771425000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 12 coordinates: [ 0.622432525000000, 0.587566055000000, 0.000771425000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 13 coordinates: [ 0.122432525000000, 0.087566055000000, 0.500771425000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 14 coordinates: [ 0.622432525000000, 0.087566055000000, 0.500771425000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 15 coordinates: [ 0.122432525000000, 0.587566055000000, 0.500771425000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 16 coordinates: [ 0.622432525000000, 0.587566055000000, 0.500771425000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 17 coordinates: [ 0.127567475000000, 0.412433945000000, 0.250771425000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 18 coordinates: [ 0.627567475000000, 0.412433945000000, 0.250771425000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 19 coordinates: [ 0.127567475000000, 0.912433945000000, 0.250771425000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 20 coordinates: [ 0.627567475000000, 0.912433945000000, 0.250771425000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 21 coordinates: [ 0.127567475000000, 0.412433945000000, 0.750771425000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 22 coordinates: [ 0.627567475000000, 0.412433945000000, 0.750771425000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 23 coordinates: [ 0.127567475000000, 0.912433945000000, 0.750771425000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 24 coordinates: [ 0.627567475000000, 0.912433945000000, 0.750771425000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 25 coordinates: [ 0.250000000000000, 0.326362865000000, 0.004774660000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 26 coordinates: [ 0.750000000000000, 0.326362865000000, 0.004774660000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 27 coordinates: [ 0.250000000000000, 0.826362865000000, 0.004774660000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 28 coordinates: [ 0.750000000000000, 0.826362865000000, 0.004774660000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 29 coordinates: [ 0.250000000000000, 0.326362865000000, 0.504774660000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 30 coordinates: [ 0.750000000000000, 0.326362865000000, 0.504774660000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 31 coordinates: [ 0.250000000000000, 0.826362865000000, 0.504774660000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 32 coordinates: [ 0.750000000000000, 0.826362865000000, 0.504774660000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 33 coordinates: [ 0.372432525000000, 0.412433945000000, 0.250771425000000 ] mass: 6.941000 reduced_to: 33 - symbol: Li # 34 coordinates: [ 0.872432525000000, 0.412433945000000, 0.250771425000000 ] mass: 6.941000 reduced_to: 33 - symbol: Li # 35 coordinates: [ 0.372432525000000, 0.912433945000000, 0.250771425000000 ] mass: 6.941000 reduced_to: 33 - symbol: Li # 36 coordinates: [ 0.872432525000000, 0.912433945000000, 0.250771425000000 ] mass: 6.941000 reduced_to: 33 - symbol: Li # 37 coordinates: [ 0.372432525000000, 0.412433945000000, 0.750771425000000 ] mass: 6.941000 reduced_to: 33 - symbol: Li # 38 coordinates: [ 0.872432525000000, 0.412433945000000, 0.750771425000000 ] mass: 6.941000 reduced_to: 33 - symbol: Li # 39 coordinates: [ 0.372432525000000, 0.912433945000000, 0.750771425000000 ] mass: 6.941000 reduced_to: 33 - symbol: Li # 40 coordinates: [ 0.872432525000000, 0.912433945000000, 0.750771425000000 ] mass: 6.941000 reduced_to: 33 - symbol: Li # 41 coordinates: [ 0.377567475000000, 0.087566055000000, 0.000771425000000 ] mass: 6.941000 reduced_to: 41 - symbol: Li # 42 coordinates: [ 0.877567475000000, 0.087566055000000, 0.000771425000000 ] mass: 6.941000 reduced_to: 41 - symbol: Li # 43 coordinates: [ 0.377567475000000, 0.587566055000000, 0.000771425000000 ] mass: 6.941000 reduced_to: 41 - symbol: Li # 44 coordinates: [ 0.877567475000000, 0.587566055000000, 0.000771425000000 ] mass: 6.941000 reduced_to: 41 - symbol: Li # 45 coordinates: [ 0.377567475000000, 0.087566055000000, 0.500771425000000 ] mass: 6.941000 reduced_to: 41 - symbol: Li # 46 coordinates: [ 0.877567475000000, 0.087566055000000, 0.500771425000000 ] mass: 6.941000 reduced_to: 41 - symbol: Li # 47 coordinates: [ 0.377567475000000, 0.587566055000000, 0.500771425000000 ] mass: 6.941000 reduced_to: 41 - symbol: Li # 48 coordinates: [ 0.877567475000000, 0.587566055000000, 0.500771425000000 ] mass: 6.941000 reduced_to: 41 - symbol: V # 49 coordinates: [ 0.000000000000000, 0.338519625000000, 0.001270605000000 ] mass: 50.941500 reduced_to: 49 - symbol: V # 50 coordinates: [ 0.500000000000000, 0.338519625000000, 0.001270605000000 ] mass: 50.941500 reduced_to: 49 - symbol: V # 51 coordinates: [ 0.000000000000000, 0.838519625000000, 0.001270605000000 ] mass: 50.941500 reduced_to: 49 - symbol: V # 52 coordinates: [ 0.500000000000000, 0.838519625000000, 0.001270605000000 ] mass: 50.941500 reduced_to: 49 - symbol: V # 53 coordinates: [ 0.000000000000000, 0.338519625000000, 0.501270605000000 ] mass: 50.941500 reduced_to: 49 - symbol: V # 54 coordinates: [ 0.500000000000000, 0.338519625000000, 0.501270605000000 ] mass: 50.941500 reduced_to: 49 - symbol: V # 55 coordinates: [ 0.000000000000000, 0.838519625000000, 0.501270605000000 ] mass: 50.941500 reduced_to: 49 - symbol: V # 56 coordinates: [ 0.500000000000000, 0.838519625000000, 0.501270605000000 ] mass: 50.941500 reduced_to: 49 - symbol: V # 57 coordinates: [ 0.250000000000000, 0.161480375000000, 0.251270605000000 ] mass: 50.941500 reduced_to: 57 - symbol: V # 58 coordinates: [ 0.750000000000000, 0.161480375000000, 0.251270605000000 ] mass: 50.941500 reduced_to: 57 - symbol: V # 59 coordinates: [ 0.250000000000000, 0.661480375000000, 0.251270605000000 ] mass: 50.941500 reduced_to: 57 - symbol: V # 60 coordinates: [ 0.750000000000000, 0.661480375000000, 0.251270605000000 ] mass: 50.941500 reduced_to: 57 - symbol: V # 61 coordinates: [ 0.250000000000000, 0.161480375000000, 0.751270605000000 ] mass: 50.941500 reduced_to: 57 - symbol: V # 62 coordinates: [ 0.750000000000000, 0.161480375000000, 0.751270605000000 ] mass: 50.941500 reduced_to: 57 - symbol: V # 63 coordinates: [ 0.250000000000000, 0.661480375000000, 0.751270605000000 ] mass: 50.941500 reduced_to: 57 - symbol: V # 64 coordinates: [ 0.750000000000000, 0.661480375000000, 0.751270605000000 ] mass: 50.941500 reduced_to: 57 - symbol: S # 65 coordinates: [ 0.000000000000000, 0.187621235000000, 0.057973280000000 ] mass: 32.065000 reduced_to: 65 - symbol: S # 66 coordinates: [ 0.500000000000000, 0.187621235000000, 0.057973280000000 ] mass: 32.065000 reduced_to: 65 - symbol: S # 67 coordinates: [ 0.000000000000000, 0.687621235000000, 0.057973280000000 ] mass: 32.065000 reduced_to: 65 - symbol: S # 68 coordinates: [ 0.500000000000000, 0.687621235000000, 0.057973280000000 ] mass: 32.065000 reduced_to: 65 - symbol: S # 69 coordinates: [ 0.000000000000000, 0.187621235000000, 0.557973280000000 ] mass: 32.065000 reduced_to: 65 - symbol: S # 70 coordinates: [ 0.500000000000000, 0.187621235000000, 0.557973280000000 ] mass: 32.065000 reduced_to: 65 - symbol: S # 71 coordinates: [ 0.000000000000000, 0.687621235000000, 0.557973280000000 ] mass: 32.065000 reduced_to: 65 - symbol: S # 72 coordinates: [ 0.500000000000000, 0.687621235000000, 0.557973280000000 ] mass: 32.065000 reduced_to: 65 - symbol: S # 73 coordinates: [ 0.000000000000000, 0.339704090000000, 0.329990255000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 74 coordinates: [ 0.500000000000000, 0.339704090000000, 0.329990255000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 75 coordinates: [ 0.000000000000000, 0.839704090000000, 0.329990255000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 76 coordinates: [ 0.500000000000000, 0.839704090000000, 0.329990255000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 77 coordinates: [ 0.000000000000000, 0.339704090000000, 0.829990255000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 78 coordinates: [ 0.500000000000000, 0.339704090000000, 0.829990255000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 79 coordinates: [ 0.000000000000000, 0.839704090000000, 0.829990255000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 80 coordinates: [ 0.500000000000000, 0.839704090000000, 0.829990255000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 81 coordinates: [ 0.115135400000000, 0.413498970000000, 0.056040665000000 ] mass: 32.065000 reduced_to: 81 - symbol: S # 82 coordinates: [ 0.615135400000000, 0.413498970000000, 0.056040665000000 ] mass: 32.065000 reduced_to: 81 - symbol: S # 83 coordinates: [ 0.115135400000000, 0.913498970000000, 0.056040665000000 ] mass: 32.065000 reduced_to: 81 - symbol: S # 84 coordinates: [ 0.615135400000000, 0.913498970000000, 0.056040665000000 ] mass: 32.065000 reduced_to: 81 - symbol: S # 85 coordinates: [ 0.115135400000000, 0.413498970000000, 0.556040665000000 ] mass: 32.065000 reduced_to: 81 - symbol: S # 86 coordinates: [ 0.615135400000000, 0.413498970000000, 0.556040665000000 ] mass: 32.065000 reduced_to: 81 - symbol: S # 87 coordinates: [ 0.115135400000000, 0.913498970000000, 0.556040665000000 ] mass: 32.065000 reduced_to: 81 - symbol: S # 88 coordinates: [ 0.615135400000000, 0.913498970000000, 0.556040665000000 ] mass: 32.065000 reduced_to: 81 - symbol: S # 89 coordinates: [ 0.134864600000000, 0.086501030000000, 0.306040665000000 ] mass: 32.065000 reduced_to: 89 - symbol: S # 90 coordinates: [ 0.634864600000000, 0.086501030000000, 0.306040665000000 ] mass: 32.065000 reduced_to: 89 - symbol: S # 91 coordinates: [ 0.134864600000000, 0.586501030000000, 0.306040665000000 ] mass: 32.065000 reduced_to: 89 - symbol: S # 92 coordinates: [ 0.634864600000000, 0.586501030000000, 0.306040665000000 ] mass: 32.065000 reduced_to: 89 - symbol: S # 93 coordinates: [ 0.134864600000000, 0.086501030000000, 0.806040665000000 ] mass: 32.065000 reduced_to: 89 - symbol: S # 94 coordinates: [ 0.634864600000000, 0.086501030000000, 0.806040665000000 ] mass: 32.065000 reduced_to: 89 - symbol: S # 95 coordinates: [ 0.134864600000000, 0.586501030000000, 0.806040665000000 ] mass: 32.065000 reduced_to: 89 - symbol: S # 96 coordinates: [ 0.634864600000000, 0.586501030000000, 0.806040665000000 ] mass: 32.065000 reduced_to: 89 - symbol: S # 97 coordinates: [ 0.250000000000000, 0.160295910000000, 0.079990255000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 98 coordinates: [ 0.750000000000000, 0.160295910000000, 0.079990255000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 99 coordinates: [ 0.250000000000000, 0.660295910000000, 0.079990255000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 100 coordinates: [ 0.750000000000000, 0.660295910000000, 0.079990255000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 101 coordinates: [ 0.250000000000000, 0.160295910000000, 0.579990255000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 102 coordinates: [ 0.750000000000000, 0.160295910000000, 0.579990255000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 103 coordinates: [ 0.250000000000000, 0.660295910000000, 0.579990255000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 104 coordinates: [ 0.750000000000000, 0.660295910000000, 0.579990255000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 105 coordinates: [ 0.250000000000000, 0.312378765000000, 0.307973280000000 ] mass: 32.065000 reduced_to: 105 - symbol: S # 106 coordinates: [ 0.750000000000000, 0.312378765000000, 0.307973280000000 ] mass: 32.065000 reduced_to: 105 - symbol: S # 107 coordinates: [ 0.250000000000000, 0.812378765000000, 0.307973280000000 ] mass: 32.065000 reduced_to: 105 - symbol: S # 108 coordinates: [ 0.750000000000000, 0.812378765000000, 0.307973280000000 ] mass: 32.065000 reduced_to: 105 - symbol: S # 109 coordinates: [ 0.250000000000000, 0.312378765000000, 0.807973280000000 ] mass: 32.065000 reduced_to: 105 - symbol: S # 110 coordinates: [ 0.750000000000000, 0.312378765000000, 0.807973280000000 ] mass: 32.065000 reduced_to: 105 - symbol: S # 111 coordinates: [ 0.250000000000000, 0.812378765000000, 0.807973280000000 ] mass: 32.065000 reduced_to: 105 - symbol: S # 112 coordinates: [ 0.750000000000000, 0.812378765000000, 0.807973280000000 ] mass: 32.065000 reduced_to: 105 - symbol: S # 113 coordinates: [ 0.365135400000000, 0.086501030000000, 0.306040665000000 ] mass: 32.065000 reduced_to: 113 - symbol: S # 114 coordinates: [ 0.865135400000000, 0.086501030000000, 0.306040665000000 ] mass: 32.065000 reduced_to: 113 - symbol: S # 115 coordinates: [ 0.365135400000000, 0.586501030000000, 0.306040665000000 ] mass: 32.065000 reduced_to: 113 - symbol: S # 116 coordinates: [ 0.865135400000000, 0.586501030000000, 0.306040665000000 ] mass: 32.065000 reduced_to: 113 - symbol: S # 117 coordinates: [ 0.365135400000000, 0.086501030000000, 0.806040665000000 ] mass: 32.065000 reduced_to: 113 - symbol: S # 118 coordinates: [ 0.865135400000000, 0.086501030000000, 0.806040665000000 ] mass: 32.065000 reduced_to: 113 - symbol: S # 119 coordinates: [ 0.365135400000000, 0.586501030000000, 0.806040665000000 ] mass: 32.065000 reduced_to: 113 - symbol: S # 120 coordinates: [ 0.865135400000000, 0.586501030000000, 0.806040665000000 ] mass: 32.065000 reduced_to: 113 - symbol: S # 121 coordinates: [ 0.384864600000000, 0.413498970000000, 0.056040665000000 ] mass: 32.065000 reduced_to: 121 - symbol: S # 122 coordinates: [ 0.884864600000000, 0.413498970000000, 0.056040665000000 ] mass: 32.065000 reduced_to: 121 - symbol: S # 123 coordinates: [ 0.384864600000000, 0.913498970000000, 0.056040665000000 ] mass: 32.065000 reduced_to: 121 - symbol: S # 124 coordinates: [ 0.884864600000000, 0.913498970000000, 0.056040665000000 ] mass: 32.065000 reduced_to: 121 - symbol: S # 125 coordinates: [ 0.384864600000000, 0.413498970000000, 0.556040665000000 ] mass: 32.065000 reduced_to: 121 - symbol: S # 126 coordinates: [ 0.884864600000000, 0.413498970000000, 0.556040665000000 ] mass: 32.065000 reduced_to: 121 - symbol: S # 127 coordinates: [ 0.384864600000000, 0.913498970000000, 0.556040665000000 ] mass: 32.065000 reduced_to: 121 - symbol: S # 128 coordinates: [ 0.884864600000000, 0.913498970000000, 0.556040665000000 ] mass: 32.065000 reduced_to: 121born_effective_charge:- # 1 (Li) - [ 1.551091280000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 0.777944270000000, -0.138616600000000 ] - [ 0.000000000000000, 0.477888080000000, 1.270022210000000 ]- # 2 (Li) - [ 0.973876850000000, 0.213688660000000, -0.301516140000000 ] - [ -0.296795580000000, 1.384851400000000, -0.056197080000000 ] - [ 0.375656190000000, 0.234856060000000, 1.249023510000000 ]- # 3 (Li) - [ 0.973876850000000, 0.213688660000000, 0.301516140000000 ] - [ -0.296795580000000, 1.384851400000000, 0.056197080000000 ] - [ -0.375656190000000, -0.234856060000000, 1.249023510000000 ]- # 4 (Li) - [ 1.551091280000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 0.777944270000000, 0.138616600000000 ] - [ 0.000000000000000, -0.477888080000000, 1.270022210000000 ]- # 5 (Li) - [ 0.973876850000000, -0.213688660000000, -0.301516140000000 ] - [ 0.296795580000000, 1.384851400000000, 0.056197080000000 ] - [ 0.375656190000000, -0.234856060000000, 1.249023510000000 ]- # 6 (Li) - [ 0.973876850000000, -0.213688660000000, 0.301516140000000 ] - [ 0.296795580000000, 1.384851400000000, -0.056197080000000 ] - [ -0.375656190000000, 0.234856060000000, 1.249023510000000 ]- # 7 (V) - [ 2.579041320000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.010311840000000, 0.006817900000000 ] - [ 0.000000000000000, -0.132755620000000, 2.513318680000000 ]- # 8 (V) - [ 2.579041320000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.010311840000000, -0.006817900000000 ] - [ 0.000000000000000, 0.132755620000000, 2.513318680000000 ]- # 9 (S) - [ -0.631883440000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -2.555500400000000, 0.629396250000000 ] - [ 0.000000000000000, 0.742463110000000, -1.043744430000000 ]- # 10 (S) - [ -0.553076240000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -0.503827620000000, -0.019601890000000 ] - [ 0.000000000000000, 0.053037520000000, -3.188585460000001 ]- # 11 (S) - [ -2.446463310000000, -1.044400880000000, -0.699754570000000 ] - [ -0.688712640000000, -1.249315450000000, -0.300316890000000 ] - [ -0.618111550000000, -0.259788720000000, -1.024529010000000 ]- # 12 (S) - [ -2.446463310000000, -1.044400880000000, 0.699754570000000 ] - [ -0.688712640000000, -1.249315450000000, 0.300316890000000 ] - [ 0.618111550000000, 0.259788720000000, -1.024529010000000 ]- # 13 (S) - [ -0.553076240000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -0.503827620000000, 0.019601890000000 ] - [ 0.000000000000000, -0.053037520000000, -3.188585460000001 ]- # 14 (S) - [ -0.631883440000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -2.555500400000000, -0.629396250000000 ] - [ 0.000000000000000, -0.742463110000000, -1.043744430000000 ]- # 15 (S) - [ -2.446463310000000, 1.044400880000000, -0.699754570000000 ] - [ 0.688712640000000, -1.249315450000000, 0.300316890000000 ] - [ -0.618111550000000, 0.259788720000000, -1.024529010000000 ]- # 16 (S) - [ -2.446463310000000, 1.044400880000000, 0.699754570000000 ] - [ 0.688712640000000, -1.249315450000000, -0.300316890000000 ] - [ 0.618111550000000, -0.259788720000000, -1.024529010000000 ]dielectric_constant: - [ 5.263097840000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 4.944176660000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 5.297660240000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0214303100000000, 0.0005588000000000, -0.0012186500000000 ] - [ 0.0011577900000000, 0.0002509900000000, -0.0010487800000000 ] - [ -0.0001367900000000, 0.0002506700000000, -0.0010487200000000 ] - [ 0.0001332300000000, 0.0002501100000000, -0.0010496800000000 ] - [ -0.0001424800000000, 0.0002503000000000, -0.0010503800000000 ] - [ 0.0001613400000000, 0.0002497000000000, -0.0010478800000000 ] - [ -0.0000512300000000, 0.0002503800000000, -0.0010486500000000 ] - [ 0.0000503300000000, 0.0002499400000000, -0.0010481500000000 ] - [ -0.0013232900000000, -0.0008601300000000, 0.0014404700000000 ] - [ -0.0003740800000000, -0.0003946400000000, 0.0023074900000000 ] - [ -0.0009194500000000, -0.0005458900000000, 0.0020464600000000 ] - [ -0.0008025900000000, -0.0006297000000000, 0.0020895100000000 ] - [ -0.0010651300000000, -0.0007534100000000, 0.0030729800000000 ] - [ -0.0006468200000000, -0.0006444300000000, 0.0015365600000000 ] - [ -0.0008977600000000, -0.0006532200000000, 0.0021299000000000 ] - [ -0.0008247100000000, -0.0006252300000000, 0.0020137000000000 ] - [ 0.0004961900000000, 0.0014772800000000, 0.0020812400000000 ] - [ 0.0013603900000000, 0.0002969000000000, 0.0022172500000000 ] - [ 0.0006333700000000, -0.0002467800000000, 0.0018727500000000 ] - [ 0.0010691200000000, 0.0011484500000000, 0.0022747700000000 ] - [ 0.0007772600000000, 0.0006454200000000, 0.0019995000000000 ] - [ 0.0009363100000000, 0.0005909100000000, 0.0020971300000000 ] - [ 0.0008342700000000, 0.0005517700000000, 0.0020639700000000 ] - [ 0.0008885900000000, 0.0006887700000000, 0.0020843700000000 ] - [ 0.0000186500000000, 0.0002126900000000, -0.0013512700000000 ] - [ 0.0000182400000000, -0.0007093700000000, -0.0007474100000000 ] - [ 0.0000079300000000, -0.0002415000000000, -0.0010844200000000 ] - [ 0.0000079700000000, -0.0002578400000000, -0.0010119800000000 ] - [ 0.0000164900000000, -0.0000550900000000, -0.0004965200000000 ] - [ 0.0000202200000000, -0.0004440800000000, -0.0015963800000000 ] - [ 0.0000075500000000, -0.0003190100000000, -0.0009471600000000 ] - [ 0.0000082100000000, -0.0001813100000000, -0.0011492800000000 ] - [ -0.0003584000000000, 0.0009494900000000, 0.0019264800000000 ] - [ -0.0012191300000000, -0.0002277700000000, 0.0020662400000000 ] - [ -0.0006521600000000, 0.0000918700000000, 0.0018690200000000 ] - [ -0.0010864200000000, 0.0014849600000000, 0.0022701900000000 ] - [ -0.0007844500000000, 0.0006507100000000, 0.0020506100000000 ] - [ -0.0009452100000000, 0.0005982800000000, 0.0021433900000000 ] - [ -0.0008314000000000, 0.0005540900000000, 0.0020621400000000 ] - [ -0.0008872200000000, 0.0006925000000000, 0.0020817900000000 ] - [ 0.0013519700000000, -0.0008503500000000, 0.0018363900000000 ] - [ 0.0004020700000000, -0.0003854800000000, 0.0027008100000000 ] - [ 0.0009212100000000, -0.0006128400000000, 0.0020588900000000 ] - [ 0.0008057700000000, -0.0006951600000000, 0.0021002600000000 ] - [ 0.0010755400000000, -0.0005987800000000, 0.0026134900000000 ] - [ 0.0006647900000000, -0.0004868400000000, 0.0010789500000000 ] - [ 0.0008981700000000, -0.0006156500000000, 0.0021332700000000 ] - [ 0.0008265000000000, -0.0005910900000000, 0.0020166100000000 ] - [ 0.0002713900000000, -0.0089745800000000, -0.0049462700000000 ] - [ 0.0004699200000000, -0.0089597500000000, -0.0049507800000000 ] - [ -0.0010258700000000, -0.0089610600000000, -0.0049486400000000 ] - [ 0.0006333100000000, -0.0089635300000000, -0.0049503700000000 ] - [ -0.0002804700000000, -0.0089581900000000, -0.0049574100000000 ] - [ 0.0002961300000000, -0.0089590300000000, -0.0049466000000000 ] - [ -0.0005066900000000, -0.0089618500000000, -0.0049506400000000 ] - [ 0.0004345300000000, -0.0089612000000000, -0.0049502000000000 ] - [ 0.0058773500000000, 0.0114126600000000, -0.0066008600000000 ] - [ 0.0058564100000000, 0.0064999400000000, -0.0032878600000000 ] - [ -0.0000196500000000, 0.0087136500000000, -0.0050936800000000 ] - [ -0.0000168600000000, 0.0092099300000000, -0.0048032000000000 ] - [ -0.0000386700000000, 0.0089049700000000, -0.0046463900000000 ] - [ -0.0000329000000000, 0.0090196600000000, -0.0052494800000000 ] - [ 0.0000111700000000, 0.0089146900000000, -0.0049586300000000 ] - [ 0.0000137900000000, 0.0090039200000000, -0.0049343100000000 ] - [ 0.0003676400000000, 0.0066197800000000, -0.0002830200000000 ] - [ -0.0003102600000000, 0.0066150500000000, -0.0003147900000000 ] - [ 0.0000708000000000, 0.0066112800000000, -0.0003115100000000 ] - [ -0.0000501200000000, 0.0066074500000000, -0.0003105000000000 ] - [ 0.0003557500000000, 0.0065995900000000, -0.0003056500000000 ] - [ -0.0001726300000000, 0.0066092400000000, -0.0003109900000000 ] - [ 0.0000372900000000, 0.0066154900000000, -0.0003142200000000 ] - [ -0.0000344600000000, 0.0066131500000000, -0.0003136300000000 ] - [ -0.0000647700000000, 0.0019751300000000, -0.0001998700000000 ] - [ -0.0003173200000000, 0.0020169700000000, -0.0001878100000000 ] - [ 0.0001631800000000, 0.0020157400000000, -0.0001795600000000 ] - [ -0.0001274000000000, 0.0020159800000000, -0.0001833400000000 ] - [ -0.0000730100000000, 0.0020166900000000, -0.0001792300000000 ] - [ -0.0000486300000000, 0.0020163500000000, -0.0001794800000000 ] - [ 0.0000301300000000, 0.0020170000000000, -0.0001833300000000 ] - [ -0.0000280500000000, 0.0020177900000000, -0.0001885100000000 ] - [ 0.0040911700000000, 0.0022635300000000, 0.0014147000000000 ] - [ 0.0032552300000000, 0.0021540000000000, 0.0009404200000000 ] - [ 0.0044087300000000, 0.0027829300000000, 0.0015411900000000 ] - [ 0.0033247200000000, 0.0019323100000000, 0.0009542000000000 ] - [ 0.0043524000000000, 0.0023665000000000, 0.0014098300000000 ] - [ 0.0034359100000000, 0.0021670200000000, 0.0011348500000000 ] - [ 0.0041811500000000, 0.0025777900000000, 0.0012189200000000 ] - [ 0.0034217300000000, 0.0019953100000000, 0.0011485400000000 ] - [ 0.0027831200000000, -0.0098344900000000, 0.0055606100000000 ] - [ -0.0060354500000000, -0.0032560100000000, 0.0018531400000000 ] - [ -0.0036191700000000, -0.0023046800000000, 0.0011238800000000 ] - [ -0.0039157600000000, -0.0022083900000000, 0.0012094800000000 ] - [ -0.0035120500000000, -0.0021574400000000, 0.0012180400000000 ] - [ -0.0039915500000000, -0.0023552500000000, 0.0011266300000000 ] - [ -0.0037336400000000, -0.0022634400000000, 0.0011954000000000 ] - [ -0.0038302400000000, -0.0022662200000000, 0.0011726000000000 ] - [ -0.0000621800000000, -0.0018335600000000, 0.0015821400000000 ] - [ -0.0000590400000000, -0.0021983200000000, -0.0019557200000000 ] - [ -0.0000117600000000, -0.0020449300000000, -0.0000290300000000 ] - [ -0.0000109600000000, -0.0019893300000000, -0.0003401800000000 ] - [ -0.0000433000000000, -0.0020443700000000, -0.0006666900000000 ] - [ -0.0000436200000000, -0.0019905100000000, 0.0002924800000000 ] - [ 0.0000033400000000, -0.0020033700000000, -0.0001890000000000 ] - [ 0.0000021400000000, -0.0020268300000000, -0.0001827100000000 ] - [ -0.0002243400000000, -0.0082063600000000, -0.0010157600000000 ] - [ -0.0002216500000000, -0.0050124900000000, 0.0003924800000000 ] - [ -0.0000313100000000, -0.0062057900000000, -0.0002695100000000 ] - [ -0.0000308000000000, -0.0070147700000000, -0.0003514800000000 ] - [ -0.0000026200000000, -0.0067934000000000, -0.0002408000000000 ] - [ -0.0000043700000000, -0.0064269100000000, -0.0003813200000000 ] - [ -0.0000014000000000, -0.0065774600000000, -0.0002944300000000 ] - [ -0.0000017000000000, -0.0066426800000000, -0.0003291800000000 ] - [ 0.0015198100000000, -0.0012627900000000, 0.0004948100000000 ] - [ 0.0099236300000000, 0.0050430100000000, -0.0030661500000000 ] - [ 0.0036381700000000, -0.0023107700000000, 0.0011396900000000 ] - [ 0.0039317000000000, -0.0022123600000000, 0.0012224900000000 ] - [ 0.0035646900000000, -0.0021659300000000, 0.0012227100000000 ] - [ 0.0040390100000000, -0.0023636100000000, 0.0011305400000000 ] - [ 0.0037226100000000, -0.0022555700000000, 0.0011752600000000 ] - [ 0.0038162800000000, -0.0022560300000000, 0.0011534800000000 ] - [ -0.0042873300000000, 0.0023617700000000, 0.0014036700000000 ] - [ -0.0034564800000000, 0.0022534800000000, 0.0009295500000000 ] - [ -0.0042312900000000, 0.0025913100000000, 0.0013944300000000 ] - [ -0.0031415700000000, 0.0017360000000000, 0.0008057200000000 ] - [ -0.0041155200000000, 0.0023533000000000, 0.0012137900000000 ] - [ -0.0032137900000000, 0.0021611600000000, 0.0009425000000000 ] - [ -0.0041275300000000, 0.0025230800000000, 0.0011972400000000 ] - [ -0.0033665800000000, 0.0019392700000000, 0.0011260400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0253812300000000, -0.0029937300000000 ] - [ 0.0000000000000000, 0.0000237800000000, -0.0010012000000000 ] - [ 0.0000000000000000, 0.0004223000000000, -0.0010814000000000 ] - [ 0.0000000000000000, 0.0002920500000000, -0.0010551300000000 ] - [ 0.0000000000000000, 0.0000118700000000, -0.0005318900000000 ] - [ 0.0000000000000000, 0.0003038300000000, -0.0010514400000000 ] - [ 0.0000000000000000, 0.0004055000000000, -0.0010292900000000 ] - [ 0.0000000000000000, 0.0002981300000000, -0.0010682500000000 ] - [ -0.0005471000000000, -0.0007292900000000, 0.0025805100000000 ] - [ -0.0007078200000000, -0.0004880200000000, 0.0022614100000000 ] - [ -0.0009215800000000, -0.0004725700000000, 0.0021040200000000 ] - [ -0.0009143000000000, -0.0006604500000000, 0.0021135100000000 ] - [ -0.0004211900000000, -0.0009974900000000, 0.0014323700000000 ] - [ -0.0008597800000000, -0.0006774400000000, 0.0018114500000000 ] - [ -0.0008430600000000, -0.0000488000000000, 0.0019943000000000 ] - [ -0.0009322300000000, -0.0006156000000000, 0.0020682000000000 ] - [ 0.0019512000000000, 0.0013042900000000, 0.0018887700000000 ] - [ 0.0009995700000000, 0.0004725200000000, 0.0020720000000000 ] - [ 0.0004503900000000, 0.0012871400000000, 0.0020018800000000 ] - [ 0.0008617900000000, 0.0008520300000000, 0.0021333800000000 ] - [ 0.0010741600000000, 0.0006798200000000, 0.0025539100000000 ] - [ 0.0007770500000000, 0.0005974300000000, 0.0020810300000000 ] - [ 0.0007779800000000, 0.0005612800000000, 0.0020844200000000 ] - [ 0.0008062600000000, 0.0006026200000000, 0.0020503800000000 ] - [ 0.0001955100000000, -0.0005302900000000, -0.0008851900000000 ] - [ -0.0001955100000000, -0.0005302900000000, -0.0008851900000000 ] - [ -0.0000688400000000, -0.0001604900000000, -0.0009967800000000 ] - [ 0.0000688400000000, -0.0001604900000000, -0.0009967800000000 ] - [ 0.0004616400000000, -0.0005329500000000, -0.0013605600000000 ] - [ -0.0004616400000000, -0.0005329500000000, -0.0013605600000000 ] - [ 0.0000101400000000, -0.0001634700000000, -0.0010783200000000 ] - [ -0.0000101400000000, -0.0001634700000000, -0.0010783200000000 ] - [ -0.0009995700000000, 0.0004725200000000, 0.0020720000000000 ] - [ -0.0019512000000000, 0.0013042900000000, 0.0018887700000000 ] - [ -0.0008617900000000, 0.0008520300000000, 0.0021333800000000 ] - [ -0.0004503900000000, 0.0012871400000000, 0.0020018800000000 ] - [ -0.0007770500000000, 0.0005974300000000, 0.0020810300000000 ] - [ -0.0010741600000000, 0.0006798200000000, 0.0025539100000000 ] - [ -0.0008062600000000, 0.0006026200000000, 0.0020503800000000 ] - [ -0.0007779800000000, 0.0005612800000000, 0.0020844200000000 ] - [ 0.0007078200000000, -0.0004880200000000, 0.0022614100000000 ] - [ 0.0005471000000000, -0.0007292900000000, 0.0025805100000000 ] - [ 0.0009143000000000, -0.0006604500000000, 0.0021135100000000 ] - [ 0.0009215800000000, -0.0004725700000000, 0.0021040200000000 ] - [ 0.0008597800000000, -0.0006774400000000, 0.0018114500000000 ] - [ 0.0004211900000000, -0.0009974900000000, 0.0014323700000000 ] - [ 0.0009322300000000, -0.0006156000000000, 0.0020682000000000 ] - [ 0.0008430600000000, -0.0000488000000000, 0.0019943000000000 ] - [ 0.0000000000000000, -0.0086854000000000, -0.0055915700000000 ] - [ 0.0000000000000000, -0.0091214700000000, -0.0048254600000000 ] - [ 0.0000000000000000, -0.0085609300000000, -0.0046888500000000 ] - [ 0.0000000000000000, -0.0088579800000000, -0.0048468800000000 ] - [ 0.0000000000000000, -0.0103217800000000, 0.0024911400000000 ] - [ 0.0000000000000000, -0.0091442800000000, -0.0051987500000000 ] - [ 0.0000000000000000, -0.0087416400000000, -0.0057463200000000 ] - [ 0.0000000000000000, -0.0088798800000000, -0.0050109100000000 ] - [ -0.0024759700000000, 0.0066823800000000, -0.0032841200000000 ] - [ 0.0024759700000000, 0.0066823800000000, -0.0032841200000000 ] - [ 0.0003840700000000, 0.0092149000000000, -0.0049936500000000 ] - [ -0.0003840700000000, 0.0092149000000000, -0.0049936500000000 ] - [ 0.0001952000000000, 0.0088871100000000, -0.0049669500000000 ] - [ -0.0001952000000000, 0.0088871100000000, -0.0049669500000000 ] - [ 0.0002164400000000, 0.0091097500000000, -0.0048790500000000 ] - [ -0.0002164400000000, 0.0091097500000000, -0.0048790500000000 ] - [ 0.0000000000000000, 0.0074429000000000, -0.0010205200000000 ] - [ 0.0000000000000000, 0.0068258200000000, -0.0004447900000000 ] - [ 0.0000000000000000, 0.0062275000000000, -0.0002226200000000 ] - [ 0.0000000000000000, 0.0065201100000000, -0.0002909000000000 ] - [ 0.0000000000000000, 0.0097084200000000, -0.0012146600000000 ] - [ 0.0000000000000000, 0.0067154400000000, -0.0002828500000000 ] - [ 0.0000000000000000, 0.0060571500000000, -0.0001649800000000 ] - [ 0.0000000000000000, 0.0064667100000000, -0.0002640400000000 ] - [ 0.0000000000000000, 0.0180060900000000, 0.0010495700000000 ] - [ 0.0000000000000000, 0.0020731700000000, 0.0000815400000000 ] - [ 0.0000000000000000, 0.0015994000000000, 0.0006145200000000 ] - [ 0.0000000000000000, 0.0019392400000000, -0.0000797100000000 ] - [ 0.0000000000000000, 0.0019681300000000, -0.0001861000000000 ] - [ 0.0000000000000000, 0.0020201600000000, -0.0003719200000000 ] - [ 0.0000000000000000, 0.0020321900000000, -0.0005018300000000 ] - [ 0.0000000000000000, 0.0020165700000000, -0.0003080500000000 ] - [ 0.0037067500000000, 0.0022233600000000, 0.0014504500000000 ] - [ 0.0037995200000000, 0.0023400800000000, 0.0011438600000000 ] - [ 0.0036491100000000, 0.0019692100000000, 0.0008993200000000 ] - [ 0.0036999100000000, 0.0021711400000000, 0.0011093400000000 ] - [ 0.0020590100000000, 0.0013914000000000, 0.0004235400000000 ] - [ 0.0039806200000000, 0.0023498300000000, 0.0012496500000000 ] - [ 0.0038469500000000, 0.0023295900000000, 0.0012554800000000 ] - [ 0.0037805300000000, 0.0022122400000000, 0.0012194400000000 ] - [ -0.0067760100000000, 0.0028096300000000, -0.0015137000000000 ] - [ -0.0044150100000000, -0.0025568800000000, 0.0013513100000000 ] - [ -0.0041553700000000, -0.0026028600000000, 0.0013585600000000 ] - [ -0.0036552700000000, -0.0021550400000000, 0.0011385600000000 ] - [ -0.0040609900000000, -0.0022432800000000, 0.0010954400000000 ] - [ -0.0036079100000000, -0.0021761100000000, 0.0010450900000000 ] - [ -0.0039513300000000, -0.0024920800000000, 0.0011627800000000 ] - [ -0.0036521100000000, -0.0022063300000000, 0.0011216700000000 ] - [ -0.0002057200000000, -0.0021181600000000, -0.0015241400000000 ] - [ 0.0002057200000000, -0.0021181600000000, -0.0015241400000000 ] - [ 0.0000069600000000, -0.0020429800000000, -0.0001006600000000 ] - [ -0.0000069600000000, -0.0020429800000000, -0.0001006600000000 ] - [ -0.0001037600000000, -0.0019171100000000, -0.0000888100000000 ] - [ 0.0001037600000000, -0.0019171100000000, -0.0000888100000000 ] - [ -0.0000496600000000, -0.0021175600000000, -0.0002618000000000 ] - [ 0.0000496600000000, -0.0021175600000000, -0.0002618000000000 ] - [ -0.0002823100000000, -0.0049977200000000, 0.0002421400000000 ] - [ 0.0002823100000000, -0.0049977200000000, 0.0002421400000000 ] - [ 0.0000146500000000, -0.0069538700000000, -0.0003589000000000 ] - [ -0.0000146500000000, -0.0069538700000000, -0.0003589000000000 ] - [ -0.0001091500000000, -0.0064163000000000, -0.0003907400000000 ] - [ 0.0001091500000000, -0.0064163000000000, -0.0003907400000000 ] - [ 0.0000085500000000, -0.0068155300000000, -0.0003961600000000 ] - [ -0.0000085500000000, -0.0068155300000000, -0.0003961600000000 ] - [ 0.0044150100000000, -0.0025568800000000, 0.0013513100000000 ] - [ 0.0067760100000000, 0.0028096300000000, -0.0015137000000000 ] - [ 0.0036552700000000, -0.0021550400000000, 0.0011385600000000 ] - [ 0.0041553700000000, -0.0026028600000000, 0.0013585600000000 ] - [ 0.0036079100000000, -0.0021761100000000, 0.0010450900000000 ] - [ 0.0040609900000000, -0.0022432800000000, 0.0010954400000000 ] - [ 0.0036521100000000, -0.0022063300000000, 0.0011216700000000 ] - [ 0.0039513300000000, -0.0024920800000000, 0.0011627800000000 ] - [ -0.0037995200000000, 0.0023400800000000, 0.0011438600000000 ] - [ -0.0037067500000000, 0.0022233600000000, 0.0014504500000000 ] - [ -0.0036999100000000, 0.0021711400000000, 0.0011093400000000 ] - [ -0.0036491100000000, 0.0019692100000000, 0.0008993200000000 ] - [ -0.0039806200000000, 0.0023498300000000, 0.0012496500000000 ] - [ -0.0020590100000000, 0.0013914000000000, 0.0004235400000000 ] - [ -0.0037805300000000, 0.0022122400000000, 0.0012194400000000 ] - [ -0.0038469500000000, 0.0023295900000000, 0.0012554800000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0252675500000000, 0.0004186100000000 ] - [ 0.0000000000000000, 0.0004739200000000, -0.0010991500000000 ] - [ 0.0000000000000000, 0.0000776800000000, -0.0010205200000000 ] - [ 0.0000000000000000, 0.0002095100000000, -0.0010449300000000 ] - [ 0.0000000000000000, 0.0004887900000000, -0.0015664400000000 ] - [ 0.0000000000000000, 0.0001995500000000, -0.0010422000000000 ] - [ 0.0000000000000000, 0.0000971600000000, -0.0010627900000000 ] - [ 0.0000000000000000, 0.0002033900000000, -0.0010269800000000 ] - [ -0.0011742000000000, -0.0005129900000000, 0.0015656500000000 ] - [ -0.0010161800000000, -0.0007540800000000, 0.0018869100000000 ] - [ -0.0008038500000000, -0.0007687600000000, 0.0020431300000000 ] - [ -0.0008112900000000, -0.0005836300000000, 0.0020335900000000 ] - [ -0.0013038100000000, -0.0002396100000000, 0.0027130000000000 ] - [ -0.0008620100000000, -0.0005651000000000, 0.0023318600000000 ] - [ -0.0008774300000000, -0.0011945500000000, 0.0021514700000000 ] - [ -0.0007893100000000, -0.0006253200000000, 0.0020774200000000 ] - [ -0.0002245900000000, -0.0000578400000000, 0.0022584100000000 ] - [ 0.0007260400000000, 0.0007685400000000, 0.0020700300000000 ] - [ 0.0012812500000000, -0.0000482600000000, 0.0021406300000000 ] - [ 0.0008605800000000, 0.0003920000000000, 0.0020103400000000 ] - [ 0.0006495000000000, 0.0005637000000000, 0.0015914500000000 ] - [ 0.0009431600000000, 0.0006442100000000, 0.0020675700000000 ] - [ 0.0009415500000000, 0.0006796300000000, 0.0020656000000000 ] - [ 0.0009133200000000, 0.0006374600000000, 0.0020978700000000 ] - [ -0.0001937800000000, 0.0000298700000000, -0.0012093900000000 ] - [ 0.0001937800000000, 0.0000298700000000, -0.0012093900000000 ] - [ 0.0000690900000000, -0.0003385000000000, -0.0010987900000000 ] - [ -0.0000690900000000, -0.0003385000000000, -0.0010987900000000 ] - [ -0.0004633000000000, 0.0000293600000000, -0.0007378700000000 ] - [ 0.0004633000000000, 0.0000293600000000, -0.0007378700000000 ] - [ -0.0000089500000000, -0.0003409800000000, -0.0010178900000000 ] - [ 0.0000089500000000, -0.0003409800000000, -0.0010178900000000 ] - [ -0.0007260400000000, 0.0007685400000000, 0.0020700300000000 ] - [ 0.0002245900000000, -0.0000578400000000, 0.0022584100000000 ] - [ -0.0008605800000000, 0.0003920000000000, 0.0020103400000000 ] - [ -0.0012812500000000, -0.0000482600000000, 0.0021406300000000 ] - [ -0.0009431600000000, 0.0006442100000000, 0.0020675700000000 ] - [ -0.0006495000000000, 0.0005637000000000, 0.0015914500000000 ] - [ -0.0009133200000000, 0.0006374600000000, 0.0020978700000000 ] - [ -0.0009415500000000, 0.0006796300000000, 0.0020656000000000 ] - [ 0.0010161800000000, -0.0007540800000000, 0.0018869100000000 ] - [ 0.0011742000000000, -0.0005129900000000, 0.0015656500000000 ] - [ 0.0008112900000000, -0.0005836300000000, 0.0020335900000000 ] - [ 0.0008038500000000, -0.0007687600000000, 0.0020431300000000 ] - [ 0.0008620100000000, -0.0005651000000000, 0.0023318600000000 ] - [ 0.0013038100000000, -0.0002396100000000, 0.0027130000000000 ] - [ 0.0007893100000000, -0.0006253200000000, 0.0020774200000000 ] - [ 0.0008774300000000, -0.0011945500000000, 0.0021514700000000 ] - [ 0.0000000000000000, -0.0092751900000000, -0.0043067700000000 ] - [ 0.0000000000000000, -0.0088004900000000, -0.0050705700000000 ] - [ 0.0000000000000000, -0.0093694500000000, -0.0052092900000000 ] - [ 0.0000000000000000, -0.0090688100000000, -0.0050490500000000 ] - [ 0.0000000000000000, -0.0075815600000000, -0.0123758900000000 ] - [ 0.0000000000000000, -0.0087795900000000, -0.0047019600000000 ] - [ 0.0000000000000000, -0.0091870500000000, -0.0041442300000000 ] - [ 0.0000000000000000, -0.0090492300000000, -0.0048822200000000 ] - [ 0.0024591100000000, 0.0112293300000000, -0.0066117200000000 ] - [ -0.0024591100000000, 0.0112293300000000, -0.0066117200000000 ] - [ -0.0003843200000000, 0.0087122300000000, -0.0049040500000000 ] - [ 0.0003843200000000, 0.0087122300000000, -0.0049040500000000 ] - [ -0.0001981400000000, 0.0090374000000000, -0.0049303800000000 ] - [ 0.0001981400000000, 0.0090374000000000, -0.0049303800000000 ] - [ -0.0002177000000000, 0.0088143700000000, -0.0050185700000000 ] - [ 0.0002177000000000, 0.0088143700000000, -0.0050185700000000 ] - [ 0.0000000000000000, 0.0058152700000000, 0.0004437800000000 ] - [ 0.0000000000000000, 0.0064091400000000, -0.0001860000000000 ] - [ 0.0000000000000000, 0.0069901800000000, -0.0003998000000000 ] - [ 0.0000000000000000, 0.0066958900000000, -0.0003327800000000 ] - [ 0.0000000000000000, 0.0035011500000000, 0.0005949400000000 ] - [ 0.0000000000000000, 0.0065251200000000, -0.0003439000000000 ] - [ 0.0000000000000000, 0.0072017000000000, -0.0004726100000000 ] - [ 0.0000000000000000, 0.0067739500000000, -0.0003656600000000 ] - [ 0.0000000000000000, -0.0132984700000000, -0.0010885200000000 ] - [ 0.0000000000000000, 0.0019585500000000, -0.0004308400000000 ] - [ 0.0000000000000000, 0.0024345800000000, -0.0009555000000000 ] - [ 0.0000000000000000, 0.0020888900000000, -0.0002710500000000 ] - [ 0.0000000000000000, 0.0020657000000000, -0.0001703400000000 ] - [ 0.0000000000000000, 0.0020131000000000, 0.0000119900000000 ] - [ 0.0000000000000000, 0.0019996900000000, 0.0001240500000000 ] - [ 0.0000000000000000, 0.0020163700000000, -0.0000723900000000 ] - [ 0.0038370100000000, 0.0022924600000000, 0.0008931500000000 ] - [ 0.0037401500000000, 0.0021747000000000, 0.0011974000000000 ] - [ 0.0039047100000000, 0.0025531900000000, 0.0014512700000000 ] - [ 0.0038535300000000, 0.0023481900000000, 0.0012361700000000 ] - [ 0.0054944800000000, 0.0031288500000000, 0.0019274900000000 ] - [ 0.0035530000000000, 0.0021596100000000, 0.0010954100000000 ] - [ 0.0036745300000000, 0.0021694900000000, 0.0010822500000000 ] - [ 0.0037565200000000, 0.0022948300000000, 0.0011234400000000 ] - [ -0.0006601400000000, -0.0073481900000000, 0.0039015600000000 ] - [ -0.0031607500000000, -0.0019713000000000, 0.0010051100000000 ] - [ -0.0033831700000000, -0.0019034400000000, 0.0009846500000000 ] - [ -0.0038813600000000, -0.0023518600000000, 0.0012053600000000 ] - [ -0.0034791600000000, -0.0022729500000000, 0.0012467400000000 ] - [ -0.0039355300000000, -0.0023382100000000, 0.0012969800000000 ] - [ -0.0035805500000000, -0.0020169300000000, 0.0011778200000000 ] - [ -0.0038806200000000, -0.0023046700000000, 0.0012192600000000 ] - [ 0.0002080000000000, -0.0019145200000000, 0.0011328200000000 ] - [ -0.0002080000000000, -0.0019145200000000, 0.0011328200000000 ] - [ -0.0000081600000000, -0.0019903400000000, -0.0002524000000000 ] - [ 0.0000081600000000, -0.0019903400000000, -0.0002524000000000 ] - [ 0.0001038800000000, -0.0021169500000000, -0.0002688500000000 ] - [ -0.0001038800000000, -0.0021169500000000, -0.0002688500000000 ] - [ 0.0000504300000000, -0.0019107500000000, -0.0000874700000000 ] - [ -0.0000504300000000, -0.0019107500000000, -0.0000874700000000 ] - [ 0.0002822500000000, -0.0082014000000000, -0.0008551800000000 ] - [ -0.0002822500000000, -0.0082014000000000, -0.0008551800000000 ] - [ -0.0000155200000000, -0.0062874600000000, -0.0002660400000000 ] - [ 0.0000155200000000, -0.0062874600000000, -0.0002660400000000 ] - [ 0.0001106600000000, -0.0068204200000000, -0.0002376400000000 ] - [ -0.0001106600000000, -0.0068204200000000, -0.0002376400000000 ] - [ -0.0000092000000000, -0.0064288800000000, -0.0002360500000000 ] - [ 0.0000092000000000, -0.0064288800000000, -0.0002360500000000 ] - [ 0.0031607500000000, -0.0019713000000000, 0.0010051100000000 ] - [ 0.0006601400000000, -0.0073481900000000, 0.0039015600000000 ] - [ 0.0038813600000000, -0.0023518600000000, 0.0012053600000000 ] - [ 0.0033831700000000, -0.0019034400000000, 0.0009846500000000 ] - [ 0.0039355300000000, -0.0023382100000000, 0.0012969800000000 ] - [ 0.0034791600000000, -0.0022729500000000, 0.0012467400000000 ] - [ 0.0038806200000000, -0.0023046700000000, 0.0012192600000000 ] - [ 0.0035805500000000, -0.0020169300000000, 0.0011778200000000 ] - [ -0.0037401500000000, 0.0021747000000000, 0.0011974000000000 ] - [ -0.0038370100000000, 0.0022924600000000, 0.0008931500000000 ] - [ -0.0038535300000000, 0.0023481900000000, 0.0012361700000000 ] - [ -0.0039047100000000, 0.0025531900000000, 0.0014512700000000 ] - [ -0.0035530000000000, 0.0021596100000000, 0.0010954100000000 ] - [ -0.0054944800000000, 0.0031288500000000, 0.0019274900000000 ] - [ -0.0037565200000000, 0.0022948300000000, 0.0011234400000000 ] - [ -0.0036745300000000, 0.0021694900000000, 0.0010822500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0015342500000000, -0.0209117700000000 ] - [ 0.0000000000000000, 0.0002995700000000, -0.0011439900000000 ] - [ 0.0000000000000000, 0.0002196400000000, -0.0012212400000000 ] - [ 0.0000000000000000, 0.0002458000000000, -0.0010726000000000 ] - [ 0.0000000000000000, 0.0007663000000000, 0.0000742600000000 ] - [ 0.0000000000000000, 0.0002490700000000, -0.0009952800000000 ] - [ 0.0000000000000000, 0.0002680100000000, -0.0009078300000000 ] - [ 0.0000000000000000, 0.0002318900000000, -0.0010183600000000 ] - [ -0.0018138300000000, -0.0000821900000000, 0.0025375600000000 ] - [ -0.0008933000000000, -0.0006397300000000, 0.0020379100000000 ] - [ -0.0010294000000000, -0.0011723700000000, 0.0021923000000000 ] - [ -0.0008399600000000, -0.0006465800000000, 0.0020545600000000 ] - [ -0.0000254600000000, -0.0010334700000000, 0.0025754700000000 ] - [ -0.0008357200000000, -0.0006164200000000, 0.0021599500000000 ] - [ -0.0007552000000000, -0.0003165100000000, 0.0020338300000000 ] - [ -0.0008455800000000, -0.0005744900000000, 0.0020843000000000 ] - [ 0.0010655300000000, 0.0006783700000000, 0.0010199500000000 ] - [ 0.0007733400000000, 0.0007511700000000, 0.0019713200000000 ] - [ 0.0007485100000000, 0.0005234400000000, 0.0018607700000000 ] - [ 0.0008292700000000, 0.0005259000000000, 0.0020212000000000 ] - [ 0.0004267600000000, 0.0004549200000000, 0.0027548700000000 ] - [ 0.0008813100000000, 0.0006099200000000, 0.0021483400000000 ] - [ 0.0008366600000000, 0.0006175000000000, 0.0022040100000000 ] - [ 0.0008850300000000, 0.0006213500000000, 0.0021068000000000 ] - [ -0.0005482400000000, 0.0000611300000000, -0.0009483500000000 ] - [ 0.0005482400000000, 0.0000611300000000, -0.0009483500000000 ] - [ -0.0001020300000000, -0.0002194900000000, -0.0010458200000000 ] - [ 0.0001020300000000, -0.0002194900000000, -0.0010458200000000 ] - [ 0.0003017300000000, -0.0004126600000000, -0.0009497400000000 ] - [ -0.0003017300000000, -0.0004126600000000, -0.0009497400000000 ] - [ 0.0000382800000000, -0.0003018900000000, -0.0010456800000000 ] - [ -0.0000382800000000, -0.0003018900000000, -0.0010456800000000 ] - [ -0.0007733400000000, 0.0007511700000000, 0.0019713200000000 ] - [ -0.0010655300000000, 0.0006783700000000, 0.0010199500000000 ] - [ -0.0008292700000000, 0.0005259000000000, 0.0020212000000000 ] - [ -0.0007485100000000, 0.0005234400000000, 0.0018607700000000 ] - [ -0.0008813100000000, 0.0006099200000000, 0.0021483400000000 ] - [ -0.0004267600000000, 0.0004549200000000, 0.0027548700000000 ] - [ -0.0008850300000000, 0.0006213500000000, 0.0021068000000000 ] - [ -0.0008366600000000, 0.0006175000000000, 0.0022040100000000 ] - [ 0.0008933000000000, -0.0006397300000000, 0.0020379100000000 ] - [ 0.0018138300000000, -0.0000821900000000, 0.0025375600000000 ] - [ 0.0008399600000000, -0.0006465800000000, 0.0020545600000000 ] - [ 0.0010294000000000, -0.0011723700000000, 0.0021923000000000 ] - [ 0.0008357200000000, -0.0006164200000000, 0.0021599500000000 ] - [ 0.0000254600000000, -0.0010334700000000, 0.0025754700000000 ] - [ 0.0008455800000000, -0.0005744900000000, 0.0020843000000000 ] - [ 0.0007552000000000, -0.0003165100000000, 0.0020338300000000 ] - [ 0.0000000000000000, -0.0162450800000000, -0.0024670400000000 ] - [ 0.0000000000000000, -0.0088322700000000, -0.0049221100000000 ] - [ 0.0000000000000000, -0.0089084400000000, -0.0047163600000000 ] - [ 0.0000000000000000, -0.0089679900000000, -0.0049619300000000 ] - [ 0.0000000000000000, -0.0077903000000000, -0.0025126800000000 ] - [ 0.0000000000000000, -0.0089968200000000, -0.0049013500000000 ] - [ 0.0000000000000000, -0.0090490900000000, -0.0049530400000000 ] - [ 0.0000000000000000, -0.0089997000000000, -0.0049283000000000 ] - [ 0.0011036600000000, 0.0105108500000000, -0.0054574400000000 ] - [ -0.0011036600000000, 0.0105108500000000, -0.0054574400000000 ] - [ 0.0000797000000000, 0.0089415100000000, -0.0052316900000000 ] - [ -0.0000797000000000, 0.0089415100000000, -0.0052316900000000 ] - [ -0.0002330300000000, 0.0089716800000000, -0.0045951500000000 ] - [ 0.0002330300000000, 0.0089716800000000, -0.0045951500000000 ] - [ -0.0002611400000000, 0.0089055100000000, -0.0047411600000000 ] - [ 0.0002611400000000, 0.0089055100000000, -0.0047411600000000 ] - [ 0.0000000000000000, 0.0110572600000000, 0.0116529300000000 ] - [ 0.0000000000000000, 0.0065029800000000, -0.0002219200000000 ] - [ 0.0000000000000000, 0.0067769800000000, -0.0002603500000000 ] - [ 0.0000000000000000, 0.0066273800000000, -0.0002995500000000 ] - [ 0.0000000000000000, 0.0059309800000000, -0.0014422200000000 ] - [ 0.0000000000000000, 0.0066419200000000, -0.0003625000000000 ] - [ 0.0000000000000000, 0.0066078300000000, -0.0003847700000000 ] - [ 0.0000000000000000, 0.0066590600000000, -0.0003424300000000 ] - [ 0.0000000000000000, 0.0086741900000000, 0.0008349500000000 ] - [ 0.0000000000000000, 0.0019932000000000, -0.0002457800000000 ] - [ 0.0000000000000000, 0.0021172500000000, -0.0000733900000000 ] - [ 0.0000000000000000, 0.0020354500000000, -0.0002152700000000 ] - [ 0.0000000000000000, 0.0020459800000000, -0.0030443700000000 ] - [ 0.0000000000000000, 0.0020250100000000, -0.0002016600000000 ] - [ 0.0000000000000000, 0.0020022100000000, -0.0004408700000000 ] - [ 0.0000000000000000, 0.0020220300000000, -0.0001634600000000 ] - [ 0.0056715500000000, 0.0032813500000000, 0.0018941000000000 ] - [ 0.0036597200000000, 0.0022129500000000, 0.0012051800000000 ] - [ 0.0038524200000000, 0.0019913600000000, 0.0011560900000000 ] - [ 0.0037728500000000, 0.0022748300000000, 0.0012029000000000 ] - [ 0.0027751200000000, 0.0017599200000000, 0.0005973800000000 ] - [ 0.0038133100000000, 0.0022464500000000, 0.0011374300000000 ] - [ 0.0037259400000000, 0.0023916900000000, 0.0010954100000000 ] - [ 0.0037802600000000, 0.0022806000000000, 0.0011487200000000 ] - [ -0.0018778400000000, -0.0049563500000000, 0.0030732300000000 ] - [ -0.0035740300000000, -0.0022004300000000, 0.0010686900000000 ] - [ -0.0038885800000000, -0.0023468400000000, 0.0013422400000000 ] - [ -0.0037947700000000, -0.0022864600000000, 0.0011939400000000 ] - [ -0.0034333400000000, -0.0022034000000000, 0.0008861100000000 ] - [ -0.0038364700000000, -0.0022897500000000, 0.0011876200000000 ] - [ -0.0034811300000000, -0.0020456300000000, 0.0009311000000000 ] - [ -0.0038389800000000, -0.0023001100000000, 0.0011864300000000 ] - [ 0.0002349900000000, -0.0021608500000000, 0.0007548700000000 ] - [ -0.0002349900000000, -0.0021608500000000, 0.0007548700000000 ] - [ 0.0000748400000000, -0.0019433900000000, 0.0001696000000000 ] - [ -0.0000748400000000, -0.0019433900000000, 0.0001696000000000 ] - [ -0.0001036100000000, -0.0019768300000000, -0.0006748200000000 ] - [ 0.0001036100000000, -0.0019768300000000, -0.0006748200000000 ] - [ -0.0000333100000000, -0.0020623300000000, -0.0004434700000000 ] - [ 0.0000333100000000, -0.0020623300000000, -0.0004434700000000 ] - [ 0.0000343000000000, -0.0072844000000000, -0.0004028000000000 ] - [ -0.0000343000000000, -0.0072844000000000, -0.0004028000000000 ] - [ 0.0000039200000000, -0.0064816900000000, -0.0002676800000000 ] - [ -0.0000039200000000, -0.0064816900000000, -0.0002676800000000 ] - [ 0.0000889900000000, -0.0067771400000000, -0.0004637500000000 ] - [ -0.0000889900000000, -0.0067771400000000, -0.0004637500000000 ] - [ 0.0000196000000000, -0.0066190300000000, -0.0003414600000000 ] - [ -0.0000196000000000, -0.0066190300000000, -0.0003414600000000 ] - [ 0.0035740300000000, -0.0022004300000000, 0.0010686900000000 ] - [ 0.0018778400000000, -0.0049563500000000, 0.0030732300000000 ] - [ 0.0037947700000000, -0.0022864600000000, 0.0011939400000000 ] - [ 0.0038885800000000, -0.0023468400000000, 0.0013422400000000 ] - [ 0.0038364700000000, -0.0022897500000000, 0.0011876200000000 ] - [ 0.0034333400000000, -0.0022034000000000, 0.0008861100000000 ] - [ 0.0038389800000000, -0.0023001100000000, 0.0011864300000000 ] - [ 0.0034811300000000, -0.0020456300000000, 0.0009311000000000 ] - [ -0.0036597200000000, 0.0022129500000000, 0.0012051800000000 ] - [ -0.0056715500000000, 0.0032813500000000, 0.0018941000000000 ] - [ -0.0037728500000000, 0.0022748300000000, 0.0012029000000000 ] - [ -0.0038524200000000, 0.0019913600000000, 0.0011560900000000 ] - [ -0.0038133100000000, 0.0022464500000000, 0.0011374300000000 ] - [ -0.0027751200000000, 0.0017599200000000, 0.0005973800000000 ] - [ -0.0037802600000000, 0.0022806000000000, 0.0011487200000000 ] - [ -0.0037259400000000, 0.0023916900000000, 0.0010954100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0018670800000000, 0.0197506800000000 ] - [ 0.0000000000000000, 0.0001991700000000, -0.0009569100000000 ] - [ 0.0000000000000000, 0.0002806900000000, -0.0008813100000000 ] - [ 0.0000000000000000, 0.0002577900000000, -0.0010269900000000 ] - [ 0.0000000000000000, -0.0002681700000000, -0.0021699700000000 ] - [ 0.0000000000000000, 0.0002559000000000, -0.0011010800000000 ] - [ 0.0000000000000000, 0.0002363900000000, -0.0011850700000000 ] - [ 0.0000000000000000, 0.0002700700000000, -0.0010792700000000 ] - [ 0.0000982100000000, -0.0011644900000000, 0.0016042100000000 ] - [ -0.0008322200000000, -0.0006003100000000, 0.0021097100000000 ] - [ -0.0006967600000000, -0.0000667100000000, 0.0019541600000000 ] - [ -0.0008863500000000, -0.0005989600000000, 0.0020928300000000 ] - [ -0.0016921600000000, -0.0002084900000000, 0.0015733900000000 ] - [ -0.0008874500000000, -0.0006252300000000, 0.0019837800000000 ] - [ -0.0009663400000000, -0.0009301300000000, 0.0021107200000000 ] - [ -0.0008786900000000, -0.0006683700000000, 0.0020622900000000 ] - [ 0.0006574000000000, 0.0005591100000000, 0.0031276600000000 ] - [ 0.0009510100000000, 0.0004885700000000, 0.0021701100000000 ] - [ 0.0009742900000000, 0.0007240800000000, 0.0022802100000000 ] - [ 0.0008904400000000, 0.0007188500000000, 0.0021232600000000 ] - [ 0.0012986100000000, 0.0007893400000000, 0.0013887100000000 ] - [ 0.0008384300000000, 0.0006307300000000, 0.0019979700000000 ] - [ 0.0008817600000000, 0.0006257000000000, 0.0019457400000000 ] - [ 0.0008343500000000, 0.0006216800000000, 0.0020387500000000 ] - [ 0.0005529800000000, -0.0005613700000000, -0.0011481800000000 ] - [ -0.0005529800000000, -0.0005613700000000, -0.0011481800000000 ] - [ 0.0001007400000000, -0.0002787500000000, -0.0010502800000000 ] - [ -0.0001007400000000, -0.0002787500000000, -0.0010502800000000 ] - [ -0.0003020800000000, -0.0000883500000000, -0.0011488100000000 ] - [ 0.0003020800000000, -0.0000883500000000, -0.0011488100000000 ] - [ -0.0000357700000000, -0.0001994700000000, -0.0010505200000000 ] - [ 0.0000357700000000, -0.0001994700000000, -0.0010505200000000 ] - [ -0.0009510100000000, 0.0004885700000000, 0.0021701100000000 ] - [ -0.0006574000000000, 0.0005591100000000, 0.0031276600000000 ] - [ -0.0008904400000000, 0.0007188500000000, 0.0021232600000000 ] - [ -0.0009742900000000, 0.0007240800000000, 0.0022802100000000 ] - [ -0.0008384300000000, 0.0006307300000000, 0.0019979700000000 ] - [ -0.0012986100000000, 0.0007893400000000, 0.0013887100000000 ] - [ -0.0008343500000000, 0.0006216800000000, 0.0020387500000000 ] - [ -0.0008817600000000, 0.0006257000000000, 0.0019457400000000 ] - [ 0.0008322200000000, -0.0006003100000000, 0.0021097100000000 ] - [ -0.0000982100000000, -0.0011644900000000, 0.0016042100000000 ] - [ 0.0008863500000000, -0.0005989600000000, 0.0020928300000000 ] - [ 0.0006967600000000, -0.0000667100000000, 0.0019541600000000 ] - [ 0.0008874500000000, -0.0006252300000000, 0.0019837800000000 ] - [ 0.0016921600000000, -0.0002084900000000, 0.0015733900000000 ] - [ 0.0008786900000000, -0.0006683700000000, 0.0020622900000000 ] - [ 0.0009663400000000, -0.0009301300000000, 0.0021107200000000 ] - [ 0.0000000000000000, -0.0016723000000000, -0.0074459100000000 ] - [ 0.0000000000000000, -0.0090915300000000, -0.0049744300000000 ] - [ 0.0000000000000000, -0.0090168200000000, -0.0051789700000000 ] - [ 0.0000000000000000, -0.0089579200000000, -0.0049341800000000 ] - [ 0.0000000000000000, -0.0100868300000000, -0.0074198100000000 ] - [ 0.0000000000000000, -0.0089224200000000, -0.0049973800000000 ] - [ 0.0000000000000000, -0.0088773300000000, -0.0049502600000000 ] - [ 0.0000000000000000, -0.0089257400000000, -0.0049632500000000 ] - [ -0.0011232900000000, 0.0074053100000000, -0.0044228700000000 ] - [ 0.0011232900000000, 0.0074053100000000, -0.0044228700000000 ] - [ -0.0000788600000000, 0.0089857100000000, -0.0046650500000000 ] - [ 0.0000788600000000, 0.0089857100000000, -0.0046650500000000 ] - [ 0.0002313500000000, 0.0089521100000000, -0.0052993300000000 ] - [ -0.0002313500000000, 0.0089521100000000, -0.0052993300000000 ] - [ 0.0002613100000000, 0.0090167600000000, -0.0051553300000000 ] - [ -0.0002613100000000, 0.0090167600000000, -0.0051553300000000 ] - [ 0.0000000000000000, 0.0022299200000000, -0.0130333500000000 ] - [ 0.0000000000000000, 0.0067193400000000, -0.0004034600000000 ] - [ 0.0000000000000000, 0.0064351000000000, -0.0003607900000000 ] - [ 0.0000000000000000, 0.0065976900000000, -0.0003275300000000 ] - [ 0.0000000000000000, 0.0072319200000000, 0.0008098500000000 ] - [ 0.0000000000000000, 0.0065710700000000, -0.0002535500000000 ] - [ 0.0000000000000000, 0.0066468000000000, -0.0002507600000000 ] - [ 0.0000000000000000, 0.0065638800000000, -0.0002807200000000 ] - [ 0.0000000000000000, -0.0045625200000000, -0.0012221400000000 ] - [ 0.0000000000000000, 0.0020398000000000, -0.0001365700000000 ] - [ 0.0000000000000000, 0.0019087000000000, -0.0002600300000000 ] - [ 0.0000000000000000, 0.0019919600000000, -0.0001549400000000 ] - [ 0.0000000000000000, 0.0019920200000000, 0.0026739500000000 ] - [ 0.0000000000000000, 0.0020090500000000, -0.0001746700000000 ] - [ 0.0000000000000000, 0.0020292200000000, 0.0000598500000000 ] - [ 0.0000000000000000, 0.0020100800000000, -0.0002078500000000 ] - [ 0.0018732300000000, 0.0012355900000000, 0.0004459000000000 ] - [ 0.0038905500000000, 0.0023081400000000, 0.0011391900000000 ] - [ 0.0037026200000000, 0.0025289700000000, 0.0011906700000000 ] - [ 0.0037731200000000, 0.0022383300000000, 0.0011380300000000 ] - [ 0.0047906400000000, 0.0027689400000000, 0.0017619600000000 ] - [ 0.0037438000000000, 0.0022773500000000, 0.0012163300000000 ] - [ 0.0038024600000000, 0.0021098800000000, 0.0012439200000000 ] - [ 0.0037716200000000, 0.0022333400000000, 0.0011996700000000 ] - [ -0.0056896600000000, 0.0004330000000000, -0.0007532200000000 ] - [ -0.0040130400000000, -0.0023340600000000, 0.0012919100000000 ] - [ -0.0036559600000000, -0.0021603400000000, 0.0010026900000000 ] - [ -0.0037475600000000, -0.0022210300000000, 0.0011520900000000 ] - [ -0.0041266000000000, -0.0023223000000000, 0.0014635600000000 ] - [ -0.0037231600000000, -0.0022334200000000, 0.0011608100000000 ] - [ -0.0040528800000000, -0.0024626200000000, 0.0014115500000000 ] - [ -0.0036944400000000, -0.0022091600000000, 0.0011548200000000 ] - [ -0.0002358500000000, -0.0018715500000000, -0.0011759800000000 ] - [ 0.0002358500000000, -0.0018715500000000, -0.0011759800000000 ] - [ -0.0000766600000000, -0.0020887100000000, -0.0005309900000000 ] - [ 0.0000766600000000, -0.0020887100000000, -0.0005309900000000 ] - [ 0.0001028700000000, -0.0020562000000000, 0.0002928800000000 ] - [ -0.0001028700000000, -0.0020562000000000, 0.0002928800000000 ] - [ 0.0000342900000000, -0.0019633000000000, 0.0000941800000000 ] - [ -0.0000342900000000, -0.0019633000000000, 0.0000941800000000 ] - [ -0.0000321000000000, -0.0059017800000000, -0.0002049900000000 ] - [ 0.0000321000000000, -0.0059017800000000, -0.0002049900000000 ] - [ -0.0000041400000000, -0.0067556700000000, -0.0003544600000000 ] - [ 0.0000041400000000, -0.0067556700000000, -0.0003544600000000 ] - [ -0.0000877500000000, -0.0064360300000000, -0.0001552000000000 ] - [ 0.0000877500000000, -0.0064360300000000, -0.0001552000000000 ] - [ -0.0000199800000000, -0.0066257000000000, -0.0002900300000000 ] - [ 0.0000199800000000, -0.0066257000000000, -0.0002900300000000 ] - [ 0.0040130400000000, -0.0023340600000000, 0.0012919100000000 ] - [ 0.0056896600000000, 0.0004330000000000, -0.0007532200000000 ] - [ 0.0037475600000000, -0.0022210300000000, 0.0011520900000000 ] - [ 0.0036559600000000, -0.0021603400000000, 0.0010026900000000 ] - [ 0.0037231600000000, -0.0022334200000000, 0.0011608100000000 ] - [ 0.0041266000000000, -0.0023223000000000, 0.0014635600000000 ] - [ 0.0036944400000000, -0.0022091600000000, 0.0011548200000000 ] - [ 0.0040528800000000, -0.0024626200000000, 0.0014115500000000 ] - [ -0.0038905500000000, 0.0023081400000000, 0.0011391900000000 ] - [ -0.0018732300000000, 0.0012355900000000, 0.0004459000000000 ] - [ -0.0037731200000000, 0.0022383300000000, 0.0011380300000000 ] - [ -0.0037026200000000, 0.0025289700000000, 0.0011906700000000 ] - [ -0.0037438000000000, 0.0022773500000000, 0.0012163300000000 ] - [ -0.0047906400000000, 0.0027689400000000, 0.0017619600000000 ] - [ -0.0037716200000000, 0.0022333400000000, 0.0011996700000000 ] - [ -0.0038024600000000, 0.0021098800000000, 0.0012439200000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0004609300000000, 0.0005657500000000, -0.0020036200000000 ] - [ 0.0004924300000000, 0.0004070300000000, -0.0010782600000000 ] - [ -0.0000551200000000, 0.0001922400000000, -0.0012146700000000 ] - [ 0.0000602400000000, 0.0001994900000000, -0.0010238000000000 ] - [ -0.0001971100000000, 0.0006931900000000, -0.0002162500000000 ] - [ 0.0002146400000000, 0.0002528800000000, -0.0010213800000000 ] - [ -0.0000336200000000, 0.0002681700000000, -0.0009415800000000 ] - [ 0.0000377100000000, 0.0001805200000000, -0.0010312700000000 ] - [ -0.0277528300000000, -0.0004038800000000, 0.0008581100000000 ] - [ -0.0007081400000000, -0.0005960700000000, 0.0020137700000000 ] - [ -0.0010496000000000, -0.0009958400000000, 0.0021971000000000 ] - [ -0.0007389600000000, -0.0006052700000000, 0.0020357600000000 ] - [ -0.0011171200000000, -0.0006630700000000, 0.0025471000000000 ] - [ -0.0007132700000000, -0.0005926800000000, 0.0020492100000000 ] - [ -0.0008594500000000, -0.0006314200000000, 0.0020916700000000 ] - [ -0.0007748300000000, -0.0005751300000000, 0.0020399800000000 ] - [ 0.0003322100000000, 0.0008329700000000, 0.0015034100000000 ] - [ 0.0010023300000000, 0.0006470400000000, 0.0020881300000000 ] - [ 0.0007542800000000, 0.0000507800000000, 0.0018117100000000 ] - [ 0.0009737000000000, 0.0006456700000000, 0.0021184100000000 ] - [ 0.0003341200000000, 0.0005327500000000, 0.0023412200000000 ] - [ 0.0010018500000000, 0.0006147600000000, 0.0021399500000000 ] - [ 0.0007542600000000, 0.0004330400000000, 0.0021222500000000 ] - [ 0.0009740300000000, 0.0006819600000000, 0.0021122800000000 ] - [ -0.0003617700000000, 0.0008380600000000, -0.0012530000000000 ] - [ 0.0005037100000000, -0.0001138700000000, -0.0009580400000000 ] - [ -0.0002255700000000, -0.0006704200000000, -0.0009343300000000 ] - [ 0.0002101900000000, -0.0002502700000000, -0.0010168800000000 ] - [ -0.0000821700000000, -0.0000399700000000, -0.0006089000000000 ] - [ 0.0000773400000000, -0.0003334900000000, -0.0010694900000000 ] - [ -0.0000244200000000, -0.0003334800000000, -0.0010245900000000 ] - [ 0.0000292600000000, -0.0003052700000000, -0.0010728700000000 ] - [ -0.0004833200000000, 0.0009438100000000, 0.0020043500000000 ] - [ -0.0008437800000000, 0.0005506300000000, 0.0015752500000000 ] - [ -0.0008366000000000, 0.0001570700000000, 0.0020440000000000 ] - [ -0.0008963600000000, 0.0006686800000000, 0.0019039000000000 ] - [ -0.0008441000000000, 0.0006811100000000, 0.0021041000000000 ] - [ -0.0004843600000000, 0.0004451100000000, 0.0023621600000000 ] - [ -0.0008959100000000, 0.0004830100000000, 0.0020304700000000 ] - [ -0.0008364300000000, 0.0006987600000000, 0.0021901500000000 ] - [ 0.0019205700000000, -0.0007246200000000, 0.0018976600000000 ] - [ 0.0021722200000000, -0.0004980800000000, 0.0020939600000000 ] - [ 0.0007929700000000, -0.0005928800000000, 0.0020458000000000 ] - [ 0.0010700400000000, -0.0010347700000000, 0.0022153100000000 ] - [ 0.0010259600000000, -0.0006960900000000, 0.0024661700000000 ] - [ 0.0007843300000000, -0.0005653200000000, 0.0020713500000000 ] - [ 0.0008268800000000, -0.0005671100000000, 0.0020802000000000 ] - [ 0.0008096100000000, -0.0006403800000000, 0.0020592000000000 ] - [ -0.0002322600000000, -0.0146498300000000, -0.0025063100000000 ] - [ 0.0002821700000000, -0.0087007200000000, -0.0050012800000000 ] - [ 0.0001902400000000, -0.0082226000000000, -0.0054502000000000 ] - [ 0.0005788300000000, -0.0091337000000000, -0.0051286400000000 ] - [ -0.0001965000000000, -0.0088296100000000, -0.0051212800000000 ] - [ 0.0001995600000000, -0.0088513300000000, -0.0048449400000000 ] - [ -0.0003333900000000, -0.0091158000000000, -0.0049669900000000 ] - [ 0.0002614200000000, -0.0090362100000000, -0.0048906600000000 ] - [ -0.0011757100000000, 0.0085303000000000, 0.0016206000000000 ] - [ 0.0002738400000000, 0.0091124500000000, -0.0052197900000000 ] - [ -0.0001983000000000, 0.0087993400000000, -0.0051998500000000 ] - [ 0.0001943000000000, 0.0089362800000000, -0.0050781600000000 ] - [ 0.0003652500000000, 0.0088850000000000, -0.0056490800000000 ] - [ 0.0005360400000000, 0.0088854200000000, -0.0048020800000000 ] - [ -0.0003702300000000, 0.0087371100000000, -0.0048770200000000 ] - [ 0.0003704000000000, 0.0089001200000000, -0.0048324200000000 ] - [ 0.0107137100000000, 0.0037116100000000, -0.0056826300000000 ] - [ -0.0001599200000000, 0.0062760300000000, -0.0001723700000000 ] - [ -0.0001201900000000, 0.0064681700000000, -0.0002125900000000 ] - [ -0.0000280500000000, 0.0067619000000000, -0.0003494800000000 ] - [ 0.0001512400000000, 0.0062454900000000, -0.0004066700000000 ] - [ -0.0001183000000000, 0.0064927500000000, -0.0003253400000000 ] - [ 0.0000238500000000, 0.0067394400000000, -0.0003830400000000 ] - [ -0.0000209600000000, 0.0067097800000000, -0.0003468000000000 ] - [ 0.0001326300000000, 0.0020027800000000, 0.0001289800000000 ] - [ -0.0001292300000000, 0.0019522300000000, -0.0003400700000000 ] - [ 0.0000677300000000, 0.0020933900000000, -0.0001553500000000 ] - [ -0.0000607500000000, 0.0020931700000000, -0.0002938100000000 ] - [ -0.0000378000000000, 0.0018199100000000, -0.0022747000000000 ] - [ -0.0000512500000000, 0.0020000400000000, -0.0000977400000000 ] - [ -0.0000717400000000, 0.0018121600000000, -0.0000656100000000 ] - [ -0.0000166700000000, 0.0020317700000000, -0.0000319200000000 ] - [ 0.0057487700000000, 0.0031703600000000, 0.0019718900000000 ] - [ 0.0033446500000000, 0.0020874800000000, 0.0010701600000000 ] - [ 0.0045516700000000, 0.0028197700000000, 0.0012424900000000 ] - [ 0.0034629600000000, 0.0021186800000000, 0.0010889100000000 ] - [ 0.0041215100000000, 0.0023312700000000, 0.0010996500000000 ] - [ 0.0034907400000000, 0.0021350200000000, 0.0010773900000000 ] - [ 0.0040919100000000, 0.0025439700000000, 0.0012112900000000 ] - [ 0.0035908900000000, 0.0021771000000000, 0.0011178300000000 ] - [ -0.0012756300000000, -0.0010613900000000, 0.0003535500000000 ] - [ -0.0042320200000000, -0.0024531900000000, 0.0013011600000000 ] - [ -0.0035786300000000, -0.0022227200000000, 0.0011987900000000 ] - [ -0.0040081700000000, -0.0023619300000000, 0.0012504800000000 ] - [ -0.0029961300000000, -0.0022337600000000, 0.0002991900000000 ] - [ -0.0041770900000000, -0.0024439100000000, 0.0012929000000000 ] - [ -0.0033646300000000, -0.0019908200000000, 0.0009599600000000 ] - [ -0.0040078300000000, -0.0023648800000000, 0.0012426200000000 ] - [ 0.0131343500000000, 0.0044639900000000, 0.0015028500000000 ] - [ -0.0001709500000000, -0.0020396200000000, 0.0001093400000000 ] - [ 0.0000957700000000, -0.0019926400000000, 0.0000819500000000 ] - [ -0.0000941200000000, -0.0019682800000000, -0.0000460100000000 ] - [ -0.0000404700000000, -0.0019837800000000, -0.0001393200000000 ] - [ -0.0000227800000000, -0.0020196300000000, -0.0004417700000000 ] - [ 0.0000121200000000, -0.0020186900000000, -0.0003110500000000 ] - [ -0.0000120500000000, -0.0020133800000000, -0.0003522200000000 ] - [ 0.0001464600000000, -0.0085161900000000, -0.0010318600000000 ] - [ -0.0000969000000000, -0.0066435400000000, -0.0002449500000000 ] - [ 0.0000406300000000, -0.0062732000000000, -0.0002440000000000 ] - [ -0.0000358500000000, -0.0065103600000000, -0.0002530900000000 ] - [ 0.0000680800000000, -0.0067577700000000, -0.0001324000000000 ] - [ -0.0001319400000000, -0.0066258000000000, -0.0003741900000000 ] - [ 0.0000440800000000, -0.0063065400000000, -0.0002352400000000 ] - [ -0.0000431300000000, -0.0065538100000000, -0.0003134700000000 ] - [ 0.0025117300000000, -0.0015842900000000, 0.0005828400000000 ] - [ 0.0037235900000000, -0.0022783300000000, 0.0012744200000000 ] - [ 0.0039279100000000, -0.0024398500000000, 0.0012369900000000 ] - [ 0.0036800900000000, -0.0021387800000000, 0.0012143300000000 ] - [ 0.0037557800000000, -0.0023268300000000, 0.0015116600000000 ] - [ 0.0031314600000000, -0.0021116200000000, 0.0008019200000000 ] - [ 0.0039176600000000, -0.0023595100000000, 0.0012271200000000 ] - [ 0.0034625000000000, -0.0020123500000000, 0.0009798900000000 ] - [ -0.0039859700000000, 0.0022368400000000, 0.0013018000000000 ] - [ -0.0052442300000000, 0.0031550900000000, 0.0016508200000000 ] - [ -0.0044093300000000, 0.0027548200000000, 0.0013597800000000 ] - [ -0.0037957100000000, 0.0018044500000000, 0.0012367000000000 ] - [ -0.0039290400000000, 0.0022444100000000, 0.0011610300000000 ] - [ -0.0036885300000000, 0.0022201000000000, 0.0010250900000000 ] - [ -0.0039763900000000, 0.0024806400000000, 0.0012012100000000 ] - [ -0.0036369300000000, 0.0021714700000000, 0.0010936500000000 ]- atom: 9 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0004609500000000, -0.0000641300000000, -0.0000899000000000 ] - [ -0.0004902800000000, 0.0000959000000000, -0.0010172400000000 ] - [ 0.0000563700000000, 0.0003093300000000, -0.0008817500000000 ] - [ -0.0000601500000000, 0.0003023100000000, -0.0010708000000000 ] - [ 0.0001996200000000, -0.0001902700000000, -0.0018829700000000 ] - [ -0.0002153100000000, 0.0002491900000000, -0.0010730400000000 ] - [ 0.0000343200000000, 0.0002344500000000, -0.0011527000000000 ] - [ -0.0000374300000000, 0.0003210100000000, -0.0010639000000000 ] - [ 0.0258651700000000, -0.0015327800000000, 0.0027759900000000 ] - [ -0.0010129900000000, -0.0006428800000000, 0.0021318600000000 ] - [ -0.0006720400000000, -0.0002420200000000, 0.0019483400000000 ] - [ -0.0009814200000000, -0.0006345500000000, 0.0021091200000000 ] - [ -0.0006006300000000, -0.0005751900000000, 0.0015996900000000 ] - [ -0.0010075500000000, -0.0006468600000000, 0.0020949000000000 ] - [ -0.0008602800000000, -0.0006077100000000, 0.0020532200000000 ] - [ -0.0009455200000000, -0.0006642500000000, 0.0021050600000000 ] - [ 0.0013870600000000, 0.0004083200000000, 0.0026496100000000 ] - [ 0.0007189300000000, 0.0005923800000000, 0.0020647500000000 ] - [ 0.0009659800000000, 0.0011893400000000, 0.0023398700000000 ] - [ 0.0007473000000000, 0.0005949400000000, 0.0020356400000000 ] - [ 0.0013894100000000, 0.0007064000000000, 0.0018119100000000 ] - [ 0.0007186900000000, 0.0006257900000000, 0.0020131900000000 ] - [ 0.0009661800000000, 0.0008084600000000, 0.0020326700000000 ] - [ 0.0007473500000000, 0.0005575300000000, 0.0020403700000000 ] - [ 0.0003614000000000, -0.0013390300000000, -0.0008444600000000 ] - [ -0.0005029000000000, -0.0003894100000000, -0.0011352400000000 ] - [ 0.0002251100000000, 0.0001626300000000, -0.0011601600000000 ] - [ -0.0002091500000000, -0.0002530300000000, -0.0010783000000000 ] - [ 0.0000828700000000, -0.0004652900000000, -0.0014821000000000 ] - [ -0.0000768300000000, -0.0001697200000000, -0.0010259800000000 ] - [ 0.0000249900000000, -0.0001702700000000, -0.0010701100000000 ] - [ -0.0000287200000000, -0.0001982000000000, -0.0010217500000000 ] - [ -0.0012345700000000, 0.0002973200000000, 0.0021398300000000 ] - [ -0.0008767100000000, 0.0006892600000000, 0.0025687600000000 ] - [ -0.0008833200000000, 0.0010814500000000, 0.0021013000000000 ] - [ -0.0008242500000000, 0.0005724900000000, 0.0022408600000000 ] - [ -0.0008769300000000, 0.0005583800000000, 0.0020411600000000 ] - [ -0.0012358000000000, 0.0007960300000000, 0.0017824400000000 ] - [ -0.0008241600000000, 0.0007581800000000, 0.0021140900000000 ] - [ -0.0008830800000000, 0.0005401600000000, 0.0019546200000000 ] - [ -0.0001885300000000, -0.0005131200000000, 0.0022548900000000 ] - [ -0.0004676800000000, -0.0007389500000000, 0.0020621500000000 ] - [ 0.0009286000000000, -0.0006462100000000, 0.0021072400000000 ] - [ 0.0006523400000000, -0.0002039000000000, 0.0019384400000000 ] - [ 0.0006945900000000, -0.0005421600000000, 0.0016895600000000 ] - [ 0.0009376900000000, -0.0006737700000000, 0.0020812400000000 ] - [ 0.0008943700000000, -0.0006716900000000, 0.0020730700000000 ] - [ 0.0009116300000000, -0.0005985500000000, 0.0020937200000000 ] - [ 0.0002277400000000, -0.0032763100000000, -0.0074035000000000 ] - [ -0.0002813000000000, -0.0092199500000000, -0.0049034600000000 ] - [ -0.0001588400000000, -0.0096948100000000, -0.0044448000000000 ] - [ -0.0005756000000000, -0.0087891400000000, -0.0047764500000000 ] - [ 0.0001970900000000, -0.0090917800000000, -0.0047828000000000 ] - [ -0.0001996800000000, -0.0090693300000000, -0.0050587700000000 ] - [ 0.0003345900000000, -0.0088056900000000, -0.0049378800000000 ] - [ -0.0002616900000000, -0.0088842200000000, -0.0050121400000000 ] - [ 0.0011930600000000, 0.0093985900000000, -0.0115220700000000 ] - [ -0.0002740700000000, 0.0088094100000000, -0.0046846000000000 ] - [ 0.0001982500000000, 0.0091222800000000, -0.0047045400000000 ] - [ -0.0001934200000000, 0.0089849000000000, -0.0048263900000000 ] - [ -0.0003943500000000, 0.0090271900000000, -0.0042517400000000 ] - [ -0.0005391200000000, 0.0090384400000000, -0.0051029600000000 ] - [ 0.0003708800000000, 0.0091833000000000, -0.0050274500000000 ] - [ -0.0003697200000000, 0.0090209500000000, -0.0050710800000000 ] - [ -0.0110624800000000, 0.0098008600000000, 0.0052433800000000 ] - [ 0.0001602100000000, 0.0069042300000000, -0.0004390200000000 ] - [ 0.0001204600000000, 0.0067071600000000, -0.0003972200000000 ] - [ 0.0000280700000000, 0.0064210500000000, -0.0002619300000000 ] - [ -0.0001507600000000, 0.0069372500000000, -0.0002042600000000 ] - [ 0.0001199600000000, 0.0066876600000000, -0.0002848000000000 ] - [ -0.0000213400000000, 0.0064465700000000, -0.0002298600000000 ] - [ 0.0000211000000000, 0.0064676700000000, -0.0002632600000000 ] - [ -0.0001312600000000, 0.0020290800000000, -0.0005394600000000 ] - [ 0.0001295700000000, 0.0020797500000000, -0.0000718800000000 ] - [ -0.0000669500000000, 0.0019383300000000, -0.0002479100000000 ] - [ 0.0000612500000000, 0.0019382000000000, -0.0001200000000000 ] - [ 0.0000362200000000, 0.0022133200000000, 0.0018703700000000 ] - [ 0.0000524600000000, 0.0020317100000000, -0.0003130300000000 ] - [ 0.0000736300000000, 0.0022221900000000, -0.0003481500000000 ] - [ 0.0000166300000000, 0.0020009900000000, -0.0003781400000000 ] - [ 0.0018301800000000, 0.0013649400000000, 0.0003909200000000 ] - [ 0.0042369000000000, 0.0024485000000000, 0.0012913200000000 ] - [ 0.0030153700000000, 0.0017790400000000, 0.0010896200000000 ] - [ 0.0041160400000000, 0.0024174500000000, 0.0012709500000000 ] - [ 0.0034578500000000, 0.0022053000000000, 0.0012610800000000 ] - [ 0.0040904800000000, 0.0024012600000000, 0.0012844300000000 ] - [ 0.0034853500000000, 0.0019885700000000, 0.0011480700000000 ] - [ 0.0039938300000000, 0.0023615700000000, 0.0012449800000000 ] - [ -0.0063082800000000, -0.0034784200000000, 0.0020064400000000 ] - [ -0.0033465800000000, -0.0020833900000000, 0.0010596600000000 ] - [ -0.0039971200000000, -0.0023111300000000, 0.0011615000000000 ] - [ -0.0035737500000000, -0.0021747800000000, 0.0011107000000000 ] - [ -0.0045760900000000, -0.0022885700000000, 0.0021289400000000 ] - [ -0.0034022500000000, -0.0020913600000000, 0.0010685600000000 ] - [ -0.0042169400000000, -0.0025467800000000, 0.0014018200000000 ] - [ -0.0035727200000000, -0.0021722200000000, 0.0011173200000000 ] - [ -0.0126895300000000, -0.0082120900000000, -0.0016220400000000 ] - [ 0.0001712700000000, -0.0019928600000000, -0.0005212800000000 ] - [ -0.0000944100000000, -0.0020402300000000, -0.0004881200000000 ] - [ 0.0000943100000000, -0.0020646600000000, -0.0003654200000000 ] - [ 0.0000416000000000, -0.0020491100000000, -0.0002813600000000 ] - [ 0.0000234300000000, -0.0020132000000000, 0.0000324900000000 ] - [ -0.0000105900000000, -0.0020134200000000, -0.0001022900000000 ] - [ 0.0000118000000000, -0.0020185400000000, -0.0000586700000000 ] - [ -0.0001462700000000, -0.0046673500000000, 0.0004180600000000 ] - [ 0.0000972300000000, -0.0065393800000000, -0.0003669600000000 ] - [ -0.0000393400000000, -0.0069126300000000, -0.0003690700000000 ] - [ 0.0000361500000000, -0.0066690800000000, -0.0003567600000000 ] - [ -0.0000670800000000, -0.0064187600000000, -0.0004777400000000 ] - [ 0.0001320900000000, -0.0065571000000000, -0.0002369400000000 ] - [ -0.0000425900000000, -0.0068715600000000, -0.0003745200000000 ] - [ 0.0000434400000000, -0.0066261900000000, -0.0002979700000000 ] - [ 0.0050684000000000, -0.0029541000000000, 0.0017781000000000 ] - [ 0.0038566900000000, -0.0022583800000000, 0.0010865800000000 ] - [ 0.0036504200000000, -0.0020940500000000, 0.0011232900000000 ] - [ 0.0039026700000000, -0.0023974400000000, 0.0011461200000000 ] - [ 0.0038327200000000, -0.0022166500000000, 0.0008553800000000 ] - [ 0.0044560100000000, -0.0024272000000000, 0.0015623000000000 ] - [ 0.0036655600000000, -0.0021779300000000, 0.0011343000000000 ] - [ 0.0041188100000000, -0.0025244900000000, 0.0013799200000000 ] - [ -0.0035939200000000, 0.0022998200000000, 0.0010599900000000 ] - [ -0.0023367700000000, 0.0013854400000000, 0.0007101800000000 ] - [ -0.0031753500000000, 0.0017840600000000, 0.0010012200000000 ] - [ -0.0037885200000000, 0.0027417300000000, 0.0011262000000000 ] - [ -0.0036496100000000, 0.0022930600000000, 0.0012003500000000 ] - [ -0.0038897500000000, 0.0023148100000000, 0.0013361900000000 ] - [ -0.0036066000000000, 0.0020563500000000, 0.0011616100000000 ] - [ -0.0039398500000000, 0.0023640100000000, 0.0012672200000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002363400000000, 0.0001431300000000, -0.0005063400000000 ] - [ 0.0002274000000000, 0.0003839800000000, -0.0010684200000000 ] - [ 0.0000750200000000, 0.0004001400000000, -0.0016014100000000 ] - [ -0.0000080400000000, 0.0002144200000000, -0.0010736500000000 ] - [ -0.0001323400000000, -0.0001308400000000, -0.0014610500000000 ] - [ -0.0000230000000000, 0.0001956600000000, -0.0010432300000000 ] - [ -0.0000319400000000, 0.0008250900000000, -0.0007432800000000 ] - [ -0.0000034800000000, 0.0002576000000000, -0.0010024200000000 ] - [ -0.0002124300000000, -0.0258128200000000, 0.0003709000000000 ] - [ -0.0008404900000000, -0.0007471200000000, 0.0020503500000000 ] - [ -0.0012372100000000, 0.0002262700000000, 0.0021580500000000 ] - [ -0.0008472900000000, -0.0004976000000000, 0.0020560200000000 ] - [ -0.0009043700000000, -0.0007721400000000, 0.0023361400000000 ] - [ -0.0008333400000000, -0.0006697100000000, 0.0021107500000000 ] - [ -0.0008736100000000, -0.0004579000000000, 0.0020506500000000 ] - [ -0.0008166300000000, -0.0005490700000000, 0.0020428400000000 ] - [ 0.0007753800000000, 0.0009218500000000, 0.0024128900000000 ] - [ 0.0008539300000000, 0.0007240700000000, 0.0021095500000000 ] - [ 0.0006736100000000, 0.0002996900000000, 0.0009832900000000 ] - [ 0.0009224300000000, 0.0005264800000000, 0.0020196500000000 ] - [ 0.0010746600000000, 0.0009207800000000, 0.0019023900000000 ] - [ 0.0008872300000000, 0.0007229500000000, 0.0020890300000000 ] - [ 0.0002922400000000, 0.0003008900000000, 0.0028186900000000 ] - [ 0.0008850100000000, 0.0005275800000000, 0.0021119500000000 ] - [ 0.0008587800000000, 0.0004350300000000, -0.0011072200000000 ] - [ -0.0003271900000000, -0.0003950200000000, -0.0011802900000000 ] - [ -0.0008624800000000, 0.0004153800000000, -0.0009472200000000 ] - [ 0.0005275000000000, -0.0000196100000000, -0.0009523800000000 ] - [ 0.0000243800000000, -0.0001908300000000, -0.0008818000000000 ] - [ -0.0000300800000000, -0.0002726500000000, -0.0010361800000000 ] - [ -0.0000703300000000, -0.0003072000000000, -0.0010457700000000 ] - [ 0.0000673400000000, -0.0002660100000000, -0.0010495900000000 ] - [ -0.0006862500000000, 0.0008620500000000, 0.0020789700000000 ] - [ -0.0009212400000000, 0.0007989300000000, 0.0024481400000000 ] - [ -0.0009395700000000, 0.0002653300000000, 0.0019449200000000 ] - [ -0.0007242500000000, 0.0005234200000000, 0.0015055700000000 ] - [ -0.0007909500000000, 0.0007964000000000, 0.0020742000000000 ] - [ -0.0011850900000000, 0.0008619700000000, 0.0019354500000000 ] - [ -0.0009065200000000, 0.0005265500000000, 0.0021642000000000 ] - [ -0.0004005100000000, 0.0002669200000000, 0.0023604100000000 ] - [ 0.0009664000000000, -0.0009798800000000, 0.0018117500000000 ] - [ 0.0007433000000000, -0.0017253000000000, 0.0020604900000000 ] - [ 0.0008352100000000, -0.0004768300000000, 0.0020590000000000 ] - [ 0.0012760300000000, 0.0002904500000000, 0.0020982000000000 ] - [ 0.0009374000000000, -0.0006906300000000, 0.0023704400000000 ] - [ 0.0008064000000000, -0.0007640400000000, 0.0021089900000000 ] - [ 0.0008084200000000, -0.0005386200000000, 0.0020426000000000 ] - [ 0.0008819600000000, -0.0004642800000000, 0.0020591700000000 ] - [ -0.0007339200000000, -0.0044999500000000, -0.0057032900000000 ] - [ 0.0000658000000000, -0.0089036300000000, -0.0050284800000000 ] - [ 0.0058863200000000, -0.0052513100000000, -0.0027474300000000 ] - [ -0.0000287500000000, -0.0088315400000000, -0.0048447200000000 ] - [ -0.0000568400000000, -0.0089485500000000, -0.0046773900000000 ] - [ 0.0000635600000000, -0.0089277700000000, -0.0048750500000000 ] - [ -0.0001246500000000, -0.0090354100000000, -0.0052380700000000 ] - [ 0.0000651500000000, -0.0090098900000000, -0.0049193500000000 ] - [ -0.0005467000000000, 0.0087270100000000, -0.0016391100000000 ] - [ 0.0000741800000000, 0.0088407000000000, -0.0048774400000000 ] - [ -0.0000769600000000, 0.0091241400000000, -0.0051760200000000 ] - [ 0.0000292900000000, 0.0090998900000000, -0.0051140400000000 ] - [ -0.0005764700000000, 0.0091577600000000, -0.0052047200000000 ] - [ 0.0001409000000000, 0.0087744700000000, -0.0049095800000000 ] - [ 0.0000409400000000, 0.0094422300000000, -0.0048667000000000 ] - [ -0.0000049400000000, 0.0092091300000000, -0.0048888000000000 ] - [ -0.0075792800000000, 0.0094903000000000, 0.0034023800000000 ] - [ -0.0000571900000000, 0.0065203100000000, -0.0002408100000000 ] - [ -0.0001647900000000, 0.0040204800000000, 0.0003723400000000 ] - [ 0.0000001000000000, 0.0065407900000000, -0.0002823300000000 ] - [ 0.0000319200000000, 0.0067301300000000, -0.0002959100000000 ] - [ -0.0000363700000000, 0.0065732100000000, -0.0003409800000000 ] - [ -0.0000002300000000, 0.0064843600000000, -0.0004185500000000 ] - [ -0.0000001100000000, 0.0066874300000000, -0.0003480700000000 ] - [ 0.0000468200000000, 0.0019250900000000, -0.0005848800000000 ] - [ -0.0000457400000000, 0.0019534400000000, -0.0002832200000000 ] - [ -0.0000279400000000, 0.0020636800000000, 0.0003076100000000 ] - [ -0.0000169800000000, 0.0020941400000000, -0.0002073200000000 ] - [ 0.0001836900000000, 0.0018776200000000, 0.0007834900000000 ] - [ -0.0000144200000000, 0.0019943000000000, -0.0000642300000000 ] - [ 0.0002013900000000, 0.0019674400000000, -0.0023222700000000 ] - [ -0.0000046200000000, 0.0020583400000000, -0.0002511200000000 ] - [ 0.0031205800000000, 0.0013486200000000, 0.0006913800000000 ] - [ 0.0037399600000000, 0.0021579400000000, 0.0011386000000000 ] - [ 0.0001829700000000, 0.0147541600000000, -0.0047332200000000 ] - [ 0.0036788600000000, 0.0023016800000000, 0.0011809000000000 ] - [ 0.0037066300000000, 0.0021168500000000, 0.0011922700000000 ] - [ 0.0036753400000000, 0.0021641300000000, 0.0011377800000000 ] - [ 0.0040819900000000, 0.0025442400000000, 0.0011037100000000 ] - [ 0.0037289800000000, 0.0022910700000000, 0.0011440900000000 ] - [ -0.0026587500000000, -0.0012852500000000, 0.0007289400000000 ] - [ -0.0037505500000000, -0.0021660800000000, 0.0011466600000000 ] - [ -0.0037768000000000, -0.0025100000000000, 0.0012295300000000 ] - [ -0.0039494100000000, -0.0023965800000000, 0.0012436900000000 ] - [ -0.0033028700000000, -0.0016536400000000, 0.0013401200000000 ] - [ -0.0037516800000000, -0.0022024400000000, 0.0011735600000000 ] - [ -0.0038275800000000, -0.0025884500000000, 0.0012018500000000 ] - [ -0.0039212900000000, -0.0023822600000000, 0.0012174500000000 ] - [ 0.0064995700000000, 0.0009887400000000, 0.0004975000000000 ] - [ 0.0000756700000000, -0.0018557300000000, -0.0002370700000000 ] - [ 0.0001012800000000, -0.0022182200000000, 0.0001007100000000 ] - [ -0.0001179600000000, -0.0021879300000000, -0.0000067300000000 ] - [ 0.0000380200000000, -0.0020847100000000, -0.0002802200000000 ] - [ 0.0000031600000000, -0.0019852100000000, -0.0002333300000000 ] - [ 0.0000148600000000, -0.0020513800000000, -0.0003116900000000 ] - [ -0.0000173800000000, -0.0020482900000000, -0.0002831000000000 ] - [ -0.0001214700000000, -0.0071554500000000, -0.0004782500000000 ] - [ 0.0000609600000000, -0.0064854100000000, -0.0003312800000000 ] - [ 0.0001245500000000, -0.0067203700000000, -0.0002534100000000 ] - [ -0.0000788800000000, -0.0067344700000000, -0.0002800000000000 ] - [ -0.0001340700000000, -0.0064009500000000, 0.0000740500000000 ] - [ 0.0000744900000000, -0.0063810000000000, -0.0001892600000000 ] - [ 0.0001857600000000, -0.0071869900000000, -0.0006435700000000 ] - [ -0.0001563100000000, -0.0069287800000000, -0.0004965700000000 ] - [ 0.0029180300000000, -0.0016491200000000, 0.0006169300000000 ] - [ 0.0037114800000000, -0.0019792700000000, 0.0011688100000000 ] - [ 0.0040014000000000, -0.0024745700000000, 0.0012625300000000 ] - [ 0.0037881000000000, -0.0024596300000000, 0.0012147300000000 ] - [ 0.0038827500000000, -0.0023274800000000, 0.0012658700000000 ] - [ 0.0036570800000000, -0.0019067400000000, 0.0011091300000000 ] - [ 0.0039596800000000, -0.0024324400000000, 0.0012305300000000 ] - [ 0.0037357900000000, -0.0025370000000000, 0.0011567100000000 ] - [ -0.0039212600000000, 0.0021760700000000, 0.0012001100000000 ] - [ -0.0023202300000000, 0.0010868800000000, 0.0006480300000000 ] - [ -0.0034805900000000, 0.0022994200000000, 0.0012321600000000 ] - [ -0.0056205700000000, 0.0032286900000000, 0.0019781000000000 ] - [ -0.0038174400000000, 0.0021948000000000, 0.0011720600000000 ] - [ -0.0035769900000000, 0.0020973500000000, 0.0011734600000000 ] - [ -0.0038241300000000, 0.0023894300000000, 0.0011368400000000 ] - [ -0.0039100000000000, 0.0023825500000000, 0.0010875900000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002385800000000, 0.0003573600000000, -0.0015881700000000 ] - [ -0.0002289300000000, 0.0001173400000000, -0.0010278900000000 ] - [ -0.0000748700000000, 0.0000996700000000, -0.0004934400000000 ] - [ 0.0000075900000000, 0.0002861500000000, -0.0010236300000000 ] - [ 0.0001334400000000, 0.0006283500000000, -0.0006351700000000 ] - [ 0.0000221900000000, 0.0003051000000000, -0.0010519100000000 ] - [ 0.0000308300000000, -0.0003259500000000, -0.0013541700000000 ] - [ 0.0000046900000000, 0.0002439400000000, -0.0010938600000000 ] - [ -0.0013418400000000, 0.0252841400000000, 0.0033154200000000 ] - [ -0.0008836100000000, -0.0004969300000000, 0.0020925500000000 ] - [ -0.0004838200000000, -0.0014646800000000, 0.0019861900000000 ] - [ -0.0008754400000000, -0.0007432300000000, 0.0020884700000000 ] - [ -0.0008154300000000, -0.0004693800000000, 0.0018079600000000 ] - [ -0.0008876600000000, -0.0005721200000000, 0.0020347200000000 ] - [ -0.0008484200000000, -0.0007832700000000, 0.0020915800000000 ] - [ -0.0009053400000000, -0.0006913100000000, 0.0021012100000000 ] - [ 0.0009467500000000, 0.0003200100000000, 0.0017412900000000 ] - [ 0.0008654900000000, 0.0005184200000000, 0.0020409300000000 ] - [ 0.0010484400000000, 0.0009433000000000, 0.0031724600000000 ] - [ 0.0007979600000000, 0.0007128400000000, 0.0021311700000000 ] - [ 0.0006486400000000, 0.0003201500000000, 0.0022481200000000 ] - [ 0.0008328700000000, 0.0005185600000000, 0.0020638300000000 ] - [ 0.0014303900000000, 0.0009432800000000, 0.0013274600000000 ] - [ 0.0008347000000000, 0.0007125600000000, 0.0020398400000000 ] - [ -0.0008479800000000, -0.0009303000000000, -0.0009872500000000 ] - [ 0.0003263000000000, -0.0001051500000000, -0.0009159500000000 ] - [ 0.0008684000000000, -0.0009228800000000, -0.0011470900000000 ] - [ -0.0005302100000000, -0.0004837000000000, -0.0011436000000000 ] - [ -0.0000246400000000, -0.0003125800000000, -0.0012146800000000 ] - [ 0.0000300400000000, -0.0002304600000000, -0.0010579900000000 ] - [ 0.0000708100000000, -0.0001931400000000, -0.0010510500000000 ] - [ -0.0000682200000000, -0.0002345300000000, -0.0010469800000000 ] - [ -0.0010359100000000, 0.0003796800000000, 0.0020648000000000 ] - [ -0.0007987100000000, 0.0004439000000000, 0.0016950600000000 ] - [ -0.0007810300000000, 0.0009753600000000, 0.0021979700000000 ] - [ -0.0009988000000000, 0.0007165000000000, 0.0026386500000000 ] - [ -0.0009300700000000, 0.0004439400000000, 0.0020697700000000 ] - [ -0.0005374500000000, 0.0003801300000000, 0.0022080300000000 ] - [ -0.0008122100000000, 0.0007167400000000, 0.0019784700000000 ] - [ -0.0013231900000000, 0.0009760900000000, 0.0017813000000000 ] - [ 0.0007533000000000, -0.0002613800000000, 0.0023396800000000 ] - [ 0.0009809900000000, 0.0004832900000000, 0.0020885600000000 ] - [ 0.0008876300000000, -0.0007626100000000, 0.0020949000000000 ] - [ 0.0004452600000000, -0.0015306700000000, 0.0020537800000000 ] - [ 0.0007826900000000, -0.0005505200000000, 0.0017828000000000 ] - [ 0.0009147600000000, -0.0004768800000000, 0.0020447600000000 ] - [ 0.0009128600000000, -0.0007016500000000, 0.0021082900000000 ] - [ 0.0008395800000000, -0.0007749400000000, 0.0020923900000000 ] - [ 0.0007153000000000, -0.0134350700000000, -0.0041832600000000 ] - [ -0.0000652200000000, -0.0090185500000000, -0.0048722700000000 ] - [ -0.0058898700000000, -0.0126910800000000, -0.0071558500000000 ] - [ 0.0000283700000000, -0.0090925200000000, -0.0050557200000000 ] - [ 0.0000551700000000, -0.0089756400000000, -0.0052203400000000 ] - [ -0.0000634700000000, -0.0089937700000000, -0.0050221200000000 ] - [ 0.0001254700000000, -0.0088878100000000, -0.0046619800000000 ] - [ -0.0000656800000000, -0.0089091200000000, -0.0049786200000000 ] - [ 0.0005573800000000, 0.0092005900000000, -0.0082720800000000 ] - [ -0.0000752500000000, 0.0090824800000000, -0.0050194800000000 ] - [ 0.0000780400000000, 0.0087987600000000, -0.0047245200000000 ] - [ -0.0000277700000000, 0.0088235600000000, -0.0047846300000000 ] - [ 0.0005570500000000, 0.0087432900000000, -0.0046841700000000 ] - [ -0.0001412400000000, 0.0091471300000000, -0.0049884100000000 ] - [ -0.0000415400000000, 0.0084755500000000, -0.0050331500000000 ] - [ 0.0000035600000000, 0.0087124300000000, -0.0050109500000000 ] - [ 0.0073794900000000, 0.0038071800000000, -0.0039566100000000 ] - [ 0.0000605100000000, 0.0066922900000000, -0.0003820500000000 ] - [ 0.0001628200000000, 0.0091849700000000, -0.0009912200000000 ] - [ -0.0000021500000000, 0.0066547200000000, -0.0003318400000000 ] - [ -0.0000322500000000, 0.0064701000000000, -0.0003196400000000 ] - [ 0.0000382300000000, 0.0066272500000000, -0.0002742000000000 ] - [ 0.0000029500000000, 0.0067254500000000, -0.0002003300000000 ] - [ -0.0000008900000000, 0.0065107800000000, -0.0002681900000000 ] - [ -0.0000479700000000, 0.0021085200000000, 0.0001905900000000 ] - [ 0.0000479100000000, 0.0020793200000000, -0.0001113000000000 ] - [ 0.0000286200000000, 0.0019672800000000, -0.0006918000000000 ] - [ 0.0000169100000000, 0.0019364600000000, -0.0001877700000000 ] - [ -0.0001813400000000, 0.0021510200000000, -0.0011706700000000 ] - [ 0.0000143000000000, 0.0020375800000000, -0.0003177400000000 ] - [ -0.0002001200000000, 0.0020653000000000, 0.0019409300000000 ] - [ 0.0000035400000000, 0.0019748400000000, -0.0001484600000000 ] - [ 0.0044450200000000, 0.0031783100000000, 0.0016597100000000 ] - [ 0.0038188400000000, 0.0023642200000000, 0.0012129800000000 ] - [ 0.0073360600000000, -0.0109603700000000, 0.0073370800000000 ] - [ 0.0038903800000000, 0.0022303300000000, 0.0011749300000000 ] - [ 0.0038601600000000, 0.0024143100000000, 0.0011646000000000 ] - [ 0.0038915100000000, 0.0023636800000000, 0.0012180200000000 ] - [ 0.0034774300000000, 0.0019767600000000, 0.0012503900000000 ] - [ 0.0038392700000000, 0.0022385500000000, 0.0012108400000000 ] - [ -0.0049302900000000, -0.0032582000000000, 0.0016363200000000 ] - [ -0.0038032800000000, -0.0023556400000000, 0.0012038000000000 ] - [ -0.0037857800000000, -0.0020135400000000, 0.0011235100000000 ] - [ -0.0036243600000000, -0.0021350100000000, 0.0011134400000000 ] - [ -0.0042557800000000, -0.0028708800000000, 0.0010883400000000 ] - [ -0.0038204100000000, -0.0023277800000000, 0.0011849700000000 ] - [ -0.0037341500000000, -0.0019377600000000, 0.0011516700000000 ] - [ -0.0036475100000000, -0.0021482500000000, 0.0011364400000000 ] - [ -0.0064228800000000, -0.0050459600000000, -0.0008590200000000 ] - [ -0.0000752600000000, -0.0021762100000000, -0.0001453200000000 ] - [ -0.0001023100000000, -0.0018146800000000, -0.0004889200000000 ] - [ 0.0001187500000000, -0.0018458300000000, -0.0003963900000000 ] - [ -0.0000375100000000, -0.0019494000000000, -0.0001179900000000 ] - [ -0.0000029400000000, -0.0020489100000000, -0.0001663600000000 ] - [ -0.0000142700000000, -0.0019800300000000, -0.0000777000000000 ] - [ 0.0000167900000000, -0.0019829000000000, -0.0001130600000000 ] - [ 0.0001205700000000, -0.0060227300000000, -0.0001306500000000 ] - [ -0.0000611900000000, -0.0067308900000000, -0.0002919300000000 ] - [ -0.0001252200000000, -0.0064879700000000, -0.0003642400000000 ] - [ 0.0000794300000000, -0.0064576400000000, -0.0003318100000000 ] - [ 0.0001321400000000, -0.0067918400000000, -0.0006862700000000 ] - [ -0.0000753200000000, -0.0068145800000000, -0.0004229700000000 ] - [ -0.0001869000000000, -0.0060162300000000, 0.0000276800000000 ] - [ 0.0001574200000000, -0.0062663800000000, -0.0001190500000000 ] - [ 0.0046671200000000, -0.0028901000000000, 0.0017432900000000 ] - [ 0.0038429400000000, -0.0025445100000000, 0.0011810600000000 ] - [ 0.0035601700000000, -0.0020483500000000, 0.0010911800000000 ] - [ 0.0037869400000000, -0.0020715800000000, 0.0011408200000000 ] - [ 0.0036855800000000, -0.0022025700000000, 0.0010856700000000 ] - [ 0.0039146700000000, -0.0026263600000000, 0.0012483900000000 ] - [ 0.0036012400000000, -0.0020931200000000, 0.0011225600000000 ] - [ 0.0038354000000000, -0.0019934500000000, 0.0011983800000000 ] - [ -0.0036351300000000, 0.0023495300000000, 0.0011499200000000 ] - [ -0.0052406300000000, 0.0034388300000000, 0.0017034400000000 ] - [ -0.0040917700000000, 0.0022293900000000, 0.0011227200000000 ] - [ -0.0019351500000000, 0.0012969300000000, 0.0003753500000000 ] - [ -0.0037472200000000, 0.0023354900000000, 0.0011847800000000 ] - [ -0.0039903200000000, 0.0024306800000000, 0.0011822100000000 ] - [ -0.0037448900000000, 0.0021375900000000, 0.0012190900000000 ] - [ -0.0036496400000000, 0.0021432200000000, 0.0012663000000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0006332200000000, 0.0007608600000000, -0.0005802600000000 ] - [ 0.0002393300000000, 0.0004373900000000, -0.0010851200000000 ] - [ -0.0000259400000000, 0.0002780600000000, -0.0009317800000000 ] - [ 0.0000184200000000, 0.0002900800000000, -0.0010682800000000 ] - [ 0.0009979200000000, -0.0003891800000000, -0.0005500500000000 ] - [ -0.0005363500000000, -0.0000100400000000, -0.0009606400000000 ] - [ 0.0000564700000000, 0.0001750200000000, -0.0010861200000000 ] - [ -0.0000556500000000, 0.0002468900000000, -0.0010386200000000 ] - [ -0.0019032500000000, -0.0021126300000000, -0.0205998700000000 ] - [ -0.0009220100000000, -0.0006412800000000, 0.0019891600000000 ] - [ -0.0007400100000000, -0.0005340100000000, 0.0018889700000000 ] - [ -0.0008976100000000, -0.0006365800000000, 0.0020554000000000 ] - [ -0.0003888400000000, -0.0003555900000000, 0.0031020500000000 ] - [ -0.0008843800000000, -0.0005822000000000, 0.0021599900000000 ] - [ -0.0008434500000000, -0.0006422100000000, 0.0021613400000000 ] - [ -0.0008932900000000, -0.0006504800000000, 0.0021080500000000 ] - [ 0.0005977800000000, 0.0007934400000000, 0.0021999700000000 ] - [ 0.0007979500000000, 0.0006089700000000, 0.0020650400000000 ] - [ 0.0008174700000000, -0.0001296000000000, 0.0024601400000000 ] - [ 0.0008275800000000, 0.0005844300000000, 0.0020682200000000 ] - [ 0.0014389300000000, 0.0002843400000000, 0.0021943300000000 ] - [ 0.0008507900000000, 0.0005856500000000, 0.0020642000000000 ] - [ 0.0011218700000000, 0.0017142400000000, 0.0024615400000000 ] - [ 0.0008216000000000, 0.0006750300000000, 0.0020697900000000 ] - [ -0.0000059600000000, -0.0000682100000000, -0.0021048300000000 ] - [ -0.0001434400000000, -0.0002533800000000, -0.0011491400000000 ] - [ 0.0001993100000000, -0.0001824500000000, -0.0012563900000000 ] - [ -0.0001995800000000, -0.0003143200000000, -0.0011011100000000 ] - [ 0.0000735900000000, -0.0007353300000000, -0.0003669000000000 ] - [ -0.0000206200000000, -0.0002599200000000, -0.0009752400000000 ] - [ 0.0000112700000000, -0.0002599900000000, -0.0009229000000000 ] - [ -0.0000091400000000, -0.0002301100000000, -0.0010174000000000 ] - [ -0.0005731100000000, 0.0007571100000000, 0.0020267500000000 ] - [ -0.0008294500000000, 0.0006188400000000, 0.0021896200000000 ] - [ -0.0007436000000000, 0.0003297800000000, 0.0020094100000000 ] - [ -0.0009065600000000, 0.0005276900000000, 0.0022544500000000 ] - [ -0.0013580000000000, 0.0002423100000000, 0.0021883600000000 ] - [ -0.0009335300000000, 0.0006153700000000, 0.0020253500000000 ] - [ -0.0010274600000000, 0.0011885700000000, 0.0022565600000000 ] - [ -0.0008903000000000, 0.0007463400000000, 0.0020120900000000 ] - [ 0.0010401100000000, -0.0008846600000000, 0.0011464400000000 ] - [ 0.0008466900000000, -0.0006358700000000, 0.0017426900000000 ] - [ 0.0008939400000000, -0.0006385500000000, 0.0019851400000000 ] - [ 0.0007252800000000, -0.0005962100000000, 0.0019836700000000 ] - [ 0.0004737100000000, -0.0003253800000000, 0.0027569400000000 ] - [ 0.0008661500000000, -0.0005872100000000, 0.0021842500000000 ] - [ 0.0008599300000000, -0.0006545400000000, 0.0021676200000000 ] - [ 0.0008768900000000, -0.0006379100000000, 0.0021088800000000 ] - [ 0.0007229600000000, -0.0069412600000000, -0.0055672900000000 ] - [ 0.0000014900000000, -0.0089462700000000, -0.0053064500000000 ] - [ -0.0020675900000000, -0.0091670900000000, -0.0055274600000000 ] - [ 0.0000138800000000, -0.0089922200000000, -0.0051334000000000 ] - [ 0.0001116800000000, -0.0091836000000000, -0.0045955000000000 ] - [ -0.0001609300000000, -0.0090896300000000, -0.0046844300000000 ] - [ 0.0003343400000000, -0.0088738100000000, -0.0046233900000000 ] - [ -0.0002196500000000, -0.0089048800000000, -0.0047742800000000 ] - [ 0.0008713400000000, 0.0094168200000000, -0.0022906600000000 ] - [ -0.0001513800000000, 0.0090586300000000, -0.0049510000000000 ] - [ 0.0000839300000000, 0.0088970700000000, -0.0049603400000000 ] - [ -0.0000693700000000, 0.0089626800000000, -0.0048945500000000 ] - [ -0.0062559100000000, 0.0052892000000000, -0.0024257600000000 ] - [ 0.0000364300000000, 0.0087316000000000, -0.0048643500000000 ] - [ 0.0001250700000000, 0.0091700000000000, -0.0047932100000000 ] - [ -0.0000963700000000, 0.0089149200000000, -0.0049698300000000 ] - [ -0.0044961700000000, 0.0078987700000000, 0.0019447500000000 ] - [ -0.0000260200000000, 0.0065085800000000, -0.0001638800000000 ] - [ 0.0000888300000000, 0.0068930900000000, -0.0004610200000000 ] - [ 0.0000022200000000, 0.0065853800000000, -0.0002871300000000 ] - [ -0.0001157700000000, 0.0069833700000000, -0.0005971100000000 ] - [ 0.0001222700000000, 0.0068589300000000, -0.0005259800000000 ] - [ -0.0000121700000000, 0.0066630900000000, -0.0003397500000000 ] - [ 0.0000142500000000, 0.0066424300000000, -0.0003451000000000 ] - [ 0.0000760200000000, 0.0019582700000000, -0.0006374300000000 ] - [ -0.0000608300000000, 0.0019804200000000, -0.0005159000000000 ] - [ 0.0000405700000000, 0.0021095300000000, -0.0005673100000000 ] - [ -0.0000264600000000, 0.0020631100000000, -0.0003724200000000 ] - [ -0.0002553700000000, 0.0021719900000000, 0.0009471500000000 ] - [ 0.0001598400000000, 0.0021026700000000, 0.0003151000000000 ] - [ -0.0000682500000000, 0.0017488900000000, 0.0008046600000000 ] - [ 0.0000612800000000, 0.0019276400000000, 0.0001184900000000 ] - [ 0.0030169100000000, 0.0018948600000000, 0.0010109200000000 ] - [ 0.0038692900000000, 0.0022882600000000, 0.0012098500000000 ] - [ 0.0049953000000000, -0.0018855600000000, 0.0031785100000000 ] - [ 0.0038541000000000, 0.0022688600000000, 0.0012024500000000 ] - [ 0.0035534200000000, 0.0022552300000000, 0.0010091000000000 ] - [ 0.0038632200000000, 0.0023154800000000, 0.0011834000000000 ] - [ 0.0033578600000000, 0.0019876400000000, 0.0008562400000000 ] - [ 0.0038067700000000, 0.0022658100000000, 0.0011628800000000 ] - [ -0.0042184700000000, -0.0024793300000000, 0.0003383000000000 ] - [ -0.0037043300000000, -0.0022171600000000, 0.0011106500000000 ] - [ -0.0037770100000000, -0.0023118900000000, 0.0011066400000000 ] - [ -0.0036837900000000, -0.0022128900000000, 0.0011299400000000 ] - [ -0.0002596400000000, 0.0004356200000000, 0.0151689300000000 ] - [ -0.0036248100000000, -0.0022267700000000, 0.0011733900000000 ] - [ -0.0039470200000000, -0.0022191000000000, 0.0012857500000000 ] - [ -0.0036664400000000, -0.0021943900000000, 0.0011506800000000 ] - [ 0.0066767200000000, 0.0012827100000000, 0.0010414000000000 ] - [ 0.0000550300000000, -0.0020044500000000, -0.0001824800000000 ] - [ -0.0000596100000000, -0.0020180400000000, -0.0001350000000000 ] - [ 0.0000466900000000, -0.0020017300000000, -0.0002421600000000 ] - [ -0.0000379400000000, -0.0020470900000000, -0.0030712900000000 ] - [ 0.0000108500000000, -0.0020356700000000, -0.0002636600000000 ] - [ -0.0000025400000000, -0.0019921200000000, -0.0002988500000000 ] - [ 0.0000033100000000, -0.0020124100000000, -0.0001232800000000 ] - [ 0.0000298900000000, -0.0076714700000000, -0.0008846100000000 ] - [ 0.0000258200000000, -0.0067134500000000, -0.0003947500000000 ] - [ -0.0000364200000000, -0.0064787900000000, -0.0003748300000000 ] - [ 0.0000235500000000, -0.0066228900000000, -0.0003501600000000 ] - [ -0.0000391000000000, -0.0043845700000000, 0.0003937700000000 ] - [ 0.0000265700000000, -0.0064660000000000, -0.0002204500000000 ] - [ -0.0000050700000000, -0.0071028700000000, -0.0003340600000000 ] - [ 0.0000381800000000, -0.0065949700000000, -0.0002603000000000 ] - [ 0.0027793000000000, -0.0016482400000000, 0.0005360400000000 ] - [ 0.0040010100000000, -0.0023550500000000, 0.0011093600000000 ] - [ 0.0036291200000000, -0.0022288600000000, 0.0010980900000000 ] - [ 0.0038171700000000, -0.0022816900000000, 0.0011402400000000 ] - [ 0.0055654600000000, -0.0032881400000000, 0.0018443100000000 ] - [ 0.0034542900000000, -0.0022006500000000, 0.0011655600000000 ] - [ 0.0037594300000000, -0.0021197300000000, 0.0011816700000000 ] - [ 0.0038301600000000, -0.0022703500000000, 0.0012412800000000 ] - [ -0.0038909900000000, 0.0022893600000000, 0.0013188100000000 ] - [ -0.0034402300000000, 0.0020616800000000, 0.0009941200000000 ] - [ -0.0038301600000000, 0.0022518400000000, 0.0013560100000000 ] - [ -0.0031147900000000, 0.0018577000000000, 0.0009342400000000 ] - [ -0.0035279900000000, 0.0022677700000000, 0.0009644400000000 ] - [ -0.0038029700000000, 0.0022886000000000, 0.0011792000000000 ] - [ -0.0035167300000000, 0.0020579700000000, 0.0009396300000000 ] - [ -0.0037757400000000, 0.0022660100000000, 0.0011731200000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0006242000000000, -0.0002547700000000, -0.0015139200000000 ] - [ -0.0002372500000000, 0.0000633300000000, -0.0010114700000000 ] - [ 0.0000253700000000, 0.0002197800000000, -0.0011684700000000 ] - [ -0.0000178300000000, 0.0002106000000000, -0.0010285600000000 ] - [ -0.0010037000000000, 0.0008938600000000, -0.0015505600000000 ] - [ 0.0005387500000000, 0.0005119500000000, -0.0011358800000000 ] - [ -0.0000596000000000, 0.0003297600000000, -0.0010082100000000 ] - [ 0.0000585600000000, 0.0002556500000000, -0.0010584800000000 ] - [ 0.0000147000000000, 0.0008321200000000, 0.0258542600000000 ] - [ -0.0008004600000000, -0.0006002100000000, 0.0021511700000000 ] - [ -0.0009862200000000, -0.0007043500000000, 0.0022554200000000 ] - [ -0.0008236200000000, -0.0006036100000000, 0.0020864500000000 ] - [ -0.0013346500000000, -0.0008844500000000, 0.0010424700000000 ] - [ -0.0008371000000000, -0.0006577300000000, 0.0019802100000000 ] - [ -0.0008793900000000, -0.0006004800000000, 0.0019772200000000 ] - [ -0.0008280100000000, -0.0005905700000000, 0.0020309000000000 ] - [ 0.0011239300000000, 0.0004491900000000, 0.0019503800000000 ] - [ 0.0009245700000000, 0.0006331700000000, 0.0020853300000000 ] - [ 0.0009049200000000, 0.0013630400000000, 0.0016883000000000 ] - [ 0.0008969300000000, 0.0006569200000000, 0.0020811700000000 ] - [ 0.0002863400000000, 0.0009568300000000, 0.0019511300000000 ] - [ 0.0008722100000000, 0.0006560600000000, 0.0020855800000000 ] - [ 0.0005951200000000, -0.0004770800000000, 0.0016874900000000 ] - [ 0.0009015500000000, 0.0005654700000000, 0.0020811000000000 ] - [ 0.0000032000000000, -0.0004345100000000, 0.0000072600000000 ] - [ 0.0001445100000000, -0.0002493000000000, -0.0009478900000000 ] - [ -0.0002020900000000, -0.0003196000000000, -0.0008372300000000 ] - [ 0.0002014200000000, -0.0001902300000000, -0.0009963400000000 ] - [ -0.0000741800000000, 0.0002303100000000, -0.0017301900000000 ] - [ 0.0000211200000000, -0.0002448400000000, -0.0011228800000000 ] - [ -0.0000106900000000, -0.0002433500000000, -0.0011768800000000 ] - [ 0.0000084800000000, -0.0002748000000000, -0.0010819700000000 ] - [ -0.0011499500000000, 0.0004850500000000, 0.0021143000000000 ] - [ -0.0008922600000000, 0.0006231500000000, 0.0019513100000000 ] - [ -0.0009779800000000, 0.0009099700000000, 0.0021310400000000 ] - [ -0.0008195100000000, 0.0007139600000000, 0.0018838300000000 ] - [ -0.0003628000000000, 0.0009987400000000, 0.0019523700000000 ] - [ -0.0007922700000000, 0.0006281500000000, 0.0021152400000000 ] - [ -0.0006909300000000, 0.0000535600000000, 0.0018843200000000 ] - [ -0.0008310500000000, 0.0004942000000000, 0.0021322400000000 ] - [ 0.0006825500000000, -0.0003572000000000, 0.0030035300000000 ] - [ 0.0008779600000000, -0.0006075200000000, 0.0024060600000000 ] - [ 0.0008295900000000, -0.0006010900000000, 0.0021673800000000 ] - [ 0.0009999600000000, -0.0006416300000000, 0.0021662800000000 ] - [ 0.0012488100000000, -0.0009142300000000, 0.0013933100000000 ] - [ 0.0008551200000000, -0.0006514600000000, 0.0019646000000000 ] - [ 0.0008638400000000, -0.0005871800000000, 0.0019791600000000 ] - [ 0.0008428800000000, -0.0006032000000000, 0.0020379500000000 ] - [ -0.0007198200000000, -0.0110099000000000, -0.0043227000000000 ] - [ -0.0000001600000000, -0.0089748200000000, -0.0045974000000000 ] - [ 0.0020834800000000, -0.0087396700000000, -0.0043622500000000 ] - [ -0.0000127600000000, -0.0089319400000000, -0.0047694200000000 ] - [ -0.0001146300000000, -0.0087379900000000, -0.0053099400000000 ] - [ 0.0001616800000000, -0.0088333200000000, -0.0052193200000000 ] - [ -0.0003363900000000, -0.0090515500000000, -0.0052823000000000 ] - [ 0.0002200800000000, -0.0090167900000000, -0.0051288500000000 ] - [ -0.0008362000000000, 0.0085242000000000, -0.0076517400000000 ] - [ 0.0001520400000000, 0.0088678000000000, -0.0049526100000000 ] - [ -0.0000849800000000, 0.0090258300000000, -0.0049443200000000 ] - [ 0.0000710400000000, 0.0089606500000000, -0.0050127200000000 ] - [ 0.0062602400000000, 0.0126369900000000, -0.0074852900000000 ] - [ -0.0000357800000000, 0.0091951800000000, -0.0050412100000000 ] - [ -0.0001279700000000, 0.0087518400000000, -0.0051093000000000 ] - [ 0.0000982300000000, 0.0090095700000000, -0.0049315000000000 ] - [ 0.0044871800000000, 0.0053672100000000, -0.0026271500000000 ] - [ 0.0000269500000000, 0.0067268200000000, -0.0004686600000000 ] - [ -0.0000891600000000, 0.0063346900000000, -0.0001678300000000 ] - [ -0.0000037000000000, 0.0066500700000000, -0.0003432400000000 ] - [ 0.0001173800000000, 0.0062492900000000, -0.0000319000000000 ] - [ -0.0001221900000000, 0.0063644600000000, -0.0000991700000000 ] - [ 0.0000149400000000, 0.0065929500000000, -0.0002991500000000 ] - [ -0.0000152500000000, 0.0065933400000000, -0.0002860300000000 ] - [ -0.0000760800000000, 0.0020740800000000, 0.0002862700000000 ] - [ 0.0000616800000000, 0.0020517000000000, 0.0001511700000000 ] - [ -0.0000395500000000, 0.0019226700000000, 0.0002372200000000 ] - [ 0.0000260400000000, 0.0019683400000000, 0.0000182700000000 ] - [ 0.0002562000000000, 0.0018574200000000, -0.0013027900000000 ] - [ -0.0001608500000000, 0.0019288700000000, -0.0006694900000000 ] - [ 0.0000711300000000, 0.0022846100000000, -0.0011674200000000 ] - [ -0.0000624600000000, 0.0021066500000000, -0.0004743500000000 ] - [ 0.0045228900000000, 0.0026204500000000, 0.0013304900000000 ] - [ 0.0036701600000000, 0.0022225200000000, 0.0011318800000000 ] - [ 0.0025323000000000, 0.0063807400000000, -0.0008824500000000 ] - [ 0.0036830400000000, 0.0022454100000000, 0.0011392700000000 ] - [ 0.0039882400000000, 0.0022595700000000, 0.0013365400000000 ] - [ 0.0036846100000000, 0.0022010000000000, 0.0011627400000000 ] - [ 0.0041697200000000, 0.0025165800000000, 0.0014807500000000 ] - [ 0.0037325400000000, 0.0022476500000000, 0.0011790000000000 ] - [ -0.0033732900000000, -0.0020626300000000, 0.0019974400000000 ] - [ -0.0038524500000000, -0.0023048800000000, 0.0012392000000000 ] - [ -0.0037640600000000, -0.0022005200000000, 0.0012374600000000 ] - [ -0.0038813500000000, -0.0023135900000000, 0.0012223200000000 ] - [ -0.0072161200000000, -0.0049617000000000, -0.0136483800000000 ] - [ -0.0039394600000000, -0.0022976100000000, 0.0011792900000000 ] - [ -0.0035831400000000, -0.0022905800000000, 0.0010534300000000 ] - [ -0.0038853700000000, -0.0023266200000000, 0.0011945300000000 ] - [ -0.0065865300000000, -0.0052683200000000, -0.0014147500000000 ] - [ -0.0000558800000000, -0.0020265800000000, -0.0001890100000000 ] - [ 0.0000598500000000, -0.0020161800000000, -0.0002185100000000 ] - [ -0.0000470000000000, -0.0020328800000000, -0.0001361300000000 ] - [ 0.0000417800000000, -0.0019844400000000, 0.0026991100000000 ] - [ -0.0000105700000000, -0.0019978100000000, -0.0001153600000000 ] - [ 0.0000033700000000, -0.0020392200000000, -0.0000479600000000 ] - [ -0.0000043800000000, -0.0020189000000000, -0.0002430400000000 ] - [ -0.0000291300000000, -0.0055373000000000, 0.0002656900000000 ] - [ -0.0000259700000000, -0.0065050500000000, -0.0002305100000000 ] - [ 0.0000364400000000, -0.0067543600000000, -0.0002534200000000 ] - [ -0.0000235100000000, -0.0065840200000000, -0.0002684800000000 ] - [ 0.0000381100000000, -0.0088432900000000, -0.0010230600000000 ] - [ -0.0000277000000000, -0.0067457000000000, -0.0003999300000000 ] - [ 0.0000056200000000, -0.0061388300000000, -0.0002987600000000 ] - [ -0.0000387200000000, -0.0066268400000000, -0.0003670400000000 ] - [ 0.0047846000000000, -0.0028781500000000, 0.0018177800000000 ] - [ 0.0035555900000000, -0.0021669300000000, 0.0012394500000000 ] - [ 0.0039142700000000, -0.0022841200000000, 0.0012469000000000 ] - [ 0.0037469000000000, -0.0022442400000000, 0.0012105000000000 ] - [ 0.0019806400000000, -0.0012304000000000, 0.0004986400000000 ] - [ 0.0041103300000000, -0.0023244800000000, 0.0011856700000000 ] - [ 0.0037749200000000, -0.0023910400000000, 0.0011584200000000 ] - [ 0.0037189500000000, -0.0022485700000000, 0.0011036000000000 ] - [ -0.0036485300000000, 0.0022244000000000, 0.0010231000000000 ] - [ -0.0041039200000000, 0.0024528400000000, 0.0013485200000000 ] - [ -0.0037093200000000, 0.0022607900000000, 0.0009854900000000 ] - [ -0.0044247000000000, 0.0026556500000000, 0.0014102200000000 ] - [ -0.0040207800000000, 0.0022509900000000, 0.0013838700000000 ] - [ -0.0037344400000000, 0.0022221600000000, 0.0011631900000000 ] - [ -0.0040262700000000, 0.0024551200000000, 0.0014043700000000 ] - [ -0.0037476700000000, 0.0022392200000000, 0.0011632400000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002735300000000, 0.0002441500000000, -0.0010693800000000 ] - [ 0.0004715700000000, 0.0002506200000000, -0.0010465200000000 ] - [ -0.0010242300000000, 0.0002510000000000, -0.0010470100000000 ] - [ 0.0006350400000000, 0.0002507900000000, -0.0010475000000000 ] - [ -0.0002776100000000, 0.0002567900000000, -0.0010381500000000 ] - [ 0.0002972200000000, 0.0002493400000000, -0.0010479400000000 ] - [ -0.0005052000000000, 0.0002488700000000, -0.0010473200000000 ] - [ 0.0004339400000000, 0.0002505900000000, -0.0010472300000000 ] - [ -0.0010987900000000, -0.0013409800000000, 0.0027970200000000 ] - [ -0.0005780500000000, -0.0005561200000000, 0.0020719200000000 ] - [ -0.0006817400000000, 0.0052908700000000, -0.0000102800000000 ] - [ -0.0002837200000000, -0.0006462200000000, 0.0020848000000000 ] - [ -0.0010581500000000, -0.0006739600000000, 0.0021868300000000 ] - [ -0.0006605200000000, -0.0005569400000000, 0.0019111700000000 ] - [ -0.0011943600000000, -0.0007458100000000, 0.0024086100000000 ] - [ -0.0005990800000000, -0.0005549800000000, 0.0018520100000000 ] - [ 0.0012436100000000, 0.0000563000000000, 0.0083581600000000 ] - [ 0.0013973800000000, 0.0007609200000000, 0.0020425100000000 ] - [ 0.0004894800000000, 0.0006623200000000, 0.0019488400000000 ] - [ 0.0012304900000000, 0.0006160900000000, 0.0021744600000000 ] - [ -0.0003390800000000, 0.0000673200000000, 0.0012175000000000 ] - [ 0.0011349600000000, 0.0006962700000000, 0.0022284500000000 ] - [ 0.0006624300000000, 0.0005423700000000, 0.0019924900000000 ] - [ 0.0010544600000000, 0.0006474200000000, 0.0021473900000000 ] - [ 0.0058929800000000, -0.0027366400000000, -0.0021694100000000 ] - [ 0.0058392000000000, 0.0021976800000000, 0.0000575200000000 ] - [ -0.0000182300000000, 0.0001324100000000, -0.0011270100000000 ] - [ -0.0000179700000000, -0.0006347100000000, -0.0009693500000000 ] - [ -0.0000353500000000, -0.0000550300000000, -0.0008134800000000 ] - [ -0.0000324500000000, -0.0004468700000000, -0.0012792900000000 ] - [ 0.0000138200000000, -0.0000348900000000, -0.0007857600000000 ] - [ 0.0000137700000000, -0.0004684600000000, -0.0013085800000000 ] - [ -0.0003219200000000, 0.0004803800000000, 0.0021095400000000 ] - [ -0.0004850800000000, 0.0011858400000000, -0.0041591100000000 ] - [ -0.0004902300000000, 0.0006238000000000, 0.0019745500000000 ] - [ -0.0012311900000000, 0.0005794800000000, 0.0021995000000000 ] - [ -0.0005873400000000, 0.0005474100000000, 0.0019183200000000 ] - [ -0.0020299700000000, 0.0011737600000000, 0.0029204800000000 ] - [ -0.0006665700000000, 0.0005923900000000, 0.0020015300000000 ] - [ -0.0010589400000000, 0.0006987200000000, 0.0021568200000000 ] - [ 0.0011417900000000, -0.0006858600000000, 0.0020750400000000 ] - [ 0.0006378800000000, 0.0001069100000000, 0.0013578900000000 ] - [ 0.0014380900000000, -0.0005895900000000, 0.0020625400000000 ] - [ 0.0010309800000000, -0.0064837200000000, 0.0041451200000000 ] - [ 0.0010601500000000, -0.0006827000000000, 0.0022381300000000 ] - [ 0.0006635700000000, -0.0005640900000000, 0.0019625600000000 ] - [ 0.0011210300000000, -0.0006837400000000, 0.0022965000000000 ] - [ 0.0005262700000000, -0.0004959100000000, 0.0017423600000000 ] - [ -0.2434500900000000, -0.0119393900000000, -0.0069975200000000 ] - [ 0.0023061000000000, -0.0089681000000000, -0.0049575400000000 ] - [ 0.0001612900000000, -0.0089529300000000, -0.0049538600000000 ] - [ 0.0006910700000000, -0.0089597500000000, -0.0049519700000000 ] - [ 0.0004156200000000, -0.0089555300000000, -0.0049407000000000 ] - [ 0.0006998600000000, -0.0089602400000000, -0.0049510500000000 ] - [ -0.0005552800000000, -0.0089599400000000, -0.0049512800000000 ] - [ 0.0005279900000000, -0.0089591900000000, -0.0049512200000000 ] - [ -0.0000014600000000, 0.0075663300000000, -0.0043840700000000 ] - [ 0.0000050900000000, 0.0103389400000000, -0.0055016600000000 ] - [ 0.0012396300000000, 0.0096444200000000, -0.0044587300000000 ] - [ 0.0012342600000000, 0.0082816700000000, -0.0054361600000000 ] - [ -0.0000010900000000, 0.0075302800000000, -0.0052244400000000 ] - [ 0.0000041100000000, 0.0103652400000000, -0.0046844900000000 ] - [ 0.0012372300000000, 0.0093361800000000, -0.0050937400000000 ] - [ 0.0012382700000000, 0.0085860400000000, -0.0048107100000000 ] - [ 0.0150429500000000, 0.0068614700000000, -0.0002831900000000 ] - [ -0.0001853700000000, 0.0065932700000000, -0.0003065000000000 ] - [ 0.0010549700000000, 0.0065743300000000, -0.0003021500000000 ] - [ -0.0002634500000000, 0.0065865300000000, -0.0003040100000000 ] - [ 0.0001060900000000, 0.0065893800000000, -0.0003076400000000 ] - [ -0.0001491300000000, 0.0065900200000000, -0.0003046900000000 ] - [ 0.0002428400000000, 0.0065905800000000, -0.0003056000000000 ] - [ -0.0001920500000000, 0.0065863000000000, -0.0003041900000000 ] - [ 0.0010621900000000, 0.0020209100000000, -0.0002207000000000 ] - [ -0.0002085300000000, 0.0020165900000000, -0.0002079200000000 ] - [ 0.0002145800000000, 0.0020159000000000, -0.0002054300000000 ] - [ -0.0002224700000000, 0.0020160700000000, -0.0002099800000000 ] - [ 0.0181367700000000, 0.0021186400000000, 0.0000717800000000 ] - [ -0.0000887000000000, 0.0020155500000000, -0.0002013800000000 ] - [ 0.0001707300000000, 0.0020165600000000, -0.0002034800000000 ] - [ -0.0001299900000000, 0.0020169800000000, -0.0002077900000000 ] - [ 0.1047438100000000, 0.0505388000000000, 0.0340129800000000 ] - [ 0.0014079000000000, 0.0015012000000000, 0.0006801100000000 ] - [ 0.0041771500000000, 0.0023447400000000, 0.0012388700000000 ] - [ 0.0031471100000000, 0.0019985500000000, 0.0009421500000000 ] - [ 0.0041175200000000, 0.0024499900000000, 0.0008993000000000 ] - [ 0.0031973600000000, 0.0019910900000000, 0.0010214400000000 ] - [ 0.0042998700000000, 0.0024982200000000, 0.0013136500000000 ] - [ 0.0033032900000000, 0.0020578200000000, 0.0010569500000000 ] - [ -0.0026876600000000, -0.0018612400000000, 0.0009442200000000 ] - [ -0.0045462800000000, -0.0025957500000000, 0.0014401200000000 ] - [ -0.0046804500000000, -0.0037776900000000, 0.0004665000000000 ] - [ -0.0047700200000000, -0.0026400000000000, 0.0015388900000000 ] - [ -0.0031238700000000, -0.0019496100000000, 0.0010665500000000 ] - [ -0.0042855300000000, -0.0024501800000000, 0.0012670600000000 ] - [ -0.0042871000000000, -0.0029005700000000, 0.0023611100000000 ] - [ -0.0043678100000000, -0.0025436200000000, 0.0012465200000000 ] - [ 0.0002150700000000, -0.0014894400000000, -0.0008120600000000 ] - [ 0.0002141400000000, -0.0025345000000000, 0.0003849000000000 ] - [ -0.0003217700000000, -0.0026480200000000, -0.0010943600000000 ] - [ -0.0003157900000000, -0.0013986000000000, 0.0006705000000000 ] - [ 0.0000269800000000, -0.0019744200000000, 0.0001274900000000 ] - [ 0.0000256500000000, -0.0020589400000000, -0.0005395600000000 ] - [ -0.0000598000000000, -0.0020251400000000, 0.0000436800000000 ] - [ -0.0000600500000000, -0.0020082000000000, -0.0004649000000000 ] - [ -0.0006313000000000, -0.0051301600000000, -0.0007942000000000 ] - [ -0.0006269900000000, -0.0080362300000000, 0.0001739300000000 ] - [ -0.0000267800000000, -0.0077256500000000, -0.0006642500000000 ] - [ -0.0000267600000000, -0.0054512100000000, 0.0000535800000000 ] - [ 0.0000068800000000, -0.0054617700000000, 0.0008945000000000 ] - [ 0.0000110300000000, -0.0077017500000000, -0.0014863900000000 ] - [ 0.0000011300000000, -0.0070311700000000, -0.0003545700000000 ] - [ 0.0000007500000000, -0.0061393600000000, -0.0002536200000000 ] - [ 0.0030392000000000, -0.0019433200000000, 0.0009206600000000 ] - [ 0.0048742200000000, -0.0026727800000000, 0.0014182300000000 ] - [ 0.0028171500000000, -0.0019004200000000, 0.0008230700000000 ] - [ 0.0029104600000000, -0.0007701800000000, 0.0018834400000000 ] - [ 0.0033019500000000, -0.0020884500000000, 0.0010971500000000 ] - [ 0.0044434700000000, -0.0025857500000000, 0.0012861100000000 ] - [ 0.0032241700000000, -0.0020011000000000, 0.0011190300000000 ] - [ 0.0032978100000000, -0.0016412600000000, 0.0000119300000000 ] - [ -0.0061928400000000, 0.0030425100000000, 0.0016854100000000 ] - [ 0.0936905000000000, -0.0433966100000000, -0.0298905600000000 ] - [ -0.0044383600000000, 0.0025418900000000, 0.0014209200000000 ] - [ -0.0033982100000000, 0.0021858400000000, 0.0011201000000000 ] - [ -0.0043849600000000, 0.0025469700000000, 0.0013417600000000 ] - [ -0.0034662700000000, 0.0020870900000000, 0.0014505400000000 ] - [ -0.0042850400000000, 0.0024831400000000, 0.0013074700000000 ] - [ -0.0032828100000000, 0.0020385600000000, 0.0010483900000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0005425800000000, -0.0082953200000000 ] - [ 0.0000000000000000, 0.0000912600000000, -0.0009175000000000 ] - [ 0.0000000000000000, 0.0006551800000000, -0.0009943200000000 ] - [ 0.0000000000000000, 0.0003559500000000, -0.0010541100000000 ] - [ 0.0000000000000000, -0.0011058200000000, 0.0000867900000000 ] - [ 0.0000000000000000, 0.0000694300000000, -0.0010846900000000 ] - [ 0.0000000000000000, 0.0004738400000000, -0.0011344400000000 ] - [ 0.0000000000000000, 0.0003316100000000, -0.0010841300000000 ] - [ -0.0065171100000000, 0.0038247700000000, 0.0041009400000000 ] - [ -0.0006036000000000, -0.0005633700000000, 0.0020881900000000 ] - [ -0.0001242800000000, 0.0031113300000000, 0.0018582600000000 ] - [ -0.0010343100000000, -0.0004902800000000, 0.0020454500000000 ] - [ -0.0007330500000000, -0.0006056400000000, 0.0018537200000000 ] - [ -0.0007524100000000, -0.0005872200000000, 0.0019463000000000 ] - [ -0.0010168000000000, -0.0006940000000000, 0.0021642000000000 ] - [ -0.0009359500000000, -0.0006706800000000, 0.0021297000000000 ] - [ 0.0007946600000000, 0.0008338300000000, 0.0057423700000000 ] - [ 0.0007860000000000, 0.0004342900000000, 0.0023051100000000 ] - [ 0.0006372100000000, 0.0011030600000000, 0.0018653800000000 ] - [ 0.0008007100000000, 0.0008689500000000, 0.0021214700000000 ] - [ 0.0004205900000000, 0.0003756700000000, 0.0016328400000000 ] - [ 0.0010117900000000, 0.0005003000000000, 0.0019814800000000 ] - [ 0.0006986500000000, 0.0007819400000000, 0.0021388000000000 ] - [ 0.0008356900000000, 0.0007572000000000, 0.0020751200000000 ] - [ 0.0024585100000000, -0.0025177900000000, -0.0025996500000000 ] - [ -0.0024585100000000, -0.0025177900000000, -0.0025996500000000 ] - [ -0.0002477400000000, 0.0000049300000000, -0.0010276600000000 ] - [ 0.0002477400000000, 0.0000049300000000, -0.0010276600000000 ] - [ -0.0000592000000000, -0.0003228700000000, -0.0010566700000000 ] - [ 0.0000592000000000, -0.0003228700000000, -0.0010566700000000 ] - [ -0.0000471200000000, -0.0001023300000000, -0.0009912000000000 ] - [ 0.0000471200000000, -0.0001023300000000, -0.0009912000000000 ] - [ -0.0007860000000000, 0.0004342900000000, 0.0023051100000000 ] - [ -0.0007946600000000, 0.0008338300000000, 0.0057423700000000 ] - [ -0.0008007100000000, 0.0008689500000000, 0.0021214700000000 ] - [ -0.0006372100000000, 0.0011030600000000, 0.0018653800000000 ] - [ -0.0010117900000000, 0.0005003000000000, 0.0019814800000000 ] - [ -0.0004205900000000, 0.0003756700000000, 0.0016328400000000 ] - [ -0.0008356900000000, 0.0007572000000000, 0.0020751200000000 ] - [ -0.0006986500000000, 0.0007819400000000, 0.0021388000000000 ] - [ 0.0006036000000000, -0.0005633700000000, 0.0020881900000000 ] - [ 0.0065171100000000, 0.0038247700000000, 0.0041009400000000 ] - [ 0.0010343100000000, -0.0004902800000000, 0.0020454500000000 ] - [ 0.0001242800000000, 0.0031113300000000, 0.0018582600000000 ] - [ 0.0007524100000000, -0.0005872200000000, 0.0019463000000000 ] - [ 0.0007330500000000, -0.0006056400000000, 0.0018537200000000 ] - [ 0.0009359500000000, -0.0006706800000000, 0.0021297000000000 ] - [ 0.0010168000000000, -0.0006940000000000, 0.0021642000000000 ] - [ 0.0000000000000000, -0.2502414600000000, -0.0031649800000000 ] - [ 0.0000000000000000, -0.0101670900000000, -0.0055195500000000 ] - [ 0.0000000000000000, -0.0063058300000000, -0.0046794600000000 ] - [ 0.0000000000000000, -0.0087236900000000, -0.0049181600000000 ] - [ 0.0000000000000000, -0.0081202500000000, -0.0050800000000000 ] - [ 0.0000000000000000, -0.0091011800000000, -0.0049415300000000 ] - [ 0.0000000000000000, -0.0087335800000000, -0.0050456600000000 ] - [ 0.0000000000000000, -0.0087941800000000, -0.0049316100000000 ] - [ -0.0014097800000000, 0.0074463200000000, -0.0057691100000000 ] - [ 0.0014097800000000, 0.0074463200000000, -0.0057691100000000 ] - [ 0.0003718400000000, 0.0094923500000000, -0.0045233800000000 ] - [ -0.0003718400000000, 0.0094923500000000, -0.0045233800000000 ] - [ -0.0013789000000000, 0.0074481300000000, -0.0048493900000000 ] - [ 0.0013789000000000, 0.0074481300000000, -0.0048493900000000 ] - [ 0.0006813900000000, 0.0094971600000000, -0.0051515100000000 ] - [ -0.0006813900000000, 0.0094971600000000, -0.0051515100000000 ] - [ 0.0000000000000000, 0.1317297000000000, -0.0388547600000000 ] - [ 0.0000000000000000, 0.0075044800000000, -0.0006601000000000 ] - [ 0.0000000000000000, 0.0038745300000000, -0.0000190000000000 ] - [ 0.0000000000000000, 0.0063161300000000, -0.0002347300000000 ] - [ 0.0000000000000000, 0.0065581500000000, 0.0002026900000000 ] - [ 0.0000000000000000, 0.0068476800000000, -0.0003410600000000 ] - [ 0.0000000000000000, 0.0062782000000000, -0.0002162300000000 ] - [ 0.0000000000000000, 0.0064327000000000, -0.0002581300000000 ] - [ 0.0000000000000000, 0.0030006300000000, -0.0000149800000000 ] - [ 0.0000000000000000, 0.0021178300000000, -0.0002223100000000 ] - [ 0.0000000000000000, 0.0018261200000000, -0.0000265000000000 ] - [ 0.0000000000000000, 0.0019291500000000, -0.0001751200000000 ] - [ 0.0000000000000000, 0.0201746700000000, -0.0004520100000000 ] - [ 0.0000000000000000, 0.0020439400000000, 0.0003877900000000 ] - [ 0.0000000000000000, 0.0018736000000000, -0.0004616300000000 ] - [ 0.0000000000000000, 0.0019703700000000, -0.0001881400000000 ] - [ 0.0513873500000000, 0.0449721800000000, 0.0194464400000000 ] - [ 0.0046277300000000, 0.0025923700000000, 0.0013240100000000 ] - [ 0.0033315700000000, 0.0005816800000000, 0.0008492500000000 ] - [ 0.0036557300000000, 0.0021482800000000, 0.0011340000000000 ] - [ 0.0037750700000000, 0.0022879600000000, 0.0010021000000000 ] - [ 0.0037759400000000, 0.0023298700000000, 0.0012020100000000 ] - [ 0.0037227200000000, 0.0021080600000000, 0.0011371100000000 ] - [ 0.0036874900000000, 0.0021279700000000, 0.0011612200000000 ] - [ -0.0015258200000000, -0.0020463100000000, 0.0015739700000000 ] - [ -0.0043212900000000, -0.0026084900000000, 0.0013848600000000 ] - [ -0.0040526900000000, -0.0027579200000000, 0.0010129300000000 ] - [ -0.0035873700000000, -0.0021930800000000, 0.0010649000000000 ] - [ -0.0022349500000000, -0.0015467500000000, -0.0003186900000000 ] - [ -0.0040469500000000, -0.0024173000000000, 0.0012312600000000 ] - [ -0.0040977600000000, -0.0024843700000000, 0.0017482100000000 ] - [ -0.0036714800000000, -0.0021899200000000, 0.0012152500000000 ] - [ 0.0007925400000000, -0.0013548500000000, 0.0004744100000000 ] - [ -0.0007925400000000, -0.0013548500000000, 0.0004744100000000 ] - [ -0.0001373000000000, -0.0024011700000000, -0.0005969100000000 ] - [ 0.0001373000000000, -0.0024011700000000, -0.0005969100000000 ] - [ 0.0000450000000000, -0.0019468500000000, -0.0002914300000000 ] - [ -0.0000450000000000, -0.0019468500000000, -0.0002914300000000 ] - [ -0.0000134800000000, -0.0020121000000000, 0.0000713700000000 ] - [ 0.0000134800000000, -0.0020121000000000, 0.0000713700000000 ] - [ -0.0003648300000000, -0.0043346500000000, -0.0003095000000000 ] - [ 0.0003648300000000, -0.0043346500000000, -0.0003095000000000 ] - [ 0.0000303500000000, -0.0073097900000000, -0.0005203200000000 ] - [ -0.0000303500000000, -0.0073097900000000, -0.0005203200000000 ] - [ 0.0000328600000000, -0.0052064900000000, 0.0005067000000000 ] - [ -0.0000328600000000, -0.0052064900000000, 0.0005067000000000 ] - [ 0.0000385600000000, -0.0071167000000000, -0.0004374800000000 ] - [ -0.0000385600000000, -0.0071167000000000, -0.0004374800000000 ] - [ 0.0043212900000000, -0.0026084900000000, 0.0013848600000000 ] - [ 0.0015258200000000, -0.0020463100000000, 0.0015739700000000 ] - [ 0.0035873700000000, -0.0021930800000000, 0.0010649000000000 ] - [ 0.0040526900000000, -0.0027579200000000, 0.0010129300000000 ] - [ 0.0040469500000000, -0.0024173000000000, 0.0012312600000000 ] - [ 0.0022349500000000, -0.0015467500000000, -0.0003186900000000 ] - [ 0.0036714800000000, -0.0021899200000000, 0.0012152500000000 ] - [ 0.0040977600000000, -0.0024843700000000, 0.0017482100000000 ] - [ -0.0046277300000000, 0.0025923700000000, 0.0013240100000000 ] - [ -0.0513873500000000, 0.0449721800000000, 0.0194464400000000 ] - [ -0.0036557300000000, 0.0021482800000000, 0.0011340000000000 ] - [ -0.0033315700000000, 0.0005816800000000, 0.0008492500000000 ] - [ -0.0037759400000000, 0.0023298700000000, 0.0012020100000000 ] - [ -0.0037750700000000, 0.0022879600000000, 0.0010021000000000 ] - [ -0.0036874900000000, 0.0021279700000000, 0.0011612200000000 ] - [ -0.0037227200000000, 0.0021080600000000, 0.0011371100000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0000461800000000, 0.0062747400000000 ] - [ 0.0000000000000000, 0.0004120100000000, -0.0011790900000000 ] - [ 0.0000000000000000, -0.0001537700000000, -0.0011010600000000 ] - [ 0.0000000000000000, 0.0001442900000000, -0.0010439900000000 ] - [ 0.0000000000000000, 0.0016364300000000, -0.0022082900000000 ] - [ 0.0000000000000000, 0.0004321700000000, -0.0010112600000000 ] - [ 0.0000000000000000, 0.0000257900000000, -0.0009622500000000 ] - [ 0.0000000000000000, 0.0001678500000000, -0.0010085300000000 ] - [ 0.0048548100000000, -0.0051085100000000, 0.0000195800000000 ] - [ -0.0011203400000000, -0.0006772000000000, 0.0020521800000000 ] - [ -0.0015957300000000, -0.0043320000000000, 0.0022797100000000 ] - [ -0.0006896700000000, -0.0007522200000000, 0.0020982900000000 ] - [ -0.0009935400000000, -0.0006310200000000, 0.0022945800000000 ] - [ -0.0009716400000000, -0.0006487500000000, 0.0021980800000000 ] - [ -0.0007057600000000, -0.0005485400000000, 0.0019797200000000 ] - [ -0.0007836000000000, -0.0005732200000000, 0.0020141400000000 ] - [ 0.0009385000000000, 0.0004204700000000, -0.0016086300000000 ] - [ 0.0009382300000000, 0.0008086000000000, 0.0018384700000000 ] - [ 0.0010856200000000, 0.0001382600000000, 0.0022808300000000 ] - [ 0.0009233800000000, 0.0003753800000000, 0.0020228200000000 ] - [ 0.0012916200000000, 0.0008495600000000, 0.0025219900000000 ] - [ 0.0007129600000000, 0.0007435200000000, 0.0021632800000000 ] - [ 0.0010250600000000, 0.0004630000000000, 0.0020070900000000 ] - [ 0.0008866700000000, 0.0004878500000000, 0.0020743500000000 ] - [ -0.0024530500000000, 0.0020279200000000, 0.0005023800000000 ] - [ 0.0024530500000000, 0.0020279200000000, 0.0005023800000000 ] - [ 0.0002499700000000, -0.0005079400000000, -0.0010718200000000 ] - [ -0.0002499700000000, -0.0005079400000000, -0.0010718200000000 ] - [ 0.0000574700000000, -0.0001798600000000, -0.0010401400000000 ] - [ -0.0000574700000000, -0.0001798600000000, -0.0010401400000000 ] - [ 0.0000449700000000, -0.0004023200000000, -0.0011057900000000 ] - [ -0.0000449700000000, -0.0004023200000000, -0.0011057900000000 ] - [ -0.0009382300000000, 0.0008086000000000, 0.0018384700000000 ] - [ -0.0009385000000000, 0.0004204700000000, -0.0016086300000000 ] - [ -0.0009233800000000, 0.0003753800000000, 0.0020228200000000 ] - [ -0.0010856200000000, 0.0001382600000000, 0.0022808300000000 ] - [ -0.0007129600000000, 0.0007435200000000, 0.0021632800000000 ] - [ -0.0012916200000000, 0.0008495600000000, 0.0025219900000000 ] - [ -0.0008866700000000, 0.0004878500000000, 0.0020743500000000 ] - [ -0.0010250600000000, 0.0004630000000000, 0.0020070900000000 ] - [ 0.0011203400000000, -0.0006772000000000, 0.0020521800000000 ] - [ -0.0048548100000000, -0.0051085100000000, 0.0000195800000000 ] - [ 0.0006896700000000, -0.0007522200000000, 0.0020982900000000 ] - [ 0.0015957300000000, -0.0043320000000000, 0.0022797100000000 ] - [ 0.0009716400000000, -0.0006487500000000, 0.0021980800000000 ] - [ 0.0009935400000000, -0.0006310200000000, 0.0022945800000000 ] - [ 0.0007836000000000, -0.0005732200000000, 0.0020141400000000 ] - [ 0.0007057600000000, -0.0005485400000000, 0.0019797200000000 ] - [ 0.0000000000000000, 0.2382177300000000, -0.0109068200000000 ] - [ 0.0000000000000000, -0.0077474600000000, -0.0043781500000000 ] - [ 0.0000000000000000, -0.0116191700000000, -0.0052304800000000 ] - [ 0.0000000000000000, -0.0092052400000000, -0.0049801100000000 ] - [ 0.0000000000000000, -0.0098133600000000, -0.0047979100000000 ] - [ 0.0000000000000000, -0.0088164800000000, -0.0049582400000000 ] - [ 0.0000000000000000, -0.0091947700000000, -0.0048483500000000 ] - [ 0.0000000000000000, -0.0091309000000000, -0.0049689900000000 ] - [ 0.0014248400000000, 0.0104922200000000, -0.0041028400000000 ] - [ -0.0014248400000000, 0.0104922200000000, -0.0041028400000000 ] - [ -0.0003798200000000, 0.0084257800000000, -0.0053617400000000 ] - [ 0.0003798200000000, 0.0084257800000000, -0.0053617400000000 ] - [ 0.0013918700000000, 0.0104951300000000, -0.0050532600000000 ] - [ -0.0013918700000000, 0.0104951300000000, -0.0050532600000000 ] - [ -0.0006811300000000, 0.0084303100000000, -0.0047493400000000 ] - [ 0.0006811300000000, 0.0084303100000000, -0.0047493400000000 ] - [ 0.0000000000000000, -0.1243763900000000, 0.0406657300000000 ] - [ 0.0000000000000000, 0.0057719000000000, 0.0000159100000000 ] - [ 0.0000000000000000, 0.0093705200000000, -0.0006203400000000 ] - [ 0.0000000000000000, 0.0069417400000000, -0.0004010300000000 ] - [ 0.0000000000000000, 0.0066790700000000, -0.0008430400000000 ] - [ 0.0000000000000000, 0.0063962300000000, -0.0002863200000000 ] - [ 0.0000000000000000, 0.0069946700000000, -0.0004231800000000 ] - [ 0.0000000000000000, 0.0068489400000000, -0.0003835700000000 ] - [ 0.0000000000000000, 0.0010252900000000, -0.0003645800000000 ] - [ 0.0000000000000000, 0.0019146400000000, -0.0001266800000000 ] - [ 0.0000000000000000, 0.0022025400000000, -0.0002997700000000 ] - [ 0.0000000000000000, 0.0020997100000000, -0.0001389500000000 ] - [ 0.0000000000000000, -0.0163460300000000, 0.0006654600000000 ] - [ 0.0000000000000000, 0.0019901900000000, -0.0006966600000000 ] - [ 0.0000000000000000, 0.0021585600000000, 0.0001315900000000 ] - [ 0.0000000000000000, 0.0020624600000000, -0.0001487200000000 ] - [ -0.0426959500000000, -0.0404413600000000, -0.0165043100000000 ] - [ 0.0028721800000000, 0.0018999000000000, 0.0009986800000000 ] - [ 0.0041934900000000, 0.0039406700000000, 0.0014885100000000 ] - [ 0.0038701200000000, 0.0023548600000000, 0.0012007500000000 ] - [ 0.0037621800000000, 0.0022285000000000, 0.0013367400000000 ] - [ 0.0037554600000000, 0.0021805800000000, 0.0011420700000000 ] - [ 0.0037955300000000, 0.0023878900000000, 0.0011996400000000 ] - [ 0.0038208500000000, 0.0023620600000000, 0.0011692900000000 ] - [ -0.0060551400000000, -0.0024778600000000, 0.0007651100000000 ] - [ -0.0032424200000000, -0.0019151200000000, 0.0009674500000000 ] - [ -0.0034706000000000, -0.0017308600000000, 0.0013279000000000 ] - [ -0.0039415700000000, -0.0023046600000000, 0.0012763800000000 ] - [ -0.0053197400000000, -0.0029681600000000, 0.0026810500000000 ] - [ -0.0034963400000000, -0.0020947100000000, 0.0011125000000000 ] - [ -0.0034218500000000, -0.0020105600000000, 0.0005914800000000 ] - [ -0.0038490200000000, -0.0023107500000000, 0.0011220700000000 ] - [ -0.0008174800000000, -0.0026696100000000, -0.0008772300000000 ] - [ 0.0008174800000000, -0.0026696100000000, -0.0008772300000000 ] - [ 0.0001290200000000, -0.0016336800000000, 0.0002457100000000 ] - [ -0.0001290200000000, -0.0016336800000000, 0.0002457100000000 ] - [ -0.0000447800000000, -0.0020861300000000, -0.0000622200000000 ] - [ 0.0000447800000000, -0.0020861300000000, -0.0000622200000000 ] - [ 0.0000141800000000, -0.0020109100000000, -0.0003991200000000 ] - [ -0.0000141800000000, -0.0020109100000000, -0.0003991200000000 ] - [ 0.0003654300000000, -0.0088879900000000, -0.0003111400000000 ] - [ -0.0003654300000000, -0.0088879900000000, -0.0003111400000000 ] - [ -0.0000308400000000, -0.0059385800000000, -0.0001066700000000 ] - [ 0.0000308400000000, -0.0059385800000000, -0.0001066700000000 ] - [ -0.0000286000000000, -0.0080489100000000, -0.0011383000000000 ] - [ 0.0000286000000000, -0.0080489100000000, -0.0011383000000000 ] - [ -0.0000402000000000, -0.0061425400000000, -0.0001988200000000 ] - [ 0.0000402000000000, -0.0061425400000000, -0.0001988200000000 ] - [ 0.0032424200000000, -0.0019151200000000, 0.0009674500000000 ] - [ 0.0060551400000000, -0.0024778600000000, 0.0007651100000000 ] - [ 0.0039415700000000, -0.0023046600000000, 0.0012763800000000 ] - [ 0.0034706000000000, -0.0017308600000000, 0.0013279000000000 ] - [ 0.0034963400000000, -0.0020947100000000, 0.0011125000000000 ] - [ 0.0053197400000000, -0.0029681600000000, 0.0026810500000000 ] - [ 0.0038490200000000, -0.0023107500000000, 0.0011220700000000 ] - [ 0.0034218500000000, -0.0020105600000000, 0.0005914800000000 ] - [ -0.0028721800000000, 0.0018999000000000, 0.0009986800000000 ] - [ 0.0426959500000000, -0.0404413600000000, -0.0165043100000000 ] - [ -0.0038701200000000, 0.0023548600000000, 0.0012007500000000 ] - [ -0.0041934900000000, 0.0039406700000000, 0.0014885100000000 ] - [ -0.0037554600000000, 0.0021805800000000, 0.0011420700000000 ] - [ -0.0037621800000000, 0.0022285000000000, 0.0013367400000000 ] - [ -0.0038208500000000, 0.0023620600000000, 0.0011692900000000 ] - [ -0.0037955300000000, 0.0023878900000000, 0.0011996400000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0003906300000000, 0.0014443800000000 ] - [ 0.0000000000000000, 0.0003716900000000, -0.0010251600000000 ] - [ 0.0000000000000000, 0.0005105800000000, -0.0008215700000000 ] - [ 0.0000000000000000, 0.0003523700000000, -0.0010650400000000 ] - [ 0.0000000000000000, 0.0076426000000000, 0.0013935900000000 ] - [ 0.0000000000000000, 0.0000028500000000, -0.0009984100000000 ] - [ 0.0000000000000000, -0.0005450200000000, -0.0010463100000000 ] - [ 0.0000000000000000, 0.0001881700000000, -0.0010308200000000 ] - [ 0.0015764500000000, -0.0013828300000000, 0.0014590300000000 ] - [ -0.0009103100000000, -0.0007002900000000, 0.0017217600000000 ] - [ -0.0013623300000000, 0.0015734700000000, 0.0014969500000000 ] - [ -0.0010376700000000, -0.0005194000000000, 0.0018926000000000 ] - [ -0.0010280700000000, -0.0003533900000000, 0.0024284100000000 ] - [ -0.0007539700000000, -0.0005512400000000, 0.0023380300000000 ] - [ -0.0008741000000000, -0.0009075100000000, 0.0024024800000000 ] - [ -0.0008009400000000, -0.0005920600000000, 0.0022503700000000 ] - [ 0.0015597400000000, 0.0008837800000000, 0.0046025800000000 ] - [ 0.0007116600000000, 0.0005844100000000, 0.0021578700000000 ] - [ 0.0007854300000000, 0.0005428900000000, 0.0022258900000000 ] - [ 0.0007402300000000, 0.0005635500000000, 0.0020511700000000 ] - [ -0.0056745500000000, -0.0026741500000000, 0.0047417200000000 ] - [ 0.0011256200000000, 0.0005546600000000, 0.0020725000000000 ] - [ 0.0011052200000000, 0.0008462100000000, 0.0020659900000000 ] - [ 0.0009845500000000, 0.0007868900000000, 0.0021330100000000 ] - [ 0.0016498200000000, -0.0019047700000000, -0.0015582800000000 ] - [ -0.0016498200000000, -0.0019047700000000, -0.0015582800000000 ] - [ 0.0001423300000000, -0.0002043700000000, -0.0013300800000000 ] - [ -0.0001423300000000, -0.0002043700000000, -0.0013300800000000 ] - [ -0.0002989100000000, -0.0002334100000000, -0.0006983300000000 ] - [ 0.0002989100000000, -0.0002334100000000, -0.0006983300000000 ] - [ 0.0000114100000000, -0.0003221800000000, -0.0008406400000000 ] - [ -0.0000114100000000, -0.0003221800000000, -0.0008406400000000 ] - [ -0.0007116600000000, 0.0005844100000000, 0.0021578700000000 ] - [ -0.0015597400000000, 0.0008837800000000, 0.0046025800000000 ] - [ -0.0007402300000000, 0.0005635500000000, 0.0020511700000000 ] - [ -0.0007854300000000, 0.0005428900000000, 0.0022258900000000 ] - [ -0.0011256200000000, 0.0005546600000000, 0.0020725000000000 ] - [ 0.0056745500000000, -0.0026741500000000, 0.0047417200000000 ] - [ -0.0009845500000000, 0.0007868900000000, 0.0021330100000000 ] - [ -0.0011052200000000, 0.0008462100000000, 0.0020659900000000 ] - [ 0.0009103100000000, -0.0007002900000000, 0.0017217600000000 ] - [ -0.0015764500000000, -0.0013828300000000, 0.0014590300000000 ] - [ 0.0010376700000000, -0.0005194000000000, 0.0018926000000000 ] - [ 0.0013623300000000, 0.0015734700000000, 0.0014969500000000 ] - [ 0.0007539700000000, -0.0005512400000000, 0.0023380300000000 ] - [ 0.0010280700000000, -0.0003533900000000, 0.0024284100000000 ] - [ 0.0008009400000000, -0.0005920600000000, 0.0022503700000000 ] - [ 0.0008741000000000, -0.0009075100000000, 0.0024024800000000 ] - [ 0.0000000000000000, -0.0051195200000000, -0.2406247900000000 ] - [ 0.0000000000000000, -0.0095293600000000, -0.0057686900000000 ] - [ 0.0000000000000000, -0.0086886900000000, -0.0057462600000000 ] - [ 0.0000000000000000, -0.0089343500000000, -0.0052032100000000 ] - [ 0.0000000000000000, -0.0091044200000000, -0.0001039800000000 ] - [ 0.0000000000000000, -0.0089513700000000, -0.0046559900000000 ] - [ 0.0000000000000000, -0.0090616500000000, -0.0045651300000000 ] - [ 0.0000000000000000, -0.0089427200000000, -0.0047346600000000 ] - [ 0.0002764000000000, 0.0088589200000000, -0.0044178800000000 ] - [ -0.0002764000000000, 0.0088589200000000, -0.0044178800000000 ] - [ 0.0001462700000000, 0.0091660800000000, -0.0044065000000000 ] - [ -0.0001462700000000, 0.0091660800000000, -0.0044065000000000 ] - [ -0.0005538000000000, 0.0097913100000000, -0.0044113600000000 ] - [ 0.0005538000000000, 0.0097913100000000, -0.0044113600000000 ] - [ -0.0004852600000000, 0.0085447100000000, -0.0043969800000000 ] - [ 0.0004852600000000, 0.0085447100000000, -0.0043969800000000 ] - [ 0.0000000000000000, -0.0329820400000000, 0.0286884800000000 ] - [ 0.0000000000000000, 0.0068776100000000, -0.0003050500000000 ] - [ 0.0000000000000000, 0.0059897300000000, -0.0000473000000000 ] - [ 0.0000000000000000, 0.0064604300000000, -0.0002271000000000 ] - [ 0.0000000000000000, 0.0070977200000000, -0.0021386500000000 ] - [ 0.0000000000000000, 0.0067442300000000, -0.0004402700000000 ] - [ 0.0000000000000000, 0.0069714100000000, -0.0004478100000000 ] - [ 0.0000000000000000, 0.0066622600000000, -0.0003843200000000 ] - [ 0.0000000000000000, 0.0020457600000000, -0.0044791900000000 ] - [ 0.0000000000000000, 0.0020253600000000, -0.0005811000000000 ] - [ 0.0000000000000000, 0.0020143700000000, -0.0006793800000000 ] - [ 0.0000000000000000, 0.0020296700000000, -0.0004655300000000 ] - [ 0.0000000000000000, 0.0011749900000000, 0.1392761100000000 ] - [ 0.0000000000000000, 0.0020086900000000, 0.0006626600000000 ] - [ 0.0000000000000000, 0.0020593100000000, 0.0006842400000000 ] - [ 0.0000000000000000, 0.0019700800000000, 0.0001473700000000 ] - [ 0.0365826400000000, 0.0208550100000000, 0.0283653600000000 ] - [ 0.0044069000000000, 0.0024721500000000, 0.0013364500000000 ] - [ 0.0036740000000000, 0.0026238100000000, 0.0011873100000000 ] - [ 0.0038599200000000, 0.0022735800000000, 0.0012741300000000 ] - [ 0.0034152900000000, 0.0020837400000000, -0.0005802300000000 ] - [ 0.0036138600000000, 0.0022305900000000, 0.0010830100000000 ] - [ 0.0036814000000000, 0.0021389400000000, 0.0010812500000000 ] - [ 0.0036747600000000, 0.0021973500000000, 0.0010587100000000 ] - [ -0.0038850500000000, -0.0021767200000000, 0.0008661600000000 ] - [ -0.0034692100000000, -0.0020887100000000, 0.0009605700000000 ] - [ -0.0038430800000000, -0.0025006800000000, 0.0008022400000000 ] - [ -0.0035494700000000, -0.0021821400000000, 0.0010179600000000 ] - [ -0.0032283900000000, -0.0028137400000000, 0.0019702300000000 ] - [ -0.0044564600000000, -0.0026452900000000, 0.0015453600000000 ] - [ -0.0026472100000000, -0.0014417200000000, 0.0019345800000000 ] - [ -0.0040496900000000, -0.0023201200000000, 0.0013724200000000 ] - [ -0.0002392400000000, -0.0018944400000000, -0.0006973700000000 ] - [ 0.0002392400000000, -0.0018944400000000, -0.0006973700000000 ] - [ -0.0001764600000000, -0.0023973500000000, -0.0006907700000000 ] - [ 0.0001764600000000, -0.0023973500000000, -0.0006907700000000 ] - [ 0.0001141000000000, -0.0020971200000000, -0.0006199700000000 ] - [ -0.0001141000000000, -0.0020971200000000, -0.0006199700000000 ] - [ -0.0000908700000000, -0.0019778400000000, -0.0006277200000000 ] - [ 0.0000908700000000, -0.0019778400000000, -0.0006277200000000 ] - [ -0.0001332600000000, -0.0066248900000000, -0.0006233700000000 ] - [ 0.0001332600000000, -0.0066248900000000, -0.0006233700000000 ] - [ -0.0000419400000000, -0.0068834700000000, -0.0005054900000000 ] - [ 0.0000419400000000, -0.0068834700000000, -0.0005054900000000 ] - [ 0.0009564900000000, -0.0073372100000000, 0.0002856600000000 ] - [ -0.0009564900000000, -0.0073372100000000, 0.0002856600000000 ] - [ 0.0000101800000000, -0.0063200700000000, -0.0001323700000000 ] - [ -0.0000101800000000, -0.0063200700000000, -0.0001323700000000 ] - [ 0.0034692100000000, -0.0020887100000000, 0.0009605700000000 ] - [ 0.0038850500000000, -0.0021767200000000, 0.0008661600000000 ] - [ 0.0035494700000000, -0.0021821400000000, 0.0010179600000000 ] - [ 0.0038430800000000, -0.0025006800000000, 0.0008022400000000 ] - [ 0.0044564600000000, -0.0026452900000000, 0.0015453600000000 ] - [ 0.0032283900000000, -0.0028137400000000, 0.0019702300000000 ] - [ 0.0040496900000000, -0.0023201200000000, 0.0013724200000000 ] - [ 0.0026472100000000, -0.0014417200000000, 0.0019345800000000 ] - [ -0.0044069000000000, 0.0024721500000000, 0.0013364500000000 ] - [ -0.0365826400000000, 0.0208550100000000, 0.0283653600000000 ] - [ -0.0038599200000000, 0.0022735800000000, 0.0012741300000000 ] - [ -0.0036740000000000, 0.0026238100000000, 0.0011873100000000 ] - [ -0.0036138600000000, 0.0022305900000000, 0.0010830100000000 ] - [ -0.0034152900000000, 0.0020837400000000, -0.0005802300000000 ] - [ -0.0036747600000000, 0.0021973500000000, 0.0010587100000000 ] - [ -0.0036814000000000, 0.0021389400000000, 0.0010812500000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0008885000000000, -0.0035349900000000 ] - [ 0.0000000000000000, 0.0001264800000000, -0.0010764800000000 ] - [ 0.0000000000000000, -0.0000106800000000, -0.0012838300000000 ] - [ 0.0000000000000000, 0.0001489200000000, -0.0010355100000000 ] - [ 0.0000000000000000, -0.0072263000000000, -0.0035113400000000 ] - [ 0.0000000000000000, 0.0005038200000000, -0.0010950700000000 ] - [ 0.0000000000000000, 0.0010532700000000, -0.0010443300000000 ] - [ 0.0000000000000000, 0.0003135600000000, -0.0010631400000000 ] - [ -0.0033198200000000, 0.0001376400000000, 0.0027024200000000 ] - [ -0.0008133200000000, -0.0005410900000000, 0.0024298000000000 ] - [ -0.0003571200000000, -0.0028300500000000, 0.0026615500000000 ] - [ -0.0006851500000000, -0.0007267600000000, 0.0022564000000000 ] - [ -0.0006886100000000, -0.0008919300000000, 0.0017150900000000 ] - [ -0.0009686400000000, -0.0006911000000000, 0.0018053700000000 ] - [ -0.0008453800000000, -0.0003261100000000, 0.0017414100000000 ] - [ -0.0009204600000000, -0.0006480400000000, 0.0018950200000000 ] - [ 0.0001657600000000, 0.0003568300000000, -0.0004488300000000 ] - [ 0.0010128100000000, 0.0006591900000000, 0.0019816900000000 ] - [ 0.0009375900000000, 0.0007009800000000, 0.0019124100000000 ] - [ 0.0009818400000000, 0.0006795100000000, 0.0020920400000000 ] - [ 0.0074734000000000, 0.0039569200000000, -0.0006177900000000 ] - [ 0.0005910200000000, 0.0006906100000000, 0.0020766000000000 ] - [ 0.0006113200000000, 0.0003913600000000, 0.0020847900000000 ] - [ 0.0007349200000000, 0.0004520000000000, 0.0020150500000000 ] - [ -0.0016577000000000, 0.0014237200000000, -0.0005252100000000 ] - [ 0.0016577000000000, 0.0014237200000000, -0.0005252100000000 ] - [ -0.0001457600000000, -0.0002951300000000, -0.0007630000000000 ] - [ 0.0001457600000000, -0.0002951300000000, -0.0007630000000000 ] - [ 0.0003052600000000, -0.0002710600000000, -0.0014024000000000 ] - [ -0.0003052600000000, -0.0002710600000000, -0.0014024000000000 ] - [ -0.0000104200000000, -0.0001813800000000, -0.0012564300000000 ] - [ 0.0000104200000000, -0.0001813800000000, -0.0012564300000000 ] - [ -0.0010128100000000, 0.0006591900000000, 0.0019816900000000 ] - [ -0.0001657600000000, 0.0003568300000000, -0.0004488300000000 ] - [ -0.0009818400000000, 0.0006795100000000, 0.0020920400000000 ] - [ -0.0009375900000000, 0.0007009800000000, 0.0019124100000000 ] - [ -0.0005910200000000, 0.0006906100000000, 0.0020766000000000 ] - [ -0.0074734000000000, 0.0039569200000000, -0.0006177900000000 ] - [ -0.0007349200000000, 0.0004520000000000, 0.0020150500000000 ] - [ -0.0006113200000000, 0.0003913600000000, 0.0020847900000000 ] - [ 0.0008133200000000, -0.0005410900000000, 0.0024298000000000 ] - [ 0.0033198200000000, 0.0001376400000000, 0.0027024200000000 ] - [ 0.0006851500000000, -0.0007267600000000, 0.0022564000000000 ] - [ 0.0003571200000000, -0.0028300500000000, 0.0026615500000000 ] - [ 0.0009686400000000, -0.0006911000000000, 0.0018053700000000 ] - [ 0.0006886100000000, -0.0008919300000000, 0.0017150900000000 ] - [ 0.0009204600000000, -0.0006480400000000, 0.0018950200000000 ] - [ 0.0008453800000000, -0.0003261100000000, 0.0017414100000000 ] - [ 0.0000000000000000, -0.0128308100000000, 0.2394816200000000 ] - [ 0.0000000000000000, -0.0083857600000000, -0.0041194500000000 ] - [ 0.0000000000000000, -0.0092382100000000, -0.0041414500000000 ] - [ 0.0000000000000000, -0.0089932300000000, -0.0046907700000000 ] - [ 0.0000000000000000, -0.0088187000000000, -0.0097872100000000 ] - [ 0.0000000000000000, -0.0089703000000000, -0.0052432500000000 ] - [ 0.0000000000000000, -0.0088646200000000, -0.0053406800000000 ] - [ 0.0000000000000000, -0.0089828600000000, -0.0051587100000000 ] - [ -0.0002640300000000, 0.0090625400000000, -0.0054942600000000 ] - [ 0.0002640300000000, 0.0090625400000000, -0.0054942600000000 ] - [ -0.0001347700000000, 0.0087641100000000, -0.0055086000000000 ] - [ 0.0001347700000000, 0.0087641100000000, -0.0055086000000000 ] - [ 0.0005630500000000, 0.0081238400000000, -0.0054898300000000 ] - [ -0.0005630500000000, 0.0081238400000000, -0.0054898300000000 ] - [ 0.0004926500000000, 0.0093820700000000, -0.0055009200000000 ] - [ -0.0004926500000000, 0.0093820700000000, -0.0055009200000000 ] - [ 0.0000000000000000, 0.0457388900000000, -0.0297966800000000 ] - [ 0.0000000000000000, 0.0063514100000000, -0.0003221100000000 ] - [ 0.0000000000000000, 0.0072355500000000, -0.0005732700000000 ] - [ 0.0000000000000000, 0.0067591700000000, -0.0003964200000000 ] - [ 0.0000000000000000, 0.0061362000000000, 0.0015411200000000 ] - [ 0.0000000000000000, 0.0064888100000000, -0.0001830200000000 ] - [ 0.0000000000000000, 0.0062817700000000, -0.0001878400000000 ] - [ 0.0000000000000000, 0.0065781900000000, -0.0002440000000000 ] - [ 0.0000000000000000, 0.0019891100000000, 0.0040658300000000 ] - [ 0.0000000000000000, 0.0020064600000000, 0.0002249900000000 ] - [ 0.0000000000000000, 0.0020139400000000, 0.0003553300000000 ] - [ 0.0000000000000000, 0.0019995000000000, 0.0001136100000000 ] - [ 0.0000000000000000, 0.0029309000000000, -0.1469971300000000 ] - [ 0.0000000000000000, 0.0020248600000000, -0.0010331000000000 ] - [ 0.0000000000000000, 0.0019721400000000, -0.0010730900000000 ] - [ 0.0000000000000000, 0.0020637500000000, -0.0005300400000000 ] - [ -0.0286808100000000, -0.0161347800000000, -0.0265113800000000 ] - [ 0.0031256400000000, 0.0020387200000000, 0.0010037000000000 ] - [ 0.0038807900000000, 0.0018876100000000, 0.0011594900000000 ] - [ 0.0036932000000000, 0.0022460700000000, 0.0010721000000000 ] - [ 0.0041229900000000, 0.0024293600000000, 0.0029499800000000 ] - [ 0.0039288100000000, 0.0022828900000000, 0.0012653900000000 ] - [ 0.0038429500000000, 0.0023638300000000, 0.0012587900000000 ] - [ 0.0038653800000000, 0.0023116000000000, 0.0012855000000000 ] - [ -0.0036927400000000, -0.0023511900000000, 0.0014896900000000 ] - [ -0.0040992300000000, -0.0024371500000000, 0.0013971400000000 ] - [ -0.0037081800000000, -0.0020180800000000, 0.0015425600000000 ] - [ -0.0039911900000000, -0.0023257600000000, 0.0013285800000000 ] - [ -0.0043281000000000, -0.0016866200000000, 0.0003719800000000 ] - [ -0.0030817400000000, -0.0018654100000000, 0.0007956100000000 ] - [ -0.0049026500000000, -0.0030856200000000, 0.0004066400000000 ] - [ -0.0034810000000000, -0.0021887800000000, 0.0009676600000000 ] - [ 0.0002450600000000, -0.0021395300000000, 0.0003200300000000 ] - [ -0.0002450600000000, -0.0021395300000000, 0.0003200300000000 ] - [ 0.0001807800000000, -0.0016274900000000, 0.0003553300000000 ] - [ -0.0001807800000000, -0.0016274900000000, 0.0003553300000000 ] - [ -0.0001161200000000, -0.0019351700000000, 0.0002590800000000 ] - [ 0.0001161200000000, -0.0019351700000000, 0.0002590800000000 ] - [ 0.0000911000000000, -0.0020509900000000, 0.0002781800000000 ] - [ -0.0000911000000000, -0.0020509900000000, 0.0002781800000000 ] - [ 0.0001296000000000, -0.0065680700000000, 0.0000107900000000 ] - [ -0.0001296000000000, -0.0065680700000000, 0.0000107900000000 ] - [ 0.0000415700000000, -0.0063526900000000, -0.0001152300000000 ] - [ -0.0000415700000000, -0.0063526900000000, -0.0001152300000000 ] - [ -0.0009807000000000, -0.0058868500000000, -0.0009123800000000 ] - [ 0.0009807000000000, -0.0058868500000000, -0.0009123800000000 ] - [ -0.0000107600000000, -0.0069264500000000, -0.0005014100000000 ] - [ 0.0000107600000000, -0.0069264500000000, -0.0005014100000000 ] - [ 0.0040992300000000, -0.0024371500000000, 0.0013971400000000 ] - [ 0.0036927400000000, -0.0023511900000000, 0.0014896900000000 ] - [ 0.0039911900000000, -0.0023257600000000, 0.0013285800000000 ] - [ 0.0037081800000000, -0.0020180800000000, 0.0015425600000000 ] - [ 0.0030817400000000, -0.0018654100000000, 0.0007956100000000 ] - [ 0.0043281000000000, -0.0016866200000000, 0.0003719800000000 ] - [ 0.0034810000000000, -0.0021887800000000, 0.0009676600000000 ] - [ 0.0049026500000000, -0.0030856200000000, 0.0004066400000000 ] - [ -0.0031256400000000, 0.0020387200000000, 0.0010037000000000 ] - [ 0.0286808100000000, -0.0161347800000000, -0.0265113800000000 ] - [ -0.0036932000000000, 0.0022460700000000, 0.0010721000000000 ] - [ -0.0038807900000000, 0.0018876100000000, 0.0011594900000000 ] - [ -0.0039288100000000, 0.0022828900000000, 0.0012653900000000 ] - [ -0.0041229900000000, 0.0024293600000000, 0.0029499800000000 ] - [ -0.0038653800000000, 0.0023116000000000, 0.0012855000000000 ] - [ -0.0038429500000000, 0.0023638300000000, 0.0012587900000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003697800000000, 0.0002483100000000, -0.0010933300000000 ] - [ -0.0003126000000000, 0.0002489200000000, -0.0010466100000000 ] - [ 0.0000719200000000, 0.0002487700000000, -0.0010491900000000 ] - [ -0.0000495000000000, 0.0002493300000000, -0.0010471100000000 ] - [ 0.0003565100000000, 0.0002437300000000, -0.0010491100000000 ] - [ -0.0001723800000000, 0.0002493300000000, -0.0010491400000000 ] - [ 0.0000351200000000, 0.0002516100000000, -0.0010485300000000 ] - [ -0.0000316900000000, 0.0002486900000000, -0.0010500700000000 ] - [ 0.0101844100000000, -0.0082622500000000, -0.0025066900000000 ] - [ -0.0010219300000000, -0.0006832500000000, 0.0020424800000000 ] - [ -0.0009822200000000, -0.0007831700000000, 0.0021617300000000 ] - [ -0.0008892400000000, -0.0006185000000000, 0.0020733100000000 ] - [ -0.0007108900000000, -0.0005905600000000, 0.0019530400000000 ] - [ -0.0009808400000000, -0.0006609600000000, 0.0021930700000000 ] - [ -0.0008403400000000, -0.0006228200000000, 0.0020538200000000 ] - [ -0.0008838200000000, -0.0006198700000000, 0.0020860200000000 ] - [ 0.0009302600000000, 0.0004910500000000, 0.0021143800000000 ] - [ 0.0007288300000000, 0.0006965600000000, 0.0020483600000000 ] - [ 0.0009049600000000, 0.0008071800000000, 0.0020797400000000 ] - [ 0.0008168500000000, 0.0004631400000000, 0.0020374400000000 ] - [ 0.0010104400000000, 0.0005006200000000, 0.0020434500000000 ] - [ 0.0007646800000000, 0.0006839900000000, 0.0020483500000000 ] - [ 0.0008987100000000, 0.0007464800000000, 0.0021105900000000 ] - [ 0.0008258900000000, 0.0005408300000000, 0.0020496600000000 ] - [ -0.0002232000000000, -0.0005337000000000, -0.0010811400000000 ] - [ -0.0002224000000000, 0.0000325900000000, -0.0010146000000000 ] - [ -0.0000321700000000, -0.0002362500000000, -0.0010510500000000 ] - [ -0.0000286500000000, -0.0002657400000000, -0.0010446600000000 ] - [ -0.0000025200000000, -0.0003585100000000, -0.0011392300000000 ] - [ -0.0000024700000000, -0.0001409500000000, -0.0009605000000000 ] - [ -0.0000007200000000, -0.0002396300000000, -0.0010704200000000 ] - [ -0.0000012300000000, -0.0002581400000000, -0.0010287900000000 ] - [ -0.0009950900000000, 0.0005482500000000, 0.0020999600000000 ] - [ -0.0007946000000000, 0.0007558800000000, 0.0020321000000000 ] - [ -0.0009052800000000, 0.0007783800000000, 0.0021104600000000 ] - [ -0.0008178600000000, 0.0004347600000000, 0.0020639000000000 ] - [ -0.0009594600000000, 0.0005607800000000, 0.0020951800000000 ] - [ -0.0007186700000000, 0.0007450600000000, 0.0020986400000000 ] - [ -0.0008972800000000, 0.0007010900000000, 0.0020916400000000 ] - [ -0.0008207500000000, 0.0004952800000000, 0.0020342000000000 ] - [ 0.0006994600000000, -0.0005614600000000, 0.0021020700000000 ] - [ 0.0115928800000000, 0.0066958100000000, 0.0064817900000000 ] - [ 0.0008309800000000, -0.0006208300000000, 0.0020729500000000 ] - [ 0.0007423500000000, -0.0004550900000000, 0.0019856600000000 ] - [ 0.0007433100000000, -0.0005853500000000, 0.0019511400000000 ] - [ 0.0010118400000000, -0.0006542600000000, 0.0021913600000000 ] - [ 0.0008419800000000, -0.0006209200000000, 0.0020578600000000 ] - [ 0.0008840200000000, -0.0006177000000000, 0.0020886400000000 ] - [ 0.0150420400000000, -0.0093293800000000, -0.0048528400000000 ] - [ -0.0001849500000000, -0.0089608800000000, -0.0049484400000000 ] - [ 0.0010545200000000, -0.0089615100000000, -0.0049450600000000 ] - [ -0.0002639600000000, -0.0089625600000000, -0.0049464700000000 ] - [ 0.0001046900000000, -0.0089607400000000, -0.0049456600000000 ] - [ -0.0001496300000000, -0.0089600900000000, -0.0049472700000000 ] - [ 0.0002419500000000, -0.0089614600000000, -0.0049485000000000 ] - [ -0.0001915800000000, -0.0089582500000000, -0.0049457700000000 ] - [ 0.0000142100000000, 0.0089898700000000, -0.0059114400000000 ] - [ 0.0000042500000000, 0.0089305100000000, -0.0039694100000000 ] - [ 0.0000010700000000, 0.0090009500000000, -0.0049562300000000 ] - [ 0.0000023000000000, 0.0089203500000000, -0.0049345100000000 ] - [ -0.0006331000000000, 0.0085930200000000, -0.0048149500000000 ] - [ -0.0006281900000000, 0.0093259300000000, -0.0050791200000000 ] - [ -0.0000281700000000, 0.0089908100000000, -0.0049038200000000 ] - [ -0.0000270700000000, 0.0089300700000000, -0.0049869700000000 ] - [ -0.0363157300000000, 0.0072360800000000, -0.0002298000000000 ] - [ 0.0001852100000000, 0.0066289200000000, -0.0003177500000000 ] - [ 0.0000706400000000, 0.0066060400000000, -0.0003091400000000 ] - [ 0.0000190600000000, 0.0066157600000000, -0.0003108400000000 ] - [ -0.0001210400000000, 0.0066079200000000, -0.0003066900000000 ] - [ 0.0000883800000000, 0.0066135600000000, -0.0003095100000000 ] - [ -0.0000101600000000, 0.0066181000000000, -0.0003128000000000 ] - [ 0.0000167800000000, 0.0066052200000000, -0.0003075000000000 ] - [ -0.0001398800000000, 0.0020164100000000, -0.0001951000000000 ] - [ 0.0000828500000000, 0.0020161600000000, -0.0001853700000000 ] - [ -0.0000503800000000, 0.0020150600000000, -0.0001783900000000 ] - [ 0.0000424900000000, 0.0020151800000000, -0.0001940700000000 ] - [ -0.0003092200000000, 0.0020270600000000, -0.0001542000000000 ] - [ 0.0000589400000000, 0.0020152700000000, -0.0001694600000000 ] - [ -0.0000139900000000, 0.0020166500000000, -0.0001927100000000 ] - [ 0.0000223000000000, 0.0020171400000000, -0.0001844800000000 ] - [ 0.0018070400000000, 0.0068739100000000, -0.0017467300000000 ] - [ 0.0039542000000000, 0.0023002800000000, 0.0012310500000000 ] - [ 0.0032495400000000, 0.0014880200000000, 0.0009150700000000 ] - [ 0.0039597500000000, 0.0023904300000000, 0.0012442300000000 ] - [ 0.0036283800000000, 0.0022285300000000, 0.0011371900000000 ] - [ 0.0039327200000000, 0.0022995500000000, 0.0012197000000000 ] - [ 0.0035886000000000, 0.0021192200000000, 0.0011153700000000 ] - [ 0.0039265900000000, 0.0023722900000000, 0.0012112100000000 ] - [ -0.0036185300000000, -0.0024652000000000, 0.0015578200000000 ] - [ -0.0032176100000000, -0.0018970000000000, 0.0009428100000000 ] - [ -0.0038193900000000, -0.0022605700000000, 0.0011825700000000 ] - [ -0.0037342700000000, -0.0022721700000000, 0.0011605800000000 ] - [ -0.0031207000000000, -0.0021624200000000, 0.0004514800000000 ] - [ -0.0035029100000000, -0.0021188100000000, 0.0011346200000000 ] - [ -0.0038137000000000, -0.0022905100000000, 0.0011655500000000 ] - [ -0.0037464300000000, -0.0022703400000000, 0.0011749000000000 ] - [ 0.0009616600000000, -0.0019464600000000, 0.0010825500000000 ] - [ 0.0009520800000000, -0.0020843600000000, -0.0014806300000000 ] - [ -0.0000067400000000, -0.0020193400000000, -0.0001656600000000 ] - [ -0.0000071500000000, -0.0020160200000000, -0.0002246000000000 ] - [ 0.0000068300000000, -0.0019949100000000, -0.0003477800000000 ] - [ 0.0000070100000000, -0.0020386000000000, -0.0000245900000000 ] - [ 0.0000015000000000, -0.0020142500000000, -0.0002106700000000 ] - [ 0.0000006100000000, -0.0020167700000000, -0.0001637700000000 ] - [ 0.0000254700000000, -0.0060842500000000, -0.0001528800000000 ] - [ 0.0000257000000000, -0.0071128300000000, -0.0004601000000000 ] - [ 0.0000058500000000, -0.0066766900000000, -0.0003218500000000 ] - [ 0.0000068900000000, -0.0065337700000000, -0.0002924200000000 ] - [ 0.0000249900000000, -0.0063710100000000, -0.0002853900000000 ] - [ 0.0000248200000000, -0.0068530200000000, -0.0003356000000000 ] - [ 0.0000063600000000, -0.0066787700000000, -0.0003319200000000 ] - [ 0.0000065400000000, -0.0065469900000000, -0.0002909900000000 ] - [ 0.0043545200000000, -0.0026348500000000, 0.0014125500000000 ] - [ 0.0039454800000000, -0.0020659900000000, 0.0008018800000000 ] - [ 0.0038295000000000, -0.0022520900000000, 0.0011913400000000 ] - [ 0.0037433100000000, -0.0022628300000000, 0.0011695000000000 ] - [ 0.0040467400000000, -0.0023976600000000, 0.0012111000000000 ] - [ 0.0044227900000000, -0.0023513500000000, 0.0018924500000000 ] - [ 0.0038014400000000, -0.0022497600000000, 0.0011704000000000 ] - [ 0.0037342500000000, -0.0022306100000000, 0.0011811700000000 ] - [ -0.0035682700000000, 0.0022024100000000, 0.0011049100000000 ] - [ -0.0057460500000000, -0.0022964500000000, 0.0040897700000000 ] - [ -0.0035823600000000, 0.0021257300000000, 0.0010999700000000 ] - [ -0.0043018600000000, 0.0030354000000000, 0.0014334200000000 ] - [ -0.0036129000000000, 0.0022172200000000, 0.0011311700000000 ] - [ -0.0039280200000000, 0.0022931900000000, 0.0012163600000000 ] - [ -0.0036343400000000, 0.0021525500000000, 0.0011430200000000 ] - [ -0.0039519800000000, 0.0023942500000000, 0.0012312800000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0010555700000000, 0.0033681800000000 ] - [ 0.0000000000000000, 0.0004742700000000, -0.0011578400000000 ] - [ 0.0000000000000000, -0.0001256000000000, -0.0008808700000000 ] - [ 0.0000000000000000, 0.0001647300000000, -0.0010331300000000 ] - [ 0.0000000000000000, 0.0033702700000000, -0.0017005300000000 ] - [ 0.0000000000000000, 0.0003613700000000, -0.0010114200000000 ] - [ 0.0000000000000000, -0.0003221200000000, -0.0010655300000000 ] - [ 0.0000000000000000, 0.0001115200000000, -0.0010011100000000 ] - [ -0.0037807900000000, 0.0021418200000000, 0.0032665000000000 ] - [ -0.0011758700000000, -0.0007251700000000, 0.0019332200000000 ] - [ -0.0009845400000000, -0.0032236200000000, 0.0023260200000000 ] - [ -0.0006922100000000, -0.0006881600000000, 0.0020114500000000 ] - [ -0.0012054800000000, -0.0004999100000000, 0.0024178900000000 ] - [ -0.0009558500000000, -0.0006580900000000, 0.0023012700000000 ] - [ -0.0007138200000000, -0.0007545400000000, 0.0020744200000000 ] - [ -0.0007386800000000, -0.0005440900000000, 0.0020682500000000 ] - [ 0.0006947000000000, 0.0008302100000000, -0.0001843200000000 ] - [ 0.0008277700000000, 0.0008470000000000, 0.0019152100000000 ] - [ 0.0011428400000000, 0.0000493400000000, 0.0025159800000000 ] - [ 0.0008964700000000, 0.0002963700000000, 0.0020340000000000 ] - [ -0.0010691700000000, 0.0000532200000000, 0.0031310700000000 ] - [ 0.0008073200000000, 0.0007599900000000, 0.0021605400000000 ] - [ 0.0011779500000000, 0.0005154400000000, 0.0019110800000000 ] - [ 0.0009381900000000, 0.0004894200000000, 0.0020779600000000 ] - [ -0.0016139900000000, 0.0013508200000000, -0.0003555200000000 ] - [ 0.0016139900000000, 0.0013508200000000, -0.0003555200000000 ] - [ 0.0004101300000000, -0.0005892800000000, -0.0011845500000000 ] - [ -0.0004101300000000, -0.0005892800000000, -0.0011845500000000 ] - [ -0.0001802100000000, -0.0000604800000000, -0.0008774000000000 ] - [ 0.0001802100000000, -0.0000604800000000, -0.0008774000000000 ] - [ 0.0000384100000000, -0.0004502000000000, -0.0010494300000000 ] - [ -0.0000384100000000, -0.0004502000000000, -0.0010494300000000 ] - [ -0.0008277700000000, 0.0008470000000000, 0.0019152100000000 ] - [ -0.0006947000000000, 0.0008302100000000, -0.0001843200000000 ] - [ -0.0008964700000000, 0.0002963700000000, 0.0020340000000000 ] - [ -0.0011428400000000, 0.0000493400000000, 0.0025159800000000 ] - [ -0.0008073200000000, 0.0007599900000000, 0.0021605400000000 ] - [ 0.0010691700000000, 0.0000532200000000, 0.0031310700000000 ] - [ -0.0009381900000000, 0.0004894200000000, 0.0020779600000000 ] - [ -0.0011779500000000, 0.0005154400000000, 0.0019110800000000 ] - [ 0.0011758700000000, -0.0007251700000000, 0.0019332200000000 ] - [ 0.0037807900000000, 0.0021418200000000, 0.0032665000000000 ] - [ 0.0006922100000000, -0.0006881600000000, 0.0020114500000000 ] - [ 0.0009845400000000, -0.0032236200000000, 0.0023260200000000 ] - [ 0.0009558500000000, -0.0006580900000000, 0.0023012700000000 ] - [ 0.0012054800000000, -0.0004999100000000, 0.0024178900000000 ] - [ 0.0007386800000000, -0.0005440900000000, 0.0020682500000000 ] - [ 0.0007138200000000, -0.0007545400000000, 0.0020744200000000 ] - [ 0.0000000000000000, 0.1218937800000000, -0.0454567700000000 ] - [ 0.0000000000000000, -0.0080771900000000, -0.0046820600000000 ] - [ 0.0000000000000000, -0.0116954300000000, -0.0055731700000000 ] - [ 0.0000000000000000, -0.0092613400000000, -0.0051018800000000 ] - [ 0.0000000000000000, -0.0090178200000000, -0.0044419100000000 ] - [ 0.0000000000000000, -0.0087372700000000, -0.0048145600000000 ] - [ 0.0000000000000000, -0.0093147500000000, -0.0046015300000000 ] - [ 0.0000000000000000, -0.0091606700000000, -0.0049016200000000 ] - [ 0.0011264700000000, 0.0103913800000000, -0.0042039900000000 ] - [ -0.0011264700000000, 0.0103913800000000, -0.0042039900000000 ] - [ -0.0004482700000000, 0.0084726400000000, -0.0052520000000000 ] - [ 0.0004482700000000, 0.0084726400000000, -0.0052520000000000 ] - [ 0.0014553800000000, 0.0112429000000000, -0.0049127600000000 ] - [ -0.0014553800000000, 0.0112429000000000, -0.0049127600000000 ] - [ -0.0011400400000000, 0.0082765300000000, -0.0046801300000000 ] - [ 0.0011400400000000, 0.0082765300000000, -0.0046801300000000 ] - [ 0.0000000000000000, -0.1429429300000000, 0.0394820400000000 ] - [ 0.0000000000000000, 0.0058349500000000, 0.0000087100000000 ] - [ 0.0000000000000000, 0.0095582200000000, -0.0010167300000000 ] - [ 0.0000000000000000, 0.0069250900000000, -0.0003840000000000 ] - [ 0.0000000000000000, 0.0059309700000000, -0.0009497600000000 ] - [ 0.0000000000000000, 0.0063673800000000, -0.0002925300000000 ] - [ 0.0000000000000000, 0.0072245500000000, -0.0004566600000000 ] - [ 0.0000000000000000, 0.0068638400000000, -0.0004066300000000 ] - [ 0.0000000000000000, 0.0014984800000000, -0.0000474400000000 ] - [ 0.0000000000000000, 0.0019048500000000, -0.0003222100000000 ] - [ 0.0000000000000000, 0.0022271000000000, -0.0006723500000000 ] - [ 0.0000000000000000, 0.0021247400000000, -0.0002880800000000 ] - [ 0.0000000000000000, -0.0021403800000000, -0.0130363400000000 ] - [ 0.0000000000000000, 0.0019851600000000, -0.0003674500000000 ] - [ 0.0000000000000000, 0.0021943700000000, 0.0006725200000000 ] - [ 0.0000000000000000, 0.0020703200000000, -0.0000465200000000 ] - [ 0.0139690100000000, 0.0087519300000000, 0.0049237200000000 ] - [ 0.0031824200000000, 0.0019790200000000, 0.0010716900000000 ] - [ 0.0042841300000000, 0.0046322400000000, 0.0016134100000000 ] - [ 0.0039806000000000, 0.0024345700000000, 0.0012504200000000 ] - [ 0.0040080300000000, 0.0023050200000000, 0.0007147700000000 ] - [ 0.0036504500000000, 0.0021303100000000, 0.0010969000000000 ] - [ 0.0037957100000000, 0.0023529600000000, 0.0012120800000000 ] - [ 0.0038382000000000, 0.0023916900000000, 0.0011597400000000 ] - [ -0.0060198400000000, -0.0025963000000000, 0.0005209300000000 ] - [ -0.0031015300000000, -0.0018430400000000, 0.0008951300000000 ] - [ -0.0033703400000000, -0.0017021000000000, 0.0012382300000000 ] - [ -0.0039600600000000, -0.0023633300000000, 0.0012487700000000 ] - [ -0.0059164200000000, -0.0031607900000000, 0.0031575700000000 ] - [ -0.0036562300000000, -0.0021919500000000, 0.0012128300000000 ] - [ -0.0026693700000000, -0.0011632200000000, 0.0004938600000000 ] - [ -0.0040848000000000, -0.0024577200000000, 0.0012738700000000 ] - [ -0.0010446300000000, -0.0022265900000000, -0.0011854300000000 ] - [ 0.0010446300000000, -0.0022265900000000, -0.0011854300000000 ] - [ 0.0001111700000000, -0.0016082800000000, 0.0001708400000000 ] - [ -0.0001111700000000, -0.0016082800000000, 0.0001708400000000 ] - [ 0.0000259200000000, -0.0021195800000000, -0.0001061300000000 ] - [ -0.0000259200000000, -0.0021195800000000, -0.0001061300000000 ] - [ 0.0000037700000000, -0.0019921000000000, -0.0005416000000000 ] - [ -0.0000037700000000, -0.0019921000000000, -0.0005416000000000 ] - [ 0.0002483900000000, -0.0085322500000000, -0.0005038000000000 ] - [ -0.0002483900000000, -0.0085322500000000, -0.0005038000000000 ] - [ -0.0000601200000000, -0.0058413200000000, -0.0001542400000000 ] - [ 0.0000601200000000, -0.0058413200000000, -0.0001542400000000 ] - [ 0.0005023200000000, -0.0085372900000000, -0.0010545800000000 ] - [ -0.0005023200000000, -0.0085372900000000, -0.0010545800000000 ] - [ -0.0000652800000000, -0.0058384400000000, -0.0000641500000000 ] - [ 0.0000652800000000, -0.0058384400000000, -0.0000641500000000 ] - [ 0.0031015300000000, -0.0018430400000000, 0.0008951300000000 ] - [ 0.0060198400000000, -0.0025963000000000, 0.0005209300000000 ] - [ 0.0039600600000000, -0.0023633300000000, 0.0012487700000000 ] - [ 0.0033703400000000, -0.0017021000000000, 0.0012382300000000 ] - [ 0.0036562300000000, -0.0021919500000000, 0.0012128300000000 ] - [ 0.0059164200000000, -0.0031607900000000, 0.0031575700000000 ] - [ 0.0040848000000000, -0.0024577200000000, 0.0012738700000000 ] - [ 0.0026693700000000, -0.0011632200000000, 0.0004938600000000 ] - [ -0.0031824200000000, 0.0019790200000000, 0.0010716900000000 ] - [ -0.0139690100000000, 0.0087519300000000, 0.0049237200000000 ] - [ -0.0039806000000000, 0.0024345700000000, 0.0012504200000000 ] - [ -0.0042841300000000, 0.0046322400000000, 0.0016134100000000 ] - [ -0.0036504500000000, 0.0021303100000000, 0.0010969000000000 ] - [ -0.0040080300000000, 0.0023050200000000, 0.0007147700000000 ] - [ -0.0038382000000000, 0.0023916900000000, 0.0011597400000000 ] - [ -0.0037957100000000, 0.0023529600000000, 0.0012120800000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0005984300000000, -0.0054502100000000 ] - [ 0.0000000000000000, 0.0000288900000000, -0.0009417900000000 ] - [ 0.0000000000000000, 0.0006267500000000, -0.0012216800000000 ] - [ 0.0000000000000000, 0.0003387300000000, -0.0010649400000000 ] - [ 0.0000000000000000, -0.0028532800000000, -0.0004010000000000 ] - [ 0.0000000000000000, 0.0001414300000000, -0.0010822900000000 ] - [ 0.0000000000000000, 0.0008244100000000, -0.0010254300000000 ] - [ 0.0000000000000000, 0.0003885200000000, -0.0010944700000000 ] - [ 0.0023033700000000, -0.0035120700000000, 0.0007926800000000 ] - [ -0.0005511500000000, -0.0005168700000000, 0.0022110900000000 ] - [ -0.0007446000000000, 0.0019675200000000, 0.0018233000000000 ] - [ -0.0010315000000000, -0.0005559900000000, 0.0021354500000000 ] - [ -0.0005167600000000, -0.0007384600000000, 0.0017341000000000 ] - [ -0.0007648200000000, -0.0005836400000000, 0.0018500000000000 ] - [ -0.0010054600000000, -0.0004872000000000, 0.0020743500000000 ] - [ -0.0009831400000000, -0.0006952800000000, 0.0020811300000000 ] - [ 0.0010332300000000, 0.0004181700000000, 0.0043167700000000 ] - [ 0.0008936900000000, 0.0003954200000000, 0.0022272400000000 ] - [ 0.0005768600000000, 0.0011909900000000, 0.0016240100000000 ] - [ 0.0008221900000000, 0.0009423800000000, 0.0021110800000000 ] - [ 0.0027813200000000, 0.0011830900000000, 0.0010248000000000 ] - [ 0.0009131400000000, 0.0004820600000000, 0.0019897300000000 ] - [ 0.0005405000000000, 0.0007251400000000, 0.0022403100000000 ] - [ 0.0007825900000000, 0.0007520500000000, 0.0020698600000000 ] - [ 0.0016098300000000, -0.0018357200000000, -0.0017355800000000 ] - [ -0.0016098300000000, -0.0018357200000000, -0.0017355800000000 ] - [ -0.0004115500000000, 0.0000893300000000, -0.0009120900000000 ] - [ 0.0004115500000000, 0.0000893300000000, -0.0009120900000000 ] - [ 0.0001793600000000, -0.0004438400000000, -0.0012159300000000 ] - [ -0.0001793600000000, -0.0004438400000000, -0.0012159300000000 ] - [ -0.0000369300000000, -0.0000548300000000, -0.0010434800000000 ] - [ 0.0000369300000000, -0.0000548300000000, -0.0010434800000000 ] - [ -0.0008936900000000, 0.0003954200000000, 0.0022272400000000 ] - [ -0.0010332300000000, 0.0004181700000000, 0.0043167700000000 ] - [ -0.0008221900000000, 0.0009423800000000, 0.0021110800000000 ] - [ -0.0005768600000000, 0.0011909900000000, 0.0016240100000000 ] - [ -0.0009131400000000, 0.0004820600000000, 0.0019897300000000 ] - [ -0.0027813200000000, 0.0011830900000000, 0.0010248000000000 ] - [ -0.0007825900000000, 0.0007520500000000, 0.0020698600000000 ] - [ -0.0005405000000000, 0.0007251400000000, 0.0022403100000000 ] - [ 0.0005511500000000, -0.0005168700000000, 0.0022110900000000 ] - [ -0.0023033700000000, -0.0035120700000000, 0.0007926800000000 ] - [ 0.0010315000000000, -0.0005559900000000, 0.0021354500000000 ] - [ 0.0007446000000000, 0.0019675200000000, 0.0018233000000000 ] - [ 0.0007648200000000, -0.0005836400000000, 0.0018500000000000 ] - [ 0.0005167600000000, -0.0007384600000000, 0.0017341000000000 ] - [ 0.0009831400000000, -0.0006952800000000, 0.0020811300000000 ] - [ 0.0010054600000000, -0.0004872000000000, 0.0020743500000000 ] - [ 0.0000000000000000, -0.1342277500000000, 0.0332840400000000 ] - [ 0.0000000000000000, -0.0098356700000000, -0.0052098000000000 ] - [ 0.0000000000000000, -0.0062392600000000, -0.0043221700000000 ] - [ 0.0000000000000000, -0.0086639600000000, -0.0047924800000000 ] - [ 0.0000000000000000, -0.0089142200000000, -0.0054149700000000 ] - [ 0.0000000000000000, -0.0091798600000000, -0.0050771300000000 ] - [ 0.0000000000000000, -0.0086105300000000, -0.0052917200000000 ] - [ 0.0000000000000000, -0.0087637200000000, -0.0049879600000000 ] - [ -0.0011148200000000, 0.0075344500000000, -0.0056571700000000 ] - [ 0.0011148200000000, 0.0075344500000000, -0.0056571700000000 ] - [ 0.0004461800000000, 0.0094486100000000, -0.0046443100000000 ] - [ -0.0004461800000000, 0.0094486100000000, -0.0046443100000000 ] - [ -0.0014503600000000, 0.0066902400000000, -0.0049781500000000 ] - [ 0.0014503600000000, 0.0066902400000000, -0.0049781500000000 ] - [ 0.0011328600000000, 0.0096441600000000, -0.0052078100000000 ] - [ -0.0011328600000000, 0.0096441600000000, -0.0052078100000000 ] - [ 0.0000000000000000, 0.1508388300000000, -0.0376206900000000 ] - [ 0.0000000000000000, 0.0073844100000000, -0.0006302100000000 ] - [ 0.0000000000000000, 0.0036545500000000, 0.0003994300000000 ] - [ 0.0000000000000000, 0.0062933800000000, -0.0002381300000000 ] - [ 0.0000000000000000, 0.0072628300000000, 0.0003330700000000 ] - [ 0.0000000000000000, 0.0068444200000000, -0.0003225700000000 ] - [ 0.0000000000000000, 0.0060096600000000, -0.0001695800000000 ] - [ 0.0000000000000000, 0.0063468900000000, -0.0002104900000000 ] - [ 0.0000000000000000, 0.0025235400000000, -0.0004158300000000 ] - [ 0.0000000000000000, 0.0021269300000000, -0.0000701400000000 ] - [ 0.0000000000000000, 0.0018015800000000, 0.0003057600000000 ] - [ 0.0000000000000000, 0.0019049800000000, -0.0001041900000000 ] - [ 0.0000000000000000, 0.0060628400000000, 0.0125088100000000 ] - [ 0.0000000000000000, 0.0020485800000000, -0.0000112500000000 ] - [ 0.0000000000000000, 0.0018372800000000, -0.0010718600000000 ] - [ 0.0000000000000000, 0.0019624200000000, -0.0003412200000000 ] - [ -0.0062865400000000, -0.0041733600000000, -0.0025204900000000 ] - [ 0.0043583100000000, 0.0025373600000000, 0.0012708600000000 ] - [ 0.0032800400000000, -0.0001074900000000, 0.0007379000000000 ] - [ 0.0035732300000000, 0.0020857400000000, 0.0010965200000000 ] - [ 0.0035640000000000, 0.0022279100000000, 0.0016402000000000 ] - [ 0.0039014500000000, 0.0023906800000000, 0.0012557200000000 ] - [ 0.0037509400000000, 0.0021604700000000, 0.0011361100000000 ] - [ 0.0037245700000000, 0.0021302000000000, 0.0011927900000000 ] - [ -0.0015666400000000, -0.0019319400000000, 0.0018318300000000 ] - [ -0.0044760900000000, -0.0026876700000000, 0.0014611800000000 ] - [ -0.0041718200000000, -0.0028035200000000, 0.0011091400000000 ] - [ -0.0035855100000000, -0.0021470800000000, 0.0010994100000000 ] - [ -0.0016546000000000, -0.0013645900000000, -0.0007896200000000 ] - [ -0.0039090100000000, -0.0023346000000000, 0.0011397300000000 ] - [ -0.0048655400000000, -0.0033457800000000, 0.0018484000000000 ] - [ -0.0034597400000000, -0.0020583500000000, 0.0010723300000000 ] - [ 0.0010183700000000, -0.0018053900000000, 0.0007420800000000 ] - [ -0.0010183700000000, -0.0018053900000000, 0.0007420800000000 ] - [ -0.0001119700000000, -0.0024226900000000, -0.0005373000000000 ] - [ 0.0001119700000000, -0.0024226900000000, -0.0005373000000000 ] - [ -0.0000258300000000, -0.0019146300000000, -0.0002948600000000 ] - [ 0.0000258300000000, -0.0019146300000000, -0.0002948600000000 ] - [ -0.0000027600000000, -0.0020347600000000, 0.0001677500000000 ] - [ 0.0000027600000000, -0.0020347600000000, 0.0001677500000000 ] - [ -0.0002488200000000, -0.0046651300000000, -0.0001060900000000 ] - [ 0.0002488200000000, -0.0046651300000000, -0.0001060900000000 ] - [ 0.0000598300000000, -0.0073890500000000, -0.0004647800000000 ] - [ -0.0000598300000000, -0.0073890500000000, -0.0004647800000000 ] - [ -0.0004998800000000, -0.0046772900000000, 0.0004375000000000 ] - [ 0.0004998800000000, -0.0046772900000000, 0.0004375000000000 ] - [ 0.0000648200000000, -0.0073913500000000, -0.0005611300000000 ] - [ -0.0000648200000000, -0.0073913500000000, -0.0005611300000000 ] - [ 0.0044760900000000, -0.0026876700000000, 0.0014611800000000 ] - [ 0.0015666400000000, -0.0019319400000000, 0.0018318300000000 ] - [ 0.0035855100000000, -0.0021470800000000, 0.0010994100000000 ] - [ 0.0041718200000000, -0.0028035200000000, 0.0011091400000000 ] - [ 0.0039090100000000, -0.0023346000000000, 0.0011397300000000 ] - [ 0.0016546000000000, -0.0013645900000000, -0.0007896200000000 ] - [ 0.0034597400000000, -0.0020583500000000, 0.0010723300000000 ] - [ 0.0048655400000000, -0.0033457800000000, 0.0018484000000000 ] - [ -0.0043583100000000, 0.0025373600000000, 0.0012708600000000 ] - [ 0.0062865400000000, -0.0041733600000000, -0.0025204900000000 ] - [ -0.0035732300000000, 0.0020857400000000, 0.0010965200000000 ] - [ -0.0032800400000000, -0.0001074900000000, 0.0007379000000000 ] - [ -0.0039014500000000, 0.0023906800000000, 0.0012557200000000 ] - [ -0.0035640000000000, 0.0022279100000000, 0.0016402000000000 ] - [ -0.0037245700000000, 0.0021302000000000, 0.0011927900000000 ] - [ -0.0037509400000000, 0.0021604700000000, 0.0011361100000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0005141000000000, 0.0116566000000000 ] - [ 0.0000000000000000, 0.0001149600000000, -0.0009595900000000 ] - [ 0.0000000000000000, 0.0003360000000000, -0.0010005000000000 ] - [ 0.0000000000000000, 0.0002730900000000, -0.0010363400000000 ] - [ 0.0000000000000000, -0.0006542900000000, -0.0021832900000000 ] - [ 0.0000000000000000, 0.0002779900000000, -0.0011016500000000 ] - [ 0.0000000000000000, 0.0004053300000000, -0.0011137100000000 ] - [ 0.0000000000000000, 0.0002963400000000, -0.0010787700000000 ] - [ -0.0063219800000000, 0.0030540200000000, 0.0044027700000000 ] - [ -0.0007295500000000, -0.0005436300000000, 0.0022375000000000 ] - [ -0.0007705100000000, 0.0000681400000000, 0.0019350300000000 ] - [ -0.0009066400000000, -0.0005957000000000, 0.0021116300000000 ] - [ -0.0009662000000000, -0.0006036400000000, 0.0017977200000000 ] - [ -0.0008818600000000, -0.0006524800000000, 0.0018656100000000 ] - [ -0.0009368600000000, -0.0007292800000000, 0.0020650300000000 ] - [ -0.0009039600000000, -0.0006565900000000, 0.0020542700000000 ] - [ 0.0006859500000000, 0.0002348000000000, 0.0027915500000000 ] - [ 0.0009303300000000, 0.0005018500000000, 0.0021648500000000 ] - [ 0.0007918700000000, 0.0009546000000000, 0.0020642800000000 ] - [ 0.0008677800000000, 0.0008081400000000, 0.0021327400000000 ] - [ 0.0015851700000000, 0.0007969500000000, 0.0014997700000000 ] - [ 0.0007990300000000, 0.0006347600000000, 0.0019983100000000 ] - [ 0.0007967600000000, 0.0005622200000000, 0.0020215900000000 ] - [ 0.0008082000000000, 0.0005930700000000, 0.0020365000000000 ] - [ 0.0007133800000000, -0.0007948900000000, -0.0011464000000000 ] - [ -0.0007133800000000, -0.0007948900000000, -0.0011464000000000 ] - [ -0.0000436200000000, -0.0001997500000000, -0.0010047200000000 ] - [ 0.0000436200000000, -0.0001997500000000, -0.0010047200000000 ] - [ -0.0000750600000000, -0.0001694300000000, -0.0012025700000000 ] - [ 0.0000750600000000, -0.0001694300000000, -0.0012025700000000 ] - [ -0.0000173900000000, -0.0001691100000000, -0.0010736400000000 ] - [ 0.0000173900000000, -0.0001691100000000, -0.0010736400000000 ] - [ -0.0009303300000000, 0.0005018500000000, 0.0021648500000000 ] - [ -0.0006859500000000, 0.0002348000000000, 0.0027915500000000 ] - [ -0.0008677800000000, 0.0008081400000000, 0.0021327400000000 ] - [ -0.0007918700000000, 0.0009546000000000, 0.0020642800000000 ] - [ -0.0007990300000000, 0.0006347600000000, 0.0019983100000000 ] - [ -0.0015851700000000, 0.0007969500000000, 0.0014997700000000 ] - [ -0.0008082000000000, 0.0005930700000000, 0.0020365000000000 ] - [ -0.0007967600000000, 0.0005622200000000, 0.0020215900000000 ] - [ 0.0007295500000000, -0.0005436300000000, 0.0022375000000000 ] - [ 0.0063219800000000, 0.0030540200000000, 0.0044027700000000 ] - [ 0.0009066400000000, -0.0005957000000000, 0.0021116300000000 ] - [ 0.0007705100000000, 0.0000681400000000, 0.0019350300000000 ] - [ 0.0008818600000000, -0.0006524800000000, 0.0018656100000000 ] - [ 0.0009662000000000, -0.0006036400000000, 0.0017977200000000 ] - [ 0.0009039600000000, -0.0006565900000000, 0.0020542700000000 ] - [ 0.0009368600000000, -0.0007292800000000, 0.0020650300000000 ] - [ 0.0000000000000000, -0.0485942700000000, 0.0244568100000000 ] - [ 0.0000000000000000, -0.0093075800000000, -0.0049404900000000 ] - [ 0.0000000000000000, -0.0086687900000000, -0.0046831600000000 ] - [ 0.0000000000000000, -0.0088847800000000, -0.0048607800000000 ] - [ 0.0000000000000000, -0.0084399200000000, -0.0067939400000000 ] - [ 0.0000000000000000, -0.0089883200000000, -0.0050792200000000 ] - [ 0.0000000000000000, -0.0088625500000000, -0.0050787700000000 ] - [ 0.0000000000000000, -0.0089015100000000, -0.0050156900000000 ] - [ -0.0011915000000000, 0.0081345000000000, -0.0043439700000000 ] - [ 0.0011915000000000, 0.0081345000000000, -0.0043439700000000 ] - [ 0.0000506200000000, 0.0090821600000000, -0.0047625100000000 ] - [ -0.0000506200000000, 0.0090821600000000, -0.0047625100000000 ] - [ 0.0004854600000000, 0.0089660800000000, -0.0052678000000000 ] - [ -0.0004854600000000, 0.0089660800000000, -0.0052678000000000 ] - [ 0.0003574800000000, 0.0091693600000000, -0.0051425600000000 ] - [ -0.0003574800000000, 0.0091693600000000, -0.0051425600000000 ] - [ 0.0000000000000000, 0.0450363500000000, -0.0483745000000000 ] - [ 0.0000000000000000, 0.0069284000000000, -0.0005159700000000 ] - [ 0.0000000000000000, 0.0058920300000000, -0.0003518300000000 ] - [ 0.0000000000000000, 0.0065330300000000, -0.0003102300000000 ] - [ 0.0000000000000000, 0.0059466000000000, 0.0003473400000000 ] - [ 0.0000000000000000, 0.0066249500000000, -0.0002451600000000 ] - [ 0.0000000000000000, 0.0064801800000000, -0.0002344200000000 ] - [ 0.0000000000000000, 0.0065091300000000, -0.0002613700000000 ] - [ 0.0000000000000000, 0.0028559100000000, 0.0025366800000000 ] - [ 0.0000000000000000, 0.0020812000000000, -0.0000332500000000 ] - [ 0.0000000000000000, 0.0019058900000000, 0.0000141600000000 ] - [ 0.0000000000000000, 0.0019543400000000, -0.0000845500000000 ] - [ 0.0000000000000000, -0.0041749500000000, 0.0042033000000000 ] - [ 0.0000000000000000, 0.0020081000000000, -0.0002363500000000 ] - [ 0.0000000000000000, 0.0020482500000000, -0.0003788900000000 ] - [ 0.0000000000000000, 0.0020193700000000, -0.0002946400000000 ] - [ -0.0008361100000000, 0.0031420300000000, -0.0017350300000000 ] - [ 0.0039585300000000, 0.0023604100000000, 0.0011609900000000 ] - [ 0.0034929100000000, 0.0018776900000000, 0.0009142500000000 ] - [ 0.0037162000000000, 0.0021981100000000, 0.0011112300000000 ] - [ 0.0041864100000000, 0.0025081900000000, 0.0015877700000000 ] - [ 0.0038177700000000, 0.0022949400000000, 0.0012397300000000 ] - [ 0.0037808100000000, 0.0021898300000000, 0.0012201100000000 ] - [ 0.0037809900000000, 0.0022261200000000, 0.0012215800000000 ] - [ -0.0017339800000000, -0.0021566400000000, 0.0016630400000000 ] - [ -0.0043079000000000, -0.0025623000000000, 0.0013280800000000 ] - [ -0.0038135400000000, -0.0023091400000000, 0.0010998000000000 ] - [ -0.0037337100000000, -0.0022186700000000, 0.0011577800000000 ] - [ -0.0045608500000000, -0.0022574700000000, 0.0016449100000000 ] - [ -0.0036168200000000, -0.0021637400000000, 0.0010858000000000 ] - [ -0.0041833600000000, -0.0026323400000000, 0.0013523900000000 ] - [ -0.0036548500000000, -0.0022151100000000, 0.0011350600000000 ] - [ 0.0002489400000000, -0.0019665300000000, -0.0005990700000000 ] - [ -0.0002489400000000, -0.0019665300000000, -0.0005990700000000 ] - [ -0.0000409000000000, -0.0021266200000000, -0.0003945300000000 ] - [ 0.0000409000000000, -0.0021266200000000, -0.0003945300000000 ] - [ 0.0000449900000000, -0.0020118600000000, 0.0003048300000000 ] - [ -0.0000449900000000, -0.0020118600000000, 0.0003048300000000 ] - [ 0.0000215500000000, -0.0019964800000000, 0.0000679200000000 ] - [ -0.0000215500000000, -0.0019964800000000, 0.0000679200000000 ] - [ -0.0000284200000000, -0.0058456400000000, -0.0002612000000000 ] - [ 0.0000284200000000, -0.0058456400000000, -0.0002612000000000 ] - [ 0.0000186100000000, -0.0068624100000000, -0.0003763200000000 ] - [ -0.0000186100000000, -0.0068624100000000, -0.0003763200000000 ] - [ -0.0001476500000000, -0.0064121300000000, -0.0002668300000000 ] - [ 0.0001476500000000, -0.0064121300000000, -0.0002668300000000 ] - [ 0.0000129000000000, -0.0067746200000000, -0.0003811900000000 ] - [ -0.0000129000000000, -0.0067746200000000, -0.0003811900000000 ] - [ 0.0043079000000000, -0.0025623000000000, 0.0013280800000000 ] - [ 0.0017339800000000, -0.0021566400000000, 0.0016630400000000 ] - [ 0.0037337100000000, -0.0022186700000000, 0.0011577800000000 ] - [ 0.0038135400000000, -0.0023091400000000, 0.0010998000000000 ] - [ 0.0036168200000000, -0.0021637400000000, 0.0010858000000000 ] - [ 0.0045608500000000, -0.0022574700000000, 0.0016449100000000 ] - [ 0.0036548500000000, -0.0022151100000000, 0.0011350600000000 ] - [ 0.0041833600000000, -0.0026323400000000, 0.0013523900000000 ] - [ -0.0039585300000000, 0.0023604100000000, 0.0011609900000000 ] - [ 0.0008361100000000, 0.0031420300000000, -0.0017350300000000 ] - [ -0.0037162000000000, 0.0021981100000000, 0.0011112300000000 ] - [ -0.0034929100000000, 0.0018776900000000, 0.0009142500000000 ] - [ -0.0038177700000000, 0.0022949400000000, 0.0012397300000000 ] - [ -0.0041864100000000, 0.0025081900000000, 0.0015877700000000 ] - [ -0.0037809900000000, 0.0022261200000000, 0.0012215800000000 ] - [ -0.0037808100000000, 0.0021898300000000, 0.0012201100000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0009599800000000, -0.0130324600000000 ] - [ 0.0000000000000000, 0.0003851100000000, -0.0011411800000000 ] - [ 0.0000000000000000, 0.0001627700000000, -0.0011020600000000 ] - [ 0.0000000000000000, 0.0002301600000000, -0.0010634700000000 ] - [ 0.0000000000000000, 0.0011620700000000, 0.0000697200000000 ] - [ 0.0000000000000000, 0.0002266000000000, -0.0009949900000000 ] - [ 0.0000000000000000, 0.0000979700000000, -0.0009785200000000 ] - [ 0.0000000000000000, 0.0002052800000000, -0.0010178000000000 ] - [ 0.0046015800000000, -0.0043153800000000, -0.0001898700000000 ] - [ -0.0009959900000000, -0.0006975000000000, 0.0019119600000000 ] - [ -0.0009561400000000, -0.0013033800000000, 0.0022102300000000 ] - [ -0.0008201100000000, -0.0006496800000000, 0.0020360200000000 ] - [ -0.0007622400000000, -0.0006330300000000, 0.0023475800000000 ] - [ -0.0008427700000000, -0.0005897700000000, 0.0022783900000000 ] - [ -0.0007842600000000, -0.0005185900000000, 0.0020809600000000 ] - [ -0.0008196400000000, -0.0005865300000000, 0.0020923800000000 ] - [ 0.0010318100000000, 0.0010028100000000, 0.0013596300000000 ] - [ 0.0007932400000000, 0.0007384500000000, 0.0019771900000000 ] - [ 0.0009314800000000, 0.0002920400000000, 0.0020753200000000 ] - [ 0.0008525100000000, 0.0004362600000000, 0.0020106900000000 ] - [ 0.0001343900000000, 0.0004492500000000, 0.0026409800000000 ] - [ 0.0009192900000000, 0.0006070000000000, 0.0021480000000000 ] - [ 0.0009208500000000, 0.0006775200000000, 0.0021276700000000 ] - [ 0.0009108300000000, 0.0006475400000000, 0.0021095100000000 ] - [ -0.0007070600000000, 0.0002956000000000, -0.0009492700000000 ] - [ 0.0007070600000000, 0.0002956000000000, -0.0009492700000000 ] - [ 0.0000420500000000, -0.0002975300000000, -0.0010905300000000 ] - [ -0.0000420500000000, -0.0002975300000000, -0.0010905300000000 ] - [ 0.0000724200000000, -0.0003298100000000, -0.0008950900000000 ] - [ -0.0000724200000000, -0.0003298100000000, -0.0008950900000000 ] - [ 0.0000196600000000, -0.0003333600000000, -0.0010219600000000 ] - [ -0.0000196600000000, -0.0003333600000000, -0.0010219600000000 ] - [ -0.0007932400000000, 0.0007384500000000, 0.0019771900000000 ] - [ -0.0010318100000000, 0.0010028100000000, 0.0013596300000000 ] - [ -0.0008525100000000, 0.0004362600000000, 0.0020106900000000 ] - [ -0.0009314800000000, 0.0002920400000000, 0.0020753200000000 ] - [ -0.0009192900000000, 0.0006070000000000, 0.0021480000000000 ] - [ -0.0001343900000000, 0.0004492500000000, 0.0026409800000000 ] - [ -0.0009108300000000, 0.0006475400000000, 0.0021095100000000 ] - [ -0.0009208500000000, 0.0006775200000000, 0.0021276700000000 ] - [ 0.0009959900000000, -0.0006975000000000, 0.0019119600000000 ] - [ -0.0046015800000000, -0.0043153800000000, -0.0001898700000000 ] - [ 0.0008201100000000, -0.0006496800000000, 0.0020360200000000 ] - [ 0.0009561400000000, -0.0013033800000000, 0.0022102300000000 ] - [ 0.0008427700000000, -0.0005897700000000, 0.0022783900000000 ] - [ 0.0007622400000000, -0.0006330300000000, 0.0023475800000000 ] - [ 0.0008196400000000, -0.0005865300000000, 0.0020923800000000 ] - [ 0.0007842600000000, -0.0005185900000000, 0.0020809600000000 ] - [ 0.0000000000000000, 0.0308922300000000, -0.0340254100000000 ] - [ 0.0000000000000000, -0.0086204400000000, -0.0049584700000000 ] - [ 0.0000000000000000, -0.0092549000000000, -0.0052137700000000 ] - [ 0.0000000000000000, -0.0090405200000000, -0.0050357400000000 ] - [ 0.0000000000000000, -0.0094787400000000, -0.0031117500000000 ] - [ 0.0000000000000000, -0.0089346200000000, -0.0048178700000000 ] - [ 0.0000000000000000, -0.0090647900000000, -0.0048199800000000 ] - [ 0.0000000000000000, -0.0090198500000000, -0.0048756700000000 ] - [ 0.0011892500000000, 0.0097843200000000, -0.0055401700000000 ] - [ -0.0011892500000000, 0.0097843200000000, -0.0055401700000000 ] - [ -0.0000516100000000, 0.0088427000000000, -0.0051329800000000 ] - [ 0.0000516100000000, 0.0088427000000000, -0.0051329800000000 ] - [ -0.0004828300000000, 0.0089661900000000, -0.0046308400000000 ] - [ 0.0004828300000000, 0.0089661900000000, -0.0046308400000000 ] - [ -0.0003591800000000, 0.0087552000000000, -0.0047538500000000 ] - [ 0.0003591800000000, 0.0087552000000000, -0.0047538500000000 ] - [ 0.0000000000000000, -0.0320289900000000, 0.0466611800000000 ] - [ 0.0000000000000000, 0.0062946900000000, -0.0001100800000000 ] - [ 0.0000000000000000, 0.0073153500000000, -0.0002675400000000 ] - [ 0.0000000000000000, 0.0066863500000000, -0.0003146300000000 ] - [ 0.0000000000000000, 0.0072397700000000, -0.0009537000000000 ] - [ 0.0000000000000000, 0.0065881100000000, -0.0003712700000000 ] - [ 0.0000000000000000, 0.0067804900000000, -0.0004026900000000 ] - [ 0.0000000000000000, 0.0067158500000000, -0.0003621500000000 ] - [ 0.0000000000000000, 0.0011828600000000, -0.0029163700000000 ] - [ 0.0000000000000000, 0.0019511400000000, -0.0003466700000000 ] - [ 0.0000000000000000, 0.0021206700000000, -0.0003428400000000 ] - [ 0.0000000000000000, 0.0020735000000000, -0.0002832300000000 ] - [ 0.0000000000000000, 0.0083080100000000, -0.0046628300000000 ] - [ 0.0000000000000000, 0.0020253300000000, -0.0001373700000000 ] - [ 0.0000000000000000, 0.0019843600000000, -0.0000032300000000 ] - [ 0.0000000000000000, 0.0020137500000000, -0.0000820000000000 ] - [ 0.0083777800000000, 0.0013589300000000, 0.0040653200000000 ] - [ 0.0035919200000000, 0.0021600500000000, 0.0011834200000000 ] - [ 0.0040611400000000, 0.0026409800000000, 0.0014326400000000 ] - [ 0.0038348000000000, 0.0023192900000000, 0.0012325300000000 ] - [ 0.0033880000000000, 0.0020255700000000, 0.0007734400000000 ] - [ 0.0037366100000000, 0.0022274500000000, 0.0011137600000000 ] - [ 0.0037436700000000, 0.0023092200000000, 0.0011191500000000 ] - [ 0.0037699200000000, 0.0022886000000000, 0.0011266000000000 ] - [ -0.0058278900000000, -0.0023752200000000, 0.0006961800000000 ] - [ -0.0032708500000000, -0.0019697200000000, 0.0010310500000000 ] - [ -0.0037279300000000, -0.0021972300000000, 0.0012436900000000 ] - [ -0.0038076200000000, -0.0022892500000000, 0.0011883400000000 ] - [ -0.0029967000000000, -0.0022654100000000, 0.0007040400000000 ] - [ -0.0039336100000000, -0.0023544200000000, 0.0012594100000000 ] - [ -0.0033454300000000, -0.0018742200000000, 0.0009900400000000 ] - [ -0.0038769900000000, -0.0022937700000000, 0.0012061200000000 ] - [ -0.0002523400000000, -0.0020637000000000, 0.0001878600000000 ] - [ 0.0002523400000000, -0.0020637000000000, 0.0001878600000000 ] - [ 0.0000393500000000, -0.0019065800000000, 0.0000369600000000 ] - [ -0.0000393500000000, -0.0019065800000000, 0.0000369600000000 ] - [ -0.0000442700000000, -0.0020221200000000, -0.0006703100000000 ] - [ 0.0000442700000000, -0.0020221200000000, -0.0006703100000000 ] - [ -0.0000202800000000, -0.0020294600000000, -0.0004127000000000 ] - [ 0.0000202800000000, -0.0020294600000000, -0.0004127000000000 ] - [ 0.0000297200000000, -0.0073472100000000, -0.0003496900000000 ] - [ -0.0000297200000000, -0.0073472100000000, -0.0003496900000000 ] - [ -0.0000187500000000, -0.0063756500000000, -0.0002463800000000 ] - [ 0.0000187500000000, -0.0063756500000000, -0.0002463800000000 ] - [ 0.0001489300000000, -0.0068139700000000, -0.0003546900000000 ] - [ -0.0001489300000000, -0.0068139700000000, -0.0003546900000000 ] - [ -0.0000131700000000, -0.0064722700000000, -0.0002513100000000 ] - [ 0.0000131700000000, -0.0064722700000000, -0.0002513100000000 ] - [ 0.0032708500000000, -0.0019697200000000, 0.0010310500000000 ] - [ 0.0058278900000000, -0.0023752200000000, 0.0006961800000000 ] - [ 0.0038076200000000, -0.0022892500000000, 0.0011883400000000 ] - [ 0.0037279300000000, -0.0021972300000000, 0.0012436900000000 ] - [ 0.0039336100000000, -0.0023544200000000, 0.0012594100000000 ] - [ 0.0029967000000000, -0.0022654100000000, 0.0007040400000000 ] - [ 0.0038769900000000, -0.0022937700000000, 0.0012061200000000 ] - [ 0.0033454300000000, -0.0018742200000000, 0.0009900400000000 ] - [ -0.0035919200000000, 0.0021600500000000, 0.0011834200000000 ] - [ -0.0083777800000000, 0.0013589300000000, 0.0040653200000000 ] - [ -0.0038348000000000, 0.0023192900000000, 0.0012325300000000 ] - [ -0.0040611400000000, 0.0026409800000000, 0.0014326400000000 ] - [ -0.0037366100000000, 0.0022274500000000, 0.0011137600000000 ] - [ -0.0033880000000000, 0.0020255700000000, 0.0007734400000000 ] - [ -0.0037699200000000, 0.0022886000000000, 0.0011266000000000 ] - [ -0.0037436700000000, 0.0023092200000000, 0.0011191500000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000634500000000, 0.0002995000000000, -0.0010305400000000 ] - [ -0.0003179600000000, 0.0002486700000000, -0.0010470000000000 ] - [ 0.0001647700000000, 0.0002479300000000, -0.0010491900000000 ] - [ -0.0001281500000000, 0.0002491900000000, -0.0010462500000000 ] - [ -0.0000720900000000, 0.0002498000000000, -0.0010445900000000 ] - [ -0.0000478400000000, 0.0002496400000000, -0.0010491700000000 ] - [ 0.0000289400000000, 0.0002514400000000, -0.0010485100000000 ] - [ -0.0000255500000000, 0.0002481500000000, -0.0010500200000000 ] - [ -0.0007304900000000, -0.0005735800000000, 0.0021491500000000 ] - [ -0.0009903600000000, -0.0006694700000000, 0.0020094800000000 ] - [ -0.0007938700000000, -0.0006493300000000, 0.0021132800000000 ] - [ -0.0009212000000000, -0.0006373200000000, 0.0020434800000000 ] - [ -0.0008967400000000, -0.0004409900000000, 0.0018130700000000 ] - [ -0.0009143700000000, -0.0006370500000000, 0.0022298700000000 ] - [ -0.0009344800000000, -0.0004196000000000, 0.0019976800000000 ] - [ -0.0008788500000000, -0.0006246900000000, 0.0021323200000000 ] - [ 0.0139784700000000, 0.0072278500000000, -0.0047041400000000 ] - [ 0.0006902900000000, 0.0006978100000000, 0.0020204700000000 ] - [ 0.0009568600000000, 0.0007214400000000, 0.0021340900000000 ] - [ 0.0007674500000000, 0.0005020600000000, 0.0020303000000000 ] - [ 0.0008191300000000, 0.0006594700000000, 0.0021166800000000 ] - [ 0.0008384500000000, 0.0006264100000000, 0.0020634300000000 ] - [ 0.0008707700000000, 0.0006360600000000, 0.0020775100000000 ] - [ 0.0008494300000000, 0.0006035400000000, 0.0020701300000000 ] - [ -0.0000445800000000, -0.0003552400000000, -0.0009446300000000 ] - [ -0.0000410700000000, -0.0001463300000000, -0.0011503600000000 ] - [ 0.0000015500000000, -0.0003020200000000, -0.0010129000000000 ] - [ 0.0000057100000000, -0.0002015800000000, -0.0010822400000000 ] - [ -0.0000580700000000, -0.0004565500000000, -0.0012853800000000 ] - [ -0.0000610000000000, -0.0000432500000000, -0.0008134900000000 ] - [ -0.0000108000000000, -0.0002417700000000, -0.0011272900000000 ] - [ -0.0000109600000000, -0.0002571300000000, -0.0009730300000000 ] - [ -0.0010329100000000, 0.0005494600000000, 0.0021273500000000 ] - [ 0.0118454100000000, -0.0056997900000000, 0.0085584400000000 ] - [ -0.0009560800000000, 0.0007390900000000, 0.0021192100000000 ] - [ -0.0007668100000000, 0.0005186400000000, 0.0020102800000000 ] - [ -0.0008850000000000, 0.0006190900000000, 0.0020807300000000 ] - [ -0.0009019800000000, 0.0005864500000000, 0.0020313100000000 ] - [ -0.0008737300000000, 0.0006392700000000, 0.0020728800000000 ] - [ -0.0008493600000000, 0.0006060800000000, 0.0020681500000000 ] - [ 0.0007302300000000, -0.0005727200000000, 0.0021375200000000 ] - [ 0.0009939900000000, -0.0006705100000000, 0.0019998800000000 ] - [ 0.0007980100000000, -0.0006029000000000, 0.0021028500000000 ] - [ 0.0009286500000000, -0.0005916400000000, 0.0020348400000000 ] - [ 0.0008103900000000, -0.0006084400000000, 0.0019133200000000 ] - [ 0.0008218000000000, -0.0008051800000000, 0.0023288500000000 ] - [ 0.0008450200000000, -0.0006165600000000, 0.0020112300000000 ] - [ 0.0007874200000000, -0.0008196500000000, 0.0021447600000000 ] - [ 0.0010593300000000, -0.0089639000000000, -0.0049393600000000 ] - [ -0.0002079800000000, -0.0089611800000000, -0.0049482200000000 ] - [ 0.0002135900000000, -0.0089625400000000, -0.0049465300000000 ] - [ -0.0002225600000000, -0.0089619100000000, -0.0049469700000000 ] - [ 0.0181375200000000, -0.0089729300000000, -0.0053044900000000 ] - [ -0.0000891500000000, -0.0089600900000000, -0.0049468300000000 ] - [ 0.0001702700000000, -0.0089627600000000, -0.0049498600000000 ] - [ -0.0001306800000000, -0.0089604200000000, -0.0049482200000000 ] - [ 0.0002225300000000, 0.0097626800000000, -0.0047087000000000 ] - [ 0.0002069500000000, 0.0081539700000000, -0.0051870100000000 ] - [ -0.0003199800000000, 0.0088265100000000, -0.0047674200000000 ] - [ -0.0003167900000000, 0.0090921700000000, -0.0051221400000000 ] - [ 0.0000228800000000, 0.0090058000000000, -0.0050602700000000 ] - [ 0.0000267400000000, 0.0089169200000000, -0.0048330000000000 ] - [ -0.0000612400000000, 0.0089461000000000, -0.0048551300000000 ] - [ -0.0000599700000000, 0.0089737600000000, -0.0050360400000000 ] - [ -0.0001397500000000, 0.0066162400000000, -0.0003159500000000 ] - [ 0.0000834200000000, 0.0066275600000000, -0.0003174900000000 ] - [ -0.0000495000000000, 0.0066079300000000, -0.0003086900000000 ] - [ 0.0000410000000000, 0.0066194000000000, -0.0003123800000000 ] - [ -0.0003091000000000, 0.0066241300000000, -0.0003137200000000 ] - [ 0.0000602200000000, 0.0066137900000000, -0.0003096900000000 ] - [ -0.0000129900000000, 0.0066157900000000, -0.0003121900000000 ] - [ 0.0000227500000000, 0.0066079700000000, -0.0003084400000000 ] - [ -0.0405676400000000, 0.0016687300000000, 0.0004031300000000 ] - [ 0.0001786200000000, 0.0020160500000000, -0.0001842400000000 ] - [ -0.0000321400000000, 0.0020152100000000, -0.0001804700000000 ] - [ 0.0000626400000000, 0.0020148900000000, -0.0001899000000000 ] - [ -0.0000734400000000, 0.0020149200000000, -0.0001852000000000 ] - [ 0.0000132000000000, 0.0020153400000000, -0.0001711400000000 ] - [ -0.0000094100000000, 0.0020164900000000, -0.0001917000000000 ] - [ 0.0000108300000000, 0.0020171100000000, -0.0001807900000000 ] - [ 0.0032928300000000, 0.0020404900000000, 0.0004789300000000 ] - [ 0.0039594200000000, 0.0023211900000000, 0.0012547000000000 ] - [ 0.0036117700000000, 0.0021601000000000, 0.0010925200000000 ] - [ 0.0039399800000000, 0.0023670000000000, 0.0012606000000000 ] - [ 0.0006512700000000, 0.0005891000000000, 0.0066528800000000 ] - [ 0.0038475400000000, 0.0022948700000000, 0.0011828200000000 ] - [ 0.0036409400000000, 0.0021557400000000, 0.0011584600000000 ] - [ 0.0038876000000000, 0.0023356600000000, 0.0011855700000000 ] - [ -0.0036911400000000, -0.0023415500000000, 0.0012374000000000 ] - [ -0.0032395600000000, -0.0019615800000000, 0.0009371900000000 ] - [ -0.0033549000000000, -0.0017936800000000, 0.0012688700000000 ] - [ -0.0035946600000000, -0.0022179100000000, 0.0010873800000000 ] - [ -0.0038756600000000, -0.0022889400000000, 0.0011523700000000 ] - [ -0.0037138300000000, -0.0022323900000000, 0.0011822400000000 ] - [ -0.0037290300000000, -0.0022097500000000, 0.0011471400000000 ] - [ -0.0037476700000000, -0.0022532200000000, 0.0011781900000000 ] - [ 0.0000166600000000, -0.0020180300000000, -0.0006579800000000 ] - [ 0.0000163000000000, -0.0020126400000000, 0.0002501100000000 ] - [ -0.0000299600000000, -0.0019920000000000, -0.0004173900000000 ] - [ -0.0000292300000000, -0.0020420100000000, 0.0000211900000000 ] - [ 0.0000163800000000, -0.0020152100000000, -0.0000084300000000 ] - [ 0.0000178400000000, -0.0020182800000000, -0.0003646100000000 ] - [ -0.0000296100000000, -0.0020760600000000, -0.0002319500000000 ] - [ -0.0000300600000000, -0.0019544800000000, -0.0001384200000000 ] - [ 0.0009624900000000, -0.0076190400000000, -0.0005522300000000 ] - [ 0.0009534700000000, -0.0055797600000000, -0.0000602200000000 ] - [ -0.0000075100000000, -0.0064973700000000, -0.0002686500000000 ] - [ -0.0000062500000000, -0.0067053700000000, -0.0003441700000000 ] - [ 0.0000067400000000, -0.0065943200000000, -0.0003601100000000 ] - [ 0.0000065100000000, -0.0066337100000000, -0.0002641800000000 ] - [ 0.0000016400000000, -0.0066158200000000, -0.0003342500000000 ] - [ 0.0000013800000000, -0.0066113100000000, -0.0002898000000000 ] - [ 0.0043346400000000, -0.0025706000000000, 0.0014202200000000 ] - [ 0.0038805800000000, -0.0021875700000000, 0.0011236300000000 ] - [ 0.0039744600000000, -0.0023096300000000, 0.0012664800000000 ] - [ 0.0042068300000000, -0.0027308500000000, 0.0010844800000000 ] - [ 0.0038331400000000, -0.0022834800000000, 0.0011619200000000 ] - [ 0.0036706600000000, -0.0022267400000000, 0.0011909200000000 ] - [ 0.0037983600000000, -0.0022649400000000, 0.0011658500000000 ] - [ 0.0038161700000000, -0.0023090700000000, 0.0011972900000000 ] - [ -0.0035643000000000, 0.0021834400000000, 0.0010822800000000 ] - [ -0.0042509700000000, 0.0024762700000000, 0.0018647500000000 ] - [ -0.0035961600000000, 0.0021461100000000, 0.0010813600000000 ] - [ -0.0039414900000000, 0.0023619400000000, 0.0012572500000000 ] - [ -0.0036961700000000, 0.0022211900000000, 0.0011667400000000 ] - [ -0.0068997000000000, 0.0039471200000000, -0.0042619700000000 ] - [ -0.0036692500000000, 0.0021872700000000, 0.0011679300000000 ] - [ -0.0039036300000000, 0.0023623500000000, 0.0011899100000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0155817800000000, 0.0053973900000000 ] - [ 0.0000000000000000, 0.0003050700000000, -0.0010731000000000 ] - [ 0.0000000000000000, -0.0001667400000000, -0.0009460300000000 ] - [ 0.0000000000000000, 0.0001761100000000, -0.0010287200000000 ] - [ 0.0000000000000000, 0.0002019000000000, -0.0010198000000000 ] - [ 0.0000000000000000, 0.0002553000000000, -0.0010380300000000 ] - [ 0.0000000000000000, 0.0002688100000000, -0.0010612100000000 ] - [ 0.0000000000000000, 0.0002523100000000, -0.0010413500000000 ] - [ -0.0008733700000000, -0.0007151200000000, 0.0020166000000000 ] - [ -0.0009243800000000, -0.0006853500000000, 0.0020393200000000 ] - [ -0.0007847200000000, -0.0005712400000000, 0.0021673700000000 ] - [ -0.0007851300000000, -0.0005417700000000, 0.0021213400000000 ] - [ -0.0010592700000000, -0.0007599500000000, 0.0022298100000000 ] - [ -0.0008767900000000, -0.0006440400000000, 0.0021574700000000 ] - [ -0.0010669800000000, -0.0006674200000000, 0.0018035900000000 ] - [ -0.0008447400000000, -0.0005786300000000, 0.0019819500000000 ] - [ 0.0072313500000000, 0.0036164500000000, -0.0012199800000000 ] - [ 0.0008402100000000, 0.0007808500000000, 0.0020611100000000 ] - [ 0.0008846000000000, 0.0004188700000000, 0.0020719100000000 ] - [ 0.0009098200000000, 0.0004502300000000, 0.0020554200000000 ] - [ 0.0008947400000000, 0.0005547400000000, 0.0021071300000000 ] - [ 0.0008568200000000, 0.0006534300000000, 0.0020937100000000 ] - [ 0.0008570000000000, 0.0005833700000000, 0.0020501800000000 ] - [ 0.0008619700000000, 0.0005855100000000, 0.0020714700000000 ] - [ -0.0000261900000000, -0.0001500400000000, -0.0010866800000000 ] - [ 0.0000261900000000, -0.0001500400000000, -0.0010866800000000 ] - [ 0.0000115700000000, -0.0003527300000000, -0.0009982900000000 ] - [ -0.0000115700000000, -0.0003527300000000, -0.0009982900000000 ] - [ 0.0001828000000000, -0.0003540300000000, -0.0009063600000000 ] - [ -0.0001828000000000, -0.0003540300000000, -0.0009063600000000 ] - [ -0.0000290800000000, -0.0002775700000000, -0.0011219500000000 ] - [ 0.0000290800000000, -0.0002775700000000, -0.0011219500000000 ] - [ -0.0008402100000000, 0.0007808500000000, 0.0020611100000000 ] - [ -0.0072313500000000, 0.0036164500000000, -0.0012199800000000 ] - [ -0.0009098200000000, 0.0004502300000000, 0.0020554200000000 ] - [ -0.0008846000000000, 0.0004188700000000, 0.0020719100000000 ] - [ -0.0008568200000000, 0.0006534300000000, 0.0020937100000000 ] - [ -0.0008947400000000, 0.0005547400000000, 0.0021071300000000 ] - [ -0.0008619700000000, 0.0005855100000000, 0.0020714700000000 ] - [ -0.0008570000000000, 0.0005833700000000, 0.0020501800000000 ] - [ 0.0009243800000000, -0.0006853500000000, 0.0020393200000000 ] - [ 0.0008733700000000, -0.0007151200000000, 0.0020166000000000 ] - [ 0.0007851300000000, -0.0005417700000000, 0.0021213400000000 ] - [ 0.0007847200000000, -0.0005712400000000, 0.0021673700000000 ] - [ 0.0008767900000000, -0.0006440400000000, 0.0021574700000000 ] - [ 0.0010592700000000, -0.0007599500000000, 0.0022298100000000 ] - [ 0.0008447400000000, -0.0005786300000000, 0.0019819500000000 ] - [ 0.0010669800000000, -0.0006674200000000, 0.0018035900000000 ] - [ 0.0000000000000000, -0.0079782600000000, -0.0049133800000000 ] - [ 0.0000000000000000, -0.0088577300000000, -0.0049385900000000 ] - [ 0.0000000000000000, -0.0091506700000000, -0.0049468600000000 ] - [ 0.0000000000000000, -0.0090495600000000, -0.0049314900000000 ] - [ 0.0000000000000000, 0.0093175700000000, -0.0061699000000000 ] - [ 0.0000000000000000, -0.0089362300000000, -0.0049575000000000 ] - [ 0.0000000000000000, -0.0091072900000000, -0.0049072100000000 ] - [ 0.0000000000000000, -0.0090117100000000, -0.0049935600000000 ] - [ 0.0005247700000000, 0.0096186600000000, -0.0050695100000000 ] - [ -0.0005247700000000, 0.0096186600000000, -0.0050695100000000 ] - [ -0.0006238400000000, 0.0085808300000000, -0.0045614500000000 ] - [ 0.0006238400000000, 0.0085808300000000, -0.0045614500000000 ] - [ 0.0000398200000000, 0.0090344600000000, -0.0048657600000000 ] - [ -0.0000398200000000, 0.0090344600000000, -0.0048657600000000 ] - [ -0.0000083600000000, 0.0089624700000000, -0.0049833700000000 ] - [ 0.0000083600000000, 0.0089624700000000, -0.0049833700000000 ] - [ 0.0000000000000000, 0.0061136100000000, 0.0005179000000000 ] - [ 0.0000000000000000, 0.0065191500000000, -0.0002536100000000 ] - [ 0.0000000000000000, 0.0068271100000000, -0.0004198500000000 ] - [ 0.0000000000000000, 0.0067243700000000, -0.0003724300000000 ] - [ 0.0000000000000000, 0.0025106600000000, -0.0065241000000000 ] - [ 0.0000000000000000, 0.0066019900000000, -0.0003248500000000 ] - [ 0.0000000000000000, 0.0068068900000000, -0.0002851900000000 ] - [ 0.0000000000000000, 0.0066864100000000, -0.0003149400000000 ] - [ 0.0000000000000000, -0.0326377600000000, 0.0004724600000000 ] - [ 0.0000000000000000, 0.0019071600000000, -0.0001585600000000 ] - [ 0.0000000000000000, 0.0020770800000000, -0.0001990500000000 ] - [ 0.0000000000000000, 0.0020727700000000, -0.0001212800000000 ] - [ 0.0000000000000000, 0.0019546600000000, -0.0002079800000000 ] - [ 0.0000000000000000, 0.0020051400000000, -0.0001749500000000 ] - [ 0.0000000000000000, 0.0020290200000000, -0.0001902300000000 ] - [ 0.0000000000000000, 0.0020276100000000, -0.0002115800000000 ] - [ 0.0035784200000000, 0.0020205000000000, 0.0007821300000000 ] - [ 0.0037199700000000, 0.0021799700000000, 0.0011551400000000 ] - [ 0.0038320400000000, 0.0023575300000000, 0.0012041100000000 ] - [ 0.0037959700000000, 0.0023267600000000, 0.0011842200000000 ] - [ 0.0021240500000000, 0.0009909700000000, 0.0043902200000000 ] - [ 0.0037771300000000, 0.0022033700000000, 0.0011713100000000 ] - [ 0.0038042500000000, 0.0022877200000000, 0.0011895300000000 ] - [ 0.0037839100000000, 0.0023054800000000, 0.0011770000000000 ] - [ -0.0048128600000000, -0.0020113700000000, 0.0013184800000000 ] - [ -0.0034950100000000, -0.0021090400000000, 0.0010441500000000 ] - [ -0.0025912800000000, -0.0013750900000000, 0.0010806700000000 ] - [ -0.0040377400000000, -0.0024285000000000, 0.0013033300000000 ] - [ -0.0037978600000000, -0.0022240500000000, 0.0011951000000000 ] - [ -0.0037277700000000, -0.0022184100000000, 0.0011672600000000 ] - [ -0.0037949500000000, -0.0022971200000000, 0.0011154000000000 ] - [ -0.0037883200000000, -0.0022837500000000, 0.0011528800000000 ] - [ 0.0000022700000000, -0.0019815100000000, 0.0000564800000000 ] - [ -0.0000022700000000, -0.0019815100000000, 0.0000564800000000 ] - [ -0.0000616800000000, -0.0020465200000000, -0.0006171600000000 ] - [ 0.0000616800000000, -0.0020465200000000, -0.0006171600000000 ] - [ -0.0000025700000000, -0.0019817400000000, -0.0002772000000000 ] - [ 0.0000025700000000, -0.0019817400000000, -0.0002772000000000 ] - [ 0.0000252500000000, -0.0020437900000000, -0.0001204200000000 ] - [ -0.0000252500000000, -0.0020437900000000, -0.0001204200000000 ] - [ 0.0000683100000000, -0.0068161800000000, -0.0003566700000000 ] - [ -0.0000683100000000, -0.0068161800000000, -0.0003566700000000 ] - [ -0.0000023400000000, -0.0062187400000000, -0.0002032100000000 ] - [ 0.0000023400000000, -0.0062187400000000, -0.0002032100000000 ] - [ 0.0000226500000000, -0.0067326200000000, -0.0003235200000000 ] - [ -0.0000226500000000, -0.0067326200000000, -0.0003235200000000 ] - [ 0.0000011600000000, -0.0066090700000000, -0.0003354600000000 ] - [ -0.0000011600000000, -0.0066090700000000, -0.0003354600000000 ] - [ 0.0034950100000000, -0.0021090400000000, 0.0010441500000000 ] - [ 0.0048128600000000, -0.0020113700000000, 0.0013184800000000 ] - [ 0.0040377400000000, -0.0024285000000000, 0.0013033300000000 ] - [ 0.0025912800000000, -0.0013750900000000, 0.0010806700000000 ] - [ 0.0037277700000000, -0.0022184100000000, 0.0011672600000000 ] - [ 0.0037978600000000, -0.0022240500000000, 0.0011951000000000 ] - [ 0.0037883200000000, -0.0022837500000000, 0.0011528800000000 ] - [ 0.0037949500000000, -0.0022971200000000, 0.0011154000000000 ] - [ -0.0037199700000000, 0.0021799700000000, 0.0011551400000000 ] - [ -0.0035784200000000, 0.0020205000000000, 0.0007821300000000 ] - [ -0.0037959700000000, 0.0023267600000000, 0.0011842200000000 ] - [ -0.0038320400000000, 0.0023575300000000, 0.0012041100000000 ] - [ -0.0037771300000000, 0.0022033700000000, 0.0011713100000000 ] - [ -0.0021240500000000, 0.0009909700000000, 0.0043902200000000 ] - [ -0.0037839100000000, 0.0023054800000000, 0.0011770000000000 ] - [ -0.0038042500000000, 0.0022877200000000, 0.0011895300000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0157236500000000, -0.0078457900000000 ] - [ 0.0000000000000000, 0.0001912400000000, -0.0010266500000000 ] - [ 0.0000000000000000, 0.0006656800000000, -0.0011550400000000 ] - [ 0.0000000000000000, 0.0003257900000000, -0.0010720000000000 ] - [ 0.0000000000000000, 0.0003002300000000, -0.0010738800000000 ] - [ 0.0000000000000000, 0.0002479700000000, -0.0010556300000000 ] - [ 0.0000000000000000, 0.0002351100000000, -0.0010321600000000 ] - [ 0.0000000000000000, 0.0002504500000000, -0.0010539500000000 ] - [ -0.0008498200000000, -0.0005284700000000, 0.0021318100000000 ] - [ -0.0007986500000000, -0.0005574100000000, 0.0021094200000000 ] - [ -0.0009415000000000, -0.0006698300000000, 0.0019798800000000 ] - [ -0.0009410300000000, -0.0007005200000000, 0.0020259300000000 ] - [ -0.0006655300000000, -0.0004830400000000, 0.0019145400000000 ] - [ -0.0008458400000000, -0.0005991100000000, 0.0019845200000000 ] - [ -0.0006563300000000, -0.0005705900000000, 0.0023397800000000 ] - [ -0.0008775600000000, -0.0006620000000000, 0.0021624500000000 ] - [ -0.0054415900000000, -0.0024176100000000, 0.0053271100000000 ] - [ 0.0008860700000000, 0.0004615500000000, 0.0020815200000000 ] - [ 0.0008381900000000, 0.0008254300000000, 0.0020692300000000 ] - [ 0.0008124300000000, 0.0007938600000000, 0.0020872800000000 ] - [ 0.0008298400000000, 0.0006892700000000, 0.0020433500000000 ] - [ 0.0008641500000000, 0.0005894100000000, 0.0020543400000000 ] - [ 0.0008623400000000, 0.0006583200000000, 0.0020974300000000 ] - [ 0.0008570800000000, 0.0006549600000000, 0.0020756800000000 ] - [ 0.0000267200000000, -0.0003497100000000, -0.0010074500000000 ] - [ -0.0000267200000000, -0.0003497100000000, -0.0010074500000000 ] - [ -0.0000121600000000, -0.0001454300000000, -0.0010965600000000 ] - [ 0.0000121600000000, -0.0001454300000000, -0.0010965600000000 ] - [ -0.0001821700000000, -0.0001507500000000, -0.0011946700000000 ] - [ 0.0001821700000000, -0.0001507500000000, -0.0011946700000000 ] - [ 0.0000290700000000, -0.0002250500000000, -0.0009745500000000 ] - [ -0.0000290700000000, -0.0002250500000000, -0.0009745500000000 ] - [ -0.0008860700000000, 0.0004615500000000, 0.0020815200000000 ] - [ 0.0054415900000000, -0.0024176100000000, 0.0053271100000000 ] - [ -0.0008124300000000, 0.0007938600000000, 0.0020872800000000 ] - [ -0.0008381900000000, 0.0008254300000000, 0.0020692300000000 ] - [ -0.0008641500000000, 0.0005894100000000, 0.0020543400000000 ] - [ -0.0008298400000000, 0.0006892700000000, 0.0020433500000000 ] - [ -0.0008570800000000, 0.0006549600000000, 0.0020756800000000 ] - [ -0.0008623400000000, 0.0006583200000000, 0.0020974300000000 ] - [ 0.0007986500000000, -0.0005574100000000, 0.0021094200000000 ] - [ 0.0008498200000000, -0.0005284700000000, 0.0021318100000000 ] - [ 0.0009410300000000, -0.0007005200000000, 0.0020259300000000 ] - [ 0.0009415000000000, -0.0006698300000000, 0.0019798800000000 ] - [ 0.0008458400000000, -0.0005991100000000, 0.0019845200000000 ] - [ 0.0006655300000000, -0.0004830400000000, 0.0019145400000000 ] - [ 0.0008775600000000, -0.0006620000000000, 0.0021624500000000 ] - [ 0.0006563300000000, -0.0005705900000000, 0.0023397800000000 ] - [ 0.0000000000000000, -0.0099524600000000, -0.0049705000000000 ] - [ 0.0000000000000000, -0.0090634000000000, -0.0049589000000000 ] - [ 0.0000000000000000, -0.0087726800000000, -0.0049459000000000 ] - [ 0.0000000000000000, -0.0088766600000000, -0.0049620500000000 ] - [ 0.0000000000000000, -0.0272051200000000, -0.0044138600000000 ] - [ 0.0000000000000000, -0.0089884900000000, -0.0049397100000000 ] - [ 0.0000000000000000, -0.0088184400000000, -0.0049931000000000 ] - [ 0.0000000000000000, -0.0089141400000000, -0.0048963500000000 ] - [ -0.0005196000000000, 0.0083023500000000, -0.0048240600000000 ] - [ 0.0005196000000000, 0.0083023500000000, -0.0048240600000000 ] - [ 0.0006260100000000, 0.0093455600000000, -0.0053332100000000 ] - [ -0.0006260100000000, 0.0093455600000000, -0.0053332100000000 ] - [ -0.0000441900000000, 0.0088931800000000, -0.0050286900000000 ] - [ 0.0000441900000000, 0.0088931800000000, -0.0050286900000000 ] - [ 0.0000085600000000, 0.0089613100000000, -0.0049122900000000 ] - [ -0.0000085600000000, 0.0089613100000000, -0.0049122900000000 ] - [ 0.0000000000000000, 0.0071211300000000, -0.0011501600000000 ] - [ 0.0000000000000000, 0.0067266400000000, -0.0003789500000000 ] - [ 0.0000000000000000, 0.0063941400000000, -0.0002029800000000 ] - [ 0.0000000000000000, 0.0065005900000000, -0.0002527600000000 ] - [ 0.0000000000000000, 0.0106963700000000, 0.0059630900000000 ] - [ 0.0000000000000000, 0.0066446200000000, -0.0003012900000000 ] - [ 0.0000000000000000, 0.0064505400000000, -0.0003500500000000 ] - [ 0.0000000000000000, 0.0065573300000000, -0.0003140600000000 ] - [ 0.0000000000000000, 0.0374034100000000, 0.0001919600000000 ] - [ 0.0000000000000000, 0.0021244900000000, -0.0001889600000000 ] - [ 0.0000000000000000, 0.0019487800000000, -0.0001312300000000 ] - [ 0.0000000000000000, 0.0019547600000000, -0.0002290300000000 ] - [ 0.0000000000000000, 0.0020785500000000, -0.0001563100000000 ] - [ 0.0000000000000000, 0.0020276000000000, -0.0001758300000000 ] - [ 0.0000000000000000, 0.0020027800000000, -0.0001864800000000 ] - [ 0.0000000000000000, 0.0020051800000000, -0.0001635900000000 ] - [ 0.0039639000000000, 0.0024952300000000, 0.0015545700000000 ] - [ 0.0038115800000000, 0.0023291500000000, 0.0011826700000000 ] - [ 0.0037179100000000, 0.0021583600000000, 0.0011412000000000 ] - [ 0.0037507100000000, 0.0021885700000000, 0.0011592300000000 ] - [ 0.0054221700000000, 0.0035095900000000, -0.0020319900000000 ] - [ 0.0037536600000000, 0.0023040300000000, 0.0011729400000000 ] - [ 0.0037188700000000, 0.0022107100000000, 0.0011500100000000 ] - [ 0.0037524900000000, 0.0021998600000000, 0.0011656500000000 ] - [ -0.0027524000000000, -0.0025199200000000, 0.0010364200000000 ] - [ -0.0040779300000000, -0.0024192500000000, 0.0013138400000000 ] - [ -0.0049353400000000, -0.0031179600000000, 0.0012647500000000 ] - [ -0.0034959800000000, -0.0020749000000000, 0.0010405500000000 ] - [ -0.0037381900000000, -0.0022877500000000, 0.0011438400000000 ] - [ -0.0038112100000000, -0.0022921800000000, 0.0011727400000000 ] - [ -0.0037308400000000, -0.0022076900000000, 0.0012222900000000 ] - [ -0.0037376000000000, -0.0022219600000000, 0.0011856900000000 ] - [ -0.0000012400000000, -0.0020489900000000, -0.0004562400000000 ] - [ 0.0000012400000000, -0.0020489900000000, -0.0004562400000000 ] - [ 0.0000597100000000, -0.0019857100000000, 0.0002655400000000 ] - [ -0.0000597100000000, -0.0019857100000000, 0.0002655400000000 ] - [ 0.0000015300000000, -0.0020501600000000, -0.0000804400000000 ] - [ -0.0000015300000000, -0.0020501600000000, -0.0000804400000000 ] - [ -0.0000241600000000, -0.0019829000000000, -0.0002217400000000 ] - [ 0.0000241600000000, -0.0019829000000000, -0.0002217400000000 ] - [ -0.0000707200000000, -0.0063880900000000, -0.0002563900000000 ] - [ 0.0000707200000000, -0.0063880900000000, -0.0002563900000000 ] - [ 0.0000017500000000, -0.0070288000000000, -0.0004212400000000 ] - [ -0.0000017500000000, -0.0070288000000000, -0.0004212400000000 ] - [ -0.0000211500000000, -0.0065080200000000, -0.0003058600000000 ] - [ 0.0000211500000000, -0.0065080200000000, -0.0003058600000000 ] - [ -0.0000015500000000, -0.0066461100000000, -0.0002998000000000 ] - [ 0.0000015500000000, -0.0066461100000000, -0.0002998000000000 ] - [ 0.0040779300000000, -0.0024192500000000, 0.0013138400000000 ] - [ 0.0027524000000000, -0.0025199200000000, 0.0010364200000000 ] - [ 0.0034959800000000, -0.0020749000000000, 0.0010405500000000 ] - [ 0.0049353400000000, -0.0031179600000000, 0.0012647500000000 ] - [ 0.0038112100000000, -0.0022921800000000, 0.0011727400000000 ] - [ 0.0037381900000000, -0.0022877500000000, 0.0011438400000000 ] - [ 0.0037376000000000, -0.0022219600000000, 0.0011856900000000 ] - [ 0.0037308400000000, -0.0022076900000000, 0.0012222900000000 ] - [ -0.0038115800000000, 0.0023291500000000, 0.0011826700000000 ] - [ -0.0039639000000000, 0.0024952300000000, 0.0015545700000000 ] - [ -0.0037507100000000, 0.0021885700000000, 0.0011592300000000 ] - [ -0.0037179100000000, 0.0021583600000000, 0.0011412000000000 ] - [ -0.0037536600000000, 0.0023040300000000, 0.0011729400000000 ] - [ -0.0054221700000000, 0.0035095900000000, -0.0020319900000000 ] - [ -0.0037524900000000, 0.0021998600000000, 0.0011656500000000 ] - [ -0.0037188700000000, 0.0022107100000000, 0.0011500100000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0012509400000000, -0.0000437600000000 ] - [ 0.0000000000000000, 0.0005219500000000, -0.0011060300000000 ] - [ 0.0000000000000000, 0.0010350600000000, -0.0009589500000000 ] - [ 0.0000000000000000, 0.0003629800000000, -0.0010841800000000 ] - [ 0.0000000000000000, 0.0002541100000000, -0.0039252600000000 ] - [ 0.0000000000000000, 0.0000722900000000, -0.0010621600000000 ] - [ 0.0000000000000000, -0.0000613700000000, -0.0012986600000000 ] - [ 0.0000000000000000, 0.0001305000000000, -0.0010250500000000 ] - [ -0.0005270500000000, -0.0010189100000000, 0.0015803500000000 ] - [ -0.0009960100000000, -0.0007171000000000, 0.0017140200000000 ] - [ -0.0008189700000000, -0.0001338400000000, 0.0016298100000000 ] - [ -0.0009512700000000, -0.0006430100000000, 0.0018433300000000 ] - [ -0.0029428500000000, 0.0003469900000000, 0.0031703600000000 ] - [ -0.0007531000000000, -0.0005092000000000, 0.0025361900000000 ] - [ -0.0007157900000000, -0.0027736000000000, 0.0030352900000000 ] - [ -0.0006883800000000, -0.0006799200000000, 0.0023410300000000 ] - [ -0.0006241300000000, -0.0000214000000000, 0.0032570000000000 ] - [ 0.0005446100000000, 0.0006814800000000, 0.0020534500000000 ] - [ 0.0005740300000000, 0.0003370100000000, 0.0020831400000000 ] - [ 0.0006970000000000, 0.0004324600000000, 0.0019989000000000 ] - [ 0.0007895300000000, 0.0007153500000000, -0.0008453500000000 ] - [ 0.0011013100000000, 0.0006633800000000, 0.0019804400000000 ] - [ 0.0009667500000000, 0.0007517100000000, 0.0019115300000000 ] - [ 0.0010087300000000, 0.0007143700000000, 0.0021090100000000 ] - [ 0.0004850000000000, -0.0003489000000000, -0.0015383200000000 ] - [ -0.0004850000000000, -0.0003489000000000, -0.0015383200000000 ] - [ 0.0000075500000000, -0.0001642900000000, -0.0013216100000000 ] - [ -0.0000075500000000, -0.0001642900000000, -0.0013216100000000 ] - [ -0.0017900100000000, 0.0010758700000000, -0.0000811300000000 ] - [ 0.0017900100000000, 0.0010758700000000, -0.0000811300000000 ] - [ -0.0001486600000000, -0.0003342500000000, -0.0006953400000000 ] - [ 0.0001486600000000, -0.0003342500000000, -0.0006953400000000 ] - [ -0.0005446100000000, 0.0006814800000000, 0.0020534500000000 ] - [ 0.0006241300000000, -0.0000214000000000, 0.0032570000000000 ] - [ -0.0006970000000000, 0.0004324600000000, 0.0019989000000000 ] - [ -0.0005740300000000, 0.0003370100000000, 0.0020831400000000 ] - [ -0.0011013100000000, 0.0006633800000000, 0.0019804400000000 ] - [ -0.0007895300000000, 0.0007153500000000, -0.0008453500000000 ] - [ -0.0010087300000000, 0.0007143700000000, 0.0021090100000000 ] - [ -0.0009667500000000, 0.0007517100000000, 0.0019115300000000 ] - [ 0.0009960100000000, -0.0007171000000000, 0.0017140200000000 ] - [ 0.0005270500000000, -0.0010189100000000, 0.0015803500000000 ] - [ 0.0009512700000000, -0.0006430100000000, 0.0018433300000000 ] - [ 0.0008189700000000, -0.0001338400000000, 0.0016298100000000 ] - [ 0.0007531000000000, -0.0005092000000000, 0.0025361900000000 ] - [ 0.0029428500000000, 0.0003469900000000, 0.0031703600000000 ] - [ 0.0006883800000000, -0.0006799200000000, 0.0023410300000000 ] - [ 0.0007157900000000, -0.0027736000000000, 0.0030352900000000 ] - [ 0.0000000000000000, -0.0087836900000000, -0.0092263600000000 ] - [ 0.0000000000000000, -0.0090167500000000, -0.0053523100000000 ] - [ 0.0000000000000000, -0.0088184900000000, -0.0054686600000000 ] - [ 0.0000000000000000, -0.0089724300000000, -0.0052372300000000 ] - [ 0.0000000000000000, -0.0095412100000000, 0.1416852000000000 ] - [ 0.0000000000000000, -0.0084026900000000, -0.0040963200000000 ] - [ 0.0000000000000000, -0.0092377400000000, -0.0040719400000000 ] - [ 0.0000000000000000, -0.0089643000000000, -0.0046130600000000 ] - [ 0.0006004200000000, 0.0082827300000000, -0.0054559400000000 ] - [ -0.0006004200000000, 0.0082827300000000, -0.0054559400000000 ] - [ 0.0008876000000000, 0.0093853800000000, -0.0054757300000000 ] - [ -0.0008876000000000, 0.0093853800000000, -0.0054757300000000 ] - [ -0.0003360800000000, 0.0090862900000000, -0.0053850700000000 ] - [ 0.0003360800000000, 0.0090862900000000, -0.0053850700000000 ] - [ -0.0002588000000000, 0.0087246600000000, -0.0054047100000000 ] - [ 0.0002588000000000, 0.0087246600000000, -0.0054047100000000 ] - [ 0.0000000000000000, 0.0067985100000000, 0.0024129600000000 ] - [ 0.0000000000000000, 0.0064967400000000, -0.0001633700000000 ] - [ 0.0000000000000000, 0.0061414800000000, -0.0001313900000000 ] - [ 0.0000000000000000, 0.0065222800000000, -0.0002089600000000 ] - [ 0.0000000000000000, -0.0062468900000000, 0.0041204300000000 ] - [ 0.0000000000000000, 0.0064406400000000, -0.0003608500000000 ] - [ 0.0000000000000000, 0.0075136000000000, -0.0005085400000000 ] - [ 0.0000000000000000, 0.0067679700000000, -0.0004199500000000 ] - [ 0.0000000000000000, 0.0021717300000000, -0.1670671000000000 ] - [ 0.0000000000000000, 0.0020218900000000, -0.0011368200000000 ] - [ 0.0000000000000000, 0.0019812400000000, -0.0012267600000000 ] - [ 0.0000000000000000, 0.0020588700000000, -0.0006209100000000 ] - [ 0.0000000000000000, 0.0019826100000000, 0.0043115100000000 ] - [ 0.0000000000000000, 0.0020103400000000, 0.0003486500000000 ] - [ 0.0000000000000000, 0.0020116300000000, 0.0005120300000000 ] - [ 0.0000000000000000, 0.0019923900000000, 0.0001919800000000 ] - [ 0.0035390300000000, 0.0021215400000000, 0.0037039300000000 ] - [ 0.0040012900000000, 0.0023025700000000, 0.0013046900000000 ] - [ 0.0038547800000000, 0.0024115100000000, 0.0012871200000000 ] - [ 0.0038959600000000, 0.0023238400000000, 0.0013140400000000 ] - [ 0.0148945200000000, 0.0083966700000000, 0.0060729000000000 ] - [ 0.0030774800000000, 0.0020311500000000, 0.0009586300000000 ] - [ 0.0038585000000000, 0.0018122400000000, 0.0010763800000000 ] - [ 0.0036382600000000, 0.0022204300000000, 0.0010375300000000 ] - [ -0.0048173400000000, -0.0015490700000000, 0.0006949400000000 ] - [ -0.0030226100000000, -0.0018407300000000, 0.0007554600000000 ] - [ -0.0052112900000000, -0.0037406200000000, 0.0008976800000000 ] - [ -0.0033839600000000, -0.0021010500000000, 0.0008868400000000 ] - [ -0.0035544600000000, -0.0023268400000000, 0.0016441000000000 ] - [ -0.0042567600000000, -0.0025162600000000, 0.0014622700000000 ] - [ -0.0035696100000000, -0.0018853200000000, 0.0017164800000000 ] - [ -0.0040516100000000, -0.0023414700000000, 0.0013651200000000 ] - [ -0.0001701900000000, -0.0019069400000000, 0.0003365200000000 ] - [ 0.0001701900000000, -0.0019069400000000, 0.0003365200000000 ] - [ 0.0000509300000000, -0.0020651400000000, 0.0003213600000000 ] - [ -0.0000509300000000, -0.0020651400000000, 0.0003213600000000 ] - [ 0.0004441100000000, -0.0022708100000000, 0.0003470300000000 ] - [ -0.0004441100000000, -0.0022708100000000, 0.0003470300000000 ] - [ 0.0002280000000000, -0.0015689300000000, 0.0003098400000000 ] - [ -0.0002280000000000, -0.0015689300000000, 0.0003098400000000 ] - [ -0.0013040300000000, -0.0056305900000000, -0.0006953400000000 ] - [ 0.0013040300000000, -0.0056305900000000, -0.0006953400000000 ] - [ -0.0000236900000000, -0.0069899000000000, -0.0005296500000000 ] - [ 0.0000236900000000, -0.0069899000000000, -0.0005296500000000 ] - [ 0.0001723200000000, -0.0067159000000000, 0.0001775700000000 ] - [ -0.0001723200000000, -0.0067159000000000, 0.0001775700000000 ] - [ 0.0000280300000000, -0.0062707500000000, -0.0000702000000000 ] - [ -0.0000280300000000, -0.0062707500000000, -0.0000702000000000 ] - [ 0.0030226100000000, -0.0018407300000000, 0.0007554600000000 ] - [ 0.0048173400000000, -0.0015490700000000, 0.0006949400000000 ] - [ 0.0033839600000000, -0.0021010500000000, 0.0008868400000000 ] - [ 0.0052112900000000, -0.0037406200000000, 0.0008976800000000 ] - [ 0.0042567600000000, -0.0025162600000000, 0.0014622700000000 ] - [ 0.0035544600000000, -0.0023268400000000, 0.0016441000000000 ] - [ 0.0040516100000000, -0.0023414700000000, 0.0013651200000000 ] - [ 0.0035696100000000, -0.0018853200000000, 0.0017164800000000 ] - [ -0.0040012900000000, 0.0023025700000000, 0.0013046900000000 ] - [ -0.0035390300000000, 0.0021215400000000, 0.0037039300000000 ] - [ -0.0038959600000000, 0.0023238400000000, 0.0013140400000000 ] - [ -0.0038547800000000, 0.0024115100000000, 0.0012871200000000 ] - [ -0.0030774800000000, 0.0020311500000000, 0.0009586300000000 ] - [ -0.0148945200000000, 0.0083966700000000, 0.0060729000000000 ] - [ -0.0036382600000000, 0.0022204300000000, 0.0010375300000000 ] - [ -0.0038585000000000, 0.0018122400000000, 0.0010763800000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0008983300000000, -0.0020985800000000 ] - [ 0.0000000000000000, -0.0000186800000000, -0.0009921500000000 ] - [ 0.0000000000000000, -0.0005290300000000, -0.0011413200000000 ] - [ 0.0000000000000000, 0.0001416200000000, -0.0010145300000000 ] - [ 0.0000000000000000, 0.0002482700000000, 0.0018136000000000 ] - [ 0.0000000000000000, 0.0004285800000000, -0.0010318500000000 ] - [ 0.0000000000000000, 0.0005593200000000, -0.0007939400000000 ] - [ 0.0000000000000000, 0.0003687500000000, -0.0010687400000000 ] - [ -0.0011959700000000, -0.0002238500000000, 0.0025637500000000 ] - [ -0.0007282000000000, -0.0005254500000000, 0.0024316500000000 ] - [ -0.0009063700000000, -0.0011066600000000, 0.0025140400000000 ] - [ -0.0007741800000000, -0.0005994300000000, 0.0023013200000000 ] - [ 0.0012031400000000, -0.0015837300000000, 0.0009890100000000 ] - [ -0.0009683400000000, -0.0007312700000000, 0.0016154900000000 ] - [ -0.0009963300000000, 0.0015186700000000, 0.0011246100000000 ] - [ -0.0010305600000000, -0.0005597500000000, 0.0018115100000000 ] - [ 0.0024961600000000, 0.0013360300000000, 0.0008371000000000 ] - [ 0.0011748600000000, 0.0005609900000000, 0.0020916500000000 ] - [ 0.0011449400000000, 0.0009028000000000, 0.0020608200000000 ] - [ 0.0010206400000000, 0.0008072900000000, 0.0021459000000000 ] - [ 0.0009295800000000, 0.0005285000000000, 0.0049778500000000 ] - [ 0.0006216200000000, 0.0005805100000000, 0.0021685700000000 ] - [ 0.0007552100000000, 0.0004903800000000, 0.0022384800000000 ] - [ 0.0007133600000000, 0.0005263800000000, 0.0020406100000000 ] - [ -0.0004837900000000, -0.0001501000000000, -0.0005604900000000 ] - [ 0.0004837900000000, -0.0001501000000000, -0.0005604900000000 ] - [ -0.0000077100000000, -0.0003346700000000, -0.0007779500000000 ] - [ 0.0000077100000000, -0.0003346700000000, -0.0007779500000000 ] - [ 0.0017801600000000, -0.0015656900000000, -0.0020042700000000 ] - [ -0.0017801600000000, -0.0015656900000000, -0.0020042700000000 ] - [ 0.0001491500000000, -0.0001718700000000, -0.0013947400000000 ] - [ -0.0001491500000000, -0.0001718700000000, -0.0013947400000000 ] - [ -0.0011748600000000, 0.0005609900000000, 0.0020916500000000 ] - [ -0.0024961600000000, 0.0013360300000000, 0.0008371000000000 ] - [ -0.0010206400000000, 0.0008072900000000, 0.0021459000000000 ] - [ -0.0011449400000000, 0.0009028000000000, 0.0020608200000000 ] - [ -0.0006216200000000, 0.0005805100000000, 0.0021685700000000 ] - [ -0.0009295800000000, 0.0005285000000000, 0.0049778500000000 ] - [ -0.0007133600000000, 0.0005263800000000, 0.0020406100000000 ] - [ -0.0007552100000000, 0.0004903800000000, 0.0022384800000000 ] - [ 0.0007282000000000, -0.0005254500000000, 0.0024316500000000 ] - [ 0.0011959700000000, -0.0002238500000000, 0.0025637500000000 ] - [ 0.0007741800000000, -0.0005994300000000, 0.0023013200000000 ] - [ 0.0009063700000000, -0.0011066600000000, 0.0025140400000000 ] - [ 0.0009683400000000, -0.0007312700000000, 0.0016154900000000 ] - [ -0.0012031400000000, -0.0015837300000000, 0.0009890100000000 ] - [ 0.0010305600000000, -0.0005597500000000, 0.0018115100000000 ] - [ 0.0009963300000000, 0.0015186700000000, 0.0011246100000000 ] - [ 0.0000000000000000, -0.0091464100000000, -0.0006930600000000 ] - [ 0.0000000000000000, -0.0089096500000000, -0.0045519900000000 ] - [ 0.0000000000000000, -0.0091068300000000, -0.0044338000000000 ] - [ 0.0000000000000000, -0.0089540600000000, -0.0046629800000000 ] - [ 0.0000000000000000, -0.0084346500000000, -0.1446062800000000 ] - [ 0.0000000000000000, -0.0095138100000000, -0.0057934300000000 ] - [ 0.0000000000000000, -0.0086898100000000, -0.0058198700000000 ] - [ 0.0000000000000000, -0.0089645500000000, -0.0052817700000000 ] - [ -0.0005959500000000, 0.0096379300000000, -0.0044504500000000 ] - [ 0.0005959500000000, 0.0096379300000000, -0.0044504500000000 ] - [ -0.0008776500000000, 0.0085430900000000, -0.0044289600000000 ] - [ 0.0008776500000000, 0.0085430900000000, -0.0044289600000000 ] - [ 0.0003309200000000, 0.0088398500000000, -0.0045154100000000 ] - [ -0.0003309200000000, 0.0088398500000000, -0.0045154100000000 ] - [ 0.0002549200000000, 0.0091967600000000, -0.0044948100000000 ] - [ -0.0002549200000000, 0.0091967600000000, -0.0044948100000000 ] - [ 0.0000000000000000, 0.0064045300000000, -0.0030399200000000 ] - [ 0.0000000000000000, 0.0067214800000000, -0.0004581100000000 ] - [ 0.0000000000000000, 0.0070661100000000, -0.0004849000000000 ] - [ 0.0000000000000000, 0.0066835500000000, -0.0004080400000000 ] - [ 0.0000000000000000, 0.0192765000000000, -0.0047408000000000 ] - [ 0.0000000000000000, 0.0067669900000000, -0.0002542500000000 ] - [ 0.0000000000000000, 0.0057235400000000, -0.0001209100000000 ] - [ 0.0000000000000000, 0.0064418200000000, -0.0001985900000000 ] - [ 0.0000000000000000, 0.0018939400000000, 0.1598538300000000 ] - [ 0.0000000000000000, 0.0020105600000000, 0.0007372000000000 ] - [ 0.0000000000000000, 0.0020475000000000, 0.0008559600000000 ] - [ 0.0000000000000000, 0.0019719600000000, 0.0002265200000000 ] - [ 0.0000000000000000, 0.0020511400000000, -0.0046779900000000 ] - [ 0.0000000000000000, 0.0020224600000000, -0.0007208200000000 ] - [ 0.0000000000000000, 0.0020206200000000, -0.0008958700000000 ] - [ 0.0000000000000000, 0.0020408800000000, -0.0005824200000000 ] - [ 0.0040293700000000, 0.0024089100000000, -0.0013593400000000 ] - [ 0.0035502100000000, 0.0022177000000000, 0.0010438100000000 ] - [ 0.0037062000000000, 0.0021118400000000, 0.0010660500000000 ] - [ 0.0036657100000000, 0.0022012500000000, 0.0010381500000000 ] - [ -0.0071776700000000, -0.0037805800000000, -0.0037172600000000 ] - [ 0.0044745500000000, 0.0024907000000000, 0.0013943800000000 ] - [ 0.0036853400000000, 0.0026970000000000, 0.0012700300000000 ] - [ 0.0039246600000000, 0.0023018700000000, 0.0013141200000000 ] - [ -0.0027781700000000, -0.0029775100000000, 0.0016662200000000 ] - [ -0.0045481700000000, -0.0026875100000000, 0.0015992600000000 ] - [ -0.0023613100000000, -0.0007969500000000, 0.0014539700000000 ] - [ -0.0041623000000000, -0.0024125200000000, 0.0014597600000000 ] - [ -0.0040031300000000, -0.0021999900000000, 0.0007082200000000 ] - [ -0.0033108200000000, -0.0020110700000000, 0.0008919700000000 ] - [ -0.0039823100000000, -0.0026329300000000, 0.0006359400000000 ] - [ -0.0035066700000000, -0.0021821900000000, 0.0009888100000000 ] - [ 0.0001720000000000, -0.0021252800000000, -0.0007401400000000 ] - [ -0.0001720000000000, -0.0021252800000000, -0.0007401400000000 ] - [ -0.0000507200000000, -0.0019690500000000, -0.0006892600000000 ] - [ 0.0000507200000000, -0.0019690500000000, -0.0006892600000000 ] - [ -0.0004423000000000, -0.0017645200000000, -0.0007379900000000 ] - [ 0.0004423000000000, -0.0017645200000000, -0.0007379900000000 ] - [ -0.0002261200000000, -0.0024565500000000, -0.0006898900000000 ] - [ 0.0002261200000000, -0.0024565500000000, -0.0006898900000000 ] - [ 0.0012838400000000, -0.0075399100000000, 0.0000905600000000 ] - [ -0.0012838400000000, -0.0075399100000000, 0.0000905600000000 ] - [ 0.0000240000000000, -0.0062359900000000, -0.0000917400000000 ] - [ -0.0000240000000000, -0.0062359900000000, -0.0000917400000000 ] - [ -0.0001691700000000, -0.0064947400000000, -0.0007931400000000 ] - [ 0.0001691700000000, -0.0064947400000000, -0.0007931400000000 ] - [ -0.0000276600000000, -0.0069408500000000, -0.0005478600000000 ] - [ 0.0000276600000000, -0.0069408500000000, -0.0005478600000000 ] - [ 0.0045481700000000, -0.0026875100000000, 0.0015992600000000 ] - [ 0.0027781700000000, -0.0029775100000000, 0.0016662200000000 ] - [ 0.0041623000000000, -0.0024125200000000, 0.0014597600000000 ] - [ 0.0023613100000000, -0.0007969500000000, 0.0014539700000000 ] - [ 0.0033108200000000, -0.0020110700000000, 0.0008919700000000 ] - [ 0.0040031300000000, -0.0021999900000000, 0.0007082200000000 ] - [ 0.0035066700000000, -0.0021821900000000, 0.0009888100000000 ] - [ 0.0039823100000000, -0.0026329300000000, 0.0006359400000000 ] - [ -0.0035502100000000, 0.0022177000000000, 0.0010438100000000 ] - [ -0.0040293700000000, 0.0024089100000000, -0.0013593400000000 ] - [ -0.0036657100000000, 0.0022012500000000, 0.0010381500000000 ] - [ -0.0037062000000000, 0.0021118400000000, 0.0010660500000000 ] - [ -0.0044745500000000, 0.0024907000000000, 0.0013943800000000 ] - [ 0.0071776700000000, -0.0037805800000000, -0.0037172600000000 ] - [ -0.0039246600000000, 0.0023018700000000, 0.0013141200000000 ] - [ -0.0036853400000000, 0.0026970000000000, 0.0012700300000000 ]- atom: 81 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003189600000000, 0.0001715600000000, 0.0008486400000000 ] - [ -0.0005171000000000, 0.0002704200000000, -0.0011635000000000 ] - [ 0.0006329600000000, 0.0001209400000000, -0.0009686900000000 ] - [ -0.0004527400000000, 0.0001751900000000, -0.0010485300000000 ] - [ 0.0005696500000000, -0.0014695400000000, -0.0020509400000000 ] - [ -0.0003395200000000, 0.0004521100000000, -0.0010135300000000 ] - [ 0.0004058100000000, 0.0003366800000000, -0.0010869900000000 ] - [ -0.0003503600000000, 0.0002505000000000, -0.0010437500000000 ] - [ 0.0010936200000000, -0.0012689100000000, 0.0013420500000000 ] - [ -0.0013097100000000, -0.0006488600000000, 0.0021918200000000 ] - [ -0.0000726400000000, -0.0041984700000000, 0.0033305900000000 ] - [ -0.0011882800000000, -0.0007208600000000, 0.0021796800000000 ] - [ -0.0005285900000000, -0.0006894200000000, 0.0018733100000000 ] - [ -0.0011628300000000, -0.0007217600000000, 0.0021787500000000 ] - [ -0.0005582400000000, -0.0003096100000000, 0.0016916800000000 ] - [ -0.0010647800000000, -0.0006669100000000, 0.0021333300000000 ] - [ 0.0016707200000000, 0.0010915500000000, -0.0013952800000000 ] - [ 0.0004702500000000, 0.0006484700000000, 0.0019275300000000 ] - [ 0.0012865600000000, 0.0005650300000000, 0.0022862200000000 ] - [ 0.0006405800000000, 0.0004760900000000, 0.0019828000000000 ] - [ 0.0033729100000000, 0.0017516000000000, 0.0025081200000000 ] - [ 0.0004194300000000, 0.0006342400000000, 0.0020135300000000 ] - [ 0.0010704100000000, 0.0006201200000000, 0.0021019300000000 ] - [ 0.0006440600000000, 0.0004532300000000, 0.0019866300000000 ] - [ 0.0065838300000000, -0.0034516200000000, -0.0030376200000000 ] - [ -0.0022617100000000, -0.0008646400000000, -0.0012658500000000 ] - [ 0.0001533000000000, -0.0006307400000000, -0.0009320900000000 ] - [ -0.0001345300000000, -0.0001325600000000, -0.0010253500000000 ] - [ 0.0002619700000000, -0.0005341000000000, -0.0013935500000000 ] - [ -0.0002109100000000, -0.0000804700000000, -0.0009880400000000 ] - [ 0.0000387600000000, -0.0004304500000000, -0.0013339100000000 ] - [ -0.0000505300000000, -0.0001321500000000, -0.0009745100000000 ] - [ -0.0015224800000000, 0.0007431500000000, 0.0017533500000000 ] - [ -0.0009033000000000, 0.0005153200000000, 0.0038716000000000 ] - [ -0.0011870600000000, 0.0006657800000000, 0.0021443200000000 ] - [ -0.0007354900000000, 0.0004306400000000, 0.0020912900000000 ] - [ -0.0009289700000000, 0.0006713600000000, 0.0023069800000000 ] - [ -0.0021373700000000, 0.0014941800000000, 0.0010807900000000 ] - [ -0.0009723600000000, 0.0006169000000000, 0.0021158100000000 ] - [ -0.0007241300000000, 0.0003940400000000, 0.0019488200000000 ] - [ 0.0006642300000000, -0.0004630900000000, 0.0022190000000000 ] - [ -0.0005852500000000, -0.0020663700000000, 0.0017643600000000 ] - [ 0.0002437300000000, -0.0009212100000000, 0.0021592700000000 ] - [ 0.0008518000000000, 0.0012260400000000, 0.0014455300000000 ] - [ 0.0007230400000000, -0.0005787000000000, 0.0018452800000000 ] - [ 0.0009604100000000, -0.0008190000000000, 0.0021304500000000 ] - [ 0.0006785300000000, -0.0005727500000000, 0.0018442300000000 ] - [ 0.0010103700000000, -0.0004807700000000, 0.0021168500000000 ] - [ 0.0975666500000000, 0.0368999800000000, 0.0268840300000000 ] - [ -0.0023938400000000, -0.0080910200000000, -0.0043067000000000 ] - [ 0.0003899400000000, -0.0093955100000000, -0.0050543700000000 ] - [ -0.0006454300000000, -0.0090798700000000, -0.0048594300000000 ] - [ 0.0003275900000000, -0.0089590800000000, -0.0052920900000000 ] - [ -0.0005930600000000, -0.0089461600000000, -0.0051062600000000 ] - [ 0.0005079900000000, -0.0090020100000000, -0.0050298100000000 ] - [ -0.0004898700000000, -0.0090352700000000, -0.0050440800000000 ] - [ 0.0006616500000000, 0.0104911800000000, -0.0054953400000000 ] - [ -0.0004917300000000, 0.0086786600000000, -0.0042615600000000 ] - [ -0.0004833400000000, 0.0086293300000000, -0.0060749300000000 ] - [ -0.0005733900000000, 0.0090491300000000, -0.0046601400000000 ] - [ 0.0010919100000000, 0.0112267200000000, -0.0048551900000000 ] - [ -0.0007543600000000, 0.0084222600000000, -0.0052637400000000 ] - [ -0.0008802100000000, 0.0086698400000000, -0.0048761500000000 ] - [ -0.0009754700000000, 0.0091348700000000, -0.0051652800000000 ] - [ -0.0019423600000000, 0.0167017000000000, -0.0048846200000000 ] - [ 0.0001950600000000, 0.0060287300000000, -0.0001325900000000 ] - [ -0.0005232500000000, 0.0070902200000000, -0.0005918500000000 ] - [ 0.0001870700000000, 0.0068088300000000, -0.0003700100000000 ] - [ -0.0001500600000000, 0.0068296200000000, 0.0000843000000000 ] - [ 0.0001600400000000, 0.0064795000000000, -0.0002637200000000 ] - [ -0.0001803100000000, 0.0066373300000000, -0.0002982400000000 ] - [ 0.0001460400000000, 0.0066581400000000, -0.0003065200000000 ] - [ -0.0004766400000000, 0.0018346900000000, -0.0004502700000000 ] - [ 0.0001981100000000, 0.0019766000000000, 0.0000378900000000 ] - [ -0.0001647200000000, 0.0020744700000000, -0.0000893400000000 ] - [ 0.0001718900000000, 0.0020386400000000, -0.0000759300000000 ] - [ -0.0030905100000000, 0.0003935700000000, 0.0108097700000000 ] - [ 0.0000750500000000, 0.0020363200000000, -0.0008718900000000 ] - [ -0.0001309100000000, 0.0020586900000000, -0.0000837500000000 ] - [ 0.0001088700000000, 0.0020406300000000, -0.0003271900000000 ] - [ -0.1099012500000000, -0.0430682400000000, -0.0317006400000000 ] - [ 0.0054174900000000, 0.0028587200000000, 0.0015914900000000 ] - [ 0.0033073300000000, 0.0024894200000000, 0.0010815700000000 ] - [ 0.0043957400000000, 0.0025618000000000, 0.0013620000000000 ] - [ 0.0029478800000000, 0.0018634600000000, 0.0015940600000000 ] - [ 0.0043967100000000, 0.0024878800000000, 0.0013464700000000 ] - [ 0.0033228800000000, 0.0021099400000000, 0.0010977400000000 ] - [ 0.0042886700000000, 0.0025397800000000, 0.0013373900000000 ] - [ -0.0056039300000000, -0.0028357900000000, 0.0014221100000000 ] - [ -0.0028635800000000, -0.0018315400000000, 0.0008983600000000 ] - [ -0.0036272100000000, -0.0013023800000000, 0.0018475800000000 ] - [ -0.0032037600000000, -0.0020415700000000, 0.0010218100000000 ] - [ -0.0055836400000000, -0.0026855700000000, 0.0018311500000000 ] - [ -0.0028793000000000, -0.0018445300000000, 0.0008923000000000 ] - [ -0.0036250200000000, -0.0014667800000000, -0.0001985900000000 ] - [ -0.0031995200000000, -0.0020155100000000, 0.0010008700000000 ] - [ 0.0001032000000000, -0.0030461700000000, 0.0008080800000000 ] - [ 0.0005370400000000, -0.0017286000000000, -0.0009399600000000 ] - [ 0.0004176900000000, -0.0008474100000000, 0.0012557500000000 ] - [ 0.0001968100000000, -0.0022895800000000, -0.0005735500000000 ] - [ -0.0001085500000000, -0.0020554300000000, -0.0004081100000000 ] - [ 0.0000653200000000, -0.0019838300000000, 0.0002764300000000 ] - [ 0.0000386700000000, -0.0020501000000000, -0.0003877800000000 ] - [ 0.0000291100000000, -0.0020429100000000, 0.0000857300000000 ] - [ 0.0006420300000000, -0.0087109900000000, 0.0004783500000000 ] - [ 0.0002788700000000, -0.0064889400000000, -0.0004731500000000 ] - [ -0.0000457700000000, -0.0055151200000000, 0.0001053900000000 ] - [ 0.0000324200000000, -0.0069082600000000, -0.0004193400000000 ] - [ 0.0001722000000000, -0.0088376200000000, -0.0023583900000000 ] - [ 0.0005568600000000, -0.0059146700000000, 0.0002094900000000 ] - [ -0.0000439900000000, -0.0062105500000000, -0.0002697500000000 ] - [ 0.0000535600000000, -0.0067889200000000, -0.0003482300000000 ] - [ 0.0045494700000000, -0.0025996900000000, 0.0014919900000000 ] - [ 0.0039625500000000, -0.0021064800000000, 0.0010013900000000 ] - [ 0.0045063000000000, -0.0024493500000000, 0.0015030100000000 ] - [ 0.0040542400000000, -0.0028250600000000, 0.0010320400000000 ] - [ 0.0039695800000000, -0.0023352600000000, 0.0011183400000000 ] - [ 0.0045361600000000, -0.0020605100000000, 0.0016767700000000 ] - [ 0.0040381900000000, -0.0023600600000000, 0.0011051500000000 ] - [ 0.0045169100000000, -0.0030704400000000, 0.0016670500000000 ] - [ -0.0002279200000000, 0.0012300500000000, 0.0004773400000000 ] - [ 0.0062757700000000, -0.0001079000000000, -0.0004215300000000 ] - [ -0.0032622800000000, 0.0019953900000000, 0.0009456400000000 ] - [ -0.0042526400000000, 0.0029819100000000, 0.0013646900000000 ] - [ -0.0033603300000000, 0.0020526000000000, 0.0010492500000000 ] - [ -0.0039061500000000, 0.0022841000000000, 0.0016557600000000 ] - [ -0.0034205700000000, 0.0020978300000000, 0.0011044900000000 ] - [ -0.0042096300000000, 0.0025699900000000, 0.0013445600000000 ]- atom: 81 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003193700000000, 0.0003223400000000, -0.0029571700000000 ] - [ 0.0005165900000000, 0.0002311900000000, -0.0009331300000000 ] - [ -0.0006355700000000, 0.0003842500000000, -0.0011216100000000 ] - [ 0.0004527800000000, 0.0003275200000000, -0.0010476100000000 ] - [ -0.0005698000000000, 0.0019772700000000, -0.0000360400000000 ] - [ 0.0003396100000000, 0.0000489000000000, -0.0010821400000000 ] - [ -0.0004084000000000, 0.0001624300000000, -0.0010103700000000 ] - [ 0.0003518200000000, 0.0002507400000000, -0.0010531900000000 ] - [ -0.0028214700000000, 0.0000347300000000, 0.0028049200000000 ] - [ -0.0004132300000000, -0.0005925000000000, 0.0019507500000000 ] - [ -0.0016083200000000, 0.0029382700000000, 0.0008248100000000 ] - [ -0.0005339200000000, -0.0005216500000000, 0.0019639900000000 ] - [ -0.0011901600000000, -0.0005502400000000, 0.0022707800000000 ] - [ -0.0005583800000000, -0.0005184300000000, 0.0019661900000000 ] - [ -0.0011645300000000, -0.0009309800000000, 0.0024514600000000 ] - [ -0.0006575300000000, -0.0005746100000000, 0.0020108500000000 ] - [ 0.0000876600000000, 0.0001573200000000, 0.0055330800000000 ] - [ 0.0012497000000000, 0.0005919500000000, 0.0022221600000000 ] - [ 0.0004345500000000, 0.0006793700000000, 0.0018662200000000 ] - [ 0.0010795100000000, 0.0007648000000000, 0.0021685100000000 ] - [ -0.0016597600000000, -0.0005172000000000, 0.0016421900000000 ] - [ 0.0013022800000000, 0.0006062100000000, 0.0021378300000000 ] - [ 0.0006514600000000, 0.0006251000000000, 0.0020493700000000 ] - [ 0.0010764800000000, 0.0007886500000000, 0.0021646300000000 ] - [ -0.0061465800000000, 0.0026506500000000, 0.0007744200000000 ] - [ 0.0022759300000000, 0.0003702000000000, -0.0008289200000000 ] - [ -0.0001515800000000, 0.0001303900000000, -0.0011638300000000 ] - [ 0.0001322900000000, -0.0003702200000000, -0.0010707700000000 ] - [ -0.0002602300000000, 0.0000298900000000, -0.0007015400000000 ] - [ 0.0002084900000000, -0.0004243900000000, -0.0011065300000000 ] - [ -0.0000373400000000, -0.0000701800000000, -0.0007617000000000 ] - [ 0.0000487400000000, -0.0003701600000000, -0.0011207500000000 ] - [ -0.0001987400000000, 0.0004982400000000, 0.0023882300000000 ] - [ -0.0008261500000000, 0.0007286000000000, 0.0002587700000000 ] - [ -0.0005322200000000, 0.0005779400000000, 0.0019985600000000 ] - [ -0.0009872100000000, 0.0008119300000000, 0.0020529000000000 ] - [ -0.0007923800000000, 0.0005669700000000, 0.0018365100000000 ] - [ 0.0004212600000000, -0.0002544800000000, 0.0030678800000000 ] - [ -0.0007467300000000, 0.0006270500000000, 0.0020263000000000 ] - [ -0.0009996200000000, 0.0008501300000000, 0.0021949500000000 ] - [ 0.0010566400000000, -0.0007756800000000, 0.0019322300000000 ] - [ 0.0023153300000000, 0.0008340000000000, 0.0023864700000000 ] - [ 0.0014789600000000, -0.0003224400000000, 0.0019931700000000 ] - [ 0.0008590600000000, -0.0024774700000000, 0.0027110200000000 ] - [ 0.0009990900000000, -0.0006620600000000, 0.0023061400000000 ] - [ 0.0007580900000000, -0.0004204200000000, 0.0020216700000000 ] - [ 0.0010450600000000, -0.0006687000000000, 0.0023079500000000 ] - [ 0.0007092700000000, -0.0007590400000000, 0.0020348300000000 ] - [ -0.1008655000000000, -0.0572002900000000, -0.0384017000000000 ] - [ 0.0023911300000000, -0.0098296700000000, -0.0055937600000000 ] - [ -0.0003871700000000, -0.0085033100000000, -0.0048575900000000 ] - [ 0.0006453200000000, -0.0088431200000000, -0.0050409700000000 ] - [ -0.0003238300000000, -0.0089594600000000, -0.0045825700000000 ] - [ 0.0005941000000000, -0.0089771400000000, -0.0047937300000000 ] - [ -0.0005084700000000, -0.0089195400000000, -0.0048725100000000 ] - [ 0.0004909300000000, -0.0088878800000000, -0.0048568600000000 ] - [ -0.0006571200000000, 0.0074209700000000, -0.0043992100000000 ] - [ 0.0004911400000000, 0.0092447400000000, -0.0056414800000000 ] - [ 0.0005026600000000, 0.0093049300000000, -0.0038305100000000 ] - [ 0.0005714200000000, 0.0088735400000000, -0.0052412800000000 ] - [ -0.0010922500000000, 0.0066976600000000, -0.0050460400000000 ] - [ 0.0007533900000000, 0.0095028800000000, -0.0046346800000000 ] - [ 0.0008928300000000, 0.0092568400000000, -0.0050221300000000 ] - [ 0.0009759400000000, 0.0087859400000000, -0.0047324100000000 ] - [ 0.0019989200000000, -0.0035611200000000, 0.0043329800000000 ] - [ -0.0001926800000000, 0.0071805000000000, -0.0004884700000000 ] - [ 0.0005298100000000, 0.0060738700000000, -0.0000166000000000 ] - [ -0.0001895600000000, 0.0063874800000000, -0.0002451900000000 ] - [ 0.0001502600000000, 0.0063773600000000, -0.0007061000000000 ] - [ -0.0001593700000000, 0.0067193000000000, -0.0003514100000000 ] - [ 0.0001828300000000, 0.0065802000000000, -0.0003243800000000 ] - [ -0.0001470500000000, 0.0065339000000000, -0.0003082900000000 ] - [ 0.0004833900000000, 0.0022052900000000, 0.0000253600000000 ] - [ -0.0001973900000000, 0.0020566500000000, -0.0004314600000000 ] - [ 0.0001657700000000, 0.0019562800000000, -0.0002834300000000 ] - [ -0.0001726000000000, 0.0019922000000000, -0.0003235000000000 ] - [ 0.0031589200000000, 0.0036805500000000, -0.0112740600000000 ] - [ -0.0000751700000000, 0.0019963400000000, 0.0004889900000000 ] - [ 0.0001321500000000, 0.0019746000000000, -0.0002945300000000 ] - [ -0.0001102700000000, 0.0019926900000000, -0.0000692700000000 ] - [ 0.1202834100000000, 0.0503099300000000, 0.0358342700000000 ] - [ 0.0021390300000000, 0.0016645600000000, 0.0007594900000000 ] - [ 0.0042491700000000, 0.0020275800000000, 0.0012680900000000 ] - [ 0.0031719700000000, 0.0019683100000000, 0.0009927400000000 ] - [ 0.0046116400000000, 0.0026625300000000, 0.0007545400000000 ] - [ 0.0031719200000000, 0.0020414900000000, 0.0010097400000000 ] - [ 0.0042295000000000, 0.0024073100000000, 0.0012525300000000 ] - [ 0.0032839900000000, 0.0019920800000000, 0.0010194500000000 ] - [ -0.0019803100000000, -0.0017047300000000, 0.0009400700000000 ] - [ -0.0046946900000000, -0.0026924000000000, 0.0014532900000000 ] - [ -0.0039545400000000, -0.0032336600000000, 0.0005005800000000 ] - [ -0.0043688400000000, -0.0024880400000000, 0.0013345900000000 ] - [ -0.0019825700000000, -0.0018431800000000, 0.0005220500000000 ] - [ -0.0046958100000000, -0.0026871200000000, 0.0014667800000000 ] - [ -0.0039556600000000, -0.0030741700000000, 0.0025710200000000 ] - [ -0.0043690100000000, -0.0025140600000000, 0.0013533300000000 ] - [ -0.0001031400000000, -0.0009792200000000, -0.0012221200000000 ] - [ -0.0005380200000000, -0.0023056300000000, 0.0005645200000000 ] - [ -0.0004207000000000, -0.0031873300000000, -0.0016329700000000 ] - [ -0.0001962800000000, -0.0017431200000000, 0.0001800100000000 ] - [ 0.0001080700000000, -0.0019781400000000, 0.0000170700000000 ] - [ -0.0000650100000000, -0.0020499100000000, -0.0006788400000000 ] - [ -0.0000393800000000, -0.0019819900000000, -0.0000035700000000 ] - [ -0.0000294000000000, -0.0019887500000000, -0.0004793200000000 ] - [ -0.0006459700000000, -0.0044640600000000, -0.0010896000000000 ] - [ -0.0002793600000000, -0.0067243400000000, -0.0001474500000000 ] - [ 0.0000442400000000, -0.0076979700000000, -0.0007252100000000 ] - [ -0.0000314400000000, -0.0062839100000000, -0.0001936700000000 ] - [ -0.0001744800000000, -0.0043665900000000, 0.0017455400000000 ] - [ -0.0005579500000000, -0.0072825000000000, -0.0008247700000000 ] - [ 0.0000431400000000, -0.0069938300000000, -0.0003467500000000 ] - [ -0.0000524800000000, -0.0064086300000000, -0.0002685100000000 ] - [ 0.0030385300000000, -0.0019411500000000, 0.0008710000000000 ] - [ 0.0035941600000000, -0.0024194100000000, 0.0013515000000000 ] - [ 0.0030492300000000, -0.0020700300000000, 0.0008475900000000 ] - [ 0.0035244500000000, -0.0017051600000000, 0.0013239300000000 ] - [ 0.0035965500000000, -0.0021928400000000, 0.0012339200000000 ] - [ 0.0030377400000000, -0.0024747400000000, 0.0006802800000000 ] - [ 0.0035216000000000, -0.0021651800000000, 0.0012480400000000 ] - [ 0.0030532000000000, -0.0014571500000000, 0.0006875400000000 ] - [ -0.0073251400000000, 0.0032942500000000, 0.0018727100000000 ] - [ -0.0139852300000000, 0.0046601400000000, 0.0027928700000000 ] - [ -0.0043086600000000, 0.0025317700000000, 0.0014089500000000 ] - [ -0.0033024500000000, 0.0015384400000000, 0.0009864400000000 ] - [ -0.0042098100000000, 0.0024794000000000, 0.0013083000000000 ] - [ -0.0036543400000000, 0.0022399800000000, 0.0006932800000000 ] - [ -0.0041545200000000, 0.0024324800000000, 0.0012536000000000 ] - [ -0.0033402300000000, 0.0019493300000000, 0.0010054800000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000011800000000, 0.0002092100000000, -0.0000231800000000 ] - [ -0.0001004600000000, 0.0003285500000000, -0.0010956200000000 ] - [ 0.0005251200000000, -0.0000426400000000, -0.0013174300000000 ] - [ -0.0003313600000000, 0.0001626600000000, -0.0010300600000000 ] - [ 0.0001024600000000, -0.0006230300000000, -0.0015522000000000 ] - [ -0.0000922400000000, 0.0003395100000000, -0.0010622200000000 ] - [ 0.0003207800000000, 0.0003328400000000, -0.0009060300000000 ] - [ -0.0002651500000000, 0.0002033700000000, -0.0010230900000000 ] - [ 0.0000383600000000, -0.0015341800000000, 0.0017227700000000 ] - [ -0.0010408800000000, -0.0007156700000000, 0.0021194800000000 ] - [ -0.0003202900000000, 0.0126004400000000, -0.0021798800000000 ] - [ -0.0010087500000000, -0.0005811000000000, 0.0020975600000000 ] - [ -0.0007971100000000, -0.0007658100000000, 0.0020837500000000 ] - [ -0.0009937500000000, -0.0007152200000000, 0.0021400400000000 ] - [ -0.0005815800000000, -0.0003291700000000, 0.0018252000000000 ] - [ -0.0009522300000000, -0.0005886500000000, 0.0020956100000000 ] - [ 0.0008887200000000, 0.0012377500000000, -0.0006474300000000 ] - [ 0.0006828900000000, 0.0006781900000000, 0.0020484200000000 ] - [ 0.0011370400000000, 0.0002853800000000, 0.0020560900000000 ] - [ 0.0007635900000000, 0.0004986000000000, 0.0020207500000000 ] - [ 0.0020713000000000, 0.0016076200000000, 0.0022909100000000 ] - [ 0.0006751700000000, 0.0007071600000000, 0.0020416400000000 ] - [ 0.0009042000000000, 0.0003647000000000, 0.0021447700000000 ] - [ 0.0007671700000000, 0.0004847000000000, 0.0020335200000000 ] - [ -0.0073591700000000, 0.0048440000000000, 0.0016283500000000 ] - [ -0.0010041000000000, -0.0005400300000000, -0.0011135300000000 ] - [ -0.0000502900000000, -0.0005984400000000, -0.0009550500000000 ] - [ 0.0000551200000000, -0.0001501500000000, -0.0010150300000000 ] - [ 0.0001017500000000, -0.0002311400000000, -0.0011038000000000 ] - [ -0.0000935600000000, -0.0001653300000000, -0.0010179500000000 ] - [ -0.0000065300000000, -0.0004872000000000, -0.0012561200000000 ] - [ -0.0000022000000000, -0.0001998500000000, -0.0010020700000000 ] - [ -0.0010159800000000, 0.0009773300000000, 0.0020176000000000 ] - [ -0.0008057100000000, 0.0005531800000000, 0.0031103400000000 ] - [ -0.0011158300000000, 0.0003415300000000, 0.0020930300000000 ] - [ -0.0007685200000000, 0.0004428600000000, 0.0019525700000000 ] - [ -0.0008503600000000, 0.0008960300000000, 0.0021760100000000 ] - [ -0.0015463100000000, 0.0012407800000000, 0.0014643100000000 ] - [ -0.0009902200000000, 0.0004217400000000, 0.0020983200000000 ] - [ -0.0006870000000000, 0.0004007300000000, 0.0020570600000000 ] - [ 0.0008944900000000, -0.0007013300000000, 0.0021206500000000 ] - [ -0.0000218700000000, -0.0017876200000000, 0.0018955400000000 ] - [ 0.0003737000000000, -0.0005806000000000, 0.0020858400000000 ] - [ 0.0013300600000000, 0.0003516600000000, 0.0016908700000000 ] - [ 0.0008851300000000, -0.0006863400000000, 0.0020971900000000 ] - [ 0.0009074100000000, -0.0007829900000000, 0.0021224100000000 ] - [ 0.0006473100000000, -0.0004879500000000, 0.0018923700000000 ] - [ 0.0009560800000000, -0.0004941600000000, 0.0021061200000000 ] - [ 0.0464853600000000, 0.0337325000000000, 0.0133387600000000 ] - [ -0.0007703200000000, -0.0086178700000000, -0.0047349700000000 ] - [ 0.0000790600000000, -0.0106549800000000, -0.0045799400000000 ] - [ -0.0002713100000000, -0.0090712200000000, -0.0049362700000000 ] - [ 0.0001825400000000, -0.0089337900000000, -0.0051229700000000 ] - [ -0.0002774100000000, -0.0088824600000000, -0.0049799500000000 ] - [ 0.0002292600000000, -0.0091046300000000, -0.0050659100000000 ] - [ -0.0002126700000000, -0.0090803800000000, -0.0050093000000000 ] - [ 0.0003190400000000, 0.0096634500000000, -0.0043773500000000 ] - [ -0.0001813100000000, 0.0087958100000000, -0.0045654000000000 ] - [ -0.0006266900000000, 0.0087256500000000, -0.0057692800000000 ] - [ -0.0002711900000000, 0.0090227600000000, -0.0048854100000000 ] - [ 0.0004037400000000, 0.0091713200000000, -0.0050405200000000 ] - [ -0.0003255700000000, 0.0086123300000000, -0.0051282600000000 ] - [ -0.0015075700000000, 0.0084463000000000, -0.0047098500000000 ] - [ -0.0003694200000000, 0.0090171400000000, -0.0050220300000000 ] - [ 0.0045385200000000, 0.0130026700000000, 0.0005788300000000 ] - [ 0.0000499500000000, 0.0063065300000000, -0.0002040100000000 ] - [ -0.0007739900000000, 0.0089718600000000, -0.0006907800000000 ] - [ 0.0001309200000000, 0.0067646900000000, -0.0003666400000000 ] - [ -0.0000328400000000, 0.0066293700000000, -0.0000657500000000 ] - [ 0.0000415100000000, 0.0064584300000000, -0.0002685900000000 ] - [ -0.0001358200000000, 0.0066792000000000, -0.0003649300000000 ] - [ 0.0001095400000000, 0.0067228900000000, -0.0003387900000000 ] - [ -0.0002171400000000, 0.0017826600000000, -0.0003542400000000 ] - [ 0.0000698200000000, 0.0019441000000000, -0.0001610100000000 ] - [ -0.0000998000000000, 0.0021170500000000, -0.0000508400000000 ] - [ 0.0001091400000000, 0.0020854300000000, -0.0001383500000000 ] - [ -0.0016744200000000, 0.0007621000000000, 0.0058953500000000 ] - [ 0.0000371800000000, 0.0019705900000000, -0.0004342400000000 ] - [ -0.0001028100000000, 0.0020542400000000, -0.0006395900000000 ] - [ 0.0000735900000000, 0.0020740300000000, -0.0002410000000000 ] - [ -0.0424727200000000, -0.0608263300000000, -0.0155400000000000 ] - [ 0.0043960200000000, 0.0023997800000000, 0.0012931100000000 ] - [ 0.0040259000000000, 0.0028186300000000, 0.0013516900000000 ] - [ 0.0040893100000000, 0.0024562600000000, 0.0012855900000000 ] - [ 0.0033914200000000, 0.0019205100000000, 0.0014034100000000 ] - [ 0.0040164000000000, 0.0023146300000000, 0.0012443700000000 ] - [ 0.0036515000000000, 0.0023473000000000, 0.0011521700000000 ] - [ 0.0040653900000000, 0.0024498100000000, 0.0012694400000000 ] - [ -0.0042138900000000, -0.0022197900000000, 0.0011226700000000 ] - [ -0.0033688800000000, -0.0020302200000000, 0.0010250000000000 ] - [ -0.0029852400000000, -0.0012495200000000, 0.0018806700000000 ] - [ -0.0035466800000000, -0.0022152900000000, 0.0011150500000000 ] - [ -0.0043543500000000, -0.0022225400000000, 0.0014345600000000 ] - [ -0.0033659000000000, -0.0020308500000000, 0.0010501700000000 ] - [ -0.0028291600000000, -0.0012536500000000, -0.0004882000000000 ] - [ -0.0035699600000000, -0.0022146900000000, 0.0011213300000000 ] - [ -0.0000779300000000, -0.0017592800000000, -0.0009274900000000 ] - [ 0.0002989600000000, -0.0018621700000000, -0.0006238800000000 ] - [ 0.0004620700000000, -0.0011455100000000, 0.0012784300000000 ] - [ 0.0000494400000000, -0.0021945200000000, -0.0003572400000000 ] - [ -0.0000335000000000, -0.0019890700000000, -0.0001445500000000 ] - [ 0.0000281800000000, -0.0019838800000000, 0.0000489200000000 ] - [ 0.0000480400000000, -0.0020623200000000, -0.0005796400000000 ] - [ 0.0000078100000000, -0.0020480800000000, -0.0001233000000000 ] - [ 0.0000890700000000, -0.0074851900000000, -0.0003099400000000 ] - [ 0.0001425600000000, -0.0065186800000000, -0.0004021400000000 ] - [ -0.0000317700000000, -0.0054973300000000, 0.0000719000000000 ] - [ -0.0000080800000000, -0.0067844200000000, -0.0003442000000000 ] - [ -0.0001965400000000, -0.0069131300000000, -0.0004094000000000 ] - [ 0.0003634100000000, -0.0061657500000000, -0.0000096500000000 ] - [ -0.0000012400000000, -0.0060335800000000, -0.0002494400000000 ] - [ -0.0000072300000000, -0.0066959200000000, -0.0003421800000000 ] - [ 0.0035823400000000, -0.0021035100000000, 0.0011185800000000 ] - [ 0.0038641500000000, -0.0021156300000000, 0.0010928000000000 ] - [ 0.0045980600000000, -0.0026914800000000, 0.0014924800000000 ] - [ 0.0038948200000000, -0.0026631300000000, 0.0010492300000000 ] - [ 0.0036411800000000, -0.0021180200000000, 0.0011238200000000 ] - [ 0.0041176100000000, -0.0021046200000000, 0.0014596300000000 ] - [ 0.0043565100000000, -0.0026650300000000, 0.0012801300000000 ] - [ 0.0039856200000000, -0.0026932900000000, 0.0013557300000000 ] - [ -0.0027664100000000, 0.0016758300000000, 0.0009565500000000 ] - [ -0.0014043600000000, -0.0040842900000000, -0.0033068400000000 ] - [ -0.0035273900000000, 0.0022925800000000, 0.0010845900000000 ] - [ -0.0045140600000000, 0.0029994200000000, 0.0014582900000000 ] - [ -0.0035801800000000, 0.0020379600000000, 0.0011154300000000 ] - [ -0.0038130500000000, 0.0022186800000000, 0.0014137000000000 ] - [ -0.0036248100000000, 0.0023151400000000, 0.0011443500000000 ] - [ -0.0041088700000000, 0.0025045000000000, 0.0012691000000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000056400000000, 0.0002884500000000, -0.0020750200000000 ] - [ 0.0001041000000000, 0.0001748500000000, -0.0010002500000000 ] - [ -0.0005240000000000, 0.0005421100000000, -0.0007807800000000 ] - [ 0.0003305000000000, 0.0003381600000000, -0.0010649000000000 ] - [ -0.0001009100000000, 0.0011210800000000, -0.0005428800000000 ] - [ 0.0000925800000000, 0.0001621500000000, -0.0010321700000000 ] - [ -0.0003200900000000, 0.0001701400000000, -0.0011866000000000 ] - [ 0.0002640400000000, 0.0002977500000000, -0.0010712200000000 ] - [ -0.0017664900000000, 0.0002872100000000, 0.0024238000000000 ] - [ -0.0006795100000000, -0.0005243700000000, 0.0020259900000000 ] - [ -0.0013634900000000, -0.0131246400000000, 0.0060651100000000 ] - [ -0.0007120100000000, -0.0006579500000000, 0.0020475900000000 ] - [ -0.0009235300000000, -0.0004746800000000, 0.0020647000000000 ] - [ -0.0007269400000000, -0.0005240400000000, 0.0020046000000000 ] - [ -0.0011377700000000, -0.0009079600000000, 0.0023204100000000 ] - [ -0.0007680800000000, -0.0006504700000000, 0.0020494100000000 ] - [ 0.0008346300000000, 0.0000310600000000, 0.0047294700000000 ] - [ 0.0010375200000000, 0.0005624200000000, 0.0021046500000000 ] - [ 0.0005832600000000, 0.0009503300000000, 0.0020949800000000 ] - [ 0.0009575400000000, 0.0007416000000000, 0.0021326800000000 ] - [ -0.0003460900000000, -0.0003628400000000, 0.0018611700000000 ] - [ 0.0010454100000000, 0.0005337400000000, 0.0021116500000000 ] - [ 0.0008153300000000, 0.0008741800000000, 0.0020098600000000 ] - [ 0.0009536200000000, 0.0007548400000000, 0.0021200100000000 ] - [ 0.0075020200000000, -0.0053241100000000, -0.0037617800000000 ] - [ 0.0010025900000000, 0.0000357500000000, -0.0009813800000000 ] - [ 0.0000482900000000, 0.0000950000000000, -0.0011396700000000 ] - [ -0.0000537700000000, -0.0003524900000000, -0.0010791600000000 ] - [ -0.0001009400000000, -0.0002720400000000, -0.0009873100000000 ] - [ 0.0000925300000000, -0.0003386100000000, -0.0010770100000000 ] - [ 0.0000062200000000, -0.0000176100000000, -0.0008388200000000 ] - [ 0.0000024800000000, -0.0003034100000000, -0.0010927000000000 ] - [ -0.0007022900000000, 0.0002667800000000, 0.0021263000000000 ] - [ -0.0009167300000000, 0.0006900400000000, 0.0010323400000000 ] - [ -0.0006053600000000, 0.0008941400000000, 0.0020512500000000 ] - [ -0.0009522000000000, 0.0007972300000000, 0.0021908200000000 ] - [ -0.0008699600000000, 0.0003468100000000, 0.0019695100000000 ] - [ -0.0001767500000000, 0.0000025600000000, 0.0026822200000000 ] - [ -0.0007304100000000, 0.0008175400000000, 0.0020470900000000 ] - [ -0.0010326700000000, 0.0008389300000000, 0.0020885800000000 ] - [ 0.0008312600000000, -0.0005399400000000, 0.0020296800000000 ] - [ 0.0017469500000000, 0.0005525000000000, 0.0022597500000000 ] - [ 0.0013459000000000, -0.0006585700000000, 0.0020672200000000 ] - [ 0.0003947200000000, -0.0015901600000000, 0.0024641000000000 ] - [ 0.0008366000000000, -0.0005530800000000, 0.0020597100000000 ] - [ 0.0008124300000000, -0.0004568900000000, 0.0020308600000000 ] - [ 0.0010718400000000, -0.0007501400000000, 0.0022609300000000 ] - [ 0.0007642300000000, -0.0007432300000000, 0.0020469800000000 ] - [ -0.0474207900000000, -0.0516787100000000, -0.0236492200000000 ] - [ 0.0007703700000000, -0.0093013100000000, -0.0051688000000000 ] - [ -0.0000815100000000, -0.0072791000000000, -0.0053190600000000 ] - [ 0.0002725300000000, -0.0088507400000000, -0.0049679800000000 ] - [ -0.0001805700000000, -0.0089864000000000, -0.0047733600000000 ] - [ 0.0002779500000000, -0.0090387800000000, -0.0049247700000000 ] - [ -0.0002309800000000, -0.0088173700000000, -0.0048404900000000 ] - [ 0.0002127200000000, -0.0088400400000000, -0.0048945000000000 ] - [ -0.0003153400000000, 0.0082485500000000, -0.0055035300000000 ] - [ 0.0001799600000000, 0.0091269800000000, -0.0053431100000000 ] - [ 0.0006303200000000, 0.0091981100000000, -0.0041286000000000 ] - [ 0.0002716400000000, 0.0088993900000000, -0.0050205400000000 ] - [ -0.0004074900000000, 0.0087386500000000, -0.0048643700000000 ] - [ 0.0003267200000000, 0.0093065700000000, -0.0047762100000000 ] - [ 0.0014998200000000, 0.0094740800000000, -0.0051942900000000 ] - [ 0.0003697600000000, 0.0089044200000000, -0.0048800600000000 ] - [ -0.0046292700000000, 0.0000722700000000, -0.0012033300000000 ] - [ -0.0000508300000000, 0.0068646000000000, -0.0004040700000000 ] - [ 0.0007719400000000, 0.0042280200000000, 0.0000760100000000 ] - [ -0.0001315200000000, 0.0064133300000000, -0.0002429400000000 ] - [ 0.0000334400000000, 0.0065508900000000, -0.0005452300000000 ] - [ -0.0000414900000000, 0.0067156100000000, -0.0003399100000000 ] - [ 0.0001371600000000, 0.0064965000000000, -0.0002448700000000 ] - [ -0.0001096800000000, 0.0064530600000000, -0.0002706000000000 ] - [ 0.0002215600000000, 0.0022500600000000, -0.0000735000000000 ] - [ -0.0000705300000000, 0.0020877200000000, -0.0002566200000000 ] - [ 0.0001002600000000, 0.0019161100000000, -0.0003627000000000 ] - [ -0.0001095700000000, 0.0019471900000000, -0.0002781300000000 ] - [ 0.0016853500000000, 0.0032745000000000, -0.0062902900000000 ] - [ -0.0000374600000000, 0.0020613200000000, 0.0000159500000000 ] - [ 0.0001026600000000, 0.0019782300000000, 0.0002231500000000 ] - [ -0.0000743100000000, 0.0019598400000000, -0.0001742400000000 ] - [ 0.0508905500000000, 0.0646628100000000, 0.0186309300000000 ] - [ 0.0031909700000000, 0.0021386200000000, 0.0010701900000000 ] - [ 0.0035613200000000, 0.0017219300000000, 0.0010122400000000 ] - [ 0.0034934400000000, 0.0020826400000000, 0.0010761600000000 ] - [ 0.0041887500000000, 0.0026154900000000, 0.0009583600000000 ] - [ 0.0035682200000000, 0.0022235500000000, 0.0011191500000000 ] - [ 0.0039360000000000, 0.0021929500000000, 0.0012108900000000 ] - [ 0.0035210800000000, 0.0020905500000000, 0.0010941600000000 ] - [ -0.0033656900000000, -0.0023143300000000, 0.0012371200000000 ] - [ -0.0042135600000000, -0.0025072300000000, 0.0013371500000000 ] - [ -0.0045897200000000, -0.0032812500000000, 0.0004844600000000 ] - [ -0.0040403200000000, -0.0023243000000000, 0.0012480100000000 ] - [ -0.0032294300000000, -0.0023165700000000, 0.0009278100000000 ] - [ -0.0042196800000000, -0.0025067700000000, 0.0013131400000000 ] - [ -0.0047540400000000, -0.0032848000000000, 0.0028501900000000 ] - [ -0.0040153700000000, -0.0023250400000000, 0.0012403000000000 ] - [ 0.0000663800000000, -0.0022654800000000, 0.0004960400000000 ] - [ -0.0003006300000000, -0.0021697400000000, 0.0002153200000000 ] - [ -0.0004677900000000, -0.0028866300000000, -0.0016844700000000 ] - [ -0.0000500000000000, -0.0018395200000000, -0.0000572100000000 ] - [ 0.0000340100000000, -0.0020441200000000, -0.0002766100000000 ] - [ -0.0000279600000000, -0.0020489100000000, -0.0004646900000000 ] - [ -0.0000473200000000, -0.0019707600000000, 0.0001549100000000 ] - [ -0.0000084200000000, -0.0019846600000000, -0.0002927600000000 ] - [ -0.0000929500000000, -0.0056903500000000, -0.0003002800000000 ] - [ -0.0001427300000000, -0.0066608600000000, -0.0002087600000000 ] - [ 0.0000326300000000, -0.0076792600000000, -0.0006824100000000 ] - [ 0.0000077000000000, -0.0063903500000000, -0.0002639300000000 ] - [ 0.0001919500000000, -0.0062493500000000, -0.0001887000000000 ] - [ -0.0003637000000000, -0.0070085900000000, -0.0005993300000000 ] - [ 0.0000020600000000, -0.0071339000000000, -0.0003581600000000 ] - [ 0.0000068500000000, -0.0064802600000000, -0.0002682500000000 ] - [ 0.0039969700000000, -0.0024310000000000, 0.0012399300000000 ] - [ 0.0037182000000000, -0.0024217900000000, 0.0012694300000000 ] - [ 0.0029857100000000, -0.0018465700000000, 0.0008701000000000 ] - [ 0.0036910300000000, -0.0018756200000000, 0.0013136200000000 ] - [ 0.0039456400000000, -0.0024213600000000, 0.0012396600000000 ] - [ 0.0034665700000000, -0.0024327300000000, 0.0009008300000000 ] - [ 0.0032367700000000, -0.0018800700000000, 0.0010854900000000 ] - [ 0.0035983800000000, -0.0018462600000000, 0.0010052600000000 ] - [ -0.0048219600000000, 0.0028624500000000, 0.0014066300000000 ] - [ -0.0061734200000000, 0.0086480100000000, 0.0057033700000000 ] - [ -0.0040587300000000, 0.0022477300000000, 0.0012785500000000 ] - [ -0.0030699300000000, 0.0015389700000000, 0.0009041500000000 ] - [ -0.0040055800000000, 0.0025012700000000, 0.0012483000000000 ] - [ -0.0037662300000000, 0.0023162700000000, 0.0009477900000000 ] - [ -0.0039627100000000, 0.0022251500000000, 0.0012197200000000 ] - [ -0.0034771100000000, 0.0020363700000000, 0.0010946900000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002437400000000, 0.0005274900000000, -0.0003206300000000 ] - [ -0.0002332800000000, 0.0002185500000000, -0.0010160400000000 ] - [ 0.0003690400000000, -0.0000282700000000, -0.0010664000000000 ] - [ -0.0002212200000000, 0.0001854600000000, -0.0010172800000000 ] - [ 0.0002311900000000, -0.0005021900000000, -0.0016329900000000 ] - [ -0.0000389100000000, 0.0003244300000000, -0.0010877400000000 ] - [ 0.0000453100000000, 0.0003395900000000, -0.0011239800000000 ] - [ -0.0000238000000000, 0.0002948200000000, -0.0010738800000000 ] - [ -0.0000692200000000, -0.0011022100000000, 0.0019219300000000 ] - [ -0.0009735400000000, -0.0006542900000000, 0.0021204000000000 ] - [ -0.0007802600000000, -0.0066455800000000, 0.0041430900000000 ] - [ -0.0009517400000000, -0.0006145500000000, 0.0021141900000000 ] - [ -0.0009442900000000, -0.0006054000000000, 0.0019142200000000 ] - [ -0.0009650500000000, -0.0006584500000000, 0.0020890500000000 ] - [ -0.0008303200000000, -0.0006916700000000, 0.0017684900000000 ] - [ -0.0009260800000000, -0.0006503400000000, 0.0020722100000000 ] - [ 0.0018114600000000, 0.0004878700000000, 0.0168908700000000 ] - [ 0.0007476000000000, 0.0006264200000000, 0.0020761100000000 ] - [ 0.0010822300000000, 0.0005902700000000, 0.0022023500000000 ] - [ 0.0007992000000000, 0.0005756600000000, 0.0020597500000000 ] - [ 0.0016837400000000, 0.0010725500000000, 0.0012423200000000 ] - [ 0.0007400200000000, 0.0006444200000000, 0.0020164500000000 ] - [ 0.0008404900000000, 0.0005642300000000, 0.0020177400000000 ] - [ 0.0007901100000000, 0.0005526100000000, 0.0020332800000000 ] - [ -0.0043080100000000, 0.0024654400000000, 0.0008921900000000 ] - [ -0.0006866900000000, -0.0004201600000000, -0.0011596900000000 ] - [ 0.0000478800000000, -0.0004358500000000, -0.0008767900000000 ] - [ -0.0000331300000000, -0.0002158000000000, -0.0010258700000000 ] - [ -0.0000480400000000, -0.0001704700000000, -0.0013388600000000 ] - [ 0.0000523900000000, -0.0001211700000000, -0.0010339000000000 ] - [ -0.0000231000000000, -0.0002414100000000, -0.0012910500000000 ] - [ 0.0000028400000000, -0.0001985900000000, -0.0010342800000000 ] - [ -0.0012431300000000, 0.0006898300000000, 0.0020656800000000 ] - [ -0.0005307500000000, 0.0005278800000000, 0.0027538400000000 ] - [ -0.0010620100000000, 0.0006380900000000, 0.0021461600000000 ] - [ -0.0008152800000000, 0.0005611000000000, 0.0020926800000000 ] - [ -0.0007664600000000, 0.0006227200000000, 0.0020121400000000 ] - [ -0.0014581100000000, 0.0011819500000000, 0.0014328500000000 ] - [ -0.0008258700000000, 0.0005811200000000, 0.0020411600000000 ] - [ -0.0008026400000000, 0.0005318800000000, 0.0020039000000000 ] - [ 0.0007394200000000, -0.0005904500000000, 0.0022345400000000 ] - [ 0.0003907700000000, -0.0011481900000000, 0.0019075900000000 ] - [ 0.0006820600000000, -0.0005613600000000, 0.0022719400000000 ] - [ 0.0008054000000000, 0.0001888300000000, 0.0018469200000000 ] - [ 0.0008810800000000, -0.0006256600000000, 0.0018714500000000 ] - [ 0.0010178600000000, -0.0006224500000000, 0.0020928500000000 ] - [ 0.0008414700000000, -0.0006576200000000, 0.0018505000000000 ] - [ 0.0009499000000000, -0.0007070100000000, 0.0020904100000000 ] - [ 0.0318700500000000, 0.0089666900000000, 0.0226549800000000 ] - [ -0.0005036300000000, -0.0088024900000000, -0.0047813000000000 ] - [ 0.0000596300000000, -0.0092877300000000, -0.0049323900000000 ] - [ -0.0002402400000000, -0.0090013000000000, -0.0048445500000000 ] - [ -0.0002790500000000, -0.0091331200000000, -0.0067190800000000 ] - [ -0.0001599600000000, -0.0089305100000000, -0.0050408600000000 ] - [ 0.0001331500000000, -0.0089975100000000, -0.0050395300000000 ] - [ -0.0001236100000000, -0.0089667200000000, -0.0050616100000000 ] - [ 0.0001119400000000, 0.0104616300000000, -0.0041449400000000 ] - [ -0.0000844500000000, 0.0089009700000000, -0.0045720300000000 ] - [ -0.0011744800000000, 0.0083823900000000, -0.0041793900000000 ] - [ -0.0000632300000000, 0.0089153800000000, -0.0047417100000000 ] - [ 0.0002331800000000, 0.0085517900000000, -0.0052619500000000 ] - [ -0.0002595400000000, 0.0087520500000000, -0.0051677100000000 ] - [ 0.0007121300000000, 0.0091204900000000, -0.0053181300000000 ] - [ -0.0003582500000000, 0.0090660700000000, -0.0051017100000000 ] - [ -0.0029130100000000, 0.0103424900000000, -0.0032201100000000 ] - [ 0.0000646700000000, 0.0065162700000000, -0.0003264200000000 ] - [ -0.0002580300000000, 0.0070386200000000, -0.0005692800000000 ] - [ 0.0000705300000000, 0.0066828300000000, -0.0003704900000000 ] - [ -0.0000402300000000, 0.0061441900000000, 0.0000965600000000 ] - [ 0.0000452000000000, 0.0065337200000000, -0.0002468300000000 ] - [ -0.0000569400000000, 0.0066485900000000, -0.0002625600000000 ] - [ 0.0000345400000000, 0.0065945000000000, -0.0002651900000000 ] - [ -0.0006946300000000, 0.0016320300000000, 0.0023540700000000 ] - [ 0.0000873100000000, 0.0020041500000000, -0.0000491900000000 ] - [ -0.0000822200000000, 0.0020474000000000, -0.0000661300000000 ] - [ 0.0000894000000000, 0.0020275700000000, -0.0000431800000000 ] - [ 0.0054111200000000, 0.0052031700000000, 0.0046615600000000 ] - [ 0.0000081300000000, 0.0020177900000000, -0.0003958100000000 ] - [ -0.0000152900000000, 0.0020356500000000, -0.0002844300000000 ] - [ 0.0000088500000000, 0.0020260900000000, -0.0003266500000000 ] - [ -0.0299165800000000, -0.0147650000000000, -0.0476262900000000 ] - [ 0.0041929700000000, 0.0023674300000000, 0.0012453600000000 ] - [ 0.0036892000000000, 0.0024322700000000, 0.0010883500000000 ] - [ 0.0039654900000000, 0.0023686800000000, 0.0012177500000000 ] - [ 0.0042000900000000, 0.0024851300000000, 0.0017320100000000 ] - [ 0.0039425300000000, 0.0023207700000000, 0.0012416200000000 ] - [ 0.0037002700000000, 0.0022281700000000, 0.0012164700000000 ] - [ 0.0039357500000000, 0.0023484800000000, 0.0012357700000000 ] - [ -0.0044525800000000, -0.0025240400000000, 0.0012404100000000 ] - [ -0.0034831600000000, -0.0021253500000000, 0.0010792400000000 ] - [ -0.0023861100000000, -0.0005840000000000, 0.0018074900000000 ] - [ -0.0036179400000000, -0.0022097600000000, 0.0011331500000000 ] - [ -0.0040083800000000, -0.0021997200000000, 0.0012296900000000 ] - [ -0.0035046400000000, -0.0021052200000000, 0.0010828700000000 ] - [ -0.0044552800000000, -0.0029619000000000, 0.0018071100000000 ] - [ -0.0036155400000000, -0.0021910300000000, 0.0011228100000000 ] - [ -0.0000552600000000, -0.0021563700000000, -0.0006986800000000 ] - [ 0.0002381800000000, -0.0018809900000000, -0.0006042500000000 ] - [ -0.0000953000000000, -0.0019256000000000, -0.0004568100000000 ] - [ 0.0000918300000000, -0.0021499100000000, -0.0004896600000000 ] - [ 0.0000169000000000, -0.0020461700000000, 0.0002942000000000 ] - [ -0.0000068800000000, -0.0020177400000000, 0.0000986100000000 ] - [ 0.0000242500000000, -0.0019631100000000, 0.0003583200000000 ] - [ -0.0000062200000000, -0.0020000100000000, 0.0000123100000000 ] - [ 0.0007185800000000, -0.0085656200000000, 0.0001675000000000 ] - [ 0.0000423600000000, -0.0066527200000000, -0.0004018200000000 ] - [ 0.0000059900000000, -0.0059337300000000, -0.0001303600000000 ] - [ -0.0000008600000000, -0.0066903500000000, -0.0003389400000000 ] - [ -0.0003742300000000, -0.0059579600000000, 0.0001686700000000 ] - [ 0.0002304600000000, -0.0063261400000000, -0.0001605100000000 ] - [ -0.0000072200000000, -0.0066770200000000, -0.0003843200000000 ] - [ 0.0000165900000000, -0.0066899800000000, -0.0003301000000000 ] - [ 0.0042949700000000, -0.0025504100000000, 0.0013293600000000 ] - [ 0.0037157900000000, -0.0021988400000000, 0.0010774600000000 ] - [ 0.0042666000000000, -0.0024333900000000, 0.0013941100000000 ] - [ 0.0037238700000000, -0.0023670700000000, 0.0010512300000000 ] - [ 0.0035978900000000, -0.0021684800000000, 0.0010747500000000 ] - [ 0.0040864900000000, -0.0022002000000000, 0.0013232700000000 ] - [ 0.0036293200000000, -0.0021284900000000, 0.0010455500000000 ] - [ 0.0041021700000000, -0.0025700800000000, 0.0013918700000000 ] - [ -0.0030768500000000, 0.0020322300000000, 0.0008117000000000 ] - [ -0.0021584500000000, -0.0022444800000000, -0.0015944000000000 ] - [ -0.0035497300000000, 0.0021640300000000, 0.0010311900000000 ] - [ -0.0039712400000000, 0.0025423100000000, 0.0012298000000000 ] - [ -0.0036433400000000, 0.0021923900000000, 0.0012156100000000 ] - [ -0.0042605500000000, 0.0024931100000000, 0.0015728400000000 ] - [ -0.0037026200000000, 0.0022225300000000, 0.0012162100000000 ] - [ -0.0039468200000000, 0.0023461500000000, 0.0012476100000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0002436200000000, -0.0000226500000000, -0.0017702500000000 ] - [ 0.0002324400000000, 0.0002819300000000, -0.0010800600000000 ] - [ -0.0003672000000000, 0.0005264700000000, -0.0010303800000000 ] - [ 0.0002196400000000, 0.0003136100000000, -0.0010793000000000 ] - [ -0.0002348700000000, 0.0010065200000000, -0.0004655400000000 ] - [ 0.0000393400000000, 0.0001777000000000, -0.0010079300000000 ] - [ -0.0000470400000000, 0.0001638300000000, -0.0009726500000000 ] - [ 0.0000239900000000, 0.0002080100000000, -0.0010220700000000 ] - [ -0.0016492600000000, -0.0001423800000000, 0.0022217200000000 ] - [ -0.0007494900000000, -0.0005884300000000, 0.0020241300000000 ] - [ -0.0009310600000000, 0.0054098200000000, 0.0000634000000000 ] - [ -0.0007700200000000, -0.0006257900000000, 0.0020322200000000 ] - [ -0.0007802400000000, -0.0006356100000000, 0.0022294900000000 ] - [ -0.0007566300000000, -0.0005831300000000, 0.0020548000000000 ] - [ -0.0008917500000000, -0.0005514300000000, 0.0023727600000000 ] - [ -0.0007965900000000, -0.0005910700000000, 0.0020702100000000 ] - [ -0.0000226900000000, 0.0007476900000000, -0.0119360900000000 ] - [ 0.0009728400000000, 0.0006162800000000, 0.0020750800000000 ] - [ 0.0006406400000000, 0.0006492600000000, 0.0019495000000000 ] - [ 0.0009226700000000, 0.0006643000000000, 0.0020914800000000 ] - [ 0.0000301900000000, 0.0001654100000000, 0.0028946000000000 ] - [ 0.0009804700000000, 0.0005968900000000, 0.0021349900000000 ] - [ 0.0008780500000000, 0.0006768800000000, 0.0021340500000000 ] - [ 0.0009293400000000, 0.0006874800000000, 0.0021183300000000 ] - [ 0.0043076300000000, -0.0029551200000000, -0.0029342400000000 ] - [ 0.0006807500000000, -0.0000831400000000, -0.0009359200000000 ] - [ -0.0000478900000000, -0.0000675500000000, -0.0012156200000000 ] - [ 0.0000330900000000, -0.0002869300000000, -0.0010677000000000 ] - [ 0.0000451900000000, -0.0003296700000000, -0.0007585600000000 ] - [ -0.0000505400000000, -0.0003806900000000, -0.0010613300000000 ] - [ 0.0000224400000000, -0.0002605200000000, -0.0008077300000000 ] - [ -0.0000025700000000, -0.0003021600000000, -0.0010628100000000 ] - [ -0.0004813700000000, 0.0005537700000000, 0.0020780100000000 ] - [ -0.0011867500000000, 0.0007137800000000, 0.0013950500000000 ] - [ -0.0006612600000000, 0.0006018000000000, 0.0019968600000000 ] - [ -0.0009068800000000, 0.0006792100000000, 0.0020500000000000 ] - [ -0.0009533800000000, 0.0006203100000000, 0.0021306000000000 ] - [ -0.0002618400000000, 0.0000556400000000, 0.0027089400000000 ] - [ -0.0008929700000000, 0.0006600500000000, 0.0021025200000000 ] - [ -0.0009168800000000, 0.0007094800000000, 0.0021392300000000 ] - [ 0.0009812600000000, -0.0006513200000000, 0.0019195000000000 ] - [ 0.0013273700000000, -0.0000985300000000, 0.0022439700000000 ] - [ 0.0010395200000000, -0.0006773200000000, 0.0018832400000000 ] - [ 0.0009146900000000, -0.0014234800000000, 0.0023045100000000 ] - [ 0.0008405900000000, -0.0006160000000000, 0.0022799400000000 ] - [ 0.0007056200000000, -0.0006177600000000, 0.0020602900000000 ] - [ 0.0008799700000000, -0.0005827300000000, 0.0022979800000000 ] - [ 0.0007737700000000, -0.0005351600000000, 0.0020598500000000 ] - [ -0.0320054900000000, -0.0269694500000000, -0.0322230700000000 ] - [ 0.0005013000000000, -0.0091185400000000, -0.0051200000000000 ] - [ -0.0000600300000000, -0.0086335800000000, -0.0049686900000000 ] - [ 0.0002383700000000, -0.0089225600000000, -0.0050548900000000 ] - [ 0.0002752900000000, -0.0087910700000000, -0.0031922100000000 ] - [ 0.0001600800000000, -0.0089921700000000, -0.0048616300000000 ] - [ -0.0001332100000000, -0.0089268900000000, -0.0048638900000000 ] - [ 0.0001246700000000, -0.0089538000000000, -0.0048408700000000 ] - [ -0.0001076600000000, 0.0074668200000000, -0.0057460000000000 ] - [ 0.0000831300000000, 0.0090236300000000, -0.0053282200000000 ] - [ 0.0011716900000000, 0.0095393500000000, -0.0057136400000000 ] - [ 0.0000637800000000, 0.0090074200000000, -0.0051570800000000 ] - [ -0.0002376600000000, 0.0093602300000000, -0.0046417100000000 ] - [ 0.0002592100000000, 0.0091700100000000, -0.0047344700000000 ] - [ -0.0007030800000000, 0.0088071200000000, -0.0045862100000000 ] - [ 0.0003571700000000, 0.0088555100000000, -0.0047979800000000 ] - [ 0.0029237800000000, 0.0028770200000000, 0.0025891300000000 ] - [ -0.0000627300000000, 0.0066868900000000, -0.0002925800000000 ] - [ 0.0002591500000000, 0.0061502300000000, -0.0000455900000000 ] - [ -0.0000719800000000, 0.0065110300000000, -0.0002434200000000 ] - [ 0.0000407100000000, 0.0070492200000000, -0.0007098700000000 ] - [ -0.0000446300000000, 0.0066663900000000, -0.0003683300000000 ] - [ 0.0000591600000000, 0.0065545900000000, -0.0003545400000000 ] - [ -0.0000350600000000, 0.0066009600000000, -0.0003495200000000 ] - [ 0.0006914100000000, 0.0023991800000000, -0.0027339700000000 ] - [ -0.0000860500000000, 0.0020280300000000, -0.0003420400000000 ] - [ 0.0000823800000000, 0.0019844000000000, -0.0003204900000000 ] - [ -0.0000894700000000, 0.0020037100000000, -0.0003518500000000 ] - [ -0.0055028200000000, -0.0012227600000000, -0.0051549400000000 ] - [ -0.0000087200000000, 0.0020140300000000, 0.0000055800000000 ] - [ 0.0000163300000000, 0.0019973700000000, -0.0001150500000000 ] - [ -0.0000099500000000, 0.0020081600000000, -0.0000757500000000 ] - [ 0.0376129700000000, 0.0194114700000000, 0.0488504500000000 ] - [ 0.0033742200000000, 0.0021587200000000, 0.0011084000000000 ] - [ 0.0038819000000000, 0.0020988000000000, 0.0012674600000000 ] - [ 0.0036065900000000, 0.0021654500000000, 0.0011387600000000 ] - [ 0.0033750100000000, 0.0020492100000000, 0.0006277500000000 ] - [ 0.0036236300000000, 0.0022070400000000, 0.0011144700000000 ] - [ 0.0038662300000000, 0.0022983200000000, 0.0011394600000000 ] - [ 0.0036355400000000, 0.0021829100000000, 0.0011213200000000 ] - [ -0.0031366000000000, -0.0020177900000000, 0.0011228200000000 ] - [ -0.0040791200000000, -0.0024008000000000, 0.0012740800000000 ] - [ -0.0051680200000000, -0.0039334500000000, 0.0005501500000000 ] - [ -0.0039670600000000, -0.0023286000000000, 0.0012285300000000 ] - [ -0.0035535100000000, -0.0023275400000000, 0.0011230500000000 ] - [ -0.0040680100000000, -0.0024252300000000, 0.0012750700000000 ] - [ -0.0031245400000000, -0.0015750900000000, 0.0005501900000000 ] - [ -0.0039481700000000, -0.0023366900000000, 0.0012283100000000 ] - [ 0.0000526800000000, -0.0018728000000000, 0.0002717600000000 ] - [ -0.0002379400000000, -0.0021497200000000, 0.0002118100000000 ] - [ 0.0000923900000000, -0.0021083700000000, 0.0000654600000000 ] - [ -0.0000911800000000, -0.0018852300000000, 0.0000744400000000 ] - [ -0.0000162900000000, -0.0019878500000000, -0.0006772900000000 ] - [ 0.0000066100000000, -0.0020162400000000, -0.0004950900000000 ] - [ -0.0000235500000000, -0.0020686700000000, -0.0007524000000000 ] - [ 0.0000049500000000, -0.0020314400000000, -0.0003979500000000 ] - [ -0.0007158100000000, -0.0046206600000000, -0.0007734600000000 ] - [ -0.0000421600000000, -0.0065524700000000, -0.0002181900000000 ] - [ -0.0000061400000000, -0.0072653700000000, -0.0004850800000000 ] - [ 0.0000012800000000, -0.0064889000000000, -0.0002684000000000 ] - [ 0.0003741100000000, -0.0072380400000000, -0.0007866900000000 ] - [ -0.0002312600000000, -0.0068702100000000, -0.0004514800000000 ] - [ 0.0000071300000000, -0.0065215300000000, -0.0002314900000000 ] - [ -0.0000165100000000, -0.0065136700000000, -0.0002891000000000 ] - [ 0.0032959300000000, -0.0019908400000000, 0.0010341800000000 ] - [ 0.0038469600000000, -0.0023284400000000, 0.0012759900000000 ] - [ 0.0033020900000000, -0.0020942700000000, 0.0009622800000000 ] - [ 0.0038617200000000, -0.0021717600000000, 0.0013079800000000 ] - [ 0.0039643700000000, -0.0023570400000000, 0.0012756600000000 ] - [ 0.0034844500000000, -0.0023307700000000, 0.0010346900000000 ] - [ 0.0039392200000000, -0.0024037300000000, 0.0013097900000000 ] - [ 0.0034635700000000, -0.0019581500000000, 0.0009621600000000 ] - [ -0.0044852700000000, 0.0024942400000000, 0.0015401800000000 ] - [ -0.0053872200000000, 0.0067745600000000, 0.0039356600000000 ] - [ -0.0040219900000000, 0.0023666700000000, 0.0013243400000000 ] - [ -0.0036000100000000, 0.0019916700000000, 0.0011270800000000 ] - [ -0.0039220500000000, 0.0023366400000000, 0.0011418600000000 ] - [ -0.0033107700000000, 0.0020373200000000, 0.0007851500000000 ] - [ -0.0038697300000000, 0.0023077900000000, 0.0011422700000000 ] - [ -0.0036184300000000, 0.0021825400000000, 0.0011083200000000 ]