# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/e012c851-3aa2-4e5b-ad25-6cf35d563cec/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 Ca3Mg(SiO4)2 / P2_1/c (14) / materials id 558209](https://mdr.nims.go.jp/datasets/ceba2ea1-f9b5-4195-b32a-b999a2c02473) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 9.348002780000000, 0.000000000000000, -0.000802850000000 ] # a - [ 0.000000000000000, 5.286054820000000, 0.000000000000000 ] # b - [ -0.544963010000000, 0.000000000000000, 13.215154990000000 ] # c points: - symbol: Ca # 1 coordinates: [ 0.577084310000000, 0.741525000000000, 0.902126910000000 ] mass: 40.078000 - symbol: Ca # 2 coordinates: [ 0.782227970000000, 0.324668940000000, 0.242291910000000 ] mass: 40.078000 - symbol: Ca # 3 coordinates: [ 0.782227970000000, 0.175331060000000, 0.742291910000000 ] mass: 40.078000 - symbol: Ca # 4 coordinates: [ 0.217772030000000, 0.675331060000000, 0.757708090000000 ] mass: 40.078000 - symbol: Ca # 5 coordinates: [ 0.072084880000000, 0.230191030000000, 0.921586320000000 ] mass: 40.078000 - symbol: Ca # 6 coordinates: [ 0.577084310000000, 0.758475000000000, 0.402126910000000 ] mass: 40.078000 - symbol: Ca # 7 coordinates: [ 0.217772030000000, 0.824668940000000, 0.257708090000000 ] mass: 40.078000 - symbol: Ca # 8 coordinates: [ 0.072084880000000, 0.269808970000000, 0.421586320000000 ] mass: 40.078000 - symbol: Ca # 9 coordinates: [ 0.927915120000000, 0.769808970000000, 0.078413680000000 ] mass: 40.078000 - symbol: Ca # 10 coordinates: [ 0.422915690000000, 0.241525000000000, 0.597873090000000 ] mass: 40.078000 - symbol: Ca # 11 coordinates: [ 0.422915690000000, 0.258475000000000, 0.097873090000000 ] mass: 40.078000 - symbol: Ca # 12 coordinates: [ 0.927915120000000, 0.730191030000000, 0.578413680000000 ] mass: 40.078000 - symbol: Mg # 13 coordinates: [ 0.745656130000000, 0.259821270000000, 0.995474910000000 ] mass: 24.305000 - symbol: Mg # 14 coordinates: [ 0.745656130000000, 0.240178730000000, 0.495474910000000 ] mass: 24.305000 - symbol: Mg # 15 coordinates: [ 0.254343870000000, 0.759821270000000, 0.504525090000000 ] mass: 24.305000 - symbol: Mg # 16 coordinates: [ 0.254343870000000, 0.740178730000000, 0.004525090000000 ] mass: 24.305000 - symbol: Si # 17 coordinates: [ 0.093585510000000, 0.225615890000000, 0.643018500000000 ] mass: 28.085500 - symbol: Si # 18 coordinates: [ 0.396295080000000, 0.225356100000000, 0.867475110000000 ] mass: 28.085500 - symbol: Si # 19 coordinates: [ 0.906414490000000, 0.774384110000000, 0.356981500000000 ] mass: 28.085500 - symbol: Si # 20 coordinates: [ 0.093585510000000, 0.274384110000000, 0.143018500000000 ] mass: 28.085500 - symbol: Si # 21 coordinates: [ 0.603704920000000, 0.725356100000000, 0.632524890000000 ] mass: 28.085500 - symbol: Si # 22 coordinates: [ 0.396295080000000, 0.274643900000000, 0.367475110000000 ] mass: 28.085500 - symbol: Si # 23 coordinates: [ 0.906414490000000, 0.725615890000000, 0.856981500000000 ] mass: 28.085500 - symbol: Si # 24 coordinates: [ 0.603704920000000, 0.774643900000000, 0.132524890000000 ] mass: 28.085500 - symbol: O # 25 coordinates: [ 0.188599850000000, 0.970835450000000, 0.628998550000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.299558840000000, 0.407060710000000, 0.939549590000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.700441160000000, 0.907060710000000, 0.560450410000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.934762660000000, 0.810283080000000, 0.742126150000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.811400150000000, 0.470835450000000, 0.871001450000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.934762660000000, 0.689716920000000, 0.242126150000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.826858090000000, 0.961412330000000, 0.915296780000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.398977060000000, 0.135823660000000, 0.258236520000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.299558840000000, 0.092939290000000, 0.439549590000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.059475130000000, 0.699272520000000, 0.923397010000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.811400150000000, 0.029164550000000, 0.371001450000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.826858090000000, 0.538587670000000, 0.415296780000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.940524870000000, 0.199272520000000, 0.576602990000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.675005930000000, 0.059650340000000, 0.126313100000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.065237340000000, 0.310283080000000, 0.757873850000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.601022940000000, 0.864176340000000, 0.741763480000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.447072240000000, 0.788216010000000, 0.072405320000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.059475130000000, 0.800727480000000, 0.423397010000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.552927760000000, 0.211783990000000, 0.927594680000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.700441160000000, 0.592939290000000, 0.060450410000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.324994070000000, 0.940349660000000, 0.873686900000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.601022940000000, 0.635823660000000, 0.241763480000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.173141910000000, 0.461412330000000, 0.584703220000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.552927760000000, 0.288216010000000, 0.427594680000000 ] mass: 15.999400 - symbol: O # 49 coordinates: [ 0.065237340000000, 0.189716920000000, 0.257873850000000 ] mass: 15.999400 - symbol: O # 50 coordinates: [ 0.675005930000000, 0.440349660000000, 0.626313100000000 ] mass: 15.999400 - symbol: O # 51 coordinates: [ 0.324994070000000, 0.559650340000000, 0.373686900000000 ] mass: 15.999400 - symbol: O # 52 coordinates: [ 0.188599850000000, 0.529164550000000, 0.128998550000000 ] mass: 15.999400 - symbol: O # 53 coordinates: [ 0.173141910000000, 0.038587670000000, 0.084703220000000 ] mass: 15.999400 - symbol: O # 54 coordinates: [ 0.398977060000000, 0.364176340000000, 0.758236520000000 ] mass: 15.999400 - symbol: O # 55 coordinates: [ 0.940524870000000, 0.300727480000000, 0.076602990000000 ] mass: 15.999400 - symbol: O # 56 coordinates: [ 0.447072240000000, 0.711783990000000, 0.572405320000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.106975101017342, 0.000000000000000, 0.004411410466966 ] # a* - [ 0.000000000000000, 0.189177001384182, 0.000000000000000 ] # b* - [ 0.000006498974845, 0.000000000000000, 0.075670965831093 ] # c*unit_cell: lattice: - [ 9.348002780000000, 0.000000000000000, -0.000802850000000 ] # a - [ 0.000000000000000, 5.286054820000000, 0.000000000000000 ] # b - [ -0.544963010000000, 0.000000000000000, 13.215154990000000 ] # c points: - symbol: Ca # 1 coordinates: [ 0.577084310000000, 0.741525000000000, 0.902126910000000 ] mass: 40.078000 reduced_to: 1 - symbol: Ca # 2 coordinates: [ 0.782227970000000, 0.324668940000000, 0.242291910000000 ] mass: 40.078000 reduced_to: 2 - symbol: Ca # 3 coordinates: [ 0.782227970000000, 0.175331060000000, 0.742291910000000 ] mass: 40.078000 reduced_to: 3 - symbol: Ca # 4 coordinates: [ 0.217772030000000, 0.675331060000000, 0.757708090000000 ] mass: 40.078000 reduced_to: 4 - symbol: Ca # 5 coordinates: [ 0.072084880000000, 0.230191030000000, 0.921586320000000 ] mass: 40.078000 reduced_to: 5 - symbol: Ca # 6 coordinates: [ 0.577084310000000, 0.758475000000000, 0.402126910000000 ] mass: 40.078000 reduced_to: 6 - symbol: Ca # 7 coordinates: [ 0.217772030000000, 0.824668940000000, 0.257708090000000 ] mass: 40.078000 reduced_to: 7 - symbol: Ca # 8 coordinates: [ 0.072084880000000, 0.269808970000000, 0.421586320000000 ] mass: 40.078000 reduced_to: 8 - symbol: Ca # 9 coordinates: [ 0.927915120000000, 0.769808970000000, 0.078413680000000 ] mass: 40.078000 reduced_to: 9 - symbol: Ca # 10 coordinates: [ 0.422915690000000, 0.241525000000000, 0.597873090000000 ] mass: 40.078000 reduced_to: 10 - symbol: Ca # 11 coordinates: [ 0.422915690000000, 0.258475000000000, 0.097873090000000 ] mass: 40.078000 reduced_to: 11 - symbol: Ca # 12 coordinates: [ 0.927915120000000, 0.730191030000000, 0.578413680000000 ] mass: 40.078000 reduced_to: 12 - symbol: Mg # 13 coordinates: [ 0.745656130000000, 0.259821270000000, 0.995474910000000 ] mass: 24.305000 reduced_to: 13 - symbol: Mg # 14 coordinates: [ 0.745656130000000, 0.240178730000000, 0.495474910000000 ] mass: 24.305000 reduced_to: 14 - symbol: Mg # 15 coordinates: [ 0.254343870000000, 0.759821270000000, 0.504525090000000 ] mass: 24.305000 reduced_to: 15 - symbol: Mg # 16 coordinates: [ 0.254343870000000, 0.740178730000000, 0.004525090000000 ] mass: 24.305000 reduced_to: 16 - symbol: Si # 17 coordinates: [ 0.093585510000000, 0.225615890000000, 0.643018500000000 ] mass: 28.085500 reduced_to: 17 - symbol: Si # 18 coordinates: [ 0.396295080000000, 0.225356100000000, 0.867475110000000 ] mass: 28.085500 reduced_to: 18 - symbol: Si # 19 coordinates: [ 0.906414490000000, 0.774384110000000, 0.356981500000000 ] mass: 28.085500 reduced_to: 19 - symbol: Si # 20 coordinates: [ 0.093585510000000, 0.274384110000000, 0.143018500000000 ] mass: 28.085500 reduced_to: 20 - symbol: Si # 21 coordinates: [ 0.603704920000000, 0.725356100000000, 0.632524890000000 ] mass: 28.085500 reduced_to: 21 - symbol: Si # 22 coordinates: [ 0.396295080000000, 0.274643900000000, 0.367475110000000 ] mass: 28.085500 reduced_to: 22 - symbol: Si # 23 coordinates: [ 0.906414490000000, 0.725615890000000, 0.856981500000000 ] mass: 28.085500 reduced_to: 23 - symbol: Si # 24 coordinates: [ 0.603704920000000, 0.774643900000000, 0.132524890000000 ] mass: 28.085500 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.188599850000000, 0.970835450000000, 0.628998550000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.299558840000000, 0.407060710000000, 0.939549590000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.700441160000000, 0.907060710000000, 0.560450410000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.934762660000000, 0.810283080000000, 0.742126150000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.811400150000000, 0.470835450000000, 0.871001450000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.934762660000000, 0.689716920000000, 0.242126150000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.826858090000000, 0.961412330000000, 0.915296780000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.398977060000000, 0.135823660000000, 0.258236520000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.299558840000000, 0.092939290000000, 0.439549590000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.059475130000000, 0.699272520000000, 0.923397010000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.811400150000000, 0.029164550000000, 0.371001450000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.826858090000000, 0.538587670000000, 0.415296780000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.940524870000000, 0.199272520000000, 0.576602990000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.675005930000000, 0.059650340000000, 0.126313100000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.065237340000000, 0.310283080000000, 0.757873850000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.601022940000000, 0.864176340000000, 0.741763480000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.447072240000000, 0.788216010000000, 0.072405320000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.059475130000000, 0.800727480000000, 0.423397010000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.552927760000000, 0.211783990000000, 0.927594680000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.700441160000000, 0.592939290000000, 0.060450410000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.324994070000000, 0.940349660000000, 0.873686900000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.601022940000000, 0.635823660000000, 0.241763480000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.173141910000000, 0.461412330000000, 0.584703220000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.552927760000000, 0.288216010000000, 0.427594680000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.065237340000000, 0.189716920000000, 0.257873850000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.675005930000000, 0.440349660000000, 0.626313100000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.324994070000000, 0.559650340000000, 0.373686900000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.188599850000000, 0.529164550000000, 0.128998550000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.173141910000000, 0.038587670000000, 0.084703220000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.398977060000000, 0.364176340000000, 0.758236520000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.940524870000000, 0.300727480000000, 0.076602990000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.447072240000000, 0.711783990000000, 0.572405320000000 ] mass: 15.999400 reduced_to: 56supercell: lattice: - [ 9.348002780000000, 0.000000000000000, -0.000802850000000 ] # a - [ 0.000000000000000, 10.572109640000001, 0.000000000000000 ] # b - [ -0.544963010000000, 0.000000000000000, 13.215154990000000 ] # c points: - symbol: Ca # 1 coordinates: [ 0.577084310000000, 0.370762500000000, 0.902126910000000 ] mass: 40.078000 reduced_to: 1 - symbol: Ca # 2 coordinates: [ 0.577084310000000, 0.870762500000000, 0.902126910000000 ] mass: 40.078000 reduced_to: 1 - symbol: Ca # 3 coordinates: [ 0.782227970000000, 0.162334470000000, 0.242291910000000 ] mass: 40.078000 reduced_to: 3 - symbol: Ca # 4 coordinates: [ 0.782227970000000, 0.662334470000000, 0.242291910000000 ] mass: 40.078000 reduced_to: 3 - symbol: Ca # 5 coordinates: [ 0.782227970000000, 0.087665530000000, 0.742291910000000 ] mass: 40.078000 reduced_to: 5 - symbol: Ca # 6 coordinates: [ 0.782227970000000, 0.587665530000000, 0.742291910000000 ] mass: 40.078000 reduced_to: 5 - symbol: Ca # 7 coordinates: [ 0.217772030000000, 0.337665530000000, 0.757708090000000 ] mass: 40.078000 reduced_to: 7 - symbol: Ca # 8 coordinates: [ 0.217772030000000, 0.837665530000000, 0.757708090000000 ] mass: 40.078000 reduced_to: 7 - symbol: Ca # 9 coordinates: [ 0.072084880000000, 0.115095515000000, 0.921586320000000 ] mass: 40.078000 reduced_to: 9 - symbol: Ca # 10 coordinates: [ 0.072084880000000, 0.615095515000000, 0.921586320000000 ] mass: 40.078000 reduced_to: 9 - symbol: Ca # 11 coordinates: [ 0.577084310000000, 0.379237500000000, 0.402126910000000 ] mass: 40.078000 reduced_to: 11 - symbol: Ca # 12 coordinates: [ 0.577084310000000, 0.879237500000000, 0.402126910000000 ] mass: 40.078000 reduced_to: 11 - symbol: Ca # 13 coordinates: [ 0.217772030000000, 0.412334470000000, 0.257708090000000 ] mass: 40.078000 reduced_to: 13 - symbol: Ca # 14 coordinates: [ 0.217772030000000, 0.912334470000000, 0.257708090000000 ] mass: 40.078000 reduced_to: 13 - symbol: Ca # 15 coordinates: [ 0.072084880000000, 0.134904485000000, 0.421586320000000 ] mass: 40.078000 reduced_to: 15 - symbol: Ca # 16 coordinates: [ 0.072084880000000, 0.634904485000000, 0.421586320000000 ] mass: 40.078000 reduced_to: 15 - symbol: Ca # 17 coordinates: [ 0.927915120000000, 0.384904485000000, 0.078413680000000 ] mass: 40.078000 reduced_to: 17 - symbol: Ca # 18 coordinates: [ 0.927915120000000, 0.884904485000000, 0.078413680000000 ] mass: 40.078000 reduced_to: 17 - symbol: Ca # 19 coordinates: [ 0.422915690000000, 0.120762500000000, 0.597873090000000 ] mass: 40.078000 reduced_to: 19 - symbol: Ca # 20 coordinates: [ 0.422915690000000, 0.620762500000000, 0.597873090000000 ] mass: 40.078000 reduced_to: 19 - symbol: Ca # 21 coordinates: [ 0.422915690000000, 0.129237500000000, 0.097873090000000 ] mass: 40.078000 reduced_to: 21 - symbol: Ca # 22 coordinates: [ 0.422915690000000, 0.629237500000000, 0.097873090000000 ] mass: 40.078000 reduced_to: 21 - symbol: Ca # 23 coordinates: [ 0.927915120000000, 0.365095515000000, 0.578413680000000 ] mass: 40.078000 reduced_to: 23 - symbol: Ca # 24 coordinates: [ 0.927915120000000, 0.865095515000000, 0.578413680000000 ] mass: 40.078000 reduced_to: 23 - symbol: Mg # 25 coordinates: [ 0.745656130000000, 0.129910635000000, 0.995474910000000 ] mass: 24.305000 reduced_to: 25 - symbol: Mg # 26 coordinates: [ 0.745656130000000, 0.629910635000000, 0.995474910000000 ] mass: 24.305000 reduced_to: 25 - symbol: Mg # 27 coordinates: [ 0.745656130000000, 0.120089365000000, 0.495474910000000 ] mass: 24.305000 reduced_to: 27 - symbol: Mg # 28 coordinates: [ 0.745656130000000, 0.620089365000000, 0.495474910000000 ] mass: 24.305000 reduced_to: 27 - symbol: Mg # 29 coordinates: [ 0.254343870000000, 0.379910635000000, 0.504525090000000 ] mass: 24.305000 reduced_to: 29 - symbol: Mg # 30 coordinates: [ 0.254343870000000, 0.879910635000000, 0.504525090000000 ] mass: 24.305000 reduced_to: 29 - symbol: Mg # 31 coordinates: [ 0.254343870000000, 0.370089365000000, 0.004525090000000 ] mass: 24.305000 reduced_to: 31 - symbol: Mg # 32 coordinates: [ 0.254343870000000, 0.870089365000000, 0.004525090000000 ] mass: 24.305000 reduced_to: 31 - symbol: Si # 33 coordinates: [ 0.093585510000000, 0.112807945000000, 0.643018500000000 ] mass: 28.085500 reduced_to: 33 - symbol: Si # 34 coordinates: [ 0.093585510000000, 0.612807945000000, 0.643018500000000 ] mass: 28.085500 reduced_to: 33 - symbol: Si # 35 coordinates: [ 0.396295080000000, 0.112678050000000, 0.867475110000000 ] mass: 28.085500 reduced_to: 35 - symbol: Si # 36 coordinates: [ 0.396295080000000, 0.612678050000000, 0.867475110000000 ] mass: 28.085500 reduced_to: 35 - symbol: Si # 37 coordinates: [ 0.906414490000000, 0.387192055000000, 0.356981500000000 ] mass: 28.085500 reduced_to: 37 - symbol: Si # 38 coordinates: [ 0.906414490000000, 0.887192055000000, 0.356981500000000 ] mass: 28.085500 reduced_to: 37 - symbol: Si # 39 coordinates: [ 0.093585510000000, 0.137192055000000, 0.143018500000000 ] mass: 28.085500 reduced_to: 39 - symbol: Si # 40 coordinates: [ 0.093585510000000, 0.637192055000000, 0.143018500000000 ] mass: 28.085500 reduced_to: 39 - symbol: Si # 41 coordinates: [ 0.603704920000000, 0.362678050000000, 0.632524890000000 ] mass: 28.085500 reduced_to: 41 - symbol: Si # 42 coordinates: [ 0.603704920000000, 0.862678050000000, 0.632524890000000 ] mass: 28.085500 reduced_to: 41 - symbol: Si # 43 coordinates: [ 0.396295080000000, 0.137321950000000, 0.367475110000000 ] mass: 28.085500 reduced_to: 43 - symbol: Si # 44 coordinates: [ 0.396295080000000, 0.637321950000000, 0.367475110000000 ] mass: 28.085500 reduced_to: 43 - symbol: Si # 45 coordinates: [ 0.906414490000000, 0.362807945000000, 0.856981500000000 ] mass: 28.085500 reduced_to: 45 - symbol: Si # 46 coordinates: [ 0.906414490000000, 0.862807945000000, 0.856981500000000 ] mass: 28.085500 reduced_to: 45 - symbol: Si # 47 coordinates: [ 0.603704920000000, 0.387321950000000, 0.132524890000000 ] mass: 28.085500 reduced_to: 47 - symbol: Si # 48 coordinates: [ 0.603704920000000, 0.887321950000000, 0.132524890000000 ] mass: 28.085500 reduced_to: 47 - symbol: O # 49 coordinates: [ 0.188599850000000, 0.485417725000000, 0.628998550000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.188599850000000, 0.985417725000000, 0.628998550000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.299558840000000, 0.203530355000000, 0.939549590000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.299558840000000, 0.703530355000000, 0.939549590000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 53 coordinates: [ 0.700441160000000, 0.453530355000000, 0.560450410000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.700441160000000, 0.953530355000000, 0.560450410000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.934762660000000, 0.405141540000000, 0.742126150000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.934762660000000, 0.905141540000000, 0.742126150000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.811400150000000, 0.235417725000000, 0.871001450000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.811400150000000, 0.735417725000000, 0.871001450000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.934762660000000, 0.344858460000000, 0.242126150000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.934762660000000, 0.844858460000000, 0.242126150000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 61 coordinates: [ 0.826858090000000, 0.480706165000000, 0.915296780000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.826858090000000, 0.980706165000000, 0.915296780000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.398977060000000, 0.067911830000000, 0.258236520000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.398977060000000, 0.567911830000000, 0.258236520000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 65 coordinates: [ 0.299558840000000, 0.046469645000000, 0.439549590000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.299558840000000, 0.546469645000000, 0.439549590000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.059475130000000, 0.349636260000000, 0.923397010000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.059475130000000, 0.849636260000000, 0.923397010000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.811400150000000, 0.014582275000000, 0.371001450000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.811400150000000, 0.514582275000000, 0.371001450000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.826858090000000, 0.269293835000000, 0.415296780000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.826858090000000, 0.769293835000000, 0.415296780000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 73 coordinates: [ 0.940524870000000, 0.099636260000000, 0.576602990000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.940524870000000, 0.599636260000000, 0.576602990000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.675005930000000, 0.029825170000000, 0.126313100000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.675005930000000, 0.529825170000000, 0.126313100000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 77 coordinates: [ 0.065237340000000, 0.155141540000000, 0.757873850000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.065237340000000, 0.655141540000000, 0.757873850000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.601022940000000, 0.432088170000000, 0.741763480000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.601022940000000, 0.932088170000000, 0.741763480000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 81 coordinates: [ 0.447072240000000, 0.394108005000000, 0.072405320000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.447072240000000, 0.894108005000000, 0.072405320000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.059475130000000, 0.400363740000000, 0.423397010000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.059475130000000, 0.900363740000000, 0.423397010000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 85 coordinates: [ 0.552927760000000, 0.105891995000000, 0.927594680000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.552927760000000, 0.605891995000000, 0.927594680000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.700441160000000, 0.296469645000000, 0.060450410000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.700441160000000, 0.796469645000000, 0.060450410000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 89 coordinates: [ 0.324994070000000, 0.470174830000000, 0.873686900000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.324994070000000, 0.970174830000000, 0.873686900000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.601022940000000, 0.317911830000000, 0.241763480000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.601022940000000, 0.817911830000000, 0.241763480000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 93 coordinates: [ 0.173141910000000, 0.230706165000000, 0.584703220000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.173141910000000, 0.730706165000000, 0.584703220000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.552927760000000, 0.144108005000000, 0.427594680000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.552927760000000, 0.644108005000000, 0.427594680000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 97 coordinates: [ 0.065237340000000, 0.094858460000000, 0.257873850000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.065237340000000, 0.594858460000000, 0.257873850000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.675005930000000, 0.220174830000000, 0.626313100000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 100 coordinates: [ 0.675005930000000, 0.720174830000000, 0.626313100000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 101 coordinates: [ 0.324994070000000, 0.279825170000000, 0.373686900000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.324994070000000, 0.779825170000000, 0.373686900000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 103 coordinates: [ 0.188599850000000, 0.264582275000000, 0.128998550000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 104 coordinates: [ 0.188599850000000, 0.764582275000000, 0.128998550000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 105 coordinates: [ 0.173141910000000, 0.019293835000000, 0.084703220000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.173141910000000, 0.519293835000000, 0.084703220000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 107 coordinates: [ 0.398977060000000, 0.182088170000000, 0.758236520000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 108 coordinates: [ 0.398977060000000, 0.682088170000000, 0.758236520000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 109 coordinates: [ 0.940524870000000, 0.150363740000000, 0.076602990000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.940524870000000, 0.650363740000000, 0.076602990000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 111 coordinates: [ 0.447072240000000, 0.355891995000000, 0.572405320000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 112 coordinates: [ 0.447072240000000, 0.855891995000000, 0.572405320000000 ] mass: 15.999400 reduced_to: 111displacements:- atom: 1 displacement: [ 0.0099999999631191, 0.0000000000000000, -0.0000008588465536 ] forces: - [ -0.0471900600000000, 0.0051507000000000, 0.0034096000000000 ] - [ -0.0020488600000000, -0.0004264100000000, -0.0002910300000000 ] - [ 0.0001368200000000, -0.0006238800000000, 0.0010706700000000 ] - [ 0.0001092400000000, 0.0004972900000000, 0.0003498000000000 ] - [ -0.0003749300000000, -0.0044524100000000, -0.0034620500000000 ] - [ 0.0004988400000000, 0.0051293700000000, -0.0052669800000000 ] - [ 0.0091483000000000, 0.0019635900000000, 0.0063621200000000 ] - [ 0.0012538200000000, -0.0002663900000000, 0.0008716300000000 ] - [ 0.0061446800000000, -0.0009732800000000, 0.0004684200000000 ] - [ 0.0069332500000000, 0.0009724700000000, -0.0007898400000000 ] - [ -0.0005426600000000, -0.0000294400000000, -0.0006822300000000 ] - [ -0.0004326900000000, -0.0000169500000000, -0.0003964500000000 ] - [ 0.0007629100000000, 0.0000228000000000, -0.0008032700000000 ] - [ 0.0000766500000000, 0.0000678400000000, -0.0001368400000000 ] - [ 0.0004506100000000, -0.0001597000000000, -0.0002031400000000 ] - [ 0.0004080400000000, -0.0000025900000000, -0.0002764700000000 ] - [ 0.0049085300000000, -0.0002721800000000, 0.0064800800000000 ] - [ 0.0003016400000000, -0.0001097900000000, 0.0007729900000000 ] - [ -0.0007241000000000, 0.0002319800000000, 0.0024556600000000 ] - [ -0.0007198500000000, 0.0004146800000000, 0.0013716700000000 ] - [ -0.0010496700000000, 0.0025923700000000, -0.0029911200000000 ] - [ -0.0001559100000000, -0.0024816600000000, -0.0024445600000000 ] - [ 0.0007688400000000, -0.0001301300000000, -0.0013927000000000 ] - [ 0.0002644300000000, 0.0000071800000000, 0.0001247900000000 ] - [ -0.0005277200000000, -0.0093522700000000, 0.0049192400000000 ] - [ -0.0025733200000000, 0.0083450300000000, 0.0032433900000000 ] - [ 0.0001615500000000, -0.0003974400000000, -0.0006105700000000 ] - [ 0.0001034000000000, 0.0001830700000000, -0.0004870800000000 ] - [ -0.0002442700000000, 0.0001238000000000, 0.0005068500000000 ] - [ -0.0001103700000000, 0.0001534400000000, 0.0003719500000000 ] - [ 0.0134250700000000, 0.0003365000000000, -0.0071837300000000 ] - [ 0.0007483200000000, -0.0003275700000000, -0.0006273400000000 ] - [ 0.0015992300000000, -0.0001814800000000, 0.0003119600000000 ] - [ 0.0017979400000000, -0.0001056900000000, 0.0006638300000000 ] - [ -0.0019649000000000, 0.0141443300000000, 0.0000348800000000 ] - [ -0.0016122800000000, -0.0214949500000000, 0.0010583400000000 ] - [ 0.0001897700000000, 0.0004172900000000, -0.0000960300000000 ] - [ 0.0002916700000000, 0.0001300700000000, -0.0005014200000000 ] - [ 0.0026542300000000, 0.0003078500000000, 0.0007377600000000 ] - [ 0.0021496900000000, -0.0005303600000000, 0.0007017700000000 ] - [ -0.0016520400000000, -0.0003693800000000, -0.0019833400000000 ] - [ -0.0008321500000000, 0.0005611100000000, 0.0012407800000000 ] - [ -0.0004686400000000, -0.0006027400000000, -0.0010862300000000 ] - [ -0.0003990900000000, -0.0005702000000000, -0.0013350600000000 ] - [ 0.0298869000000000, -0.0012945800000000, -0.0084378000000000 ] - [ 0.0019640400000000, -0.0001777800000000, -0.0009036700000000 ] - [ -0.0148770900000000, 0.0025655800000000, 0.0019857600000000 ] - [ -0.0010290200000000, -0.0006667800000000, 0.0003965000000000 ] - [ -0.0010954000000000, 0.0004221400000000, -0.0009576500000000 ] - [ -0.0006166900000000, 0.0000805400000000, -0.0002521100000000 ] - [ -0.0061151600000000, -0.0078341800000000, 0.0011523500000000 ] - [ -0.0007961900000000, 0.0036919200000000, 0.0017674100000000 ] - [ -0.0000834800000000, -0.0002544700000000, 0.0004124800000000 ] - [ 0.0000493700000000, 0.0000372800000000, -0.0000598700000000 ] - [ -0.0033929700000000, -0.0004392500000000, 0.0045642600000000 ] - [ -0.0001905200000000, 0.0003885200000000, -0.0001632300000000 ] - [ -0.0067288600000000, 0.0071659600000000, 0.0017980600000000 ] - [ 0.0001699700000000, -0.0020415900000000, 0.0002211900000000 ] - [ 0.0002558000000000, -0.0000010500000000, -0.0018296600000000 ] - [ 0.0004741600000000, -0.0001154600000000, -0.0007131600000000 ] - [ -0.0065489900000000, -0.0042144100000000, -0.0006174700000000 ] - [ 0.0000933900000000, 0.0023613600000000, -0.0001921100000000 ] - [ 0.0002793200000000, 0.0002055100000000, 0.0014215100000000 ] - [ 0.0003185700000000, 0.0005905400000000, 0.0017189900000000 ] - [ 0.0001450900000000, 0.0001333700000000, 0.0000427400000000 ] - [ 0.0001908900000000, 0.0001088700000000, 0.0002380700000000 ] - [ -0.0094132200000000, 0.0000853800000000, -0.0009037500000000 ] - [ -0.0010616800000000, -0.0003516200000000, 0.0001972000000000 ] - [ -0.0001848800000000, 0.0001527100000000, -0.0000766600000000 ] - [ -0.0001597200000000, -0.0001364600000000, -0.0000586400000000 ] - [ 0.0002795800000000, -0.0003463500000000, 0.0002441900000000 ] - [ 0.0002091900000000, -0.0004939100000000, 0.0001801000000000 ] - [ -0.0011470400000000, -0.0002243000000000, -0.0001770000000000 ] - [ -0.0012061300000000, -0.0007311400000000, -0.0000902100000000 ] - [ 0.0010350600000000, 0.0006294100000000, -0.0002825400000000 ] - [ 0.0037041900000000, -0.0014029900000000, -0.0020563500000000 ] - [ -0.0035945400000000, 0.0001778700000000, 0.0012317000000000 ] - [ -0.0025108700000000, -0.0001996200000000, 0.0004429800000000 ] - [ 0.0066285900000000, 0.0007257600000000, -0.0051417200000000 ] - [ 0.0010457000000000, -0.0000413100000000, -0.0011038000000000 ] - [ 0.0070229200000000, 0.0000534500000000, 0.0059520300000000 ] - [ 0.0004842700000000, 0.0005585700000000, 0.0005058900000000 ] - [ -0.0000254700000000, 0.0002734600000000, 0.0002412000000000 ] - [ 0.0002045000000000, 0.0003696600000000, 0.0003021700000000 ] - [ 0.0070755700000000, -0.0015272100000000, 0.0011279500000000 ] - [ 0.0096086600000000, 0.0026744800000000, 0.0017762900000000 ] - [ 0.0092848900000000, -0.0018618300000000, -0.0008488800000000 ] - [ 0.0006689200000000, 0.0001617200000000, 0.0000123500000000 ] - [ -0.0044890200000000, 0.0068034900000000, -0.0014613600000000 ] - [ 0.0000434500000000, -0.0018069000000000, 0.0002107100000000 ] - [ 0.0024674000000000, -0.0005734800000000, -0.0012046000000000 ] - [ 0.0001166600000000, 0.0002814400000000, -0.0006751600000000 ] - [ -0.0010535100000000, 0.0002707500000000, -0.0007068800000000 ] - [ -0.0006643500000000, 0.0004309600000000, -0.0003752100000000 ] - [ 0.0007158800000000, 0.0006714200000000, 0.0002889800000000 ] - [ 0.0006430500000000, 0.0004650200000000, 0.0003773900000000 ] - [ -0.0012360100000000, 0.0000600500000000, 0.0004331500000000 ] - [ -0.0012007700000000, 0.0001085900000000, 0.0006297400000000 ] - [ 0.0011161900000000, 0.0008094000000000, 0.0011858000000000 ] - [ 0.0008744600000000, -0.0004409800000000, 0.0002259600000000 ] - [ -0.0000353600000000, -0.0003151500000000, 0.0003318500000000 ] - [ -0.0001157800000000, -0.0002856700000000, 0.0002477300000000 ] - [ -0.0019948300000000, -0.0004277700000000, 0.0008661600000000 ] - [ -0.0007462200000000, -0.0000267100000000, 0.0003241500000000 ] - [ -0.0015963900000000, -0.0005882800000000, 0.0004751800000000 ] - [ -0.0027359800000000, 0.0002164600000000, 0.0008110700000000 ] - [ 0.0001041400000000, -0.0054678700000000, -0.0039178900000000 ] - [ 0.0012240800000000, 0.0023936100000000, -0.0016985600000000 ] - [ -0.0026014800000000, 0.0014291500000000, -0.0020214700000000 ] - [ -0.0021236100000000, -0.0007576400000000, -0.0019824800000000 ] - [ 0.0011605500000000, 0.0001526600000000, 0.0004412100000000 ] - [ 0.0001619000000000, -0.0005361200000000, -0.0003532100000000 ]- atom: 1 displacement: [ -0.0099999999631191, 0.0000000000000000, 0.0000008588465536 ] forces: - [ 0.0465696900000000, -0.0053133300000000, -0.0042038700000000 ] - [ 0.0017175600000000, 0.0004624700000000, -0.0003263900000000 ] - [ 0.0002017200000000, 0.0007223100000000, -0.0011831100000000 ] - [ 0.0002317600000000, -0.0004089900000000, -0.0004543400000000 ] - [ 0.0007028700000000, 0.0043504600000000, 0.0033392100000000 ] - [ -0.0001921600000000, -0.0052050200000000, 0.0051229500000000 ] - [ -0.0095507000000000, -0.0020746700000000, -0.0063325000000000 ] - [ -0.0015979300000000, 0.0001753100000000, -0.0007686200000000 ] - [ -0.0060081800000000, 0.0010649800000000, -0.0011296100000000 ] - [ -0.0067824000000000, -0.0008451600000000, 0.0001285400000000 ] - [ 0.0002158200000000, -0.0000053600000000, 0.0000653800000000 ] - [ 0.0001056300000000, -0.0000195600000000, -0.0002251200000000 ] - [ -0.0011028000000000, 0.0000685200000000, 0.0009125200000000 ] - [ -0.0004206200000000, 0.0000219300000000, 0.0002452700000000 ] - [ -0.0003066700000000, 0.0000499600000000, -0.0004577000000000 ] - [ -0.0002638200000000, -0.0001073900000000, -0.0003841200000000 ] - [ -0.0050392500000000, 0.0001548900000000, -0.0057571200000000 ] - [ -0.0004506900000000, -0.0000009400000000, -0.0001076800000000 ] - [ 0.0010578300000000, -0.0001893200000000, -0.0018322200000000 ] - [ 0.0010619700000000, -0.0003899900000000, -0.0007451900000000 ] - [ 0.0014012000000000, -0.0026331700000000, 0.0036209000000000 ] - [ 0.0004998000000000, 0.0024472300000000, 0.0030665500000000 ] - [ -0.0009243600000000, 0.0002400100000000, 0.0020374900000000 ] - [ -0.0004111500000000, 0.0001019600000000, 0.0005321300000000 ] - [ 0.0008943200000000, 0.0095186200000000, -0.0053055200000000 ] - [ 0.0029465300000000, -0.0081171000000000, -0.0036467400000000 ] - [ 0.0002550600000000, 0.0001978600000000, 0.0001947900000000 ] - [ 0.0003090600000000, -0.0003936000000000, 0.0000717200000000 ] - [ -0.0001644200000000, 0.0000782800000000, -0.0000862300000000 ] - [ -0.0003071500000000, 0.0000511400000000, 0.0000459600000000 ] - [ -0.0139837600000000, -0.0005268200000000, 0.0077254200000000 ] - [ -0.0011604500000000, 0.0001291600000000, 0.0010462700000000 ] - [ -0.0017967900000000, -0.0001092800000000, 0.0007998200000000 ] - [ -0.0019998400000000, -0.0001710000000000, 0.0004530400000000 ] - [ 0.0016411700000000, -0.0134836600000000, -0.0017414300000000 ] - [ 0.0012834800000000, 0.0223924000000000, -0.0027333300000000 ] - [ 0.0000059000000000, -0.0001317000000000, -0.0010282700000000 ] - [ -0.0000931100000000, 0.0001552300000000, -0.0006214500000000 ] - [ -0.0028586400000000, -0.0000269000000000, 0.0003971600000000 ] - [ -0.0023493500000000, 0.0008209400000000, 0.0004320000000000 ] - [ 0.0020604400000000, 0.0011529200000000, 0.0037390100000000 ] - [ 0.0012598300000000, 0.0001763700000000, 0.0004284500000000 ] - [ 0.0000462700000000, -0.0001347400000000, -0.0005822600000000 ] - [ -0.0000237100000000, -0.0001722200000000, -0.0003348500000000 ] - [ -0.0292917200000000, 0.0009843700000000, 0.0072027800000000 ] - [ -0.0017611100000000, -0.0001078000000000, -0.0002247400000000 ] - [ 0.0153131500000000, -0.0033205700000000, -0.0004284600000000 ] - [ 0.0014564400000000, -0.0000725800000000, 0.0012723200000000 ] - [ 0.0014003600000000, -0.0004131900000000, 0.0009874700000000 ] - [ 0.0009217900000000, -0.0000645700000000, 0.0002734200000000 ] - [ 0.0066491600000000, 0.0076573900000000, -0.0007822900000000 ] - [ 0.0013031900000000, -0.0039816400000000, -0.0013948400000000 ] - [ -0.0004172400000000, -0.0000153700000000, -0.0008203300000000 ] - [ -0.0005707600000000, -0.0003090700000000, -0.0003164500000000 ] - [ 0.0045909000000000, 0.0004937500000000, -0.0056258800000000 ] - [ 0.0013985900000000, -0.0003255400000000, -0.0009368500000000 ] - [ 0.0066562100000000, -0.0071768300000000, -0.0018306200000000 ] - [ -0.0004703600000000, 0.0020460000000000, -0.0002347900000000 ] - [ 0.0009580300000000, -0.0000589900000000, 0.0007209700000000 ] - [ 0.0007365400000000, 0.0000534900000000, -0.0003940900000000 ] - [ 0.0073197700000000, 0.0051663700000000, 0.0009118500000000 ] - [ 0.0003467900000000, -0.0014840000000000, 0.0004849500000000 ] - [ 0.0002264500000000, 0.0003695800000000, 0.0001606000000000 ] - [ 0.0001861300000000, -0.0000134700000000, -0.0001329100000000 ] - [ 0.0003761000000000, 0.0001378000000000, 0.0003343900000000 ] - [ 0.0003283300000000, 0.0001635600000000, 0.0001389700000000 ] - [ 0.0103114500000000, -0.0008121800000000, 0.0016534200000000 ] - [ 0.0019660400000000, -0.0003754500000000, 0.0005540400000000 ] - [ -0.0001212300000000, -0.0001689200000000, 0.0000590600000000 ] - [ -0.0001447200000000, 0.0001228300000000, 0.0000376300000000 ] - [ 0.0001587800000000, -0.0005208600000000, 0.0000500700000000 ] - [ 0.0002262300000000, -0.0003719100000000, 0.0001153100000000 ] - [ 0.0002472500000000, -0.0005030800000000, -0.0005682700000000 ] - [ 0.0003075600000000, 0.0000024100000000, -0.0006555900000000 ] - [ -0.0008171900000000, -0.0013138200000000, -0.0000001500000000 ] - [ -0.0034751200000000, 0.0007310100000000, 0.0017759000000000 ] - [ 0.0023860200000000, -0.0001069100000000, -0.0001170200000000 ] - [ 0.0013018300000000, 0.0002551500000000, 0.0006652700000000 ] - [ -0.0071784700000000, -0.0013107900000000, 0.0036015700000000 ] - [ -0.0015503600000000, -0.0005336400000000, -0.0004828700000000 ] - [ -0.0077448000000000, 0.0009824500000000, -0.0062139800000000 ] - [ -0.0010874600000000, 0.0004549000000000, -0.0008621100000000 ] - [ 0.0009311000000000, 0.0004541200000000, 0.0005111100000000 ] - [ 0.0007003100000000, 0.0003581900000000, 0.0004490800000000 ] - [ -0.0065043300000000, 0.0004714700000000, -0.0007735300000000 ] - [ -0.0090554900000000, -0.0036862600000000, -0.0014237700000000 ] - [ -0.0097016400000000, 0.0020669100000000, 0.0006460900000000 ] - [ -0.0011853700000000, 0.0001109600000000, -0.0003879000000000 ] - [ 0.0038892600000000, -0.0060011100000000, 0.0017130400000000 ] - [ -0.0002766900000000, 0.0024972100000000, 0.0000804100000000 ] - [ -0.0029816900000000, 0.0011486500000000, -0.0003723300000000 ] - [ -0.0006245500000000, 0.0002937300000000, -0.0009083100000000 ] - [ 0.0006158500000000, 0.0005974300000000, 0.0004187700000000 ] - [ 0.0002282900000000, 0.0004338900000000, 0.0000832800000000 ] - [ -0.0001196000000000, 0.0003391300000000, 0.0000662900000000 ] - [ -0.0000457100000000, 0.0005504900000000, -0.0000220200000000 ] - [ 0.0000297600000000, -0.0001201000000000, 0.0006644400000000 ] - [ -0.0000064100000000, -0.0001706900000000, 0.0004687100000000 ] - [ -0.0008845300000000, -0.0001525400000000, -0.0014818900000000 ] - [ -0.0006547700000000, 0.0011259000000000, -0.0005114800000000 ] - [ -0.0001842600000000, -0.0003668200000000, -0.0000482000000000 ] - [ -0.0001024000000000, -0.0003922900000000, 0.0000377900000000 ] - [ 0.0023032400000000, 0.0004149400000000, -0.0008603000000000 ] - [ 0.0010512500000000, 0.0000103500000000, -0.0003082700000000 ] - [ 0.0011636700000000, -0.0002742700000000, -0.0007769100000000 ] - [ 0.0023032100000000, -0.0010914500000000, -0.0011202400000000 ] - [ 0.0003493800000000, 0.0049026000000000, 0.0055199700000000 ] - [ -0.0007394800000000, -0.0029804300000000, 0.0032870200000000 ] - [ 0.0017013200000000, -0.0006983300000000, 0.0012571600000000 ] - [ 0.0012169900000000, 0.0014773500000000, 0.0012212100000000 ] - [ -0.0017773500000000, -0.0011761900000000, -0.0008203200000000 ] - [ -0.0007619000000000, -0.0004757300000000, -0.0000035300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0050988700000000, -0.0461151300000000, 0.0175279600000000 ] - [ -0.0006178700000000, 0.0093661100000000, -0.0005320600000000 ] - [ -0.0002166500000000, 0.0002613800000000, -0.0016612800000000 ] - [ 0.0004672200000000, 0.0007655300000000, 0.0008521700000000 ] - [ -0.0022017600000000, 0.0033386000000000, 0.0039692500000000 ] - [ 0.0051306700000000, 0.0030092000000000, -0.0053774800000000 ] - [ 0.0005839600000000, -0.0060486800000000, -0.0002536300000000 ] - [ -0.0006161100000000, 0.0033891700000000, 0.0000742800000000 ] - [ 0.0005229300000000, 0.0010346200000000, -0.0006787600000000 ] - [ -0.0008859600000000, 0.0009522100000000, 0.0002032100000000 ] - [ -0.0001612300000000, -0.0007494700000000, -0.0008905500000000 ] - [ -0.0001748200000000, 0.0005671500000000, -0.0004256100000000 ] - [ -0.0002809200000000, -0.0009406100000000, 0.0000323200000000 ] - [ -0.0000747900000000, 0.0010156400000000, -0.0000824700000000 ] - [ 0.0001442400000000, -0.0001212800000000, -0.0002930400000000 ] - [ 0.0000045900000000, 0.0000571800000000, -0.0005142100000000 ] - [ -0.0011817600000000, -0.0036260700000000, 0.0011942000000000 ] - [ 0.0000185500000000, 0.0018217100000000, 0.0001447200000000 ] - [ -0.0002282400000000, 0.0003975000000000, 0.0034598500000000 ] - [ -0.0000352200000000, 0.0003858300000000, -0.0022123200000000 ] - [ 0.0027755900000000, 0.0017971200000000, -0.0058579700000000 ] - [ -0.0023025300000000, 0.0010371800000000, 0.0062644000000000 ] - [ 0.0002344300000000, -0.0010210200000000, 0.0001947100000000 ] - [ -0.0000064500000000, 0.0009378800000000, 0.0003151700000000 ] - [ -0.0093431100000000, 0.0097094000000000, -0.0080432400000000 ] - [ 0.0089965200000000, 0.0082630300000000, 0.0061625400000000 ] - [ 0.0002398700000000, -0.0000730100000000, -0.0000481500000000 ] - [ 0.0003418500000000, 0.0001348100000000, -0.0007030400000000 ] - [ -0.0004551000000000, -0.0006613300000000, 0.0000237700000000 ] - [ -0.0002938200000000, 0.0008822500000000, 0.0002304200000000 ] - [ -0.0003234900000000, -0.0059830300000000, 0.0012796000000000 ] - [ -0.0000169600000000, 0.0031194800000000, 0.0001940600000000 ] - [ 0.0005602500000000, 0.0002608600000000, 0.0022989900000000 ] - [ -0.0004000200000000, -0.0002511600000000, -0.0007086400000000 ] - [ 0.0165725600000000, 0.0146007500000000, 0.0044226100000000 ] - [ -0.0228148000000000, 0.0174972700000000, -0.0086378000000000 ] - [ 0.0001836200000000, -0.0006986000000000, -0.0010289100000000 ] - [ 0.0001101500000000, 0.0008821900000000, -0.0005423500000000 ] - [ -0.0005762600000000, 0.0000137200000000, -0.0007360500000000 ] - [ 0.0001983600000000, 0.0004278400000000, 0.0015942400000000 ] - [ 0.0002571400000000, -0.0050071800000000, -0.0027852900000000 ] - [ 0.0002534500000000, 0.0027847600000000, 0.0017290400000000 ] - [ -0.0000781700000000, -0.0009660300000000, -0.0013463200000000 ] - [ -0.0003453400000000, 0.0002114500000000, -0.0006273500000000 ] - [ -0.0018535900000000, -0.0169128300000000, -0.0018691900000000 ] - [ 0.0001036900000000, 0.0043808000000000, -0.0001472000000000 ] - [ 0.0033267600000000, -0.0113112300000000, 0.0004124200000000 ] - [ -0.0004741200000000, 0.0032396000000000, 0.0010365200000000 ] - [ 0.0005183700000000, 0.0007064400000000, 0.0005303700000000 ] - [ -0.0001616300000000, -0.0010481200000000, -0.0005148200000000 ] - [ -0.0071272700000000, -0.0002345800000000, 0.0014012900000000 ] - [ 0.0053069200000000, -0.0041028300000000, -0.0008875200000000 ] - [ -0.0007132100000000, 0.0003835300000000, 0.0015949500000000 ] - [ -0.0002935500000000, -0.0007909900000000, -0.0004850900000000 ] - [ -0.0000491000000000, 0.0032956100000000, -0.0004194600000000 ] - [ 0.0009017400000000, -0.0015595500000000, -0.0005052900000000 ] - [ 0.0082183500000000, 0.0051826400000000, -0.0017093300000000 ] - [ -0.0022245800000000, -0.0036891500000000, 0.0003498700000000 ] - [ 0.0008470700000000, 0.0006801500000000, -0.0001006500000000 ] - [ 0.0005354600000000, -0.0006460400000000, -0.0006399700000000 ] - [ -0.0058302200000000, 0.0084964800000000, 0.0006212600000000 ] - [ 0.0018723700000000, -0.0032012300000000, -0.0003114600000000 ] - [ 0.0000586900000000, 0.0000194700000000, 0.0019076500000000 ] - [ 0.0004288000000000, 0.0006735300000000, -0.0001178500000000 ] - [ 0.0000981300000000, -0.0000567400000000, 0.0001080300000000 ] - [ 0.0003916700000000, 0.0002199900000000, 0.0003753900000000 ] - [ 0.0009699200000000, 0.0046832300000000, 0.0005302500000000 ] - [ 0.0006680400000000, -0.0025855300000000, 0.0003280200000000 ] - [ -0.0000601000000000, -0.0004302200000000, 0.0001415100000000 ] - [ -0.0003402300000000, 0.0004274000000000, 0.0000930600000000 ] - [ 0.0002567500000000, 0.0000008300000000, 0.0003253500000000 ] - [ 0.0001175300000000, -0.0008996000000000, 0.0002212900000000 ] - [ -0.0006005000000000, -0.0005161100000000, -0.0009583300000000 ] - [ -0.0005529500000000, -0.0003171500000000, 0.0001799700000000 ] - [ 0.0004835500000000, -0.0028194600000000, 0.0016423700000000 ] - [ -0.0007114500000000, 0.0026601100000000, -0.0042870900000000 ] - [ -0.0005920700000000, 0.0002352100000000, -0.0009332500000000 ] - [ -0.0003352000000000, -0.0005001800000000, 0.0015690400000000 ] - [ 0.0005283600000000, 0.0086297000000000, -0.0092431100000000 ] - [ -0.0001559800000000, -0.0028950600000000, -0.0020100400000000 ] - [ -0.0018732300000000, 0.0082309100000000, 0.0000486300000000 ] - [ -0.0003915100000000, -0.0022670700000000, 0.0002593300000000 ] - [ 0.0005048900000000, 0.0008122400000000, 0.0005682900000000 ] - [ 0.0004382400000000, -0.0000468500000000, 0.0003814300000000 ] - [ -0.0036447300000000, -0.0129826000000000, 0.0011324400000000 ] - [ 0.0036434700000000, -0.0029796100000000, -0.0016067800000000 ] - [ -0.0003619100000000, 0.0078476400000000, 0.0034789600000000 ] - [ -0.0006561400000000, -0.0031534600000000, -0.0018382900000000 ] - [ 0.0077340600000000, 0.0065345400000000, 0.0008789800000000 ] - [ -0.0034372300000000, -0.0049150600000000, -0.0004952200000000 ] - [ -0.0012385200000000, 0.0017631200000000, 0.0006771300000000 ] - [ -0.0000264300000000, -0.0007244800000000, -0.0007860400000000 ] - [ -0.0004915700000000, 0.0012562300000000, -0.0009230900000000 ] - [ -0.0000384100000000, -0.0002121900000000, 0.0004659900000000 ] - [ 0.0004391300000000, 0.0007128400000000, 0.0001498000000000 ] - [ 0.0002916000000000, 0.0002718700000000, 0.0003864200000000 ] - [ -0.0005391700000000, -0.0001967900000000, 0.0012728700000000 ] - [ -0.0006039100000000, 0.0000806800000000, 0.0000347100000000 ] - [ -0.0000717500000000, 0.0030311700000000, -0.0007233500000000 ] - [ 0.0001898300000000, -0.0012878500000000, 0.0004912500000000 ] - [ -0.0001794000000000, 0.0001889200000000, 0.0003490100000000 ] - [ -0.0000326100000000, -0.0008354300000000, 0.0001710000000000 ] - [ 0.0000420600000000, 0.0010066600000000, 0.0008069300000000 ] - [ 0.0002595700000000, -0.0009216700000000, -0.0005604800000000 ] - [ -0.0005656500000000, -0.0014122500000000, 0.0006194900000000 ] - [ 0.0003514900000000, 0.0002367100000000, -0.0011423500000000 ] - [ -0.0050648900000000, -0.0020744500000000, -0.0062256100000000 ] - [ 0.0029500400000000, -0.0035560100000000, 0.0053107700000000 ] - [ 0.0007617500000000, 0.0001804800000000, 0.0008490200000000 ] - [ -0.0011966100000000, -0.0002764700000000, -0.0014209300000000 ] - [ 0.0005850100000000, 0.0011952700000000, 0.0011294400000000 ] - [ -0.0003973600000000, -0.0015643200000000, -0.0001497400000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0053636200000000, 0.0455612300000000, -0.0181991900000000 ] - [ 0.0002718800000000, -0.0093423000000000, -0.0001050600000000 ] - [ 0.0005441900000000, -0.0001500100000000, 0.0015398300000000 ] - [ -0.0001344700000000, -0.0006716600000000, -0.0009679100000000 ] - [ 0.0025580200000000, -0.0034357600000000, -0.0041121300000000 ] - [ -0.0047673600000000, -0.0031244900000000, 0.0052155500000000 ] - [ -0.0008889000000000, 0.0059708100000000, 0.0003865100000000 ] - [ 0.0002754400000000, -0.0034889000000000, 0.0000361500000000 ] - [ -0.0003999600000000, -0.0009496900000000, 0.0000415000000000 ] - [ 0.0010143200000000, -0.0008942700000000, -0.0008441500000000 ] - [ -0.0001844800000000, 0.0007170400000000, 0.0002525400000000 ] - [ -0.0001718100000000, -0.0005988500000000, -0.0002131200000000 ] - [ -0.0000435600000000, 0.0010378000000000, 0.0000840400000000 ] - [ -0.0002580400000000, -0.0009194500000000, 0.0002046900000000 ] - [ -0.0000105000000000, 0.0000473200000000, -0.0003451700000000 ] - [ 0.0001302600000000, -0.0001377600000000, -0.0001252000000000 ] - [ 0.0010292400000000, 0.0035485200000000, -0.0005700700000000 ] - [ -0.0001467600000000, -0.0018988000000000, 0.0004983800000000 ] - [ 0.0005759200000000, -0.0003574800000000, -0.0028321200000000 ] - [ 0.0003872200000000, -0.0003690600000000, 0.0028443400000000 ] - [ -0.0024490200000000, -0.0018212500000000, 0.0065385400000000 ] - [ 0.0026253300000000, -0.0010814400000000, -0.0055884800000000 ] - [ -0.0003743900000000, 0.0010998200000000, 0.0004466100000000 ] - [ -0.0001273600000000, -0.0008625800000000, 0.0003170800000000 ] - [ 0.0099226800000000, -0.0095823600000000, 0.0076955100000000 ] - [ -0.0084352200000000, -0.0079958800000000, -0.0065451700000000 ] - [ 0.0002184500000000, -0.0001336400000000, -0.0003931400000000 ] - [ 0.0001146700000000, -0.0003481900000000, 0.0002594500000000 ] - [ 0.0000047200000000, 0.0008709300000000, 0.0004243600000000 ] - [ -0.0001628300000000, -0.0006691400000000, 0.0002100300000000 ] - [ -0.0000845900000000, 0.0057875200000000, -0.0008461000000000 ] - [ -0.0004468400000000, -0.0033250500000000, 0.0002530000000000 ] - [ -0.0007470600000000, -0.0005405700000000, -0.0011791000000000 ] - [ 0.0002128900000000, -0.0000412100000000, 0.0018363500000000 ] - [ -0.0171884600000000, -0.0140003300000000, -0.0062112000000000 ] - [ 0.0221125700000000, -0.0165721700000000, 0.0068495300000000 ] - [ -0.0000010000000000, 0.0009811000000000, -0.0000998200000000 ] - [ 0.0000728600000000, -0.0005966700000000, -0.0005791100000000 ] - [ 0.0003905900000000, 0.0002804400000000, 0.0018631700000000 ] - [ -0.0003826100000000, -0.0001536500000000, -0.0004682800000000 ] - [ 0.0001343700000000, 0.0057949400000000, 0.0045563900000000 ] - [ 0.0001505400000000, -0.0020401700000000, -0.0000299900000000 ] - [ -0.0003215100000000, 0.0002255200000000, -0.0003629900000000 ] - [ -0.0000554600000000, -0.0009661200000000, -0.0010857800000000 ] - [ 0.0019364100000000, 0.0166621800000000, 0.0007606900000000 ] - [ 0.0000867700000000, -0.0046658700000000, -0.0009829200000000 ] - [ -0.0029641400000000, 0.0105237200000000, 0.0011727100000000 ] - [ 0.0008731100000000, -0.0039922300000000, 0.0006908100000000 ] - [ -0.0002236900000000, -0.0007225400000000, -0.0005056400000000 ] - [ 0.0004600700000000, 0.0010243600000000, 0.0005420700000000 ] - [ 0.0076475700000000, -0.0000449200000000, -0.0010274700000000 ] - [ -0.0048070100000000, 0.0038595400000000, 0.0012777400000000 ] - [ 0.0002523400000000, -0.0006252200000000, -0.0020044400000000 ] - [ -0.0001787900000000, 0.0005448300000000, 0.0001026300000000 ] - [ 0.0012768700000000, -0.0032340400000000, -0.0007013500000000 ] - [ 0.0003136300000000, 0.0016247000000000, -0.0006043300000000 ] - [ -0.0084440700000000, -0.0053312600000000, 0.0016847200000000 ] - [ 0.0019116300000000, 0.0036697900000000, -0.0003689200000000 ] - [ 0.0003716300000000, -0.0007446000000000, -0.0010074000000000 ] - [ 0.0006813600000000, 0.0005803300000000, -0.0004786000000000 ] - [ 0.0063734400000000, -0.0074744600000000, -0.0003116000000000 ] - [ -0.0014538900000000, 0.0041056900000000, 0.0006128200000000 ] - [ 0.0004028700000000, 0.0005780900000000, -0.0002980400000000 ] - [ 0.0000321300000000, -0.0000630900000000, 0.0017367600000000 ] - [ 0.0003724300000000, 0.0002988800000000, 0.0002803800000000 ] - [ 0.0000795100000000, 0.0000276400000000, 0.0000109300000000 ] - [ -0.0000218700000000, -0.0054334900000000, 0.0002342000000000 ] - [ 0.0002690500000000, 0.0018487400000000, 0.0004323900000000 ] - [ -0.0002361500000000, 0.0004476200000000, -0.0001653600000000 ] - [ 0.0000465900000000, -0.0004048000000000, -0.0001198100000000 ] - [ 0.0001785000000000, -0.0009033700000000, -0.0000266600000000 ] - [ 0.0003161000000000, 0.0000018600000000, 0.0000765100000000 ] - [ -0.0003374200000000, -0.0002268300000000, 0.0001980500000000 ] - [ -0.0003824000000000, -0.0004178600000000, -0.0009400300000000 ] - [ -0.0002398900000000, 0.0021493800000000, -0.0019352100000000 ] - [ 0.0009642800000000, -0.0032978300000000, 0.0039845800000000 ] - [ -0.0006221700000000, -0.0001747900000000, 0.0020513900000000 ] - [ -0.0008801500000000, 0.0005719600000000, -0.0004572000000000 ] - [ -0.0009811800000000, -0.0092881100000000, 0.0075620200000000 ] - [ -0.0003079300000000, 0.0022985300000000, 0.0004049500000000 ] - [ 0.0012213700000000, -0.0072062400000000, -0.0003577400000000 ] - [ -0.0002344200000000, 0.0032916900000000, -0.0006194900000000 ] - [ 0.0004325100000000, -0.0000723900000000, 0.0001930700000000 ] - [ 0.0005011100000000, 0.0007859000000000, 0.0003818000000000 ] - [ 0.0043074400000000, 0.0118713800000000, -0.0007782400000000 ] - [ -0.0030666600000000, 0.0026584500000000, 0.0020102200000000 ] - [ -0.0000791200000000, -0.0076584600000000, -0.0038273300000000 ] - [ 0.0001805500000000, 0.0033898600000000, 0.0014419900000000 ] - [ -0.0080143900000000, -0.0057393900000000, -0.0006100000000000 ] - [ 0.0032097400000000, 0.0055928900000000, 0.0007788400000000 ] - [ 0.0007844000000000, -0.0011628400000000, -0.0022778000000000 ] - [ -0.0004336100000000, 0.0013304300000000, -0.0008429400000000 ] - [ 0.0000601300000000, -0.0003592400000000, 0.0006265400000000 ] - [ -0.0003921300000000, 0.0011167900000000, -0.0007618300000000 ] - [ 0.0001891400000000, 0.0003030600000000, 0.0002035400000000 ] - [ 0.0003362500000000, 0.0007527300000000, -0.0000349100000000 ] - [ -0.0006780900000000, 0.0001281000000000, -0.0001579100000000 ] - [ -0.0006143400000000, -0.0001423100000000, 0.0010787500000000 ] - [ 0.0003228900000000, -0.0023859600000000, 0.0004447600000000 ] - [ 0.0000559900000000, 0.0019634200000000, -0.0007651400000000 ] - [ -0.0000708900000000, -0.0008603600000000, -0.0000707200000000 ] - [ -0.0002161000000000, 0.0001711900000000, 0.0001080900000000 ] - [ 0.0002490400000000, -0.0009979500000000, -0.0007835700000000 ] - [ 0.0000399900000000, 0.0009475200000000, 0.0005818000000000 ] - [ 0.0001366900000000, 0.0005075000000000, -0.0009225700000000 ] - [ -0.0007878300000000, -0.0011293100000000, 0.0008458300000000 ] - [ 0.0055579700000000, 0.0014300400000000, 0.0079008900000000 ] - [ -0.0024652700000000, 0.0029546200000000, -0.0036688000000000 ] - [ -0.0016995300000000, 0.0005488700000000, -0.0016147800000000 ] - [ 0.0002550000000000, 0.0010247200000000, 0.0006612000000000 ] - [ -0.0012238200000000, -0.0022267900000000, -0.0014983500000000 ] - [ -0.0002299500000000, 0.0005454700000000, -0.0001968800000000 ]- atom: 1 displacement: [ -0.0004120271249244, 0.0000000000000000, 0.0099915080767783 ] forces: - [ 0.0053022500000000, 0.0173527200000000, -0.0878941200000000 ] - [ -0.0000718500000000, -0.0001781500000000, -0.0026076800000000 ] - [ 0.0019369800000000, -0.0026151500000000, 0.0039918900000000 ] - [ 0.0015058900000000, 0.0020600300000000, 0.0025451000000000 ] - [ -0.0021558900000000, 0.0040689800000000, -0.0009230300000000 ] - [ -0.0069616300000000, -0.0075834500000000, -0.0004412400000000 ] - [ 0.0054113700000000, 0.0004443400000000, -0.0005776500000000 ] - [ 0.0001227100000000, -0.0001491000000000, -0.0008792700000000 ] - [ -0.0008380100000000, 0.0002711400000000, -0.0029998300000000 ] - [ 0.0002681200000000, -0.0001393600000000, -0.0027602600000000 ] - [ -0.0005217400000000, 0.0005550800000000, 0.0058851400000000 ] - [ -0.0002386200000000, 0.0000876200000000, 0.0017332000000000 ] - [ -0.0015674200000000, 0.0003405300000000, 0.0029885900000000 ] - [ -0.0002035700000000, -0.0000604400000000, 0.0011058200000000 ] - [ 0.0002074600000000, 0.0000273800000000, 0.0017521900000000 ] - [ 0.0001475100000000, -0.0000146300000000, 0.0016147000000000 ] - [ 0.0066150000000000, 0.0013914700000000, -0.0006924100000000 ] - [ 0.0003120200000000, -0.0002994200000000, -0.0005699600000000 ] - [ 0.0012509600000000, 0.0025262200000000, 0.0035072700000000 ] - [ 0.0023362300000000, -0.0031304900000000, 0.0035482600000000 ] - [ -0.0030979500000000, -0.0063386100000000, 0.0022228600000000 ] - [ -0.0025842800000000, 0.0060242700000000, 0.0003427200000000 ] - [ -0.0021845800000000, 0.0003369600000000, 0.0027097000000000 ] - [ -0.0003528000000000, -0.0000232200000000, 0.0012636300000000 ] - [ 0.0053813700000000, -0.0083321500000000, -0.0049660200000000 ] - [ 0.0036533400000000, 0.0052556300000000, -0.0038832500000000 ] - [ -0.0006077000000000, 0.0008596500000000, 0.0027294900000000 ] - [ -0.0004032800000000, -0.0014201600000000, 0.0024050000000000 ] - [ 0.0014668100000000, -0.0001669300000000, 0.0027185300000000 ] - [ -0.0000539200000000, 0.0001455400000000, 0.0015250300000000 ] - [ -0.0097327600000000, 0.0002331100000000, -0.0040489300000000 ] - [ -0.0004270500000000, -0.0002465500000000, -0.0012431200000000 ] - [ 0.0006398700000000, 0.0004525500000000, 0.0008009800000000 ] - [ -0.0001479200000000, -0.0014777600000000, 0.0006203000000000 ] - [ 0.0005000900000000, 0.0041375100000000, -0.0136056900000000 ] - [ 0.0010844800000000, -0.0056389400000000, -0.0095795200000000 ] - [ 0.0003639200000000, 0.0003281000000000, 0.0034241500000000 ] - [ 0.0003048500000000, -0.0000826600000000, 0.0012409900000000 ] - [ 0.0001983000000000, -0.0016062700000000, 0.0017006100000000 ] - [ -0.0004135100000000, 0.0011952400000000, 0.0015652000000000 ] - [ -0.0022896500000000, 0.0063742900000000, 0.0251248300000000 ] - [ 0.0007435800000000, -0.0007863600000000, 0.0010402400000000 ] - [ -0.0001825600000000, -0.0004931700000000, 0.0023718700000000 ] - [ -0.0001672600000000, 0.0000918700000000, 0.0029225000000000 ] - [ -0.0076660100000000, -0.0018774100000000, -0.0079217500000000 ] - [ -0.0001731900000000, -0.0006629000000000, -0.0023990300000000 ] - [ 0.0035348000000000, 0.0034858600000000, 0.0357520100000000 ] - [ -0.0004900300000000, -0.0015281600000000, 0.0010643400000000 ] - [ -0.0005986400000000, 0.0007828600000000, -0.0006439600000000 ] - [ -0.0002271200000000, -0.0005994800000000, -0.0004211500000000 ] - [ 0.0023088900000000, 0.0025023100000000, 0.0057798900000000 ] - [ 0.0006552900000000, 0.0005159700000000, 0.0023907300000000 ] - [ 0.0026118400000000, 0.0010932100000000, -0.0073999100000000 ] - [ -0.0000753000000000, -0.0003605500000000, -0.0011445700000000 ] - [ 0.0033493700000000, 0.0000589300000000, 0.0013661300000000 ] - [ 0.0007345400000000, -0.0002453600000000, 0.0003803900000000 ] - [ 0.0017739600000000, -0.0015565600000000, 0.0081588900000000 ] - [ -0.0002415200000000, 0.0006794900000000, 0.0019904700000000 ] - [ -0.0003580000000000, -0.0002416500000000, -0.0034683300000000 ] - [ 0.0004094000000000, -0.0003046000000000, -0.0015227000000000 ] - [ -0.0002997100000000, 0.0012408300000000, 0.0098358100000000 ] - [ -0.0001507800000000, 0.0005337000000000, 0.0019342900000000 ] - [ 0.0006180600000000, 0.0006697500000000, -0.0014126500000000 ] - [ 0.0010346400000000, -0.0010862000000000, -0.0024501200000000 ] - [ 0.0001910300000000, 0.0001672700000000, -0.0014646900000000 ] - [ 0.0001599300000000, 0.0006942600000000, -0.0020972900000000 ] - [ 0.0015615100000000, -0.0002403700000000, 0.0033237900000000 ] - [ 0.0007243300000000, -0.0002376300000000, 0.0015981200000000 ] - [ -0.0001654300000000, 0.0003685700000000, -0.0015002200000000 ] - [ -0.0000863400000000, -0.0000689900000000, -0.0024568700000000 ] - [ 0.0005439100000000, -0.0002144500000000, -0.0026381900000000 ] - [ 0.0003257400000000, -0.0002612800000000, -0.0013421600000000 ] - [ -0.0000399300000000, -0.0008986500000000, -0.0011941700000000 ] - [ 0.0001712300000000, 0.0002842100000000, -0.0014246900000000 ] - [ 0.0002687600000000, 0.0022445800000000, -0.0005536800000000 ] - [ -0.0029761200000000, -0.0071953400000000, -0.0051931000000000 ] - [ -0.0009540400000000, -0.0005726300000000, 0.0014982700000000 ] - [ -0.0001836600000000, 0.0005952300000000, 0.0014689800000000 ] - [ -0.0030989100000000, -0.0082042300000000, 0.0292656300000000 ] - [ -0.0002635600000000, -0.0007606300000000, 0.0002654900000000 ] - [ 0.0062704600000000, -0.0016883800000000, -0.0047039200000000 ] - [ 0.0001001500000000, 0.0009175600000000, 0.0005512400000000 ] - [ 0.0000762300000000, 0.0003302800000000, -0.0016366500000000 ] - [ 0.0001771700000000, 0.0003767100000000, -0.0007756300000000 ] - [ 0.0017910000000000, 0.0022667600000000, 0.0075287800000000 ] - [ 0.0013608500000000, -0.0007328100000000, 0.0095174400000000 ] - [ -0.0043418300000000, 0.0016117400000000, 0.0017437600000000 ] - [ -0.0004881000000000, -0.0002695800000000, 0.0007723700000000 ] - [ -0.0017241300000000, 0.0010510000000000, 0.0091395000000000 ] - [ 0.0001580400000000, 0.0001273500000000, 0.0027084600000000 ] - [ -0.0005423700000000, 0.0014459700000000, -0.0096424100000000 ] - [ -0.0000536700000000, 0.0000619900000000, -0.0019640400000000 ] - [ -0.0009995800000000, 0.0000676300000000, -0.0011104800000000 ] - [ -0.0002867400000000, 0.0009465900000000, -0.0007587900000000 ] - [ -0.0000748200000000, 0.0003108100000000, -0.0023647100000000 ] - [ -0.0002298400000000, 0.0007755500000000, -0.0019786500000000 ] - [ -0.0007935600000000, 0.0005241900000000, -0.0008929200000000 ] - [ -0.0005651200000000, -0.0003910600000000, -0.0006757300000000 ] - [ 0.0024057100000000, -0.0045580600000000, -0.0049843100000000 ] - [ 0.0001034900000000, 0.0022351900000000, -0.0011589700000000 ] - [ -0.0001723900000000, -0.0002686900000000, -0.0021180900000000 ] - [ -0.0000950500000000, -0.0005037900000000, -0.0011576000000000 ] - [ 0.0018474900000000, 0.0013417300000000, -0.0004805200000000 ] - [ 0.0003639800000000, -0.0005700700000000, -0.0000086600000000 ] - [ -0.0003206000000000, 0.0004966600000000, 0.0002979100000000 ] - [ 0.0013712300000000, -0.0018489400000000, 0.0003541300000000 ] - [ -0.0045227000000000, -0.0075322800000000, 0.0023962400000000 ] - [ -0.0007285600000000, 0.0016104900000000, 0.0032675900000000 ] - [ -0.0024582100000000, 0.0020107000000000, 0.0004398000000000 ] - [ -0.0010129900000000, -0.0004715800000000, 0.0005014600000000 ] - [ -0.0034722200000000, -0.0020263300000000, -0.0069800300000000 ] - [ -0.0006213900000000, -0.0002246200000000, -0.0009794100000000 ]- atom: 1 displacement: [ 0.0004120271249244, 0.0000000000000000, -0.0099915080767783 ] forces: - [ -0.0061639000000000, -0.0179284600000000, 0.0881992100000000 ] - [ -0.0002702600000000, 0.0002094400000000, 0.0019806100000000 ] - [ -0.0015936800000000, 0.0027032700000000, -0.0041076200000000 ] - [ -0.0011609400000000, -0.0019463000000000, -0.0026535100000000 ] - [ 0.0025083000000000, -0.0041814100000000, 0.0008486600000000 ] - [ 0.0073483000000000, 0.0075434000000000, 0.0003597500000000 ] - [ -0.0057693600000000, -0.0005339400000000, 0.0007331900000000 ] - [ -0.0004576700000000, 0.0000527100000000, 0.0010031100000000 ] - [ 0.0009746500000000, -0.0001661700000000, 0.0023418800000000 ] - [ -0.0001244400000000, 0.0002186400000000, 0.0021028300000000 ] - [ 0.0001854600000000, -0.0005887600000000, -0.0065236800000000 ] - [ -0.0000970200000000, -0.0001229200000000, -0.0023658100000000 ] - [ 0.0012279700000000, -0.0002430600000000, -0.0028805100000000 ] - [ -0.0001337700000000, 0.0001546900000000, -0.0010005000000000 ] - [ -0.0000686800000000, -0.0001232400000000, -0.0024005700000000 ] - [ -0.0000086800000000, -0.0000768600000000, -0.0022661300000000 ] - [ -0.0067254900000000, -0.0014814200000000, 0.0013160500000000 ] - [ -0.0004510700000000, 0.0002048700000000, 0.0012101400000000 ] - [ -0.0009311400000000, -0.0025111500000000, -0.0028735700000000 ] - [ -0.0020148400000000, 0.0031891900000000, -0.0029239800000000 ] - [ 0.0034151100000000, 0.0062663500000000, -0.0016072800000000 ] - [ 0.0029023700000000, -0.0060234500000000, 0.0002644400000000 ] - [ 0.0020646400000000, -0.0002435600000000, -0.0020577300000000 ] - [ 0.0002170600000000, 0.0001162500000000, -0.0006077400000000 ] - [ -0.0049459500000000, 0.0085312000000000, 0.0044608900000000 ] - [ -0.0032175400000000, -0.0050630600000000, 0.0033845700000000 ] - [ 0.0010616200000000, -0.0010825600000000, -0.0031758200000000 ] - [ 0.0008520600000000, 0.0012157200000000, -0.0028442200000000 ] - [ -0.0019270400000000, 0.0003770700000000, -0.0022879800000000 ] - [ -0.0003928500000000, 0.0000682200000000, -0.0010900900000000 ] - [ 0.0092624800000000, -0.0004406100000000, 0.0044187800000000 ] - [ -0.0000113300000000, 0.0000417600000000, 0.0016676000000000 ] - [ -0.0008319300000000, -0.0007407600000000, 0.0003476500000000 ] - [ -0.0000416000000000, 0.0011987600000000, 0.0005258400000000 ] - [ -0.0008483600000000, -0.0033223100000000, 0.0119949700000000 ] - [ -0.0014413600000000, 0.0062803700000000, 0.0079728600000000 ] - [ -0.0001628300000000, -0.0000437600000000, -0.0045561900000000 ] - [ -0.0001089900000000, 0.0003685000000000, -0.0023705400000000 ] - [ -0.0003892000000000, 0.0018851600000000, -0.0005853600000000 ] - [ 0.0002196300000000, -0.0009068200000000, -0.0004461900000000 ] - [ 0.0027380500000000, -0.0056326800000000, -0.0237126200000000 ] - [ -0.0003357900000000, 0.0015394000000000, 0.0006726700000000 ] - [ -0.0002384700000000, -0.0002608000000000, -0.0040727000000000 ] - [ -0.0002490700000000, -0.0008347000000000, -0.0046223900000000 ] - [ 0.0077925300000000, 0.0015853300000000, 0.0068982200000000 ] - [ 0.0003619900000000, 0.0003780700000000, 0.0012848600000000 ] - [ -0.0030936100000000, -0.0042285800000000, -0.0335258300000000 ] - [ 0.0008991500000000, 0.0007795100000000, 0.0006145200000000 ] - [ 0.0009075500000000, -0.0007920000000000, 0.0006559700000000 ] - [ 0.0005305800000000, 0.0005967100000000, 0.0004349700000000 ] - [ -0.0018441100000000, -0.0027753100000000, -0.0053768000000000 ] - [ -0.0001817500000000, -0.0007443500000000, -0.0019947800000000 ] - [ -0.0031085900000000, -0.0013633800000000, 0.0070286900000000 ] - [ -0.0004176900000000, 0.0001129900000000, 0.0007560600000000 ] - [ -0.0021554900000000, 0.0000101100000000, -0.0025136100000000 ] - [ 0.0004783100000000, 0.0003109900000000, -0.0014994800000000 ] - [ -0.0020145800000000, 0.0015178000000000, -0.0082188000000000 ] - [ -0.0000556700000000, -0.0006785700000000, -0.0020234600000000 ] - [ 0.0015667600000000, 0.0001812800000000, 0.0023689300000000 ] - [ 0.0008013000000000, 0.0002393300000000, 0.0004204300000000 ] - [ 0.0007799700000000, -0.0003348900000000, -0.0095419900000000 ] - [ 0.0005864700000000, 0.0003457600000000, -0.0016354300000000 ] - [ -0.0001296700000000, -0.0000765200000000, 0.0030247700000000 ] - [ -0.0005442800000000, 0.0016740700000000, 0.0040629600000000 ] - [ 0.0003047300000000, 0.0000896300000000, 0.0018491200000000 ] - [ 0.0003358500000000, -0.0004462300000000, 0.0024835500000000 ] - [ -0.0006193900000000, -0.0005009700000000, -0.0025581600000000 ] - [ 0.0002019500000000, -0.0004948300000000, -0.0008379400000000 ] - [ -0.0001385300000000, -0.0003614200000000, 0.0014806100000000 ] - [ -0.0002218300000000, 0.0000730300000000, 0.0024353300000000 ] - [ -0.0001203800000000, -0.0006736800000000, 0.0029407600000000 ] - [ 0.0001017800000000, -0.0006302200000000, 0.0016410000000000 ] - [ -0.0008950400000000, 0.0001682700000000, 0.0004290600000000 ] - [ -0.0011050200000000, -0.0010235200000000, 0.0006612100000000 ] - [ -0.0000323000000000, -0.0029043300000000, 0.0002821400000000 ] - [ 0.0031822600000000, 0.0064643400000000, 0.0048619600000000 ] - [ -0.0002532800000000, 0.0006332300000000, -0.0004100000000000 ] - [ -0.0010352900000000, -0.0005317900000000, -0.0003783100000000 ] - [ 0.0029257700000000, 0.0083157300000000, -0.0329561500000000 ] - [ -0.0002195600000000, 0.0001699200000000, -0.0018903900000000 ] - [ -0.0069495700000000, 0.0027231200000000, 0.0046919900000000 ] - [ -0.0007196100000000, 0.0001005600000000, -0.0008937400000000 ] - [ 0.0008494300000000, 0.0004040300000000, 0.0023949500000000 ] - [ 0.0007493500000000, 0.0003590200000000, 0.0015339800000000 ] - [ -0.0011806400000000, -0.0033444700000000, -0.0071515600000000 ] - [ -0.0007526600000000, -0.0002205800000000, -0.0091505200000000 ] - [ 0.0040377400000000, -0.0014913400000000, -0.0015748400000000 ] - [ -0.0000013200000000, 0.0005233900000000, -0.0011388500000000 ] - [ 0.0014280500000000, -0.0003528800000000, -0.0088857100000000 ] - [ -0.0004021900000000, 0.0005366100000000, -0.0024417500000000 ] - [ 0.0000498200000000, -0.0008518400000000, 0.0080248500000000 ] - [ -0.0004302600000000, 0.0005242500000000, 0.0003649100000000 ] - [ 0.0005753000000000, 0.0008256500000000, 0.0008024500000000 ] - [ -0.0001428400000000, -0.0000595400000000, 0.0004528400000000 ] - [ 0.0007014400000000, 0.0007129700000000, 0.0027280200000000 ] - [ 0.0008542600000000, 0.0002361000000000, 0.0023364400000000 ] - [ -0.0004203000000000, -0.0005855000000000, 0.0020076800000000 ] - [ -0.0006485100000000, 0.0003267700000000, 0.0017885400000000 ] - [ -0.0021950700000000, 0.0052760700000000, 0.0047459900000000 ] - [ 0.0001321000000000, -0.0015768600000000, 0.0008747300000000 ] - [ -0.0000574700000000, -0.0003987000000000, 0.0024051000000000 ] - [ -0.0001380500000000, -0.0001686100000000, 0.0014399000000000 ] - [ -0.0015374900000000, -0.0013300200000000, 0.0005098800000000 ] - [ -0.0000608000000000, 0.0005754900000000, 0.0000383300000000 ] - [ -0.0001122400000000, -0.0013831600000000, -0.0005849800000000 ] - [ -0.0017940200000000, 0.0009544900000000, -0.0006395600000000 ] - [ 0.0050310000000000, 0.0069751100000000, -0.0008572100000000 ] - [ 0.0012213900000000, -0.0021992700000000, -0.0017024000000000 ] - [ 0.0015229500000000, -0.0012703100000000, -0.0011886400000000 ] - [ 0.0000830400000000, 0.0012050800000000, -0.0012435800000000 ] - [ 0.0028712900000000, 0.0010154500000000, 0.0066671900000000 ] - [ 0.0000005700000000, -0.0007928500000000, 0.0006186000000000 ]- atom: 3 displacement: [ 0.0099999999631191, 0.0000000000000000, -0.0000008588465536 ] forces: - [ -0.0002062200000000, -0.0003633800000000, 0.0014419800000000 ] - [ -0.0002329200000000, 0.0003180000000000, 0.0010123900000000 ] - [ -0.0547465300000000, -0.0103502600000000, -0.0182474000000000 ] - [ -0.0023934100000000, 0.0001015500000000, -0.0013222800000000 ] - [ -0.0004549800000000, -0.0000659200000000, -0.0000067500000000 ] - [ -0.0001914800000000, -0.0000455800000000, 0.0000742600000000 ] - [ 0.0004601500000000, 0.0000691000000000, 0.0001784100000000 ] - [ 0.0001790900000000, -0.0001332000000000, 0.0001977600000000 ] - [ 0.0012032000000000, 0.0000014600000000, -0.0031006200000000 ] - [ 0.0002326800000000, 0.0001742300000000, -0.0005605300000000 ] - [ 0.0001816400000000, -0.0049536900000000, -0.0074616800000000 ] - [ -0.0006962200000000, 0.0023599300000000, -0.0026778000000000 ] - [ 0.0044345800000000, 0.0016395400000000, 0.0007245900000000 ] - [ 0.0044335700000000, -0.0023605500000000, 0.0008994300000000 ] - [ 0.0065395200000000, -0.0009290600000000, 0.0103834200000000 ] - [ 0.0006154900000000, 0.0002247000000000, 0.0002207200000000 ] - [ -0.0021153300000000, 0.0053492800000000, -0.0058573800000000 ] - [ -0.0029458400000000, -0.0030656500000000, -0.0020248600000000 ] - [ 0.0011078700000000, 0.0001346500000000, -0.0010297800000000 ] - [ 0.0004237000000000, -0.0000734600000000, 0.0002985700000000 ] - [ 0.0095017300000000, 0.0007126800000000, 0.0062605600000000 ] - [ 0.0016014100000000, -0.0004617100000000, 0.0006727800000000 ] - [ -0.0003975200000000, 0.0004962700000000, 0.0016374100000000 ] - [ -0.0004275500000000, -0.0001248200000000, 0.0009586800000000 ] - [ -0.0061909000000000, -0.0003949500000000, 0.0021968700000000 ] - [ -0.0008956800000000, 0.0001292600000000, 0.0005964300000000 ] - [ -0.0039687900000000, -0.0000793800000000, -0.0019588800000000 ] - [ -0.0005141000000000, -0.0001129100000000, 0.0000983100000000 ] - [ 0.0012813200000000, -0.0000930500000000, 0.0002662400000000 ] - [ 0.0007046100000000, 0.0002237200000000, 0.0003813200000000 ] - [ 0.0019635400000000, 0.0006737900000000, -0.0002961900000000 ] - [ 0.0013693000000000, -0.0009468300000000, -0.0001618700000000 ] - [ 0.0006146200000000, -0.0004343000000000, 0.0010377800000000 ] - [ 0.0001129200000000, -0.0000683900000000, 0.0008930100000000 ] - [ 0.0014055000000000, 0.0004101800000000, -0.0003758600000000 ] - [ 0.0004026600000000, 0.0002063700000000, -0.0003970300000000 ] - [ -0.0030646600000000, 0.0112303300000000, 0.0103169200000000 ] - [ -0.0014681800000000, -0.0048440300000000, 0.0030101500000000 ] - [ 0.0193324900000000, -0.0000991600000000, -0.0134634700000000 ] - [ 0.0003323000000000, 0.0003835300000000, -0.0005793600000000 ] - [ -0.0005034100000000, 0.0001728800000000, 0.0006476300000000 ] - [ -0.0000003200000000, 0.0005825100000000, 0.0008134200000000 ] - [ 0.0097542800000000, -0.0002443600000000, -0.0041683300000000 ] - [ 0.0007567700000000, -0.0008499200000000, -0.0019835300000000 ] - [ -0.0010798100000000, 0.0002991100000000, -0.0009026400000000 ] - [ -0.0004408300000000, -0.0004382200000000, -0.0006645300000000 ] - [ 0.0016433400000000, -0.0122120900000000, 0.0133946700000000 ] - [ 0.0037090400000000, 0.0088960500000000, 0.0032267500000000 ] - [ -0.0002096400000000, -0.0000894600000000, -0.0002310300000000 ] - [ -0.0003622100000000, 0.0001286700000000, -0.0000974200000000 ] - [ -0.0013850600000000, -0.0001650200000000, 0.0001433200000000 ] - [ -0.0003628600000000, -0.0001195300000000, 0.0000539500000000 ] - [ 0.0008010500000000, -0.0001001400000000, -0.0001424400000000 ] - [ 0.0006741800000000, -0.0004169500000000, -0.0001375900000000 ] - [ 0.0008993900000000, -0.0001409000000000, -0.0006830400000000 ] - [ 0.0007830400000000, 0.0000940500000000, -0.0007227300000000 ] - [ 0.0010486600000000, -0.0003632000000000, 0.0001271500000000 ] - [ 0.0003294300000000, 0.0001811300000000, -0.0002343900000000 ] - [ 0.0095638000000000, 0.0030002700000000, -0.0004209300000000 ] - [ 0.0018629800000000, 0.0029632600000000, -0.0004955700000000 ] - [ 0.0012752700000000, 0.0002960700000000, 0.0000107500000000 ] - [ 0.0015467800000000, 0.0009999300000000, 0.0003219500000000 ] - [ -0.0077467600000000, -0.0015925800000000, 0.0015363900000000 ] - [ -0.0012567300000000, 0.0009538900000000, 0.0013190900000000 ] - [ -0.0034920500000000, -0.0005172800000000, 0.0007698100000000 ] - [ -0.0006480400000000, 0.0001253300000000, 0.0004027800000000 ] - [ 0.0003569100000000, -0.0010433700000000, 0.0015037300000000 ] - [ 0.0006188000000000, 0.0000076000000000, 0.0008417600000000 ] - [ 0.0064919000000000, 0.0001377300000000, 0.0004953200000000 ] - [ 0.0026314000000000, -0.0019138000000000, -0.0010083500000000 ] - [ 0.0074265700000000, -0.0016630700000000, -0.0039024500000000 ] - [ 0.0010884300000000, 0.0003450900000000, -0.0003516400000000 ] - [ -0.0002480400000000, -0.0000939300000000, -0.0014434000000000 ] - [ -0.0004023700000000, -0.0004965500000000, -0.0007532200000000 ] - [ 0.0100743200000000, 0.0053296900000000, 0.0063363900000000 ] - [ 0.0022256100000000, 0.0029249900000000, -0.0017269200000000 ] - [ -0.0007404500000000, -0.0000741000000000, 0.0008841800000000 ] - [ -0.0006693300000000, 0.0000053000000000, 0.0004139800000000 ] - [ 0.0000398400000000, -0.0001573800000000, -0.0010620400000000 ] - [ -0.0000430000000000, -0.0003162500000000, -0.0010414800000000 ] - [ -0.0030977100000000, 0.0018442800000000, -0.0032863200000000 ] - [ -0.0026249200000000, -0.0007938600000000, -0.0013536500000000 ] - [ -0.0006709300000000, -0.0007534400000000, -0.0021810600000000 ] - [ 0.0004416200000000, 0.0014119200000000, -0.0009059800000000 ] - [ -0.0005798100000000, -0.0004902400000000, -0.0015803700000000 ] - [ 0.0000155800000000, -0.0003620900000000, -0.0004907900000000 ] - [ 0.0049439000000000, 0.0024005100000000, -0.0057859100000000 ] - [ 0.0009325900000000, -0.0023646300000000, -0.0014348700000000 ] - [ -0.0007506700000000, 0.0003045800000000, -0.0002171100000000 ] - [ -0.0009690500000000, 0.0002569400000000, 0.0001007300000000 ] - [ 0.0115756900000000, -0.0033597400000000, -0.0009197100000000 ] - [ -0.0001069900000000, -0.0024407700000000, 0.0003145400000000 ] - [ -0.0010391200000000, 0.0003705500000000, -0.0007648200000000 ] - [ -0.0005040400000000, 0.0005324700000000, -0.0004066200000000 ] - [ -0.0035648800000000, -0.0003149900000000, 0.0058538600000000 ] - [ 0.0003380200000000, 0.0006337900000000, 0.0005622800000000 ] - [ -0.0114061900000000, 0.0041879000000000, 0.0001412200000000 ] - [ -0.0014224200000000, -0.0009354000000000, 0.0007504500000000 ] - [ 0.0009157200000000, 0.0004928800000000, 0.0001490600000000 ] - [ 0.0003626700000000, 0.0002304100000000, -0.0001972700000000 ] - [ -0.0039631300000000, 0.0005363800000000, 0.0005213500000000 ] - [ -0.0011177500000000, 0.0000667100000000, 0.0000829000000000 ] - [ -0.0045874600000000, -0.0023946600000000, 0.0019927800000000 ] - [ -0.0005783700000000, 0.0003916900000000, 0.0004958300000000 ] - [ -0.0044643300000000, 0.0018766700000000, 0.0029279400000000 ] - [ -0.0011157600000000, -0.0009105400000000, 0.0002929300000000 ] - [ -0.0002511000000000, -0.0001414200000000, 0.0007381300000000 ] - [ 0.0000183300000000, -0.0002032200000000, 0.0005526700000000 ] - [ 0.0004483000000000, 0.0011216600000000, 0.0080790400000000 ] - [ 0.0002736400000000, 0.0003380300000000, 0.0001209100000000 ] - [ -0.0005594600000000, -0.0001395500000000, 0.0005503600000000 ] - [ -0.0004264500000000, -0.0006665200000000, -0.0000081400000000 ]- atom: 3 displacement: [ -0.0099999999631191, 0.0000000000000000, 0.0000008588465536 ] forces: - [ -0.0001380800000000, 0.0003966400000000, -0.0020791700000000 ] - [ -0.0001073200000000, -0.0002848200000000, -0.0016422300000000 ] - [ 0.0549356200000000, 0.0095565500000000, 0.0185688900000000 ] - [ 0.0027240000000000, 0.0000064600000000, 0.0012069400000000 ] - [ 0.0007847900000000, -0.0000355100000000, -0.0001164500000000 ] - [ 0.0005227600000000, -0.0000510900000000, -0.0001950500000000 ] - [ -0.0007921700000000, -0.0001662600000000, -0.0000586000000000 ] - [ -0.0005106300000000, 0.0000329100000000, -0.0000810300000000 ] - [ -0.0010719500000000, 0.0000741600000000, 0.0024536700000000 ] - [ -0.0001005000000000, -0.0000970300000000, -0.0000798700000000 ] - [ -0.0005053100000000, 0.0049451000000000, 0.0068407500000000 ] - [ 0.0003854300000000, -0.0023997700000000, 0.0020453100000000 ] - [ -0.0047626800000000, -0.0015138000000000, -0.0006025100000000 ] - [ -0.0047679800000000, 0.0024138700000000, -0.0007751800000000 ] - [ -0.0063984400000000, 0.0008352400000000, -0.0109076700000000 ] - [ -0.0004885400000000, -0.0002983300000000, -0.0008601200000000 ] - [ 0.0019586800000000, -0.0054108900000000, 0.0064859800000000 ] - [ 0.0027837600000000, 0.0029829300000000, 0.0026670900000000 ] - [ -0.0007619400000000, -0.0001039400000000, 0.0016821600000000 ] - [ -0.0000767400000000, 0.0001093800000000, 0.0003420500000000 ] - [ -0.0091997100000000, -0.0007591700000000, -0.0057152700000000 ] - [ -0.0012531000000000, 0.0004298000000000, -0.0000315300000000 ] - [ 0.0002586500000000, -0.0004240500000000, -0.0010135800000000 ] - [ 0.0002856400000000, 0.0002092400000000, -0.0003376800000000 ] - [ 0.0066399900000000, 0.0005952200000000, -0.0025832800000000 ] - [ 0.0013573000000000, 0.0000756200000000, -0.0010384900000000 ] - [ 0.0044698900000000, -0.0001331200000000, 0.0014567300000000 ] - [ 0.0009770700000000, -0.0000954000000000, -0.0005486300000000 ] - [ -0.0017442000000000, 0.0003083600000000, 0.0001841800000000 ] - [ -0.0011703400000000, -0.0000212600000000, 0.0000669500000000 ] - [ -0.0024196600000000, -0.0008689500000000, 0.0007303000000000 ] - [ -0.0018234000000000, 0.0007358500000000, 0.0005981600000000 ] - [ -0.0008108500000000, 0.0001440900000000, 0.0000838100000000 ] - [ -0.0003000100000000, -0.0002145800000000, 0.0002291900000000 ] - [ -0.0017976600000000, 0.0003349200000000, -0.0013384600000000 ] - [ -0.0008015500000000, 0.0005455600000000, -0.0013158800000000 ] - [ 0.0031556700000000, -0.0109626500000000, -0.0114046100000000 ] - [ 0.0015557000000000, 0.0051980400000000, -0.0041178900000000 ] - [ -0.0193080600000000, 0.0003600500000000, 0.0143802500000000 ] - [ -0.0005264000000000, -0.0000984300000000, 0.0017118200000000 ] - [ 0.0009130100000000, 0.0005791300000000, 0.0010645300000000 ] - [ 0.0004091800000000, 0.0001703700000000, 0.0008958400000000 ] - [ -0.0101971200000000, -0.0004885000000000, 0.0025345500000000 ] - [ -0.0011511600000000, 0.0000980400000000, 0.0002691400000000 ] - [ 0.0012607600000000, -0.0005813100000000, -0.0002266100000000 ] - [ 0.0006215100000000, 0.0001541300000000, -0.0004604800000000 ] - [ -0.0012238800000000, 0.0115169700000000, -0.0117038400000000 ] - [ -0.0032567000000000, -0.0096180300000000, -0.0015333000000000 ] - [ 0.0005040700000000, 0.0000720400000000, 0.0002549000000000 ] - [ 0.0006614700000000, -0.0001447000000000, 0.0001188600000000 ] - [ 0.0018575900000000, -0.0000819000000000, 0.0002511500000000 ] - [ 0.0008381300000000, -0.0001292900000000, 0.0003304600000000 ] - [ -0.0012835400000000, -0.0001485700000000, -0.0002394200000000 ] - [ -0.0011615400000000, 0.0001667500000000, -0.0002364800000000 ] - [ 0.0003185000000000, 0.0002048500000000, -0.0004219900000000 ] - [ 0.0004366200000000, -0.0000298300000000, -0.0003859200000000 ] - [ -0.0013399100000000, 0.0003456200000000, -0.0001483900000000 ] - [ -0.0006197400000000, -0.0001976600000000, 0.0002101700000000 ] - [ -0.0081111500000000, -0.0027207800000000, -0.0006851000000000 ] - [ -0.0006133100000000, -0.0030320900000000, -0.0006312800000000 ] - [ -0.0008354900000000, 0.0005993600000000, 0.0002881800000000 ] - [ -0.0011025800000000, -0.0001010000000000, -0.0000252000000000 ] - [ 0.0082728400000000, 0.0022172500000000, 0.0000558300000000 ] - [ 0.0017110000000000, -0.0003524100000000, 0.0002990700000000 ] - [ 0.0039735100000000, 0.0007754500000000, -0.0004077900000000 ] - [ 0.0011242700000000, 0.0001205700000000, -0.0000200300000000 ] - [ 0.0005783600000000, 0.0003041500000000, -0.0007390000000000 ] - [ 0.0003146900000000, -0.0007429800000000, -0.0000802500000000 ] - [ -0.0067547800000000, -0.0000983000000000, -0.0005351400000000 ] - [ -0.0029230100000000, 0.0019332900000000, 0.0009734300000000 ] - [ -0.0069379900000000, 0.0008077600000000, 0.0042193000000000 ] - [ -0.0006458100000000, -0.0012720800000000, 0.0006549500000000 ] - [ -0.0006693300000000, -0.0006402300000000, 0.0006935300000000 ] - [ -0.0005259500000000, -0.0002424800000000, -0.0000034600000000 ] - [ -0.0098865200000000, -0.0061892400000000, -0.0068508600000000 ] - [ -0.0019768600000000, -0.0035998200000000, 0.0014521500000000 ] - [ -0.0004748100000000, 0.0001414900000000, 0.0002317600000000 ] - [ -0.0005472900000000, 0.0000588800000000, 0.0006979400000000 ] - [ -0.0005018700000000, -0.0004442600000000, -0.0005524800000000 ] - [ -0.0004195300000000, -0.0002835400000000, -0.0005674800000000 ] - [ 0.0024664700000000, -0.0008346500000000, 0.0029361600000000 ] - [ 0.0019798100000000, 0.0018127000000000, 0.0010032500000000 ] - [ 0.0016235000000000, 0.0014901200000000, 0.0029340000000000 ] - [ 0.0005305600000000, -0.0006751800000000, 0.0016645100000000 ] - [ 0.0011917400000000, -0.0005248200000000, 0.0019269300000000 ] - [ 0.0006047600000000, -0.0006594600000000, 0.0008420400000000 ] - [ -0.0054569800000000, -0.0021420400000000, 0.0054076500000000 ] - [ -0.0014071000000000, 0.0025893400000000, 0.0010442300000000 ] - [ 0.0005009800000000, 0.0003611400000000, 0.0004977700000000 ] - [ 0.0007175400000000, 0.0004131800000000, 0.0001810300000000 ] - [ -0.0125713200000000, 0.0045583300000000, -0.0007332900000000 ] - [ -0.0003692500000000, 0.0030367500000000, -0.0019243400000000 ] - [ 0.0006081300000000, 0.0005257400000000, 0.0004590100000000 ] - [ 0.0000681700000000, 0.0003626200000000, 0.0001092700000000 ] - [ 0.0041705400000000, 0.0013427500000000, -0.0055557600000000 ] - [ 0.0002780000000000, 0.0003828900000000, -0.0002130200000000 ] - [ 0.0103668000000000, -0.0042494100000000, 0.0009546600000000 ] - [ 0.0002115900000000, 0.0008712900000000, 0.0003568400000000 ] - [ -0.0006746400000000, 0.0001756900000000, -0.0004289700000000 ] - [ -0.0001169000000000, 0.0004355800000000, -0.0000812100000000 ] - [ 0.0037184700000000, -0.0012225100000000, -0.0002541000000000 ] - [ 0.0008668900000000, -0.0007277700000000, 0.0001920500000000 ] - [ 0.0048740600000000, 0.0023972500000000, -0.0019444400000000 ] - [ 0.0008763300000000, -0.0003664200000000, -0.0004692500000000 ] - [ 0.0040187200000000, -0.0027602800000000, -0.0031925200000000 ] - [ 0.0006797400000000, 0.0000078700000000, -0.0005895700000000 ] - [ 0.0007092700000000, -0.0004584400000000, 0.0008734300000000 ] - [ 0.0004408600000000, -0.0003978900000000, 0.0010618800000000 ] - [ -0.0012342800000000, -0.0003832800000000, -0.0088589700000000 ] - [ -0.0011989000000000, 0.0003959500000000, -0.0008796300000000 ] - [ -0.0000657200000000, -0.0008835200000000, -0.0009065300000000 ] - [ -0.0002012200000000, -0.0003515800000000, -0.0003453900000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008349800000000, 0.0002243000000000, -0.0030014800000000 ] - [ 0.0002919500000000, 0.0007421600000000, 0.0017147700000000 ] - [ -0.0096711900000000, -0.0935160700000000, -0.0068157000000000 ] - [ 0.0002218400000000, 0.0076434300000000, 0.0000897200000000 ] - [ 0.0001908200000000, -0.0013183900000000, -0.0000485400000000 ] - [ 0.0001716900000000, 0.0011318700000000, -0.0000438900000000 ] - [ -0.0000582600000000, -0.0005533500000000, 0.0000295600000000 ] - [ -0.0002583100000000, 0.0003968200000000, 0.0001138700000000 ] - [ -0.0000899600000000, -0.0010027800000000, 0.0002512600000000 ] - [ 0.0001685100000000, 0.0011625600000000, -0.0005034900000000 ] - [ -0.0053446000000000, 0.0030449000000000, 0.0070655300000000 ] - [ 0.0042293900000000, 0.0033665800000000, -0.0042411900000000 ] - [ 0.0022170400000000, 0.0011061200000000, 0.0001613700000000 ] - [ -0.0017484800000000, 0.0011241900000000, 0.0000611400000000 ] - [ -0.0011077600000000, -0.0065337600000000, -0.0023055300000000 ] - [ 0.0001254200000000, 0.0035222400000000, -0.0001267300000000 ] - [ 0.0059184400000000, 0.0044775400000000, -0.0099513700000000 ] - [ -0.0042650000000000, 0.0040875100000000, 0.0061539800000000 ] - [ 0.0001851800000000, -0.0009694600000000, 0.0000158000000000 ] - [ 0.0001384800000000, 0.0009877900000000, 0.0004190600000000 ] - [ 0.0021896400000000, -0.0060325000000000, 0.0008910200000000 ] - [ -0.0000623700000000, 0.0034187100000000, 0.0001973500000000 ] - [ 0.0004944200000000, 0.0003738100000000, 0.0033652700000000 ] - [ -0.0006658300000000, 0.0010070500000000, -0.0022007500000000 ] - [ -0.0004185900000000, -0.0074879500000000, 0.0036420800000000 ] - [ 0.0003855100000000, 0.0030430800000000, -0.0006239500000000 ] - [ 0.0006934700000000, -0.0077293500000000, -0.0037019100000000 ] - [ 0.0000901000000000, 0.0028888300000000, 0.0002672000000000 ] - [ 0.0007871100000000, -0.0001506200000000, 0.0011332900000000 ] - [ -0.0010735600000000, 0.0003976200000000, -0.0006961000000000 ] - [ -0.0011156100000000, -0.0006964500000000, -0.0006479000000000 ] - [ 0.0005042300000000, 0.0004922000000000, 0.0010461500000000 ] - [ -0.0005482900000000, -0.0012278200000000, 0.0003966700000000 ] - [ 0.0002433300000000, 0.0010832000000000, 0.0007072900000000 ] - [ 0.0004313200000000, -0.0006015000000000, -0.0004718900000000 ] - [ -0.0005611800000000, 0.0015342300000000, -0.0009912500000000 ] - [ 0.0098003900000000, 0.0199117300000000, 0.0196682200000000 ] - [ -0.0080440600000000, 0.0160467400000000, -0.0081870700000000 ] - [ -0.0016159700000000, -0.0074364500000000, 0.0036164300000000 ] - [ -0.0003796800000000, 0.0040073200000000, 0.0001134100000000 ] - [ -0.0003856500000000, -0.0005790500000000, 0.0016411400000000 ] - [ 0.0008051900000000, 0.0016746800000000, 0.0000244700000000 ] - [ -0.0003781700000000, -0.0052116200000000, -0.0019094100000000 ] - [ 0.0000275000000000, 0.0026741000000000, -0.0001819400000000 ] - [ 0.0005237600000000, -0.0008754200000000, -0.0013300700000000 ] - [ -0.0001235600000000, 0.0009546100000000, 0.0001038900000000 ] - [ -0.0091308700000000, 0.0137788800000000, -0.0122130800000000 ] - [ 0.0077657300000000, 0.0135823900000000, 0.0062739500000000 ] - [ 0.0000058600000000, -0.0005811400000000, -0.0004485400000000 ] - [ 0.0002043100000000, 0.0004990000000000, 0.0004327800000000 ] - [ 0.0001063900000000, 0.0009784200000000, 0.0003353500000000 ] - [ 0.0003150700000000, -0.0011538300000000, -0.0001179200000000 ] - [ 0.0002661800000000, -0.0007905200000000, -0.0016766000000000 ] - [ -0.0013261900000000, -0.0005537500000000, 0.0021414600000000 ] - [ 0.0004609600000000, 0.0000045000000000, -0.0008688300000000 ] - [ 0.0007870600000000, -0.0000338500000000, -0.0005893500000000 ] - [ -0.0005779600000000, 0.0012307100000000, 0.0007097100000000 ] - [ -0.0000767000000000, -0.0010165700000000, -0.0004089700000000 ] - [ 0.0009967000000000, 0.0084293400000000, 0.0001264600000000 ] - [ 0.0039290400000000, -0.0068240700000000, -0.0008964100000000 ] - [ -0.0001981800000000, -0.0003537500000000, 0.0013784700000000 ] - [ 0.0009470900000000, 0.0004451700000000, -0.0014776200000000 ] - [ -0.0011822000000000, 0.0029368000000000, 0.0018687700000000 ] - [ 0.0004337200000000, -0.0023003200000000, 0.0002372900000000 ] - [ 0.0006825300000000, 0.0011640700000000, 0.0008633500000000 ] - [ -0.0001695500000000, -0.0010801000000000, -0.0000457300000000 ] - [ -0.0001140800000000, 0.0003036600000000, 0.0010359300000000 ] - [ 0.0008195800000000, -0.0009166400000000, -0.0002308300000000 ] - [ 0.0000320700000000, 0.0129587400000000, -0.0070212800000000 ] - [ 0.0005182000000000, -0.0056816700000000, -0.0027144100000000 ] - [ -0.0002121500000000, 0.0051212800000000, -0.0084791100000000 ] - [ -0.0000696200000000, -0.0058816900000000, 0.0023787600000000 ] - [ -0.0001768900000000, 0.0016963900000000, 0.0004483900000000 ] - [ -0.0005928100000000, -0.0017036200000000, -0.0006639400000000 ] - [ 0.0055092700000000, 0.0139766900000000, 0.0083255500000000 ] - [ 0.0000624200000000, -0.0060779900000000, 0.0016802300000000 ] - [ -0.0005205100000000, 0.0006337400000000, 0.0007160900000000 ] - [ -0.0006978500000000, -0.0005431900000000, 0.0004452000000000 ] - [ -0.0001751600000000, -0.0004164100000000, -0.0006518500000000 ] - [ -0.0004173500000000, -0.0002733000000000, -0.0005690000000000 ] - [ 0.0032599300000000, -0.0012501900000000, 0.0033081600000000 ] - [ -0.0038333000000000, -0.0014750500000000, -0.0023135000000000 ] - [ -0.0029747600000000, -0.0016166700000000, -0.0038638300000000 ] - [ 0.0044961900000000, -0.0014802100000000, 0.0029125300000000 ] - [ -0.0003205800000000, 0.0014756400000000, -0.0010971500000000 ] - [ 0.0004390300000000, -0.0018431300000000, 0.0004768800000000 ] - [ 0.0018599700000000, 0.0010264300000000, 0.0095968200000000 ] - [ 0.0000431600000000, -0.0045777500000000, -0.0025144500000000 ] - [ 0.0001250200000000, -0.0002423000000000, 0.0006533300000000 ] - [ -0.0002557700000000, 0.0007529700000000, -0.0003370300000000 ] - [ -0.0042943600000000, 0.0111307000000000, -0.0005079800000000 ] - [ -0.0021377800000000, -0.0051204900000000, -0.0003966400000000 ] - [ -0.0001692300000000, 0.0015992200000000, -0.0004967400000000 ] - [ -0.0002747900000000, -0.0005912900000000, 0.0002847500000000 ] - [ -0.0003916300000000, 0.0048458400000000, 0.0006509900000000 ] - [ 0.0002606000000000, -0.0016535900000000, 0.0002281700000000 ] - [ 0.0040220100000000, 0.0056528300000000, -0.0002371600000000 ] - [ -0.0009166000000000, -0.0037488200000000, 0.0008617100000000 ] - [ 0.0004160900000000, 0.0015247400000000, -0.0006551800000000 ] - [ 0.0000966900000000, -0.0008263400000000, 0.0001271500000000 ] - [ 0.0003461400000000, 0.0022514600000000, -0.0005440400000000 ] - [ 0.0000279100000000, -0.0022663500000000, 0.0003074700000000 ] - [ -0.0001894900000000, 0.0034520300000000, 0.0003560500000000 ] - [ 0.0002295900000000, -0.0020404300000000, -0.0001815700000000 ] - [ -0.0001157700000000, 0.0004049000000000, -0.0012771100000000 ] - [ -0.0002100700000000, -0.0019099000000000, 0.0001832400000000 ] - [ 0.0000965100000000, 0.0003554800000000, 0.0004494400000000 ] - [ 0.0003340200000000, -0.0008555900000000, 0.0009368400000000 ] - [ 0.0006479600000000, 0.0080188100000000, -0.0012524600000000 ] - [ -0.0003608000000000, -0.0021537500000000, -0.0004487000000000 ] - [ 0.0001528700000000, -0.0000073400000000, -0.0006919100000000 ] - [ -0.0006965500000000, -0.0009925800000000, 0.0002478400000000 ]- atom: 3 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004992400000000, -0.0001914200000000, 0.0023682200000000 ] - [ -0.0006258900000000, -0.0006988300000000, -0.0023433100000000 ] - [ 0.0102368300000000, 0.0930297300000000, 0.0064536600000000 ] - [ 0.0001142300000000, -0.0075536500000000, -0.0002053700000000 ] - [ 0.0001507500000000, 0.0012252700000000, -0.0000629200000000 ] - [ 0.0001696600000000, -0.0012274100000000, -0.0000678500000000 ] - [ -0.0002839600000000, 0.0004542800000000, 0.0000848800000000 ] - [ -0.0000820000000000, -0.0004886600000000, -0.0000014300000000 ] - [ 0.0002214500000000, 0.0010969500000000, -0.0008835600000000 ] - [ -0.0000283800000000, -0.0010672800000000, -0.0001506500000000 ] - [ 0.0049778500000000, -0.0030865100000000, -0.0076572600000000 ] - [ -0.0045834000000000, -0.0034036000000000, 0.0036399600000000 ] - [ -0.0025472600000000, -0.0010169200000000, -0.0000489100000000 ] - [ 0.0014137100000000, -0.0009993700000000, 0.0000475100000000 ] - [ 0.0012179900000000, 0.0064427700000000, 0.0016084700000000 ] - [ 0.0000201600000000, -0.0036188400000000, -0.0005155000000000 ] - [ -0.0060093100000000, -0.0045687300000000, 0.0105219800000000 ] - [ 0.0041521300000000, -0.0041833400000000, -0.0055614700000000 ] - [ 0.0001515700000000, 0.0010050700000000, 0.0006082200000000 ] - [ 0.0001964300000000, -0.0009505900000000, 0.0002167700000000 ] - [ -0.0018362800000000, 0.0059932100000000, -0.0002464600000000 ] - [ 0.0003904400000000, -0.0034577700000000, 0.0004313000000000 ] - [ -0.0006341000000000, -0.0002832100000000, -0.0027156000000000 ] - [ 0.0005249200000000, -0.0009060300000000, 0.0028500100000000 ] - [ 0.0008717900000000, 0.0076976500000000, -0.0040098400000000 ] - [ 0.0000503700000000, -0.0028446300000000, 0.0001822100000000 ] - [ -0.0002660500000000, 0.0075391300000000, 0.0032397600000000 ] - [ 0.0003401000000000, -0.0030966300000000, -0.0006837000000000 ] - [ -0.0012146600000000, 0.0003487500000000, -0.0006997700000000 ] - [ 0.0006439500000000, -0.0001849300000000, 0.0011270900000000 ] - [ 0.0006763100000000, 0.0004891700000000, 0.0010763300000000 ] - [ -0.0009374500000000, -0.0006801400000000, -0.0006182500000000 ] - [ 0.0003550200000000, 0.0009436600000000, 0.0007320900000000 ] - [ -0.0004341200000000, -0.0013697900000000, 0.0004216500000000 ] - [ -0.0008460700000000, 0.0013486400000000, -0.0012184100000000 ] - [ 0.0001439700000000, -0.0007890500000000, -0.0007046700000000 ] - [ -0.0094406900000000, -0.0194634000000000, -0.0205418900000000 ] - [ 0.0082813600000000, -0.0158124900000000, 0.0072159700000000 ] - [ 0.0013176100000000, 0.0077143900000000, -0.0024556100000000 ] - [ 0.0001980900000000, -0.0037258400000000, 0.0010061100000000 ] - [ 0.0007995300000000, 0.0013184000000000, 0.0000531400000000 ] - [ -0.0003908500000000, -0.0009249800000000, 0.0016696700000000 ] - [ -0.0000139600000000, 0.0044580300000000, 0.0002151800000000 ] - [ -0.0004483800000000, -0.0034204100000000, -0.0015103200000000 ] - [ -0.0003297500000000, 0.0005808700000000, 0.0002033700000000 ] - [ 0.0003149000000000, -0.0012335600000000, -0.0012279100000000 ] - [ 0.0094130900000000, -0.0144564800000000, 0.0137948200000000 ] - [ -0.0074011400000000, -0.0143263900000000, -0.0046798700000000 ] - [ 0.0002913800000000, 0.0005769500000000, 0.0004691800000000 ] - [ 0.0000925600000000, -0.0005064400000000, -0.0004102700000000 ] - [ 0.0003917000000000, -0.0012346000000000, 0.0000428100000000 ] - [ 0.0001807900000000, 0.0008922500000000, 0.0004988900000000 ] - [ -0.0007621500000000, 0.0005349400000000, 0.0012920200000000 ] - [ 0.0008291600000000, 0.0002893800000000, -0.0025226800000000 ] - [ 0.0007546600000000, 0.0000629500000000, -0.0002465500000000 ] - [ 0.0004304300000000, 0.0000962000000000, -0.0005278600000000 ] - [ 0.0002773700000000, -0.0012302900000000, -0.0007364100000000 ] - [ -0.0002207300000000, 0.0010087600000000, 0.0003883300000000 ] - [ 0.0006693600000000, -0.0078447900000000, -0.0012003600000000 ] - [ -0.0027590600000000, 0.0068169600000000, -0.0002346300000000 ] - [ 0.0006361500000000, 0.0012415600000000, -0.0010773400000000 ] - [ -0.0005087000000000, 0.0004291700000000, 0.0017698800000000 ] - [ 0.0016610500000000, -0.0023612900000000, -0.0002782800000000 ] - [ 0.0000460300000000, 0.0028949800000000, 0.0013584800000000 ] - [ -0.0001898800000000, -0.0009091700000000, -0.0004774600000000 ] - [ 0.0006650300000000, 0.0013423900000000, 0.0004235700000000 ] - [ 0.0010333500000000, -0.0010294600000000, -0.0002800600000000 ] - [ 0.0000984900000000, 0.0001777100000000, 0.0009888100000000 ] - [ -0.0002330100000000, -0.0134850100000000, 0.0076427600000000 ] - [ -0.0008200700000000, 0.0056830500000000, 0.0026655600000000 ] - [ 0.0006768200000000, -0.0058730000000000, 0.0088111800000000 ] - [ 0.0005106400000000, 0.0049850100000000, -0.0021045200000000 ] - [ -0.0007444700000000, -0.0024297400000000, -0.0012031100000000 ] - [ -0.0003303200000000, 0.0009701400000000, -0.0000978300000000 ] - [ -0.0056354000000000, -0.0150841000000000, -0.0091873100000000 ] - [ 0.0001864700000000, 0.0054047000000000, -0.0019446200000000 ] - [ -0.0006954200000000, -0.0005684400000000, 0.0003934900000000 ] - [ -0.0005190300000000, 0.0006068100000000, 0.0006704100000000 ] - [ -0.0003025400000000, -0.0001690700000000, -0.0009425500000000 ] - [ -0.0000611500000000, -0.0003165900000000, -0.0010245900000000 ] - [ -0.0038636500000000, 0.0022689700000000, -0.0036595900000000 ] - [ 0.0032173100000000, 0.0024730800000000, 0.0019679000000000 ] - [ 0.0038900600000000, 0.0023526200000000, 0.0046004300000000 ] - [ -0.0035824400000000, 0.0022005200000000, -0.0021725600000000 ] - [ 0.0009269500000000, -0.0024908900000000, 0.0014465700000000 ] - [ 0.0001709300000000, 0.0008253100000000, -0.0001203200000000 ] - [ -0.0023642300000000, -0.0006815200000000, -0.0099486600000000 ] - [ -0.0005328000000000, 0.0048213000000000, 0.0021477000000000 ] - [ -0.0003598200000000, 0.0009189200000000, -0.0003712500000000 ] - [ 0.0000207900000000, -0.0000821500000000, 0.0006171500000000 ] - [ 0.0033219600000000, -0.0100471700000000, -0.0011039300000000 ] - [ 0.0016828400000000, 0.0057294900000000, -0.0011837500000000 ] - [ -0.0002685700000000, -0.0007133500000000, 0.0002022800000000 ] - [ -0.0001639000000000, 0.0014742200000000, -0.0005835300000000 ] - [ 0.0009808900000000, -0.0038315800000000, -0.0002757900000000 ] - [ 0.0003525700000000, 0.0026709800000000, 0.0001199300000000 ] - [ -0.0051626300000000, -0.0057673500000000, 0.0013649300000000 ] - [ -0.0003071400000000, 0.0036984900000000, 0.0002545400000000 ] - [ -0.0001791200000000, -0.0008476300000000, 0.0003749400000000 ] - [ 0.0001405000000000, 0.0014968700000000, -0.0004119100000000 ] - [ -0.0005836000000000, -0.0029142100000000, 0.0008254900000000 ] - [ -0.0002600800000000, 0.0015868800000000, -0.0000261100000000 ] - [ 0.0004945300000000, -0.0034232800000000, -0.0003290100000000 ] - [ 0.0000604600000000, 0.0020406600000000, 0.0002086100000000 ] - [ -0.0003060200000000, -0.0013070200000000, 0.0009701500000000 ] - [ -0.0002327400000000, 0.0010304000000000, -0.0004746600000000 ] - [ 0.0003815900000000, -0.0009412500000000, 0.0011429800000000 ] - [ 0.0001439000000000, 0.0002656800000000, 0.0006589200000000 ] - [ -0.0015242100000000, -0.0072888900000000, 0.0004434800000000 ] - [ -0.0005611800000000, 0.0028885700000000, -0.0002973300000000 ] - [ -0.0007610300000000, -0.0010053600000000, 0.0003381800000000 ] - [ 0.0000886200000000, -0.0000282700000000, -0.0006025700000000 ]- atom: 3 displacement: [ -0.0004120271249244, 0.0000000000000000, 0.0099915080767783 ] forces: - [ 0.0009611400000000, -0.0015623700000000, 0.0037070500000000 ] - [ 0.0002406100000000, 0.0009124300000000, 0.0022489100000000 ] - [ -0.0159714100000000, -0.0056075300000000, -0.0771864400000000 ] - [ -0.0009859000000000, 0.0001797300000000, -0.0034069900000000 ] - [ 0.0002524500000000, -0.0000492100000000, 0.0034042900000000 ] - [ 0.0003209000000000, -0.0000532600000000, 0.0020087000000000 ] - [ -0.0000777400000000, -0.0000720800000000, 0.0020955700000000 ] - [ -0.0000459500000000, 0.0000176400000000, 0.0018047800000000 ] - [ -0.0016722500000000, 0.0001924000000000, 0.0036537300000000 ] - [ -0.0001694000000000, -0.0001881500000000, 0.0004351800000000 ] - [ -0.0053823000000000, 0.0054965600000000, -0.0006564200000000 ] - [ -0.0035435700000000, -0.0041616300000000, -0.0012492800000000 ] - [ 0.0004680700000000, -0.0000334200000000, -0.0026605800000000 ] - [ 0.0003000400000000, 0.0000395400000000, -0.0026675600000000 ] - [ 0.0098640100000000, -0.0012075300000000, 0.0025918300000000 ] - [ 0.0009578200000000, 0.0000539800000000, -0.0007935600000000 ] - [ -0.0057467500000000, -0.0085486500000000, 0.0012621300000000 ] - [ -0.0032470800000000, 0.0055658400000000, 0.0001888700000000 ] - [ -0.0007352600000000, 0.0000382400000000, 0.0032744500000000 ] - [ -0.0000385400000000, 0.0001641400000000, 0.0013602200000000 ] - [ 0.0061132300000000, -0.0003648100000000, -0.0003096000000000 ] - [ 0.0009236700000000, 0.0000166900000000, -0.0006039000000000 ] - [ 0.0009935700000000, 0.0019632500000000, 0.0052297600000000 ] - [ 0.0005349200000000, -0.0010788400000000, 0.0031934900000000 ] - [ 0.0015227800000000, 0.0023674600000000, 0.0165500900000000 ] - [ -0.0002193600000000, 0.0000077600000000, 0.0004205000000000 ] - [ -0.0022903500000000, -0.0028544300000000, 0.0141441000000000 ] - [ -0.0003550200000000, 0.0001334700000000, 0.0006939600000000 ] - [ 0.0003096300000000, 0.0005558100000000, 0.0009394400000000 ] - [ 0.0003322900000000, -0.0005502200000000, 0.0009427200000000 ] - [ -0.0000432400000000, -0.0008022800000000, 0.0007078700000000 ] - [ 0.0003285400000000, 0.0007062600000000, 0.0007825800000000 ] - [ 0.0014679300000000, 0.0000078600000000, 0.0043393200000000 ] - [ 0.0001842900000000, 0.0000207200000000, 0.0026258400000000 ] - [ 0.0013733500000000, 0.0002186100000000, 0.0023612800000000 ] - [ 0.0001544100000000, -0.0000082700000000, 0.0009379300000000 ] - [ 0.0116457600000000, 0.0196452400000000, -0.0069280800000000 ] - [ 0.0078751900000000, -0.0129214600000000, -0.0045861500000000 ] - [ -0.0147674000000000, 0.0024806000000000, -0.0095592100000000 ] - [ 0.0000580700000000, 0.0001628900000000, -0.0021312200000000 ] - [ -0.0007362600000000, 0.0014849300000000, 0.0040011100000000 ] - [ -0.0007378300000000, -0.0004135200000000, 0.0037455300000000 ] - [ -0.0066812200000000, -0.0009594800000000, -0.0067174300000000 ] - [ -0.0002499800000000, -0.0006861700000000, -0.0029796500000000 ] - [ -0.0008586900000000, -0.0014629000000000, 0.0029136800000000 ] - [ -0.0009030400000000, 0.0011735200000000, 0.0023834800000000 ] - [ 0.0097930300000000, -0.0109838600000000, -0.0064370800000000 ] - [ 0.0057317300000000, 0.0122890500000000, -0.0019024400000000 ] - [ -0.0000009900000000, -0.0001862300000000, -0.0010347900000000 ] - [ -0.0002528100000000, 0.0003285300000000, -0.0013777000000000 ] - [ 0.0001486400000000, 0.0000136600000000, -0.0010026200000000 ] - [ 0.0000726100000000, -0.0004127500000000, -0.0004754200000000 ] - [ 0.0007628900000000, -0.0011461000000000, -0.0020762800000000 ] - [ 0.0007627800000000, 0.0015468700000000, -0.0031622600000000 ] - [ 0.0008756000000000, 0.0002490600000000, -0.0036774100000000 ] - [ 0.0009235100000000, 0.0000532300000000, -0.0032023600000000 ] - [ 0.0004639100000000, 0.0006057800000000, -0.0031719500000000 ] - [ 0.0000713700000000, -0.0004439200000000, -0.0011793000000000 ] - [ -0.0025296100000000, -0.0027647700000000, 0.0123987700000000 ] - [ -0.0003076200000000, 0.0013230600000000, 0.0054103500000000 ] - [ 0.0009264200000000, 0.0012799300000000, -0.0015932400000000 ] - [ 0.0009234100000000, -0.0014824000000000, -0.0030460300000000 ] - [ 0.0006701700000000, 0.0008703100000000, 0.0056328600000000 ] - [ -0.0000215800000000, 0.0004015900000000, 0.0026658000000000 ] - [ 0.0010736300000000, 0.0010661900000000, 0.0009135600000000 ] - [ -0.0001695600000000, -0.0002812200000000, 0.0006132900000000 ] - [ 0.0008903700000000, 0.0005920900000000, -0.0012207500000000 ] - [ 0.0007238200000000, -0.0009751900000000, -0.0006226000000000 ] - [ 0.0000164300000000, -0.0073698800000000, 0.0180515500000000 ] - [ -0.0001532400000000, -0.0036015900000000, 0.0022719200000000 ] - [ -0.0028360900000000, -0.0076302400000000, -0.0001328700000000 ] - [ -0.0000974900000000, 0.0033906400000000, -0.0000603900000000 ] - [ -0.0023877000000000, 0.0002875000000000, -0.0042318100000000 ] - [ -0.0009590100000000, -0.0006425300000000, -0.0016048800000000 ] - [ 0.0057495100000000, 0.0075875400000000, 0.0178727500000000 ] - [ -0.0001233200000000, 0.0022874400000000, 0.0021949500000000 ] - [ -0.0006713000000000, -0.0001205400000000, -0.0027342200000000 ] - [ -0.0005321800000000, -0.0001091400000000, -0.0010597000000000 ] - [ -0.0000333500000000, -0.0004658300000000, -0.0036129800000000 ] - [ -0.0000310000000000, -0.0004107800000000, -0.0033859200000000 ] - [ -0.0027414000000000, 0.0019782200000000, 0.0009776700000000 ] - [ -0.0031858400000000, -0.0021361300000000, -0.0009047000000000 ] - [ -0.0030682000000000, -0.0022868100000000, 0.0013687800000000 ] - [ -0.0028503300000000, 0.0028553900000000, 0.0000893700000000 ] - [ -0.0017765000000000, -0.0009486100000000, -0.0029351400000000 ] - [ -0.0002388700000000, -0.0003092600000000, -0.0007357500000000 ] - [ -0.0054182900000000, 0.0099045900000000, -0.0054100100000000 ] - [ -0.0000893700000000, -0.0036855000000000, -0.0009317000000000 ] - [ -0.0003543500000000, 0.0005965600000000, -0.0007817200000000 ] - [ -0.0005913500000000, -0.0001240500000000, -0.0011079900000000 ] - [ -0.0021674200000000, 0.0019143000000000, 0.0102894300000000 ] - [ -0.0004168700000000, -0.0018285700000000, 0.0043383500000000 ] - [ -0.0007392100000000, 0.0004012300000000, -0.0018031800000000 ] - [ -0.0004056300000000, 0.0007576000000000, -0.0011482700000000 ] - [ 0.0084976600000000, 0.0008094900000000, -0.0023401400000000 ] - [ 0.0009457600000000, 0.0005289700000000, 0.0007616900000000 ] - [ -0.0015613900000000, -0.0006119900000000, 0.0108934900000000 ] - [ -0.0010466100000000, -0.0003534300000000, 0.0025238200000000 ] - [ 0.0007577400000000, -0.0000848100000000, -0.0028990500000000 ] - [ 0.0002802800000000, 0.0007418500000000, -0.0012771700000000 ] - [ 0.0009403400000000, -0.0012701200000000, 0.0018261500000000 ] - [ -0.0002472700000000, 0.0000781700000000, 0.0011437900000000 ] - [ 0.0022279300000000, 0.0013220100000000, 0.0027340300000000 ] - [ -0.0002010800000000, -0.0003990100000000, 0.0012035100000000 ] - [ 0.0023280000000000, -0.0022398500000000, 0.0017816800000000 ] - [ -0.0002627300000000, 0.0002034200000000, 0.0007714000000000 ] - [ 0.0000360800000000, -0.0000763700000000, -0.0019276000000000 ] - [ 0.0002190800000000, -0.0001370400000000, -0.0007138200000000 ] - [ 0.0097645600000000, 0.0000406100000000, -0.0025734400000000 ] - [ 0.0002190400000000, 0.0002980900000000, 0.0005830800000000 ] - [ 0.0000137000000000, -0.0010909500000000, -0.0012523800000000 ] - [ -0.0000646000000000, -0.0000129100000000, -0.0010773200000000 ]- atom: 3 displacement: [ 0.0004120271249244, 0.0000000000000000, -0.0099915080767783 ] forces: - [ -0.0012950400000000, 0.0016054700000000, -0.0043329200000000 ] - [ -0.0005689400000000, -0.0008822900000000, -0.0028653800000000 ] - [ 0.0163147000000000, 0.0068390700000000, 0.0767738000000000 ] - [ 0.0013313200000000, -0.0001033000000000, 0.0033004900000000 ] - [ 0.0000906800000000, -0.0000434600000000, -0.0035080300000000 ] - [ 0.0000228500000000, -0.0000363600000000, -0.0021138600000000 ] - [ -0.0002645300000000, -0.0000156700000000, -0.0019892700000000 ] - [ -0.0002968300000000, -0.0001110200000000, -0.0016984900000000 ] - [ 0.0018231400000000, -0.0000845000000000, -0.0043206000000000 ] - [ 0.0003121700000000, 0.0002972100000000, -0.0010934400000000 ] - [ 0.0050261500000000, -0.0054965400000000, -0.0000084600000000 ] - [ 0.0032067500000000, 0.0041094900000000, 0.0006164900000000 ] - [ -0.0008259300000000, 0.0001161900000000, 0.0027622100000000 ] - [ -0.0006465900000000, 0.0000590900000000, 0.0027690800000000 ] - [ -0.0096483700000000, 0.0010940600000000, -0.0032612600000000 ] - [ -0.0008162600000000, -0.0001678900000000, 0.0001215300000000 ] - [ 0.0056441800000000, 0.0084987700000000, -0.0005655200000000 ] - [ 0.0031162700000000, -0.0056999800000000, 0.0004841900000000 ] - [ 0.0010562100000000, -0.0000028900000000, -0.0026443000000000 ] - [ 0.0003637000000000, -0.0001298800000000, -0.0007404300000000 ] - [ -0.0057981300000000, 0.0003361600000000, 0.0009621500000000 ] - [ -0.0005965800000000, -0.0000569600000000, 0.0012334200000000 ] - [ -0.0011289100000000, -0.0018427400000000, -0.0045625900000000 ] - [ -0.0006754600000000, 0.0011820400000000, -0.0025349400000000 ] - [ -0.0011114600000000, -0.0022040800000000, -0.0172053500000000 ] - [ 0.0006566800000000, 0.0001895200000000, -0.0008390200000000 ] - [ 0.0027027800000000, 0.0026132800000000, -0.0143883000000000 ] - [ 0.0007913600000000, -0.0003425600000000, -0.0011258100000000 ] - [ -0.0007469200000000, -0.0003472500000000, -0.0005184300000000 ] - [ -0.0007689900000000, 0.0007508300000000, -0.0005183200000000 ] - [ -0.0003892600000000, 0.0006055000000000, -0.0002758000000000 ] - [ -0.0007646100000000, -0.0009075200000000, -0.0003519500000000 ] - [ -0.0016590900000000, -0.0002920600000000, -0.0032066800000000 ] - [ -0.0003862300000000, -0.0003073600000000, -0.0015001600000000 ] - [ -0.0018096200000000, 0.0005253700000000, -0.0040378400000000 ] - [ -0.0005820700000000, 0.0007510100000000, -0.0026109700000000 ] - [ -0.0113716400000000, -0.0192654600000000, 0.0056292200000000 ] - [ -0.0076536100000000, 0.0131757400000000, 0.0034499600000000 ] - [ 0.0146047900000000, -0.0021915100000000, 0.0107818400000000 ] - [ -0.0002617900000000, 0.0001171200000000, 0.0032749400000000 ] - [ 0.0011592100000000, -0.0007324400000000, -0.0023256000000000 ] - [ 0.0011604800000000, 0.0011484200000000, -0.0020680700000000 ] - [ 0.0062213600000000, 0.0002252700000000, 0.0049786700000000 ] - [ -0.0001782100000000, -0.0000616700000000, 0.0012907200000000 ] - [ 0.0010683200000000, 0.0011858100000000, -0.0040434800000000 ] - [ 0.0011100600000000, -0.0014681700000000, -0.0035119600000000 ] - [ -0.0094150400000000, 0.0102538300000000, 0.0082811600000000 ] - [ -0.0053173800000000, -0.0130468700000000, 0.0035655900000000 ] - [ 0.0003119700000000, 0.0001915700000000, 0.0010538800000000 ] - [ 0.0005609400000000, -0.0003202000000000, 0.0013944800000000 ] - [ 0.0003646500000000, -0.0002759300000000, 0.0013812800000000 ] - [ 0.0004384900000000, 0.0001539700000000, 0.0008560400000000 ] - [ -0.0012728900000000, 0.0008806300000000, 0.0016946200000000 ] - [ -0.0012720700000000, -0.0017962100000000, 0.0027724100000000 ] - [ 0.0003325900000000, -0.0001888600000000, 0.0025753600000000 ] - [ 0.0002844300000000, 0.0000136200000000, 0.0020974600000000 ] - [ -0.0007788000000000, -0.0006060900000000, 0.0031623000000000 ] - [ -0.0003821800000000, 0.0004533000000000, 0.0011598600000000 ] - [ 0.0037679500000000, 0.0027272000000000, -0.0134512700000000 ] - [ 0.0015120400000000, -0.0013885000000000, -0.0065060400000000 ] - [ -0.0004991800000000, -0.0004088700000000, 0.0018897500000000 ] - [ -0.0004973800000000, 0.0023695100000000, 0.0033527200000000 ] - [ -0.0001710400000000, -0.0003056500000000, -0.0040350500000000 ] - [ 0.0005276500000000, 0.0001826800000000, -0.0010788700000000 ] - [ -0.0005543000000000, -0.0008010900000000, -0.0005184100000000 ] - [ 0.0006797100000000, 0.0005409400000000, -0.0002218300000000 ] - [ 0.0000189900000000, -0.0013247400000000, 0.0019712800000000 ] - [ 0.0001867700000000, 0.0002492100000000, 0.0013743300000000 ] - [ -0.0002182500000000, 0.0066929200000000, -0.0174097400000000 ] - [ -0.0001653500000000, 0.0035892800000000, -0.0022587100000000 ] - [ 0.0033080600000000, 0.0068870900000000, 0.0008789000000000 ] - [ 0.0005236100000000, -0.0042670800000000, 0.0003583400000000 ] - [ 0.0014614500000000, -0.0010129100000000, 0.0034627400000000 ] - [ 0.0000444600000000, -0.0000858000000000, 0.0008535800000000 ] - [ -0.0059135500000000, -0.0088418700000000, -0.0186625500000000 ] - [ 0.0003542400000000, -0.0029506800000000, -0.0025098100000000 ] - [ -0.0005422800000000, 0.0001826900000000, 0.0038358800000000 ] - [ -0.0006793700000000, 0.0001736100000000, 0.0021655600000000 ] - [ -0.0004739200000000, -0.0001098600000000, 0.0020306800000000 ] - [ -0.0004749800000000, -0.0001590900000000, 0.0018036500000000 ] - [ 0.0021294300000000, -0.0009653400000000, -0.0013712800000000 ] - [ 0.0025607700000000, 0.0031475000000000, 0.0005418500000000 ] - [ 0.0039728600000000, 0.0030032800000000, -0.0005845000000000 ] - [ 0.0037613700000000, -0.0021180400000000, 0.0006679100000000 ] - [ 0.0024045500000000, -0.0000613100000000, 0.0033032700000000 ] - [ 0.0008556400000000, -0.0007053000000000, 0.0010930200000000 ] - [ 0.0049355500000000, -0.0096991400000000, 0.0049453800000000 ] - [ -0.0004167700000000, 0.0039421300000000, 0.0005454100000000 ] - [ 0.0001303400000000, 0.0000702500000000, 0.0010633900000000 ] - [ 0.0003700800000000, 0.0007934700000000, 0.0013916100000000 ] - [ 0.0016663500000000, -0.0013447800000000, -0.0119074700000000 ] - [ -0.0000894000000000, 0.0024092200000000, -0.0059230000000000 ] - [ 0.0003075000000000, 0.0004707300000000, 0.0015054200000000 ] - [ -0.0000233600000000, 0.0001203100000000, 0.0008512100000000 ] - [ -0.0078006700000000, 0.0002039800000000, 0.0027033800000000 ] - [ -0.0003265900000000, 0.0004886400000000, -0.0003946200000000 ] - [ 0.0003701000000000, 0.0005296300000000, -0.0097889900000000 ] - [ -0.0001575000000000, 0.0003062700000000, -0.0014213400000000 ] - [ -0.0005299300000000, 0.0007455500000000, 0.0026057900000000 ] - [ -0.0000560000000000, -0.0000695100000000, 0.0009922500000000 ] - [ -0.0011587400000000, 0.0005916500000000, -0.0015219000000000 ] - [ 0.0000244500000000, -0.0007422900000000, -0.0008514200000000 ] - [ -0.0019242700000000, -0.0013358600000000, -0.0027368800000000 ] - [ 0.0005117200000000, 0.0003963200000000, -0.0011909300000000 ] - [ -0.0027701500000000, 0.0013680500000000, -0.0020925400000000 ] - [ -0.0001664300000000, -0.0010795500000000, -0.0010768200000000 ] - [ 0.0004749200000000, -0.0004989500000000, 0.0035102900000000 ] - [ 0.0002899200000000, -0.0004349300000000, 0.0022949900000000 ] - [ -0.0106218100000000, 0.0006757300000000, 0.0015980600000000 ] - [ -0.0011332300000000, 0.0004344300000000, -0.0013431100000000 ] - [ -0.0006284200000000, 0.0000718900000000, 0.0008938000000000 ] - [ -0.0005504000000000, -0.0009976400000000, 0.0007167500000000 ]- atom: 9 displacement: [ 0.0099999999631191, 0.0000000000000000, -0.0000008588465536 ] forces: - [ 0.0059039600000000, 0.0004868100000000, -0.0009762800000000 ] - [ 0.0066903000000000, -0.0009443400000000, 0.0001592400000000 ] - [ 0.0013073200000000, -0.0001100300000000, -0.0017597200000000 ] - [ 0.0003331600000000, 0.0001451600000000, -0.0002918400000000 ] - [ 0.0066284200000000, 0.0011114400000000, 0.0099218200000000 ] - [ 0.0007200600000000, -0.0000991400000000, 0.0008503800000000 ] - [ -0.0022314600000000, 0.0059192400000000, -0.0057420900000000 ] - [ -0.0030476100000000, -0.0042569200000000, -0.0032493500000000 ] - [ -0.0646677600000000, -0.0116152000000000, 0.0035704500000000 ] - [ -0.0017221900000000, 0.0000845100000000, -0.0004979900000000 ] - [ 0.0001622600000000, 0.0000478100000000, -0.0002273600000000 ] - [ 0.0002054800000000, -0.0000925000000000, -0.0001652000000000 ] - [ -0.0005223800000000, 0.0006404100000000, 0.0006500000000000 ] - [ -0.0004956200000000, -0.0005157200000000, 0.0011035300000000 ] - [ -0.0003592900000000, -0.0000293500000000, -0.0006144100000000 ] - [ -0.0002215200000000, -0.0000017700000000, -0.0003524300000000 ] - [ -0.0008760300000000, -0.0037782500000000, -0.0022522000000000 ] - [ -0.0011804700000000, 0.0052985000000000, -0.0055413300000000 ] - [ 0.0010163600000000, -0.0002901300000000, -0.0017795700000000 ] - [ 0.0005104100000000, -0.0000455800000000, 0.0000455000000000 ] - [ 0.0051607700000000, -0.0011240800000000, 0.0072357900000000 ] - [ 0.0005481000000000, 0.0000669200000000, 0.0007209500000000 ] - [ -0.0005403600000000, 0.0002082000000000, 0.0010562400000000 ] - [ -0.0005430000000000, 0.0001494600000000, 0.0015533500000000 ] - [ 0.0176770000000000, -0.0010431000000000, -0.0069381100000000 ] - [ 0.0012208800000000, 0.0002174700000000, -0.0009882600000000 ] - [ 0.0003606600000000, -0.0001127100000000, 0.0000438000000000 ] - [ 0.0003485500000000, -0.0000936700000000, -0.0000755800000000 ] - [ -0.0003525400000000, 0.0002798100000000, 0.0000600800000000 ] - [ -0.0002965800000000, -0.0001413400000000, -0.0000020500000000 ] - [ -0.0018094800000000, 0.0097709100000000, 0.0038755500000000 ] - [ -0.0005445300000000, -0.0092420500000000, 0.0047822400000000 ] - [ -0.0019001300000000, -0.0003641400000000, -0.0007244700000000 ] - [ -0.0011852400000000, -0.0001162300000000, 0.0010300100000000 ] - [ 0.0308156500000000, -0.0014567700000000, -0.0112588300000000 ] - [ 0.0013867200000000, 0.0007461400000000, -0.0007633700000000 ] - [ 0.0000277500000000, -0.0000423800000000, -0.0010485200000000 ] - [ -0.0000508300000000, 0.0000726100000000, -0.0008791800000000 ] - [ -0.0166562400000000, 0.0025044100000000, 0.0004193900000000 ] - [ -0.0014776300000000, 0.0000992500000000, 0.0003383000000000 ] - [ 0.0017441600000000, 0.0004072600000000, 0.0011987400000000 ] - [ 0.0012058300000000, 0.0004114100000000, 0.0009635700000000 ] - [ -0.0000190100000000, 0.0000352700000000, -0.0001985800000000 ] - [ -0.0000000600000000, -0.0003550800000000, -0.0006834400000000 ] - [ -0.0050529300000000, -0.0173410400000000, 0.0026568900000000 ] - [ -0.0040956900000000, 0.0161462800000000, 0.0050028800000000 ] - [ 0.0032654100000000, -0.0012169700000000, 0.0007938500000000 ] - [ 0.0033334000000000, -0.0000532700000000, 0.0010103600000000 ] - [ 0.0007744700000000, -0.0006138100000000, 0.0003672300000000 ] - [ 0.0013155100000000, -0.0000400100000000, 0.0008101100000000 ] - [ 0.0159880200000000, 0.0063811700000000, 0.0008608500000000 ] - [ 0.0008424600000000, 0.0008857400000000, -0.0001282900000000 ] - [ -0.0005009200000000, -0.0000563700000000, -0.0004358600000000 ] - [ -0.0007098500000000, -0.0002345100000000, -0.0005002300000000 ] - [ 0.0024908600000000, 0.0015200400000000, -0.0026215600000000 ] - [ 0.0025196200000000, -0.0024700200000000, -0.0046417900000000 ] - [ -0.0071794500000000, 0.0092872300000000, -0.0042237500000000 ] - [ -0.0002189400000000, -0.0032613400000000, -0.0004638200000000 ] - [ 0.0009592200000000, 0.0004316400000000, 0.0004361700000000 ] - [ 0.0008106900000000, -0.0001666200000000, 0.0003577400000000 ] - [ 0.0008700400000000, 0.0030677900000000, 0.0010469900000000 ] - [ -0.0043812700000000, -0.0087049300000000, -0.0015037100000000 ] - [ 0.0001397200000000, 0.0004827800000000, -0.0006330800000000 ] - [ 0.0001318800000000, 0.0001823400000000, 0.0005821000000000 ] - [ 0.0004580600000000, 0.0001724600000000, 0.0002479500000000 ] - [ 0.0002776000000000, 0.0000788800000000, 0.0001691700000000 ] - [ 0.0102877900000000, 0.0006452100000000, 0.0012529300000000 ] - [ 0.0077836700000000, -0.0022140200000000, 0.0010549900000000 ] - [ -0.0001319200000000, -0.0000628900000000, 0.0001804900000000 ] - [ -0.0002076400000000, 0.0000691800000000, 0.0000695700000000 ] - [ 0.0001731400000000, -0.0004272400000000, 0.0002507700000000 ] - [ 0.0001453500000000, -0.0005139300000000, 0.0001045700000000 ] - [ 0.0005351600000000, 0.0000132600000000, -0.0002307700000000 ] - [ -0.0000908100000000, -0.0003294400000000, -0.0005937500000000 ] - [ -0.0026696700000000, -0.0007948100000000, 0.0006561400000000 ] - [ -0.0008682300000000, -0.0003629900000000, 0.0000502400000000 ] - [ 0.0053673500000000, 0.0003585500000000, 0.0005180800000000 ] - [ 0.0005458300000000, 0.0001874100000000, 0.0002680800000000 ] - [ -0.0016118300000000, -0.0001617400000000, -0.0012625700000000 ] - [ -0.0029195800000000, -0.0005274800000000, -0.0009325700000000 ] - [ -0.0027754400000000, -0.0010215800000000, -0.0018936700000000 ] - [ -0.0026846200000000, 0.0016275600000000, -0.0019160500000000 ] - [ 0.0008264900000000, 0.0003747600000000, 0.0005345600000000 ] - [ 0.0008853000000000, 0.0004514000000000, 0.0004778200000000 ] - [ -0.0102117000000000, 0.0004117700000000, -0.0009762700000000 ] - [ -0.0009914000000000, -0.0006111500000000, -0.0000234700000000 ] - [ -0.0031239900000000, 0.0014288700000000, 0.0011633800000000 ] - [ -0.0020067300000000, -0.0004327800000000, 0.0006672000000000 ] - [ -0.0003631800000000, -0.0021318800000000, 0.0005849900000000 ] - [ -0.0092391800000000, 0.0099064200000000, 0.0039498400000000 ] - [ -0.0011053700000000, 0.0004822300000000, -0.0006842800000000 ] - [ -0.0009133600000000, 0.0003371300000000, -0.0008388600000000 ] - [ 0.0004863100000000, 0.0004973100000000, 0.0001465700000000 ] - [ 0.0002029800000000, 0.0006247300000000, 0.0000479000000000 ] - [ -0.0001808800000000, 0.0004045000000000, 0.0000067200000000 ] - [ 0.0000681400000000, 0.0005109200000000, 0.0000692700000000 ] - [ 0.0020581400000000, -0.0009310100000000, 0.0012930800000000 ] - [ -0.0001883900000000, -0.0000821900000000, 0.0005882600000000 ] - [ -0.0011900500000000, 0.0008636000000000, -0.0010565500000000 ] - [ -0.0003951400000000, 0.0004268800000000, -0.0003833900000000 ] - [ -0.0001334100000000, -0.0004684500000000, -0.0000638700000000 ] - [ -0.0001983500000000, -0.0001783200000000, 0.0000031500000000 ] - [ 0.0043142800000000, -0.0010673200000000, -0.0035273400000000 ] - [ 0.0009205100000000, 0.0007728900000000, -0.0001677500000000 ] - [ 0.0090175900000000, -0.0018015300000000, -0.0018028500000000 ] - [ 0.0007586400000000, -0.0008037100000000, -0.0000922400000000 ] - [ -0.0032381600000000, -0.0014103200000000, 0.0073704100000000 ] - [ -0.0003145900000000, 0.0001288400000000, 0.0013283900000000 ] - [ 0.0096545600000000, -0.0003557400000000, 0.0020548000000000 ] - [ 0.0002743500000000, 0.0001265100000000, 0.0002612700000000 ] - [ -0.0009879200000000, -0.0008495200000000, -0.0000380300000000 ] - [ -0.0008758000000000, -0.0004198600000000, -0.0002281300000000 ]- atom: 9 displacement: [ -0.0099999999631191, 0.0000000000000000, 0.0000008588465536 ] forces: - [ -0.0062382000000000, -0.0004349300000000, 0.0003472500000000 ] - [ -0.0070144600000000, 0.0009569000000000, -0.0007885800000000 ] - [ -0.0009595400000000, 0.0002045200000000, 0.0016516800000000 ] - [ 0.0000086500000000, -0.0000511300000000, 0.0001828200000000 ] - [ -0.0063012900000000, -0.0012162700000000, -0.0101330800000000 ] - [ -0.0003768100000000, 0.0000041900000000, -0.0009642900000000 ] - [ 0.0018326500000000, -0.0060111500000000, 0.0058211500000000 ] - [ 0.0026741100000000, 0.0041608000000000, 0.0033496200000000 ] - [ 0.0637633500000000, 0.0111432300000000, -0.0046983100000000 ] - [ 0.0018568100000000, 0.0000080000000000, -0.0001538700000000 ] - [ -0.0004991600000000, -0.0000800400000000, -0.0004003900000000 ] - [ -0.0005419100000000, 0.0000609600000000, -0.0004621200000000 ] - [ 0.0001821100000000, -0.0005481100000000, -0.0005370900000000 ] - [ 0.0001526000000000, 0.0006144600000000, -0.0009984500000000 ] - [ 0.0004955100000000, -0.0000618800000000, -0.0000272900000000 ] - [ 0.0003584600000000, -0.0000901100000000, -0.0002966800000000 ] - [ 0.0007610600000000, 0.0036888000000000, 0.0029013800000000 ] - [ 0.0010826000000000, -0.0053982900000000, 0.0061999800000000 ] - [ -0.0006880300000000, 0.0003197000000000, 0.0023903700000000 ] - [ -0.0001754900000000, 0.0000768500000000, 0.0005790300000000 ] - [ -0.0047983100000000, 0.0010860200000000, -0.0065360200000000 ] - [ -0.0002153000000000, -0.0001002400000000, -0.0000859200000000 ] - [ 0.0004125800000000, -0.0001281800000000, -0.0003986200000000 ] - [ 0.0004098300000000, -0.0000496700000000, -0.0009006700000000 ] - [ -0.0174268300000000, 0.0012594600000000, 0.0066194900000000 ] - [ -0.0007668400000000, -0.0000155200000000, 0.0005529900000000 ] - [ 0.0000977000000000, -0.0000970500000000, -0.0004808300000000 ] - [ 0.0000986400000000, -0.0001150100000000, -0.0003587800000000 ] - [ -0.0000998100000000, -0.0000786700000000, 0.0003749600000000 ] - [ -0.0001537000000000, 0.0003567700000000, 0.0004400600000000 ] - [ 0.0013199300000000, -0.0099134900000000, -0.0034172400000000 ] - [ 0.0000503300000000, 0.0089987300000000, -0.0043177000000000 ] - [ 0.0016661600000000, 0.0001141400000000, 0.0019621700000000 ] - [ 0.0009901200000000, -0.0001697200000000, 0.0000991100000000 ] - [ -0.0308010900000000, 0.0021924000000000, 0.0094188700000000 ] - [ -0.0017999100000000, 0.0000004200000000, -0.0009292200000000 ] - [ 0.0001687400000000, 0.0003248000000000, -0.0000769300000000 ] - [ 0.0002475700000000, 0.0002162100000000, -0.0002453500000000 ] - [ 0.0164571800000000, -0.0022440500000000, 0.0005602900000000 ] - [ 0.0012859800000000, 0.0001868200000000, 0.0007896600000000 ] - [ -0.0013275000000000, 0.0003443900000000, 0.0004836500000000 ] - [ -0.0007886400000000, 0.0003281200000000, 0.0007133300000000 ] - [ -0.0003994700000000, -0.0007789300000000, -0.0014894100000000 ] - [ -0.0004156000000000, -0.0003900900000000, -0.0010084800000000 ] - [ 0.0053727400000000, 0.0171395800000000, -0.0037951800000000 ] - [ 0.0043886800000000, -0.0164999000000000, -0.0061581800000000 ] - [ -0.0028489200000000, 0.0004768300000000, 0.0009108300000000 ] - [ -0.0029162800000000, -0.0007009300000000, 0.0006925900000000 ] - [ -0.0004672600000000, 0.0006067000000000, -0.0003456400000000 ] - [ -0.0009893300000000, 0.0000104000000000, -0.0008049600000000 ] - [ -0.0142362900000000, -0.0060567100000000, -0.0003458600000000 ] - [ -0.0003422200000000, -0.0011301000000000, 0.0005115100000000 ] - [ 0.0000066200000000, -0.0001955000000000, 0.0000511500000000 ] - [ 0.0002137700000000, -0.0000169900000000, 0.0001180400000000 ] - [ -0.0013034000000000, -0.0014518300000000, 0.0015138200000000 ] - [ -0.0013414700000000, 0.0025306200000000, 0.0035405100000000 ] - [ 0.0067538100000000, -0.0093209600000000, 0.0042250700000000 ] - [ -0.0000976800000000, 0.0032652900000000, 0.0004492100000000 ] - [ 0.0002538200000000, -0.0004938300000000, -0.0015435900000000 ] - [ 0.0004005600000000, 0.0001005500000000, -0.0014698200000000 ] - [ -0.0004616700000000, -0.0021904900000000, -0.0007505500000000 ] - [ 0.0045769400000000, 0.0095570200000000, 0.0018135500000000 ] - [ 0.0003538100000000, 0.0001032300000000, 0.0022199700000000 ] - [ 0.0003558400000000, 0.0004032900000000, 0.0010144600000000 ] - [ 0.0000384300000000, 0.0000789300000000, 0.0001370400000000 ] - [ 0.0002143100000000, 0.0001723500000000, 0.0002176000000000 ] - [ -0.0093768300000000, -0.0013837500000000, -0.0004929300000000 ] - [ -0.0068832800000000, 0.0014483400000000, -0.0003033300000000 ] - [ -0.0001754400000000, 0.0000688200000000, -0.0002030900000000 ] - [ -0.0000985500000000, -0.0000597500000000, -0.0000901000000000 ] - [ 0.0002538900000000, -0.0004596400000000, 0.0000464900000000 ] - [ 0.0002830300000000, -0.0003755300000000, 0.0001938400000000 ] - [ -0.0014810900000000, -0.0007583100000000, -0.0005619800000000 ] - [ -0.0008373700000000, -0.0004044800000000, -0.0001647500000000 ] - [ 0.0029042400000000, 0.0001334700000000, -0.0009530800000000 ] - [ 0.0011017600000000, -0.0003055400000000, -0.0003356200000000 ] - [ -0.0065820000000000, -0.0003076900000000, 0.0007005600000000 ] - [ -0.0017569400000000, -0.0001230800000000, 0.0008370700000000 ] - [ 0.0011223000000000, -0.0004281100000000, -0.0003286700000000 ] - [ 0.0024295400000000, -0.0000482700000000, -0.0006500400000000 ] - [ 0.0021472100000000, 0.0020306400000000, 0.0015281900000000 ] - [ 0.0020600000000000, -0.0006009700000000, 0.0015460300000000 ] - [ 0.0000985900000000, 0.0003624300000000, 0.0002208700000000 ] - [ 0.0000392600000000, 0.0002807700000000, 0.0002774400000000 ] - [ 0.0108148700000000, -0.0014334800000000, 0.0013310400000000 ] - [ 0.0016145800000000, -0.0004070900000000, 0.0003816800000000 ] - [ 0.0026315400000000, -0.0011902900000000, -0.0015660100000000 ] - [ 0.0015122200000000, 0.0006881500000000, -0.0010571800000000 ] - [ 0.0001326100000000, 0.0027839100000000, -0.0002956800000000 ] - [ 0.0090438800000000, -0.0091423700000000, -0.0036341700000000 ] - [ 0.0006185800000000, 0.0001031100000000, -0.0009207100000000 ] - [ 0.0004261300000000, 0.0002513900000000, -0.0007672200000000 ] - [ -0.0008913900000000, 0.0004030800000000, -0.0004776600000000 ] - [ -0.0006311000000000, 0.0002627300000000, -0.0003455600000000 ] - [ 0.0008048700000000, 0.0006129700000000, 0.0003522600000000 ] - [ 0.0005558600000000, 0.0005065700000000, 0.0002877500000000 ] - [ -0.0032742300000000, 0.0008682700000000, -0.0001753100000000 ] - [ -0.0010256500000000, 0.0000185800000000, 0.0005194500000000 ] - [ 0.0014228800000000, -0.0002028900000000, 0.0007834900000000 ] - [ 0.0006297200000000, 0.0002397100000000, 0.0001029500000000 ] - [ -0.0001003100000000, -0.0001970300000000, 0.0003452500000000 ] - [ -0.0000358900000000, -0.0004888900000000, 0.0002804300000000 ] - [ -0.0039822900000000, 0.0010822600000000, 0.0035434500000000 ] - [ -0.0006120500000000, -0.0007694200000000, 0.0001900100000000 ] - [ -0.0093911500000000, 0.0008801400000000, 0.0015921500000000 ] - [ -0.0011829900000000, -0.0000835500000000, -0.0002032000000000 ] - [ 0.0037043800000000, 0.0008103100000000, -0.0057050000000000 ] - [ 0.0008015400000000, -0.0007111800000000, 0.0002717300000000 ] - [ -0.0107624500000000, 0.0011429000000000, -0.0025794900000000 ] - [ -0.0012054900000000, 0.0006078200000000, -0.0010168000000000 ] - [ 0.0003678900000000, -0.0001695400000000, -0.0003140100000000 ] - [ 0.0002554800000000, -0.0005972400000000, -0.0001246500000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0011943700000000, 0.0010006200000000, -0.0001503700000000 ] - [ 0.0007315700000000, 0.0009470900000000, -0.0004686800000000 ] - [ 0.0001309400000000, -0.0010121600000000, 0.0000731100000000 ] - [ 0.0002979800000000, 0.0011540200000000, -0.0002937900000000 ] - [ 0.0010673200000000, -0.0065147900000000, 0.0011414600000000 ] - [ -0.0001007700000000, 0.0035293600000000, -0.0001863600000000 ] - [ 0.0052365100000000, 0.0044790900000000, -0.0082881400000000 ] - [ -0.0031694300000000, 0.0040911700000000, 0.0055506800000000 ] - [ -0.0113041700000000, -0.0534317300000000, 0.0137874700000000 ] - [ 0.0001136300000000, 0.0093155700000000, -0.0005684400000000 ] - [ -0.0002254400000000, 0.0000766800000000, -0.0003627600000000 ] - [ -0.0000696900000000, -0.0001004300000000, -0.0003995500000000 ] - [ 0.0000057800000000, 0.0009924500000000, 0.0012004200000000 ] - [ -0.0006240800000000, 0.0003738400000000, -0.0018652800000000 ] - [ 0.0000616200000000, -0.0007478200000000, -0.0007640000000000 ] - [ 0.0000330900000000, 0.0005995200000000, -0.0003960600000000 ] - [ -0.0038291500000000, 0.0029524300000000, 0.0073439900000000 ] - [ 0.0052454400000000, 0.0048872100000000, -0.0090690000000000 ] - [ 0.0003553800000000, -0.0010404500000000, 0.0000479400000000 ] - [ 0.0002207700000000, 0.0009186800000000, 0.0003999600000000 ] - [ -0.0000484800000000, -0.0036047500000000, 0.0017474400000000 ] - [ 0.0001212800000000, 0.0018418600000000, 0.0000784200000000 ] - [ -0.0001754900000000, 0.0001251600000000, -0.0016026900000000 ] - [ -0.0002435700000000, 0.0001360600000000, 0.0025590200000000 ] - [ -0.0000499500000000, -0.0065434000000000, 0.0002625400000000 ] - [ 0.0003810500000000, 0.0032757300000000, -0.0001765200000000 ] - [ 0.0001290800000000, -0.0008151200000000, -0.0003905400000000 ] - [ 0.0001872500000000, 0.0005932500000000, -0.0002290200000000 ] - [ -0.0000782200000000, 0.0003612300000000, -0.0001636100000000 ] - [ -0.0002782400000000, -0.0000493900000000, 0.0003233900000000 ] - [ 0.0085518900000000, 0.0079324100000000, 0.0060144300000000 ] - [ -0.0094393100000000, 0.0087976900000000, -0.0061821000000000 ] - [ 0.0002365400000000, -0.0036188100000000, -0.0024467800000000 ] - [ -0.0001864800000000, 0.0022814800000000, 0.0012877900000000 ] - [ 0.0007425200000000, -0.0148933700000000, -0.0040373100000000 ] - [ -0.0003247200000000, 0.0049383700000000, -0.0004122500000000 ] - [ -0.0001948300000000, 0.0006023100000000, -0.0000538200000000 ] - [ 0.0004072500000000, -0.0003409400000000, -0.0013831600000000 ] - [ 0.0019326400000000, -0.0135185300000000, 0.0021845400000000 ] - [ -0.0007241900000000, 0.0039502700000000, 0.0004884200000000 ] - [ -0.0000402900000000, 0.0001390100000000, -0.0002699900000000 ] - [ 0.0005858200000000, 0.0009969000000000, 0.0022533800000000 ] - [ -0.0001033000000000, -0.0012108900000000, -0.0011540300000000 ] - [ -0.0001769800000000, 0.0003892800000000, -0.0007831900000000 ] - [ -0.0190394700000000, 0.0157643400000000, -0.0117297400000000 ] - [ 0.0154593900000000, 0.0147289700000000, 0.0092673900000000 ] - [ 0.0005032000000000, 0.0004049700000000, 0.0021158300000000 ] - [ 0.0000693800000000, -0.0010815900000000, -0.0006121900000000 ] - [ 0.0002512300000000, -0.0016561900000000, 0.0006409700000000 ] - [ -0.0002937100000000, 0.0022474800000000, -0.0000700900000000 ] - [ 0.0042582700000000, 0.0124312900000000, 0.0011055300000000 ] - [ 0.0018987300000000, -0.0036315000000000, -0.0000823000000000 ] - [ -0.0000995500000000, -0.0005095500000000, 0.0003131100000000 ] - [ -0.0003786400000000, 0.0003128100000000, -0.0007905500000000 ] - [ 0.0025235800000000, -0.0023105400000000, 0.0047479300000000 ] - [ -0.0016649100000000, -0.0010429000000000, -0.0075537700000000 ] - [ 0.0083590600000000, 0.0032951900000000, 0.0021914200000000 ] - [ -0.0033974300000000, -0.0047678500000000, -0.0009623600000000 ] - [ 0.0008328700000000, 0.0002473300000000, -0.0019294500000000 ] - [ 0.0003885300000000, -0.0003132000000000, 0.0012039900000000 ] - [ 0.0048885600000000, -0.0047166800000000, -0.0001977300000000 ] - [ -0.0070590700000000, 0.0023223000000000, -0.0004292000000000 ] - [ 0.0006091400000000, 0.0011988300000000, 0.0011702900000000 ] - [ 0.0001001700000000, -0.0003536700000000, 0.0006718900000000 ] - [ 0.0003160900000000, 0.0005773600000000, 0.0003231700000000 ] - [ 0.0001264400000000, -0.0003320400000000, 0.0002635100000000 ] - [ 0.0037101000000000, -0.0001181200000000, 0.0006100500000000 ] - [ -0.0025466200000000, -0.0127700000000000, -0.0006276600000000 ] - [ -0.0002551300000000, 0.0005173500000000, 0.0001614000000000 ] - [ -0.0000516900000000, -0.0004980600000000, -0.0000188700000000 ] - [ 0.0003483800000000, -0.0001788800000000, 0.0001774400000000 ] - [ 0.0000706100000000, -0.0007852900000000, 0.0002739500000000 ] - [ 0.0000888100000000, 0.0009206400000000, 0.0006054600000000 ] - [ -0.0005117100000000, -0.0014019400000000, -0.0003563700000000 ] - [ -0.0000245500000000, 0.0009444000000000, 0.0004894100000000 ] - [ 0.0000279100000000, -0.0015438300000000, -0.0005295100000000 ] - [ -0.0003055700000000, 0.0064978500000000, -0.0059573700000000 ] - [ -0.0005913500000000, -0.0028671300000000, -0.0005489600000000 ] - [ 0.0001625600000000, -0.0009582300000000, 0.0001428700000000 ] - [ -0.0005004300000000, 0.0001258300000000, -0.0023128400000000 ] - [ -0.0012214800000000, -0.0003895500000000, -0.0011163900000000 ] - [ 0.0008165400000000, 0.0005981500000000, 0.0008612600000000 ] - [ 0.0004303500000000, 0.0001114500000000, 0.0004630300000000 ] - [ 0.0006200000000000, 0.0006161800000000, 0.0005155000000000 ] - [ -0.0009785900000000, 0.0039899100000000, 0.0006699200000000 ] - [ 0.0004062300000000, -0.0026247300000000, 0.0000042800000000 ] - [ 0.0006714200000000, 0.0004850900000000, -0.0014145300000000 ] - [ -0.0012538200000000, -0.0008272300000000, 0.0008213800000000 ] - [ -0.0024828500000000, -0.0034721800000000, 0.0005523700000000 ] - [ 0.0086670200000000, 0.0040365000000000, -0.0019063800000000 ] - [ -0.0002636100000000, 0.0004601400000000, -0.0014845700000000 ] - [ -0.0002224700000000, 0.0001119100000000, -0.0000145600000000 ] - [ -0.0003731400000000, 0.0009483700000000, 0.0011565500000000 ] - [ -0.0002169400000000, -0.0003524900000000, -0.0006148100000000 ] - [ 0.0003282500000000, 0.0009330500000000, 0.0003491600000000 ] - [ 0.0002847900000000, 0.0001026800000000, 0.0001520600000000 ] - [ -0.0014970600000000, 0.0019317400000000, 0.0015645400000000 ] - [ -0.0003602200000000, -0.0010501500000000, 0.0006566300000000 ] - [ 0.0001758700000000, 0.0011336400000000, 0.0002440600000000 ] - [ -0.0000153200000000, -0.0005508100000000, -0.0004552800000000 ] - [ -0.0002989900000000, 0.0000775300000000, 0.0000559700000000 ] - [ 0.0000454000000000, -0.0008177900000000, 0.0003291100000000 ] - [ -0.0006852000000000, 0.0026328600000000, -0.0053535000000000 ] - [ 0.0004249200000000, -0.0025572600000000, 0.0015388500000000 ] - [ -0.0005513200000000, 0.0074219300000000, 0.0040386200000000 ] - [ -0.0003225100000000, -0.0038684300000000, -0.0021036500000000 ] - [ -0.0011470500000000, 0.0026391300000000, 0.0020420300000000 ] - [ 0.0006781600000000, -0.0021750900000000, 0.0007868800000000 ] - [ -0.0028315800000000, 0.0089896900000000, 0.0014546000000000 ] - [ -0.0004861700000000, -0.0023601900000000, 0.0001897800000000 ] - [ -0.0003000600000000, -0.0004804000000000, 0.0002177300000000 ] - [ -0.0005079800000000, -0.0006295700000000, -0.0006142600000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008430300000000, -0.0009853900000000, -0.0004865900000000 ] - [ -0.0010858300000000, -0.0009057600000000, -0.0001670300000000 ] - [ 0.0002056400000000, 0.0011067100000000, -0.0002022700000000 ] - [ 0.0000277800000000, -0.0010581400000000, 0.0001793100000000 ] - [ -0.0006958200000000, 0.0064450200000000, -0.0012358800000000 ] - [ 0.0004232600000000, -0.0036291500000000, 0.0000573500000000 ] - [ -0.0055222900000000, -0.0045863000000000, 0.0083316100000000 ] - [ 0.0028751900000000, -0.0041983400000000, -0.0054748100000000 ] - [ 0.0114216000000000, 0.0528497300000000, -0.0145066200000000 ] - [ 0.0000203700000000, -0.0092501200000000, -0.0000733600000000 ] - [ -0.0001209100000000, -0.0001144900000000, -0.0002772800000000 ] - [ -0.0002782600000000, 0.0000710600000000, -0.0002400900000000 ] - [ -0.0003320000000000, -0.0009009900000000, -0.0010764400000000 ] - [ 0.0002930400000000, -0.0002651100000000, 0.0019832900000000 ] - [ 0.0000752200000000, 0.0006680400000000, 0.0001263900000000 ] - [ 0.0001025200000000, -0.0006784900000000, -0.0002436800000000 ] - [ 0.0036563600000000, -0.0030220400000000, -0.0066442800000000 ] - [ -0.0054313300000000, -0.0049785600000000, 0.0097897800000000 ] - [ -0.0000146100000000, 0.0010766100000000, 0.0005981700000000 ] - [ 0.0001268400000000, -0.0008877400000000, 0.0002368500000000 ] - [ 0.0003793500000000, 0.0035748600000000, -0.0011292900000000 ] - [ 0.0002309200000000, -0.0018771800000000, 0.0005694600000000 ] - [ 0.0000427600000000, -0.0000589500000000, 0.0022386800000000 ] - [ 0.0001099300000000, -0.0000484400000000, -0.0019349100000000 ] - [ 0.0005683400000000, 0.0067472600000000, -0.0007134100000000 ] - [ 0.0000733400000000, -0.0030731800000000, -0.0002605300000000 ] - [ 0.0003372200000000, 0.0006042300000000, -0.0000490800000000 ] - [ 0.0002709200000000, -0.0008061800000000, -0.0002167300000000 ] - [ -0.0003786400000000, -0.0001608000000000, 0.0006103700000000 ] - [ -0.0001765300000000, 0.0002693900000000, 0.0001225600000000 ] - [ -0.0088987400000000, -0.0080807200000000, -0.0055139100000000 ] - [ 0.0091005500000000, -0.0090653400000000, 0.0067026500000000 ] - [ -0.0004365800000000, 0.0033610200000000, 0.0036521700000000 ] - [ 0.0000070400000000, -0.0025695500000000, -0.0001757600000000 ] - [ -0.0012539400000000, 0.0156883200000000, 0.0023503800000000 ] - [ -0.0000694500000000, -0.0041886900000000, -0.0013095000000000 ] - [ 0.0003773400000000, -0.0003211700000000, -0.0010709000000000 ] - [ -0.0002251400000000, 0.0006344800000000, 0.0002625000000000 ] - [ -0.0021559200000000, 0.0137654200000000, -0.0012194300000000 ] - [ 0.0005380100000000, -0.0036671700000000, 0.0006514300000000 ] - [ 0.0004379800000000, 0.0006022300000000, 0.0019801000000000 ] - [ -0.0001895400000000, -0.0002440200000000, -0.0005463300000000 ] - [ -0.0002987900000000, 0.0004600800000000, -0.0005580000000000 ] - [ -0.0002239200000000, -0.0011373700000000, -0.0009290900000000 ] - [ 0.0189807200000000, -0.0158880400000000, 0.0104770500000000 ] - [ -0.0155019400000000, -0.0151653700000000, -0.0104898700000000 ] - [ -0.0001046300000000, -0.0011630300000000, -0.0004020400000000 ] - [ 0.0003279100000000, 0.0003437800000000, 0.0023313100000000 ] - [ 0.0000413100000000, 0.0016404200000000, -0.0006102200000000 ] - [ 0.0005957300000000, -0.0022904500000000, 0.0000848800000000 ] - [ -0.0035715200000000, -0.0125898300000000, -0.0006929700000000 ] - [ -0.0014433400000000, 0.0033966700000000, 0.0004691200000000 ] - [ -0.0003691800000000, 0.0002682600000000, -0.0006992600000000 ] - [ -0.0000911500000000, -0.0005610500000000, 0.0004033700000000 ] - [ -0.0012899500000000, 0.0023829700000000, -0.0058321000000000 ] - [ 0.0029126800000000, 0.0011027300000000, 0.0064945600000000 ] - [ -0.0086555800000000, -0.0032043500000000, -0.0022226100000000 ] - [ 0.0031273100000000, 0.0047555900000000, 0.0009444300000000 ] - [ 0.0003857600000000, -0.0003041000000000, 0.0008100800000000 ] - [ 0.0008296600000000, 0.0002442300000000, -0.0023311500000000 ] - [ -0.0044331300000000, 0.0056116500000000, 0.0005036900000000 ] - [ 0.0074791500000000, -0.0015210100000000, 0.0007160500000000 ] - [ -0.0001470200000000, -0.0006007400000000, 0.0004467100000000 ] - [ 0.0003585200000000, 0.0009573300000000, 0.0009447900000000 ] - [ 0.0001556700000000, -0.0003346600000000, 0.0000645100000000 ] - [ 0.0003436600000000, 0.0005772400000000, 0.0001237900000000 ] - [ -0.0027823000000000, 0.0002537500000000, 0.0001426200000000 ] - [ 0.0035040200000000, 0.0119316700000000, 0.0014011600000000 ] - [ -0.0000399500000000, -0.0005035600000000, -0.0001865600000000 ] - [ -0.0002433400000000, 0.0005206200000000, -0.0000055800000000 ] - [ 0.0000839800000000, -0.0007194000000000, 0.0001212700000000 ] - [ 0.0003640700000000, -0.0001156800000000, 0.0000249600000000 ] - [ -0.0010397800000000, -0.0016720000000000, -0.0013934800000000 ] - [ -0.0004250900000000, 0.0006629700000000, -0.0003991500000000 ] - [ 0.0002684400000000, -0.0016219900000000, -0.0007679000000000 ] - [ 0.0002246400000000, 0.0008820500000000, 0.0002474600000000 ] - [ -0.0009062500000000, -0.0064975900000000, 0.0071513200000000 ] - [ -0.0006287800000000, 0.0029383800000000, 0.0016770900000000 ] - [ -0.0006223000000000, 0.0003650000000000, -0.0017581100000000 ] - [ 0.0000410300000000, -0.0007305100000000, 0.0007023700000000 ] - [ 0.0005911200000000, 0.0014202700000000, 0.0007664400000000 ] - [ -0.0014463900000000, 0.0004135400000000, -0.0012166400000000 ] - [ 0.0005080100000000, 0.0006324000000000, 0.0002981600000000 ] - [ 0.0003167600000000, 0.0001188500000000, 0.0002463700000000 ] - [ 0.0016220100000000, -0.0050266400000000, -0.0003187400000000 ] - [ 0.0002201500000000, 0.0016063400000000, 0.0003464800000000 ] - [ -0.0011433700000000, -0.0002308100000000, 0.0010277700000000 ] - [ 0.0007923800000000, 0.0010658000000000, -0.0012123500000000 ] - [ 0.0022172900000000, 0.0041404200000000, -0.0002685400000000 ] - [ -0.0089105200000000, -0.0034577400000000, 0.0021918800000000 ] - [ -0.0001974900000000, 0.0001458900000000, -0.0001357800000000 ] - [ -0.0002366500000000, 0.0004876300000000, -0.0016073700000000 ] - [ -0.0000473800000000, -0.0000341300000000, -0.0014792300000000 ] - [ -0.0002186700000000, 0.0012499900000000, 0.0003223000000000 ] - [ 0.0003010500000000, 0.0000876400000000, 0.0000050100000000 ] - [ 0.0003435800000000, 0.0009174700000000, 0.0002002900000000 ] - [ 0.0002862600000000, -0.0019976000000000, -0.0004324800000000 ] - [ -0.0008566800000000, 0.0009872700000000, 0.0004485200000000 ] - [ 0.0000719900000000, -0.0004623600000000, -0.0005244600000000 ] - [ 0.0002669900000000, 0.0012156600000000, 0.0001786400000000 ] - [ 0.0000503800000000, -0.0007420900000000, 0.0002225100000000 ] - [ -0.0002936800000000, 0.0001465600000000, -0.0000498900000000 ] - [ 0.0009829600000000, -0.0025787100000000, 0.0053587900000000 ] - [ -0.0001336900000000, 0.0025766500000000, -0.0015286600000000 ] - [ 0.0001625100000000, -0.0084006100000000, -0.0042564400000000 ] - [ -0.0001131000000000, 0.0029584600000000, 0.0017910100000000 ] - [ 0.0016183600000000, -0.0032421400000000, -0.0004320600000000 ] - [ -0.0002229600000000, 0.0015715400000000, 0.0008391100000000 ] - [ 0.0018808700000000, -0.0082606100000000, -0.0021916200000000 ] - [ -0.0004517200000000, 0.0031049800000000, -0.0009608500000000 ] - [ -0.0003270900000000, -0.0005363300000000, -0.0005699900000000 ] - [ -0.0001186400000000, -0.0003945900000000, 0.0002623700000000 ]- atom: 9 displacement: [ -0.0004120271249244, 0.0000000000000000, 0.0099915080767783 ] forces: - [ 0.0003831300000000, -0.0003660500000000, -0.0029154800000000 ] - [ -0.0009056300000000, 0.0005883100000000, -0.0027755000000000 ] - [ -0.0026493800000000, 0.0006261400000000, 0.0038877200000000 ] - [ -0.0000725700000000, -0.0001288100000000, 0.0007071900000000 ] - [ 0.0104965700000000, 0.0018521600000000, 0.0029071300000000 ] - [ 0.0006925400000000, -0.0002445100000000, -0.0005179400000000 ] - [ -0.0062340200000000, -0.0104815000000000, 0.0009665700000000 ] - [ -0.0023896100000000, 0.0059560400000000, -0.0000369900000000 ] - [ 0.0069639700000000, 0.0143725400000000, -0.1130382000000000 ] - [ -0.0000334900000000, -0.0001932100000000, -0.0026126300000000 ] - [ -0.0001235200000000, 0.0001734800000000, 0.0016312300000000 ] - [ -0.0000522300000000, -0.0000432000000000, 0.0017687600000000 ] - [ 0.0004874400000000, 0.0025599100000000, 0.0029217700000000 ] - [ 0.0011648400000000, -0.0029661500000000, 0.0049602800000000 ] - [ -0.0002091700000000, 0.0003885100000000, 0.0057994800000000 ] - [ 0.0000499500000000, 0.0000183900000000, 0.0017455800000000 ] - [ -0.0026131000000000, 0.0071030500000000, -0.0010013600000000 ] - [ -0.0058995000000000, -0.0097239500000000, 0.0017463500000000 ] - [ -0.0015771700000000, 0.0001588000000000, 0.0027066300000000 ] - [ -0.0000526400000000, 0.0000232000000000, 0.0012473800000000 ] - [ 0.0060853100000000, 0.0009108100000000, -0.0007507400000000 ] - [ 0.0005887100000000, -0.0001993100000000, -0.0005882900000000 ] - [ 0.0011757600000000, -0.0021881000000000, 0.0036397200000000 ] - [ 0.0006756800000000, 0.0019632100000000, 0.0036149800000000 ] - [ -0.0086962200000000, 0.0003219700000000, -0.0063455700000000 ] - [ 0.0001398700000000, -0.0001599700000000, -0.0019889400000000 ] - [ 0.0015236000000000, -0.0002997200000000, 0.0025030300000000 ] - [ 0.0002845000000000, -0.0001365700000000, 0.0012429100000000 ] - [ -0.0008143200000000, -0.0010757000000000, 0.0027423800000000 ] - [ -0.0007954600000000, 0.0009845300000000, 0.0031429700000000 ] - [ 0.0026361000000000, 0.0045786700000000, -0.0042642700000000 ] - [ 0.0044564300000000, -0.0073065300000000, -0.0055769800000000 ] - [ -0.0040382100000000, 0.0032362600000000, 0.0251479500000000 ] - [ 0.0003069200000000, -0.0007265900000000, 0.0009702100000000 ] - [ -0.0084280800000000, -0.0022607400000000, -0.0081706100000000 ] - [ -0.0004548500000000, -0.0000812300000000, -0.0026584700000000 ] - [ -0.0002066500000000, 0.0005509200000000, 0.0032481600000000 ] - [ -0.0002685900000000, -0.0004253000000000, 0.0029842900000000 ] - [ 0.0023231900000000, 0.0057049800000000, 0.0425261200000000 ] - [ -0.0011739800000000, -0.0008790200000000, 0.0008991100000000 ] - [ 0.0003827500000000, -0.0010565600000000, 0.0014309600000000 ] - [ 0.0006724400000000, 0.0009139100000000, 0.0016654500000000 ] - [ 0.0000557900000000, -0.0001060400000000, 0.0031345000000000 ] - [ 0.0000246600000000, -0.0006456600000000, 0.0009329800000000 ] - [ 0.0030094700000000, -0.0092599200000000, -0.0071150700000000 ] - [ 0.0036704900000000, 0.0056877900000000, -0.0093466300000000 ] - [ -0.0000872400000000, 0.0005513200000000, 0.0014022300000000 ] - [ 0.0003672400000000, -0.0023461200000000, 0.0012756400000000 ] - [ 0.0001341400000000, 0.0012978700000000, -0.0010190200000000 ] - [ 0.0030403800000000, -0.0041437800000000, -0.0052498600000000 ] - [ 0.0009897900000000, 0.0009487900000000, 0.0100657600000000 ] - [ -0.0000315600000000, 0.0000984900000000, 0.0019588100000000 ] - [ -0.0004161100000000, 0.0003942400000000, -0.0011976700000000 ] - [ -0.0010168900000000, -0.0004836600000000, -0.0015023900000000 ] - [ -0.0008608300000000, 0.0033654500000000, 0.0008336000000000 ] - [ -0.0026897700000000, -0.0055884000000000, -0.0005550100000000 ] - [ -0.0038255400000000, 0.0020493100000000, 0.0064819200000000 ] - [ -0.0003594600000000, -0.0002798400000000, 0.0020352300000000 ] - [ 0.0015542200000000, -0.0017420300000000, -0.0036346100000000 ] - [ 0.0014013100000000, 0.0009234800000000, -0.0029319800000000 ] - [ 0.0000186300000000, 0.0015245300000000, 0.0024389500000000 ] - [ 0.0002221700000000, 0.0016323700000000, 0.0084858200000000 ] - [ -0.0010329800000000, 0.0000233700000000, -0.0022909200000000 ] - [ -0.0001053900000000, -0.0001010900000000, -0.0001953300000000 ] - [ 0.0007397200000000, 0.0003823800000000, -0.0027245900000000 ] - [ 0.0003846000000000, 0.0003586600000000, -0.0012404500000000 ] - [ 0.0009520800000000, 0.0004450000000000, 0.0104509400000000 ] - [ 0.0012717500000000, 0.0006206800000000, 0.0078895000000000 ] - [ 0.0000993000000000, 0.0002488600000000, -0.0022592200000000 ] - [ 0.0000854000000000, -0.0002842400000000, -0.0013757400000000 ] - [ 0.0003138100000000, -0.0000010600000000, -0.0023348300000000 ] - [ 0.0003685600000000, -0.0001972400000000, -0.0015773900000000 ] - [ -0.0030654000000000, -0.0014860400000000, -0.0078269300000000 ] - [ -0.0007536500000000, -0.0001826700000000, -0.0013482600000000 ] - [ 0.0020567400000000, 0.0011401400000000, -0.0002556800000000 ] - [ 0.0002011800000000, -0.0009143900000000, 0.0000089700000000 ] - [ -0.0013115100000000, -0.0071419000000000, 0.0401063700000000 ] - [ -0.0004783100000000, -0.0002899600000000, 0.0014527100000000 ] - [ -0.0003899500000000, 0.0001797500000000, -0.0004095100000000 ] - [ -0.0008445200000000, -0.0013225800000000, -0.0004453200000000 ] - [ -0.0007074200000000, -0.0002923300000000, 0.0008766900000000 ] - [ -0.0017247000000000, 0.0017990000000000, 0.0012089000000000 ] - [ 0.0000554400000000, 0.0005532400000000, -0.0020073700000000 ] - [ 0.0002662600000000, 0.0003496600000000, -0.0024079100000000 ] - [ 0.0011214500000000, -0.0000762800000000, 0.0029949700000000 ] - [ 0.0005782300000000, -0.0003447000000000, 0.0014224400000000 ] - [ 0.0018545900000000, -0.0014259000000000, 0.0012825100000000 ] - [ 0.0001811900000000, 0.0010798100000000, 0.0009761100000000 ] - [ 0.0003336800000000, 0.0011404400000000, 0.0022095200000000 ] - [ 0.0038447600000000, -0.0018984100000000, 0.0058410800000000 ] - [ 0.0000069900000000, -0.0003832300000000, -0.0016515200000000 ] - [ -0.0002897600000000, 0.0008122400000000, -0.0017699400000000 ] - [ 0.0024069200000000, 0.0028370800000000, -0.0069380100000000 ] - [ -0.0001178800000000, -0.0001654600000000, -0.0011253000000000 ] - [ -0.0001889600000000, 0.0004593900000000, -0.0017357500000000 ] - [ -0.0000251800000000, 0.0005694500000000, -0.0009323600000000 ] - [ -0.0002029400000000, 0.0002123100000000, -0.0084647800000000 ] - [ -0.0003220900000000, -0.0001015600000000, -0.0005283600000000 ] - [ -0.0007521900000000, 0.0013388100000000, -0.0012855900000000 ] - [ -0.0001681300000000, -0.0001106500000000, -0.0007015800000000 ] - [ -0.0002832000000000, -0.0004301400000000, -0.0020607200000000 ] - [ -0.0004744300000000, 0.0002385100000000, -0.0014238500000000 ] - [ -0.0042978500000000, -0.0071783000000000, -0.0060238500000000 ] - [ 0.0001464400000000, 0.0027986800000000, -0.0001287400000000 ] - [ -0.0041348600000000, 0.0034817800000000, -0.0018880700000000 ] - [ -0.0002200100000000, -0.0011849900000000, 0.0009940300000000 ] - [ 0.0032632900000000, 0.0002174300000000, 0.0028899000000000 ] - [ 0.0006127000000000, -0.0008896100000000, 0.0016375100000000 ] - [ 0.0018911000000000, -0.0008058500000000, 0.0029936500000000 ] - [ 0.0000031000000000, 0.0008894200000000, 0.0005498600000000 ] - [ -0.0000607400000000, 0.0000801000000000, -0.0012592500000000 ] - [ -0.0000894100000000, -0.0009688500000000, -0.0011740700000000 ]- atom: 9 displacement: [ 0.0004120271249244, 0.0000000000000000, -0.0099915080767783 ] forces: - [ -0.0007117000000000, 0.0003902900000000, 0.0022951100000000 ] - [ 0.0005787900000000, -0.0005376200000000, 0.0021532600000000 ] - [ 0.0029894800000000, -0.0005331400000000, -0.0039972100000000 ] - [ 0.0004168500000000, 0.0002190300000000, -0.0008200400000000 ] - [ -0.0102463400000000, -0.0019510800000000, -0.0029961300000000 ] - [ -0.0003482100000000, 0.0001508100000000, 0.0004271800000000 ] - [ 0.0059359400000000, 0.0104759400000000, -0.0008295800000000 ] - [ 0.0020681800000000, -0.0060843600000000, 0.0001794600000000 ] - [ -0.0065609700000000, -0.0148455100000000, 0.1136178000000000 ] - [ 0.0001739700000000, 0.0002998700000000, 0.0019521500000000 ] - [ -0.0002025500000000, -0.0002086600000000, -0.0022563800000000 ] - [ -0.0002750400000000, 0.0000034700000000, -0.0023949000000000 ] - [ -0.0008306300000000, -0.0024503600000000, -0.0028112400000000 ] - [ -0.0015058400000000, 0.0030512200000000, -0.0048550900000000 ] - [ 0.0003527700000000, -0.0004979100000000, -0.0064697400000000 ] - [ 0.0000936500000000, -0.0001292700000000, -0.0024086100000000 ] - [ 0.0024575500000000, -0.0071808500000000, 0.0016322500000000 ] - [ 0.0057273700000000, 0.0095633400000000, -0.0011128500000000 ] - [ 0.0019185900000000, -0.0001189800000000, -0.0020809000000000 ] - [ 0.0003810500000000, 0.0000135900000000, -0.0006179300000000 ] - [ -0.0057328900000000, -0.0009419800000000, 0.0013335500000000 ] - [ -0.0002614500000000, 0.0001615900000000, 0.0012008000000000 ] - [ -0.0013277400000000, 0.0023137700000000, -0.0029815800000000 ] - [ -0.0008274700000000, -0.0018678800000000, -0.0029651400000000 ] - [ 0.0091165300000000, -0.0001343700000000, 0.0058599700000000 ] - [ 0.0002836900000000, 0.0003565500000000, 0.0015604200000000 ] - [ -0.0011133200000000, 0.0000969500000000, -0.0029286900000000 ] - [ 0.0001347200000000, -0.0000676800000000, -0.0016610000000000 ] - [ 0.0004007100000000, 0.0012900600000000, -0.0023256200000000 ] - [ 0.0003841800000000, -0.0007903800000000, -0.0027338900000000 ] - [ -0.0030639700000000, -0.0048046300000000, 0.0046130500000000 ] - [ -0.0048861700000000, 0.0071218800000000, 0.0059279700000000 ] - [ 0.0038658200000000, -0.0035159700000000, -0.0243188300000000 ] - [ -0.0005129400000000, 0.0004425900000000, 0.0001721100000000 ] - [ 0.0079254000000000, 0.0030149000000000, 0.0066351000000000 ] - [ 0.0000235900000000, 0.0008196400000000, 0.0009973500000000 ] - [ 0.0004060000000000, -0.0002615300000000, -0.0043807500000000 ] - [ 0.0004646000000000, 0.0007054000000000, -0.0041173600000000 ] - [ -0.0025188800000000, -0.0053902200000000, -0.0407200800000000 ] - [ 0.0009684100000000, 0.0011619600000000, 0.0002150100000000 ] - [ 0.0000439800000000, 0.0018087000000000, 0.0002580000000000 ] - [ -0.0002490900000000, -0.0001729000000000, 0.0000224600000000 ] - [ -0.0004757700000000, -0.0006374400000000, -0.0048114500000000 ] - [ -0.0004492100000000, -0.0000976400000000, -0.0026102100000000 ] - [ -0.0027713700000000, 0.0089273500000000, 0.0061058500000000 ] - [ -0.0034386000000000, -0.0059204900000000, 0.0083609600000000 ] - [ 0.0005097100000000, -0.0012917400000000, 0.0002596900000000 ] - [ 0.0000593600000000, 0.0016017300000000, 0.0003846300000000 ] - [ 0.0001740600000000, -0.0012910100000000, 0.0010361900000000 ] - [ -0.0027602900000000, 0.0041943900000000, 0.0053128900000000 ] - [ -0.0004784700000000, -0.0012439900000000, -0.0097052600000000 ] - [ 0.0005597800000000, -0.0003741700000000, -0.0015803500000000 ] - [ -0.0001042000000000, -0.0006677100000000, 0.0008167400000000 ] - [ 0.0005018400000000, 0.0002161300000000, 0.0011229400000000 ] - [ 0.0020803400000000, -0.0033222200000000, -0.0019744300000000 ] - [ 0.0039373600000000, 0.0057149200000000, -0.0005734000000000 ] - [ 0.0034777800000000, -0.0020104600000000, -0.0065637600000000 ] - [ 0.0000459200000000, 0.0002837800000000, -0.0020752800000000 ] - [ -0.0003402500000000, 0.0016787200000000, 0.0025379800000000 ] - [ -0.0001908800000000, -0.0009792200000000, 0.0018360200000000 ] - [ 0.0003950200000000, -0.0006367800000000, -0.0021441500000000 ] - [ 0.0001795900000000, -0.0007855900000000, -0.0081965600000000 ] - [ 0.0015353900000000, 0.0005541100000000, 0.0038828400000000 ] - [ 0.0006104900000000, 0.0006746500000000, 0.0017859800000000 ] - [ -0.0002242000000000, -0.0001117800000000, 0.0031077800000000 ] - [ 0.0001354700000000, -0.0000893300000000, 0.0016176400000000 ] - [ -0.0000641800000000, -0.0011385300000000, -0.0097159500000000 ] - [ -0.0003742300000000, -0.0014084600000000, -0.0071391500000000 ] - [ -0.0004027800000000, -0.0002615800000000, 0.0022445300000000 ] - [ -0.0003911200000000, 0.0002674400000000, 0.0013578200000000 ] - [ 0.0001226600000000, -0.0008713000000000, 0.0026347800000000 ] - [ 0.0000675200000000, -0.0006683600000000, 0.0018751600000000 ] - [ 0.0021718800000000, 0.0007545300000000, 0.0071077500000000 ] - [ -0.0001512700000000, -0.0005453800000000, 0.0005928100000000 ] - [ -0.0018320800000000, -0.0018161400000000, -0.0000210900000000 ] - [ 0.0000168300000000, 0.0002352700000000, -0.0002878400000000 ] - [ 0.0001341500000000, 0.0078017500000000, -0.0416491600000000 ] - [ -0.0007302700000000, 0.0003524300000000, -0.0003675400000000 ] - [ -0.0001197200000000, -0.0007552300000000, -0.0011899900000000 ] - [ 0.0003453000000000, 0.0007501400000000, -0.0011581600000000 ] - [ 0.0001109500000000, 0.0013108800000000, -0.0012161700000000 ] - [ 0.0011207500000000, -0.0007833500000000, -0.0015550800000000 ] - [ 0.0008531500000000, 0.0001704900000000, 0.0027612400000000 ] - [ 0.0006421600000000, 0.0003835300000000, 0.0031661700000000 ] - [ -0.0004953100000000, -0.0009456300000000, -0.0026376600000000 ] - [ 0.0000217600000000, -0.0006677500000000, -0.0010640100000000 ] - [ -0.0023676400000000, 0.0016920900000000, -0.0016474300000000 ] - [ -0.0007026800000000, -0.0008095600000000, -0.0013416000000000 ] - [ -0.0005459200000000, -0.0004523200000000, -0.0019413000000000 ] - [ -0.0040096300000000, 0.0025385800000000, -0.0056224100000000 ] - [ -0.0005145200000000, 0.0009570100000000, 0.0000756800000000 ] - [ -0.0002176800000000, -0.0002366100000000, 0.0001945100000000 ] - [ -0.0028423300000000, -0.0019829000000000, 0.0066586100000000 ] - [ -0.0003158300000000, 0.0010415100000000, 0.0008246900000000 ] - [ 0.0007867900000000, 0.0005527600000000, 0.0020939400000000 ] - [ 0.0006247800000000, 0.0004440400000000, 0.0012898000000000 ] - [ -0.0010037500000000, -0.0002707200000000, 0.0095553400000000 ] - [ -0.0008850600000000, 0.0000387200000000, 0.0016393600000000 ] - [ 0.0009755800000000, -0.0006676700000000, 0.0009968600000000 ] - [ 0.0003870300000000, 0.0007936800000000, 0.0004119100000000 ] - [ 0.0000616400000000, -0.0002504700000000, 0.0023450900000000 ] - [ 0.0002561900000000, -0.0009163000000000, 0.0017119600000000 ] - [ 0.0045575600000000, 0.0070936600000000, 0.0059880800000000 ] - [ 0.0001611300000000, -0.0028026100000000, 0.0001552600000000 ] - [ 0.0037938500000000, -0.0044558000000000, 0.0020572700000000 ] - [ -0.0002125800000000, 0.0003151600000000, -0.0012719100000000 ] - [ -0.0027798000000000, -0.0007925100000000, -0.0013565500000000 ] - [ -0.0001066000000000, 0.0003164600000000, -0.0000667900000000 ] - [ -0.0030843100000000, 0.0016245600000000, -0.0031146000000000 ] - [ -0.0009080100000000, -0.0001602000000000, -0.0012889400000000 ] - [ -0.0005439800000000, -0.0010974100000000, 0.0008984100000000 ] - [ -0.0005158900000000, -0.0000403700000000, 0.0008135800000000 ]- atom: 25 displacement: [ 0.0099999999631191, 0.0000000000000000, -0.0000008588465536 ] forces: - [ -0.0008482100000000, -0.0095904000000000, 0.0048271700000000 ] - [ -0.0029017600000000, 0.0087219300000000, 0.0030160500000000 ] - [ -0.0062586800000000, -0.0005894100000000, 0.0009750400000000 ] - [ -0.0009588300000000, 0.0002272600000000, -0.0005376000000000 ] - [ -0.0040526200000000, -0.0005365100000000, -0.0027060500000000 ] - [ -0.0005762400000000, 0.0000642200000000, -0.0006553600000000 ] - [ 0.0020161500000000, -0.0009529600000000, 0.0003107000000000 ] - [ 0.0014225000000000, 0.0006594300000000, 0.0006635800000000 ] - [ 0.0177129700000000, -0.0002596700000000, -0.0085691800000000 ] - [ 0.0010529400000000, 0.0002093500000000, -0.0003580300000000 ] - [ -0.0002591400000000, -0.0001331900000000, -0.0009398700000000 ] - [ -0.0002030000000000, -0.0000295800000000, -0.0011455700000000 ] - [ 0.0007648800000000, 0.0009204700000000, 0.0006448100000000 ] - [ 0.0013402000000000, -0.0009441800000000, 0.0006467300000000 ] - [ 0.0001923000000000, 0.0000507200000000, 0.0010027300000000 ] - [ 0.0001859500000000, -0.0000125300000000, -0.0002458200000000 ] - [ -0.0016483200000000, 0.0086864200000000, 0.0031208100000000 ] - [ -0.0003805100000000, -0.0093455100000000, 0.0049925800000000 ] - [ 0.0001153800000000, 0.0002482700000000, 0.0019996300000000 ] - [ 0.0002520400000000, 0.0000833600000000, 0.0004790500000000 ] - [ 0.0137901500000000, -0.0001407800000000, -0.0085810100000000 ] - [ 0.0011105500000000, 0.0001953300000000, 0.0001388400000000 ] - [ -0.0001396000000000, 0.0001065700000000, -0.0002661500000000 ] - [ -0.0001944900000000, -0.0000951700000000, -0.0002854800000000 ] - [ -0.1214188100000000, 0.0088482500000000, -0.0101458600000000 ] - [ -0.0013509500000000, 0.0002173600000000, 0.0008800200000000 ] - [ -0.0001812500000000, -0.0001942500000000, -0.0003510200000000 ] - [ -0.0000461400000000, -0.0000552100000000, -0.0002771700000000 ] - [ 0.0001141000000000, 0.0000994300000000, 0.0003418900000000 ] - [ 0.0001150800000000, 0.0000948300000000, 0.0003199500000000 ] - [ 0.0027228800000000, -0.0004111700000000, -0.0006140700000000 ] - [ 0.0029467500000000, -0.0001308200000000, -0.0007540700000000 ] - [ 0.0012756800000000, -0.0003920900000000, -0.0003612100000000 ] - [ 0.0004120900000000, -0.0000428100000000, 0.0001608500000000 ] - [ 0.0184460100000000, -0.0002351700000000, 0.0073061400000000 ] - [ 0.0002484200000000, 0.0003494100000000, -0.0004971800000000 ] - [ -0.0006587100000000, 0.0005457200000000, 0.0004544800000000 ] - [ -0.0009229300000000, -0.0000652600000000, -0.0001832700000000 ] - [ 0.0154140300000000, -0.0011847100000000, 0.0088314200000000 ] - [ 0.0002578800000000, 0.0002050000000000, 0.0008845900000000 ] - [ -0.0006769300000000, 0.0003692200000000, 0.0011074100000000 ] - [ -0.0002653300000000, 0.0007870000000000, 0.0017605600000000 ] - [ 0.0006540100000000, -0.0008283200000000, -0.0015686400000000 ] - [ 0.0001944500000000, -0.0003378100000000, -0.0012362000000000 ] - [ 0.0033045200000000, 0.0069796100000000, -0.0033406000000000 ] - [ 0.0041858600000000, -0.0060214300000000, -0.0040760200000000 ] - [ 0.0032176400000000, -0.0049959300000000, -0.0029159300000000 ] - [ 0.0018983400000000, 0.0072933800000000, -0.0013732000000000 ] - [ -0.0002450000000000, 0.0000941400000000, 0.0000109200000000 ] - [ -0.0006438000000000, 0.0000950700000000, -0.0000455400000000 ] - [ -0.0083262700000000, 0.0019924900000000, 0.0008381700000000 ] - [ -0.0007515900000000, -0.0004452700000000, 0.0001249000000000 ] - [ 0.0001360800000000, -0.0001375400000000, -0.0001670400000000 ] - [ 0.0002857700000000, -0.0000136100000000, -0.0003291900000000 ] - [ -0.0002164400000000, -0.0012070600000000, 0.0010760700000000 ] - [ -0.0005233900000000, 0.0008908700000000, 0.0018821600000000 ] - [ 0.0101815700000000, 0.0008534300000000, -0.0017277700000000 ] - [ 0.0007283000000000, 0.0028721800000000, 0.0003576600000000 ] - [ 0.0016924800000000, -0.0011963400000000, -0.0023782300000000 ] - [ 0.0015459200000000, 0.0004631100000000, -0.0014524100000000 ] - [ 0.0015119300000000, -0.0013485800000000, -0.0007831500000000 ] - [ 0.0113114900000000, -0.0039048300000000, -0.0021968400000000 ] - [ -0.0011886100000000, 0.0001364900000000, 0.0024091200000000 ] - [ -0.0002862900000000, 0.0001847300000000, 0.0011473600000000 ] - [ -0.0004152200000000, 0.0001426300000000, 0.0001531400000000 ] - [ -0.0000227000000000, 0.0000589700000000, 0.0002408000000000 ] - [ -0.0019139500000000, -0.0025275800000000, 0.0015378500000000 ] - [ -0.0018189700000000, 0.0009843600000000, 0.0009100200000000 ] - [ 0.0006190000000000, 0.0001351200000000, 0.0001596400000000 ] - [ 0.0003391100000000, -0.0003417100000000, -0.0000947600000000 ] - [ 0.0007130000000000, -0.0004169300000000, 0.0000317900000000 ] - [ 0.0006236900000000, -0.0003621800000000, 0.0002124100000000 ] - [ -0.0004901700000000, -0.0003284200000000, -0.0000617100000000 ] - [ -0.0004800100000000, -0.0004633000000000, -0.0001855200000000 ] - [ 0.0098063100000000, -0.0016022700000000, 0.0010781600000000 ] - [ 0.0004370300000000, 0.0016765700000000, 0.0003975800000000 ] - [ -0.0022324400000000, -0.0001981900000000, 0.0026386100000000 ] - [ -0.0011548000000000, -0.0000282300000000, 0.0008704700000000 ] - [ 0.0008099700000000, -0.0000970300000000, -0.0014523000000000 ] - [ 0.0014326300000000, -0.0011943100000000, -0.0024332800000000 ] - [ -0.0015732800000000, 0.0018529700000000, 0.0006230700000000 ] - [ -0.0022871100000000, -0.0020310900000000, 0.0010375900000000 ] - [ 0.0003579700000000, 0.0002224900000000, 0.0000605400000000 ] - [ 0.0004946700000000, 0.0006198100000000, 0.0001145400000000 ] - [ 0.0340176900000000, 0.0027760000000000, 0.0135979800000000 ] - [ 0.0003705400000000, -0.0003028000000000, -0.0001532100000000 ] - [ 0.0107357200000000, -0.0049289200000000, -0.0022922200000000 ] - [ 0.0021422900000000, -0.0017680600000000, -0.0012776300000000 ] - [ -0.0010751900000000, 0.0006981900000000, -0.0000010200000000 ] - [ -0.0065379000000000, -0.0033338200000000, -0.0011081800000000 ] - [ -0.0004435000000000, 0.0006892000000000, 0.0013394700000000 ] - [ -0.0004439600000000, -0.0015706100000000, 0.0008531800000000 ] - [ -0.0009926100000000, 0.0003825400000000, -0.0002505600000000 ] - [ -0.0005093700000000, 0.0003798400000000, -0.0001706100000000 ] - [ 0.0003483000000000, 0.0005732700000000, 0.0003652800000000 ] - [ 0.0002830300000000, 0.0004184700000000, 0.0003605700000000 ] - [ -0.0031026000000000, 0.0013573200000000, -0.0051089000000000 ] - [ -0.0006601200000000, -0.0001889800000000, 0.0003529100000000 ] - [ 0.0010363800000000, 0.0001878000000000, 0.0001071400000000 ] - [ 0.0005487800000000, -0.0000445900000000, -0.0002169400000000 ] - [ -0.0007264800000000, -0.0001889600000000, 0.0000896100000000 ] - [ -0.0005310300000000, -0.0001868700000000, 0.0001433400000000 ] - [ -0.0058708300000000, -0.0024971200000000, -0.0009818500000000 ] - [ -0.0007261900000000, 0.0003251400000000, -0.0000545900000000 ] - [ -0.0068627600000000, 0.0025230900000000, -0.0001389500000000 ] - [ -0.0009485000000000, -0.0008683000000000, -0.0002322100000000 ] - [ -0.0035272400000000, 0.0017170300000000, -0.0047022300000000 ] - [ 0.0000589100000000, -0.0004635300000000, 0.0004343900000000 ] - [ 0.0142989900000000, 0.0007648500000000, 0.0031295100000000 ] - [ -0.0002189000000000, 0.0006186700000000, -0.0007889800000000 ] - [ -0.0001732500000000, -0.0003087500000000, -0.0003953100000000 ] - [ -0.0003683700000000, -0.0006287200000000, -0.0003851800000000 ]- atom: 25 displacement: [ -0.0099999999631191, 0.0000000000000000, 0.0000008588465536 ] forces: - [ 0.0005484000000000, 0.0096652000000000, -0.0054686200000000 ] - [ 0.0025929600000000, -0.0087116700000000, -0.0036491300000000 ] - [ 0.0065676800000000, 0.0006809600000000, -0.0011357900000000 ] - [ 0.0012901900000000, -0.0001344800000000, 0.0004224700000000 ] - [ 0.0043864900000000, 0.0004531000000000, 0.0026327100000000 ] - [ 0.0009137100000000, -0.0001615600000000, 0.0005466800000000 ] - [ -0.0023627800000000, 0.0008660400000000, -0.0002048200000000 ] - [ -0.0017683300000000, -0.0007573400000000, -0.0005541400000000 ] - [ -0.0173790000000000, 0.0003443400000000, 0.0078121300000000 ] - [ -0.0009225500000000, -0.0001126900000000, -0.0002956900000000 ] - [ -0.0000779100000000, 0.0000974600000000, 0.0003033500000000 ] - [ -0.0001340400000000, -0.0000050800000000, 0.0005124000000000 ] - [ -0.0011046200000000, -0.0008201900000000, -0.0005300100000000 ] - [ -0.0016816600000000, 0.0010316900000000, -0.0005281500000000 ] - [ -0.0000596400000000, -0.0001435600000000, -0.0016479900000000 ] - [ -0.0000506700000000, -0.0000819000000000, -0.0004056100000000 ] - [ 0.0014739600000000, -0.0087434500000000, -0.0024571800000000 ] - [ 0.0002060000000000, 0.0092057900000000, -0.0043345500000000 ] - [ 0.0002205900000000, -0.0002151500000000, -0.0013746500000000 ] - [ 0.0000817400000000, -0.0000489400000000, 0.0001515500000000 ] - [ -0.0135898500000000, 0.0001015000000000, 0.0093166600000000 ] - [ -0.0007720200000000, -0.0002314700000000, 0.0004961000000000 ] - [ -0.0000040800000000, -0.0000118900000000, 0.0009206500000000 ] - [ 0.0000498200000000, 0.0001908100000000, 0.0009383200000000 ] - [ 0.1230987800000000, -0.0082466200000000, 0.0104288500000000 ] - [ 0.0017992800000000, -0.0000177800000000, -0.0013173700000000 ] - [ 0.0006267800000000, -0.0000158900000000, -0.0000816600000000 ] - [ 0.0004891000000000, -0.0001543800000000, -0.0001569200000000 ] - [ -0.0005634700000000, 0.0001125700000000, 0.0000960100000000 ] - [ -0.0005639400000000, 0.0001149900000000, 0.0001164300000000 ] - [ -0.0031739600000000, 0.0002192800000000, 0.0010504300000000 ] - [ -0.0033934000000000, -0.0000813700000000, 0.0011837900000000 ] - [ -0.0014755700000000, 0.0001025300000000, 0.0014821400000000 ] - [ -0.0006114200000000, -0.0002444000000000, 0.0009671900000000 ] - [ -0.0189685800000000, 0.0009494300000000, -0.0090762500000000 ] - [ -0.0006619600000000, 0.0003991000000000, -0.0011992000000000 ] - [ 0.0008456700000000, -0.0002597100000000, -0.0015801400000000 ] - [ 0.0011069300000000, 0.0003514700000000, -0.0009404300000000 ] - [ -0.0155278300000000, 0.0014903300000000, -0.0076422400000000 ] - [ -0.0004605500000000, 0.0000801200000000, 0.0002463500000000 ] - [ 0.0010937100000000, 0.0003768100000000, 0.0005891700000000 ] - [ 0.0006801100000000, -0.0000426500000000, -0.0000702500000000 ] - [ -0.0010689000000000, 0.0000874200000000, -0.0001211600000000 ] - [ -0.0006100000000000, -0.0004092300000000, -0.0004616600000000 ] - [ -0.0031593400000000, -0.0072711900000000, 0.0021869600000000 ] - [ -0.0040124900000000, 0.0057388000000000, 0.0029440300000000 ] - [ -0.0027634200000000, 0.0042439200000000, 0.0046085400000000 ] - [ -0.0014499200000000, -0.0080273500000000, 0.0030914900000000 ] - [ 0.0005449400000000, -0.0001042100000000, 0.0000097900000000 ] - [ 0.0009444700000000, -0.0001033100000000, 0.0000668500000000 ] - [ 0.0088162400000000, -0.0022481200000000, -0.0004432200000000 ] - [ 0.0012400100000000, 0.0001947300000000, 0.0002604300000000 ] - [ -0.0006294800000000, -0.0001150100000000, -0.0002184400000000 ] - [ -0.0007793700000000, -0.0002399800000000, -0.0000573000000000 ] - [ 0.0014439400000000, 0.0012857900000000, -0.0021983600000000 ] - [ 0.0017464500000000, -0.0008319400000000, -0.0030076900000000 ] - [ -0.0104504500000000, -0.0008034500000000, 0.0016087600000000 ] - [ -0.0010340100000000, -0.0028918800000000, -0.0003817600000000 ] - [ -0.0004727400000000, 0.0011288100000000, 0.0012628300000000 ] - [ -0.0003285900000000, -0.0005257100000000, 0.0003390100000000 ] - [ -0.0010728400000000, 0.0022493900000000, 0.0010832100000000 ] - [ -0.0108153900000000, 0.0046098000000000, 0.0023735900000000 ] - [ 0.0016613700000000, 0.0004523200000000, -0.0008257700000000 ] - [ 0.0007614400000000, 0.0004032400000000, 0.0004520000000000 ] - [ 0.0009014600000000, 0.0001106000000000, 0.0002307400000000 ] - [ 0.0005084500000000, 0.0001940500000000, 0.0001446400000000 ] - [ 0.0028529300000000, 0.0017782300000000, -0.0007626300000000 ] - [ 0.0027613300000000, -0.0017171900000000, -0.0001436800000000 ] - [ -0.0009209100000000, -0.0001260700000000, -0.0001771400000000 ] - [ -0.0006420000000000, 0.0003510800000000, 0.0000741500000000 ] - [ -0.0002798800000000, -0.0004702700000000, 0.0002673100000000 ] - [ -0.0001918200000000, -0.0005258000000000, 0.0000871900000000 ] - [ -0.0004351700000000, -0.0004043900000000, -0.0006965100000000 ] - [ -0.0004477700000000, -0.0002699800000000, -0.0005741300000000 ] - [ -0.0096408400000000, 0.0008848100000000, -0.0012786600000000 ] - [ -0.0002052600000000, -0.0023188000000000, -0.0006711000000000 ] - [ 0.0010211400000000, 0.0002604400000000, -0.0015112100000000 ] - [ -0.0000617100000000, 0.0000938600000000, 0.0002411400000000 ] - [ -0.0012977400000000, -0.0004895000000000, -0.0001464100000000 ] - [ -0.0019249300000000, 0.0006121300000000, 0.0008444100000000 ] - [ 0.0009247700000000, -0.0008420400000000, -0.0009878000000000 ] - [ 0.0016494300000000, 0.0030623100000000, -0.0014105200000000 ] - [ 0.0005647000000000, 0.0005110300000000, 0.0006961500000000 ] - [ 0.0004301100000000, 0.0001151500000000, 0.0006433800000000 ] - [ -0.0357724400000000, -0.0041371400000000, -0.0145874000000000 ] - [ 0.0002427200000000, -0.0007148800000000, 0.0005075200000000 ] - [ -0.0111663700000000, 0.0051312600000000, 0.0018760700000000 ] - [ -0.0026398100000000, 0.0020113000000000, 0.0008914900000000 ] - [ 0.0008302600000000, -0.0000363900000000, 0.0002842400000000 ] - [ 0.0062889300000000, 0.0040015200000000, 0.0013960000000000 ] - [ -0.0000525100000000, -0.0000997700000000, -0.0029212700000000 ] - [ -0.0000476100000000, 0.0021445100000000, -0.0024440900000000 ] - [ 0.0005573100000000, 0.0005067300000000, -0.0000473400000000 ] - [ 0.0000743000000000, 0.0005104600000000, -0.0001297300000000 ] - [ 0.0002679600000000, 0.0004425200000000, -0.0000090500000000 ] - [ 0.0003348600000000, 0.0005993400000000, -0.0000034700000000 ] - [ 0.0018781800000000, -0.0014211700000000, 0.0062013000000000 ] - [ -0.0005562600000000, 0.0001256400000000, 0.0007540700000000 ] - [ -0.0008042500000000, 0.0004800000000000, -0.0003935000000000 ] - [ -0.0003153500000000, 0.0007133900000000, -0.0000673100000000 ] - [ 0.0004825800000000, -0.0004790700000000, 0.0001927100000000 ] - [ 0.0002874900000000, -0.0004776900000000, 0.0001389300000000 ] - [ 0.0061745600000000, 0.0025027100000000, 0.0009969100000000 ] - [ 0.0010272400000000, -0.0003097600000000, 0.0000753900000000 ] - [ 0.0064158900000000, -0.0034047700000000, -0.0001705600000000 ] - [ 0.0005118200000000, -0.0000224500000000, -0.0000669800000000 ] - [ 0.0040128300000000, -0.0023029400000000, 0.0063148200000000 ] - [ 0.0004186400000000, -0.0001228500000000, 0.0011651900000000 ] - [ -0.0138796800000000, 0.0001152800000000, -0.0030592000000000 ] - [ -0.0007019900000000, 0.0001171600000000, 0.0000349100000000 ] - [ -0.0004544500000000, -0.0007087500000000, 0.0000381100000000 ] - [ -0.0002571500000000, -0.0003880200000000, 0.0000282200000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0096581800000000, 0.0096986100000000, -0.0091858200000000 ] - [ 0.0080141000000000, 0.0081089300000000, 0.0051503100000000 ] - [ -0.0003281400000000, -0.0075524300000000, 0.0021826500000000 ] - [ 0.0001915700000000, 0.0029907700000000, -0.0001448100000000 ] - [ 0.0001327400000000, -0.0076713600000000, 0.0026925700000000 ] - [ 0.0001746600000000, 0.0029383500000000, -0.0003021900000000 ] - [ 0.0006075900000000, -0.0006479200000000, -0.0006128500000000 ] - [ -0.0010062100000000, 0.0005355600000000, 0.0008313100000000 ] - [ -0.0011115800000000, -0.0066045900000000, -0.0001223200000000 ] - [ 0.0001810000000000, 0.0032069600000000, -0.0005704300000000 ] - [ -0.0004616000000000, 0.0002259400000000, 0.0009958700000000 ] - [ 0.0001232900000000, 0.0000185600000000, -0.0012767800000000 ] - [ -0.0002868700000000, 0.0003380300000000, 0.0007053200000000 ] - [ 0.0000369600000000, -0.0001949800000000, -0.0003843600000000 ] - [ 0.0000721400000000, -0.0007451900000000, -0.0001190300000000 ] - [ 0.0000535000000000, 0.0006638100000000, -0.0002809600000000 ] - [ 0.0098210900000000, 0.0080021100000000, 0.0054521300000000 ] - [ -0.0091304400000000, 0.0088601100000000, -0.0072461400000000 ] - [ 0.0001487900000000, -0.0007497000000000, 0.0005904800000000 ] - [ 0.0001223100000000, 0.0007872900000000, 0.0002720100000000 ] - [ 0.0006219300000000, -0.0058978300000000, 0.0006544100000000 ] - [ -0.0000587800000000, 0.0032070900000000, 0.0001654300000000 ] - [ 0.0001845300000000, -0.0001261300000000, -0.0005608400000000 ] - [ -0.0002438700000000, 0.0002981700000000, 0.0014911100000000 ] - [ 0.0087640600000000, -0.1169244300000000, -0.0174916600000000 ] - [ 0.0003497600000000, 0.0053934300000000, -0.0004982200000000 ] - [ 0.0003202200000000, -0.0010068800000000, -0.0002747500000000 ] - [ 0.0001780400000000, 0.0007279800000000, -0.0001209700000000 ] - [ -0.0002200100000000, 0.0001086500000000, 0.0002841500000000 ] - [ -0.0002218100000000, 0.0001107800000000, 0.0003156300000000 ] - [ -0.0005491500000000, -0.0006710900000000, -0.0000818100000000 ] - [ -0.0002528300000000, 0.0000322400000000, -0.0000995200000000 ] - [ -0.0002573400000000, -0.0014645600000000, 0.0002996400000000 ] - [ 0.0000955800000000, 0.0011072400000000, 0.0007429400000000 ] - [ 0.0015023900000000, -0.0005040200000000, 0.0000340600000000 ] - [ -0.0006775100000000, 0.0026138100000000, -0.0010529100000000 ] - [ 0.0000950900000000, 0.0006849400000000, 0.0012295000000000 ] - [ -0.0000849600000000, -0.0001253700000000, -0.0019366600000000 ] - [ 0.0012324600000000, -0.0010679600000000, 0.0008609800000000 ] - [ -0.0005621800000000, 0.0024282700000000, 0.0006390900000000 ] - [ -0.0001369500000000, -0.0004351500000000, -0.0007497400000000 ] - [ 0.0002554800000000, 0.0014336500000000, 0.0025759600000000 ] - [ -0.0003983000000000, -0.0018090400000000, -0.0014091300000000 ] - [ -0.0000355900000000, 0.0007081300000000, -0.0004897200000000 ] - [ 0.0076429000000000, 0.0097266400000000, -0.0055696600000000 ] - [ -0.0067564200000000, 0.0124969700000000, 0.0066756600000000 ] - [ -0.0090410600000000, 0.0111289700000000, 0.0110243600000000 ] - [ 0.0064656900000000, 0.0098682100000000, -0.0042151200000000 ] - [ 0.0000399500000000, -0.0005525800000000, 0.0000915000000000 ] - [ 0.0002554500000000, 0.0006551000000000, -0.0001082500000000 ] - [ -0.0011528600000000, 0.0019135200000000, 0.0007346300000000 ] - [ 0.0007221400000000, -0.0017648600000000, -0.0000274700000000 ] - [ -0.0003500200000000, -0.0003976400000000, 0.0001538000000000 ] - [ -0.0001806200000000, 0.0001751600000000, -0.0006955800000000 ] - [ -0.0008913500000000, -0.0021649000000000, 0.0024373500000000 ] - [ 0.0028731200000000, -0.0014303300000000, -0.0063619700000000 ] - [ 0.0002576200000000, 0.0113405900000000, -0.0026288400000000 ] - [ -0.0001602100000000, -0.0062167100000000, -0.0012703500000000 ] - [ -0.0002516500000000, 0.0002180900000000, -0.0031388600000000 ] - [ 0.0011373900000000, -0.0007057200000000, 0.0015535200000000 ] - [ -0.0011700900000000, -0.0044683200000000, 0.0014747300000000 ] - [ -0.0031353600000000, 0.0169193900000000, 0.0043562500000000 ] - [ -0.0005579000000000, 0.0013776900000000, 0.0017179900000000 ] - [ 0.0003997900000000, -0.0007160100000000, 0.0002630300000000 ] - [ 0.0002181400000000, 0.0004966900000000, 0.0002943600000000 ] - [ 0.0002011700000000, -0.0002479400000000, 0.0000844300000000 ] - [ -0.0032251800000000, -0.0013213000000000, 0.0003170000000000 ] - [ 0.0053889100000000, -0.0038152800000000, 0.0005392200000000 ] - [ 0.0000789900000000, 0.0008039100000000, 0.0004274700000000 ] - [ -0.0002220500000000, -0.0007636200000000, -0.0003933000000000 ] - [ 0.0001982600000000, 0.0001464400000000, -0.0003362200000000 ] - [ 0.0001648200000000, -0.0010018100000000, 0.0004543900000000 ] - [ -0.0004009100000000, 0.0003842500000000, -0.0004854700000000 ] - [ -0.0005444800000000, -0.0010781400000000, -0.0003487100000000 ] - [ -0.0010415800000000, 0.0088159000000000, 0.0018545200000000 ] - [ 0.0005437700000000, -0.0074282200000000, -0.0019679900000000 ] - [ -0.0013518100000000, 0.0017336000000000, 0.0011717800000000 ] - [ -0.0005049100000000, -0.0013257900000000, 0.0002248100000000 ] - [ 0.0000948100000000, -0.0011969500000000, 0.0015063100000000 ] - [ -0.0009857100000000, -0.0002899500000000, -0.0034707300000000 ] - [ 0.0055230600000000, -0.0022726200000000, -0.0005189900000000 ] - [ -0.0036517100000000, -0.0008811600000000, -0.0004817500000000 ] - [ 0.0001595600000000, 0.0001497800000000, -0.0001391000000000 ] - [ 0.0007885100000000, 0.0005519700000000, 0.0006209300000000 ] - [ 0.0046362900000000, 0.0095911900000000, 0.0027868300000000 ] - [ 0.0005227700000000, -0.0032331400000000, 0.0003399200000000 ] - [ -0.0076222900000000, 0.0323023900000000, 0.0114475200000000 ] - [ -0.0012851800000000, -0.0052718700000000, 0.0012264400000000 ] - [ 0.0002072000000000, -0.0009952900000000, 0.0007193300000000 ] - [ -0.0001185300000000, 0.0014291700000000, -0.0002170300000000 ] - [ 0.0020247300000000, 0.0005182200000000, -0.0075545400000000 ] - [ -0.0008469800000000, -0.0022683500000000, 0.0017257900000000 ] - [ -0.0002330200000000, 0.0009177700000000, -0.0001355800000000 ] - [ -0.0002151500000000, -0.0000394300000000, -0.0002692000000000 ] - [ 0.0004208900000000, 0.0012939200000000, 0.0001787800000000 ] - [ 0.0002349500000000, -0.0001538000000000, 0.0001542300000000 ] - [ -0.0010610900000000, 0.0008775300000000, -0.0002766900000000 ] - [ -0.0004819500000000, -0.0009219300000000, 0.0005761400000000 ] - [ 0.0001242000000000, 0.0014485700000000, 0.0002833700000000 ] - [ 0.0001484900000000, -0.0006370200000000, -0.0004457300000000 ] - [ 0.0000225200000000, 0.0003310200000000, -0.0000098300000000 ] - [ -0.0002010600000000, -0.0008805800000000, 0.0001714200000000 ] - [ 0.0002221400000000, 0.0013300600000000, -0.0002611000000000 ] - [ 0.0001950000000000, -0.0013004300000000, 0.0004488700000000 ] - [ -0.0013827700000000, 0.0016468900000000, 0.0005873300000000 ] - [ 0.0000045000000000, -0.0021735500000000, -0.0006189800000000 ] - [ -0.0003339300000000, 0.0008891600000000, -0.0002709100000000 ] - [ 0.0003504200000000, -0.0013344100000000, 0.0009445600000000 ] - [ 0.0003383000000000, 0.0101219800000000, 0.0003107700000000 ] - [ -0.0002047700000000, -0.0023278400000000, -0.0002029200000000 ] - [ 0.0000285100000000, -0.0002234800000000, 0.0000663200000000 ] - [ -0.0006694000000000, -0.0008305500000000, -0.0006786600000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0092222200000000, -0.0095859200000000, 0.0084701500000000 ] - [ -0.0084395500000000, -0.0081457000000000, -0.0058551600000000 ] - [ 0.0006685500000000, 0.0076183100000000, -0.0023419700000000 ] - [ 0.0001452500000000, -0.0028986100000000, 0.0000426300000000 ] - [ 0.0001919600000000, 0.0075996000000000, -0.0027693300000000 ] - [ 0.0001624200000000, -0.0030344200000000, 0.0001825600000000 ] - [ -0.0009438900000000, 0.0005451100000000, 0.0007246100000000 ] - [ 0.0006716500000000, -0.0006262300000000, -0.0007207200000000 ] - [ 0.0012010000000000, 0.0067034400000000, -0.0004999400000000 ] - [ -0.0000407700000000, -0.0031191300000000, -0.0000810500000000 ] - [ 0.0001224000000000, -0.0002592000000000, -0.0016196900000000 ] - [ -0.0004623300000000, -0.0000467100000000, 0.0006475800000000 ] - [ -0.0000501700000000, -0.0002503900000000, -0.0005922300000000 ] - [ -0.0003728200000000, 0.0002966500000000, 0.0004962700000000 ] - [ 0.0000644300000000, 0.0006537800000000, -0.0005322600000000 ] - [ 0.0000833200000000, -0.0007538400000000, -0.0003653600000000 ] - [ -0.0098727300000000, -0.0080286000000000, -0.0047393300000000 ] - [ 0.0091019200000000, -0.0090222400000000, 0.0079659700000000 ] - [ 0.0001877600000000, 0.0007822200000000, 0.0000429400000000 ] - [ 0.0002151700000000, -0.0007562700000000, 0.0003528300000000 ] - [ -0.0002499700000000, 0.0058619200000000, -0.0000556600000000 ] - [ 0.0003919400000000, -0.0032381600000000, 0.0004681300000000 ] - [ -0.0003222000000000, 0.0002140700000000, 0.0012117300000000 ] - [ 0.0001073200000000, -0.0002057300000000, -0.0008449800000000 ] - [ -0.0083709000000000, 0.1159530900000000, 0.0168049800000000 ] - [ 0.0000990800000000, -0.0051935100000000, 0.0000561700000000 ] - [ 0.0001271200000000, 0.0007962400000000, -0.0001582700000000 ] - [ 0.0002668500000000, -0.0009365600000000, -0.0003149300000000 ] - [ -0.0002258400000000, 0.0000977500000000, 0.0001556100000000 ] - [ -0.0002231500000000, 0.0001003400000000, 0.0001204000000000 ] - [ 0.0000963000000000, 0.0004575500000000, 0.0005149600000000 ] - [ -0.0001891000000000, -0.0002254300000000, 0.0005312400000000 ] - [ 0.0000646700000000, 0.0011814000000000, 0.0008310100000000 ] - [ -0.0002886000000000, -0.0013966400000000, 0.0003814200000000 ] - [ -0.0018812800000000, 0.0012532700000000, -0.0017137600000000 ] - [ 0.0002568100000000, -0.0018665600000000, -0.0006475900000000 ] - [ 0.0000983700000000, -0.0004026900000000, -0.0023566800000000 ] - [ 0.0002755000000000, 0.0004184900000000, 0.0008136300000000 ] - [ -0.0014563700000000, 0.0013609900000000, 0.0002463000000000 ] - [ 0.0003750400000000, -0.0021447800000000, 0.0004960600000000 ] - [ 0.0005493300000000, 0.0011743300000000, 0.0024409900000000 ] - [ 0.0001572000000000, -0.0006870100000000, -0.0008844100000000 ] - [ -0.0000166100000000, 0.0010591200000000, -0.0002887200000000 ] - [ -0.0003772300000000, -0.0014538500000000, -0.0012050500000000 ] - [ -0.0074189600000000, -0.0100160800000000, 0.0043726300000000 ] - [ 0.0069784400000000, -0.0128233400000000, -0.0078493200000000 ] - [ 0.0094405900000000, -0.0117963200000000, -0.0092861500000000 ] - [ -0.0061014400000000, -0.0105902900000000, 0.0060045600000000 ] - [ 0.0002643000000000, 0.0005496000000000, -0.0000708000000000 ] - [ 0.0000488500000000, -0.0006640600000000, 0.0001287200000000 ] - [ 0.0016285000000000, -0.0021505000000000, -0.0003498100000000 ] - [ -0.0002283900000000, 0.0015113100000000, 0.0004133500000000 ] - [ -0.0001440400000000, 0.0001466300000000, -0.0005378100000000 ] - [ -0.0003114600000000, -0.0004291900000000, 0.0003103900000000 ] - [ 0.0021116900000000, 0.0022472000000000, -0.0035529300000000 ] - [ -0.0016592500000000, 0.0014938300000000, 0.0052557400000000 ] - [ -0.0003941100000000, -0.0110681000000000, 0.0022113300000000 ] - [ -0.0001519900000000, 0.0062025600000000, 0.0012584900000000 ] - [ 0.0014590700000000, -0.0002727200000000, 0.0020282600000000 ] - [ 0.0000736200000000, 0.0006377900000000, -0.0026739200000000 ] - [ 0.0015854500000000, 0.0053570900000000, -0.0011570700000000 ] - [ 0.0041516300000000, -0.0171049500000000, -0.0048294300000000 ] - [ 0.0010429700000000, -0.0007903500000000, -0.0001063500000000 ] - [ 0.0000865500000000, 0.0013065300000000, 0.0013435900000000 ] - [ 0.0002739700000000, -0.0002452200000000, 0.0000918300000000 ] - [ 0.0002911800000000, 0.0005008700000000, 0.0002998500000000 ] - [ 0.0041472900000000, 0.0005971000000000, 0.0004471800000000 ] - [ -0.0044668700000000, 0.0030807300000000, 0.0002257700000000 ] - [ -0.0003827900000000, -0.0008026700000000, -0.0004465400000000 ] - [ -0.0000833600000000, 0.0007707100000000, 0.0003702600000000 ] - [ 0.0002303200000000, -0.0010324700000000, 0.0006338100000000 ] - [ 0.0002640500000000, 0.0001114700000000, -0.0001573900000000 ] - [ -0.0005273300000000, -0.0011211800000000, -0.0002730000000000 ] - [ -0.0003837800000000, 0.0003441300000000, -0.0004097700000000 ] - [ 0.0011532600000000, -0.0097037200000000, -0.0018519200000000 ] - [ -0.0003099300000000, 0.0067865800000000, 0.0016884200000000 ] - [ 0.0001376700000000, -0.0016704500000000, -0.0000690700000000 ] - [ -0.0007091100000000, 0.0013912200000000, 0.0008881000000000 ] - [ -0.0005834600000000, 0.0006102500000000, -0.0031012700000000 ] - [ 0.0005011600000000, -0.0003057000000000, 0.0018731900000000 ] - [ -0.0061243400000000, 0.0032807600000000, 0.0001589800000000 ] - [ 0.0030378700000000, 0.0018832300000000, 0.0001176500000000 ] - [ 0.0007660500000000, 0.0005866200000000, 0.0008945000000000 ] - [ 0.0001387600000000, 0.0001800100000000, 0.0001369200000000 ] - [ -0.0038075000000000, -0.0105446800000000, -0.0023260500000000 ] - [ 0.0001056400000000, 0.0022148500000000, 0.0000208000000000 ] - [ 0.0064809100000000, -0.0299749500000000, -0.0106784200000000 ] - [ 0.0008110300000000, 0.0055503800000000, -0.0016429000000000 ] - [ -0.0004365600000000, 0.0016661100000000, -0.0004346300000000 ] - [ -0.0001315300000000, -0.0007821900000000, 0.0004940000000000 ] - [ -0.0025046100000000, 0.0000697200000000, 0.0059197700000000 ] - [ 0.0003608700000000, 0.0028343200000000, -0.0033367000000000 ] - [ -0.0001961300000000, -0.0000280300000000, -0.0001641900000000 ] - [ -0.0002134200000000, 0.0009280400000000, -0.0000288900000000 ] - [ 0.0002018500000000, -0.0002761900000000, 0.0001777200000000 ] - [ 0.0003867500000000, 0.0011702800000000, 0.0002010300000000 ] - [ -0.0001447800000000, -0.0009487500000000, 0.0014060300000000 ] - [ -0.0007320200000000, 0.0008596800000000, 0.0005259800000000 ] - [ 0.0001103800000000, -0.0007789100000000, -0.0005668100000000 ] - [ 0.0000870700000000, 0.0013028100000000, 0.0001644600000000 ] - [ -0.0002566000000000, -0.0009979500000000, 0.0002923900000000 ] - [ -0.0000338500000000, 0.0002098700000000, 0.0001102900000000 ] - [ 0.0000980900000000, -0.0013080000000000, 0.0002874900000000 ] - [ 0.0001061400000000, 0.0013046600000000, -0.0004305600000000 ] - [ 0.0009636800000000, -0.0025549100000000, -0.0008859800000000 ] - [ -0.0004366400000000, 0.0012861500000000, 0.0003191100000000 ] - [ 0.0008084900000000, -0.0014721700000000, 0.0018626400000000 ] - [ 0.0001372800000000, 0.0007444400000000, 0.0006653100000000 ] - [ -0.0013837400000000, -0.0094007100000000, -0.0011365800000000 ] - [ -0.0007306300000000, 0.0030670500000000, -0.0005584500000000 ] - [ -0.0006493700000000, -0.0007912700000000, -0.0004220500000000 ] - [ 0.0000465100000000, -0.0001880300000000, 0.0003231700000000 ]- atom: 25 displacement: [ -0.0004120271249244, 0.0000000000000000, 0.0099915080767783 ] forces: - [ 0.0049549100000000, -0.0074529100000000, -0.0050103000000000 ] - [ 0.0033795400000000, 0.0060099500000000, -0.0039333500000000 ] - [ 0.0028347000000000, 0.0039109300000000, 0.0169896500000000 ] - [ 0.0010254900000000, -0.0003718500000000, 0.0006218300000000 ] - [ -0.0013478100000000, 0.0034281400000000, 0.0141575500000000 ] - [ 0.0005185300000000, -0.0005195200000000, 0.0008876700000000 ] - [ -0.0007649500000000, -0.0008642500000000, 0.0005224200000000 ] - [ -0.0006097400000000, 0.0007606600000000, 0.0005889700000000 ] - [ -0.0074272600000000, 0.0005344600000000, -0.0063441000000000 ] - [ -0.0007394800000000, 0.0000743900000000, -0.0021233900000000 ] - [ -0.0004523300000000, 0.0004714500000000, 0.0023114900000000 ] - [ -0.0005778800000000, -0.0001882900000000, 0.0026414600000000 ] - [ -0.0000466000000000, 0.0009159600000000, 0.0007717000000000 ] - [ -0.0001871800000000, -0.0008349900000000, 0.0007641600000000 ] - [ 0.0003298200000000, 0.0001293300000000, 0.0023491800000000 ] - [ 0.0002079000000000, -0.0000346700000000, 0.0011288500000000 ] - [ 0.0036286900000000, 0.0053533000000000, -0.0040919000000000 ] - [ 0.0044879000000000, -0.0060868400000000, -0.0054543000000000 ] - [ 0.0004744700000000, 0.0002045000000000, 0.0027649200000000 ] - [ 0.0003344500000000, 0.0000021800000000, 0.0016281900000000 ] - [ -0.0078469800000000, 0.0010572600000000, -0.0038661900000000 ] - [ -0.0006974800000000, -0.0000567400000000, -0.0011569100000000 ] - [ -0.0002864400000000, -0.0000629700000000, 0.0032721900000000 ] - [ -0.0002210800000000, 0.0004301100000000, 0.0028713800000000 ] - [ -0.0050810900000000, -0.0174396200000000, -0.1013784400000000 ] - [ 0.0013846400000000, -0.0001789300000000, -0.0038104500000000 ] - [ 0.0001068000000000, -0.0000491900000000, 0.0025171700000000 ] - [ 0.0001751200000000, -0.0002097500000000, 0.0014911900000000 ] - [ -0.0001349800000000, 0.0000108400000000, 0.0018245300000000 ] - [ -0.0001127200000000, 0.0000490700000000, 0.0018241200000000 ] - [ -0.0011759900000000, -0.0003950600000000, -0.0030747600000000 ] - [ -0.0013207900000000, -0.0004176900000000, -0.0030659800000000 ] - [ -0.0005990600000000, 0.0000016200000000, 0.0036399300000000 ] - [ -0.0004289900000000, -0.0005835500000000, 0.0020836400000000 ] - [ 0.0075848100000000, 0.0001980800000000, 0.0024245900000000 ] - [ -0.0002783500000000, 0.0000154400000000, -0.0019701400000000 ] - [ 0.0004498200000000, 0.0009997400000000, 0.0023130600000000 ] - [ 0.0010298100000000, -0.0011914000000000, 0.0018698800000000 ] - [ 0.0075592600000000, -0.0009731200000000, 0.0047649900000000 ] - [ -0.0001134200000000, -0.0000711400000000, -0.0002421700000000 ] - [ 0.0009824300000000, -0.0008462900000000, 0.0034268800000000 ] - [ 0.0004608600000000, 0.0013025400000000, 0.0039681500000000 ] - [ -0.0004990000000000, -0.0000942600000000, 0.0019611500000000 ] - [ -0.0004964300000000, -0.0006704200000000, 0.0006952500000000 ] - [ -0.0085443500000000, -0.0138582600000000, -0.0005035800000000 ] - [ -0.0048648500000000, 0.0074158400000000, 0.0035524700000000 ] - [ -0.0051390000000000, 0.0064814200000000, 0.0047021000000000 ] - [ -0.0067168200000000, -0.0160103400000000, -0.0005411700000000 ] - [ 0.0004414100000000, 0.0002201700000000, -0.0009461900000000 ] - [ 0.0004869300000000, -0.0003692700000000, -0.0012910100000000 ] - [ -0.0023100400000000, 0.0016004000000000, 0.0025842900000000 ] - [ 0.0007196200000000, -0.0000636900000000, 0.0016389200000000 ] - [ -0.0001651200000000, 0.0003402600000000, -0.0018603100000000 ] - [ -0.0001798100000000, -0.0002062400000000, -0.0023942700000000 ] - [ 0.0026936500000000, 0.0032877300000000, -0.0037082000000000 ] - [ 0.0021791400000000, -0.0017044100000000, -0.0032198900000000 ] - [ -0.0015703800000000, -0.0021314100000000, 0.0146847200000000 ] - [ -0.0004661500000000, -0.0035043100000000, 0.0001027100000000 ] - [ -0.0003867100000000, -0.0018221200000000, -0.0025216700000000 ] - [ -0.0002707900000000, 0.0009917200000000, -0.0013823000000000 ] - [ -0.0001569400000000, 0.0048854700000000, 0.0039156100000000 ] - [ -0.0028179800000000, 0.0064758000000000, 0.0134921400000000 ] - [ 0.0014961800000000, 0.0000042100000000, -0.0009325900000000 ] - [ 0.0006197800000000, 0.0000919300000000, 0.0001683600000000 ] - [ 0.0003846200000000, 0.0003865400000000, -0.0015172300000000 ] - [ 0.0003417600000000, 0.0002639700000000, -0.0008956400000000 ] - [ 0.0045854400000000, 0.0019181900000000, 0.0041196200000000 ] - [ 0.0042408500000000, -0.0026124200000000, 0.0023912100000000 ] - [ -0.0007192600000000, 0.0010906100000000, -0.0026087700000000 ] - [ -0.0001383200000000, -0.0003663800000000, -0.0012702900000000 ] - [ 0.0001012000000000, -0.0007741400000000, -0.0022699400000000 ] - [ 0.0001945800000000, 0.0000629800000000, -0.0014018600000000 ] - [ -0.0002853000000000, -0.0003783500000000, -0.0025874700000000 ] - [ -0.0005272300000000, -0.0001701500000000, -0.0016839500000000 ] - [ 0.0010606700000000, 0.0021713900000000, 0.0094142100000000 ] - [ 0.0003030800000000, -0.0033083900000000, -0.0004082300000000 ] - [ 0.0014193100000000, -0.0003024800000000, -0.0012738100000000 ] - [ -0.0000915000000000, -0.0000233700000000, 0.0001162900000000 ] - [ -0.0011269000000000, 0.0007044900000000, -0.0019954900000000 ] - [ -0.0014125500000000, -0.0022207000000000, -0.0032692600000000 ] - [ 0.0029785900000000, -0.0008568500000000, 0.0016278000000000 ] - [ 0.0037226000000000, 0.0030635500000000, 0.0037719900000000 ] - [ -0.0000169300000000, 0.0001559400000000, -0.0012508900000000 ] - [ -0.0000343100000000, 0.0006164700000000, -0.0011710300000000 ] - [ 0.0133521200000000, 0.0013711900000000, 0.0163964900000000 ] - [ 0.0002992700000000, -0.0002491200000000, 0.0018580800000000 ] - [ -0.0040646300000000, 0.0117227700000000, 0.0155360600000000 ] - [ -0.0012669900000000, 0.0045433900000000, 0.0042278300000000 ] - [ 0.0001249100000000, 0.0009626300000000, 0.0009418700000000 ] - [ -0.0023056400000000, -0.0014935800000000, 0.0003178200000000 ] - [ 0.0012916600000000, -0.0018766300000000, -0.0033045700000000 ] - [ 0.0008581700000000, 0.0042487900000000, -0.0032515900000000 ] - [ 0.0000317900000000, 0.0008252400000000, -0.0018642200000000 ] - [ -0.0000714700000000, 0.0005236100000000, -0.0012030500000000 ] - [ 0.0002626300000000, 0.0004675300000000, -0.0016780000000000 ] - [ 0.0002472400000000, 0.0006731900000000, -0.0010535400000000 ] - [ -0.0022257200000000, 0.0004822200000000, -0.0017989900000000 ] - [ -0.0008571000000000, -0.0001792800000000, 0.0005035400000000 ] - [ -0.0006227800000000, 0.0012560300000000, -0.0026993300000000 ] - [ 0.0000498100000000, -0.0000244600000000, -0.0013593000000000 ] - [ 0.0000468200000000, -0.0006133000000000, -0.0010708800000000 ] - [ 0.0000059100000000, -0.0001161000000000, -0.0008307900000000 ] - [ -0.0025011000000000, -0.0017247700000000, -0.0000105300000000 ] - [ 0.0003900600000000, 0.0004941700000000, 0.0007069600000000 ] - [ -0.0029164900000000, 0.0019414300000000, 0.0016500500000000 ] - [ -0.0001759300000000, -0.0006361000000000, 0.0011097400000000 ] - [ -0.0011820100000000, 0.0000726400000000, -0.0007990900000000 ] - [ 0.0001539400000000, -0.0006288000000000, 0.0009746900000000 ] - [ 0.0029743200000000, 0.0005994200000000, 0.0119661200000000 ] - [ -0.0007066800000000, 0.0005544000000000, 0.0011871600000000 ] - [ -0.0008422300000000, -0.0002719100000000, -0.0016383100000000 ] - [ -0.0008419400000000, -0.0007368900000000, -0.0017453600000000 ]- atom: 25 displacement: [ 0.0004120271249244, 0.0000000000000000, -0.0099915080767783 ] forces: - [ -0.0053120600000000, 0.0074795700000000, 0.0044205400000000 ] - [ -0.0037254300000000, -0.0059678200000000, 0.0033268200000000 ] - [ -0.0024728400000000, -0.0037709900000000, -0.0168767900000000 ] - [ -0.0007001000000000, 0.0004677300000000, -0.0007468000000000 ] - [ 0.0017168900000000, -0.0035641700000000, -0.0144531000000000 ] - [ -0.0001860300000000, 0.0004231800000000, -0.0010046000000000 ] - [ 0.0004371400000000, 0.0007691600000000, -0.0003997800000000 ] - [ 0.0002813000000000, -0.0008599100000000, -0.0004652700000000 ] - [ 0.0075563300000000, -0.0004638700000000, 0.0057450600000000 ] - [ 0.0008739500000000, 0.0000047200000000, 0.0014860200000000 ] - [ 0.0001042400000000, -0.0005000600000000, -0.0029500300000000 ] - [ 0.0002291700000000, 0.0001544100000000, -0.0032838700000000 ] - [ -0.0002838000000000, -0.0008157500000000, -0.0006564000000000 ] - [ -0.0001451000000000, 0.0009313300000000, -0.0006475300000000 ] - [ -0.0001952900000000, -0.0002056600000000, -0.0029868800000000 ] - [ -0.0000732300000000, -0.0000441600000000, -0.0017704800000000 ] - [ -0.0037764400000000, -0.0054471300000000, 0.0047069600000000 ] - [ -0.0046185900000000, 0.0060207000000000, 0.0060523000000000 ] - [ -0.0001298900000000, -0.0001757500000000, -0.0021273600000000 ] - [ 0.0000108600000000, 0.0000299300000000, -0.0009890800000000 ] - [ 0.0081697900000000, -0.0010778800000000, 0.0044653700000000 ] - [ 0.0010454800000000, 0.0000205300000000, 0.0017950600000000 ] - [ 0.0001552100000000, 0.0001434000000000, -0.0026312700000000 ] - [ 0.0000886800000000, -0.0003542000000000, -0.0022326900000000 ] - [ 0.0053595300000000, 0.0174600700000000, 0.1010757400000000 ] - [ -0.0009269400000000, 0.0003782700000000, 0.0033644400000000 ] - [ 0.0003517500000000, -0.0001636000000000, -0.0029625300000000 ] - [ 0.0002848000000000, -0.0000016300000000, -0.0019337000000000 ] - [ -0.0003224000000000, 0.0001978700000000, -0.0013796100000000 ] - [ -0.0003454300000000, 0.0001656800000000, -0.0013802400000000 ] - [ 0.0007213000000000, 0.0001853400000000, 0.0035209100000000 ] - [ 0.0008651400000000, 0.0002198300000000, 0.0035060700000000 ] - [ 0.0004204300000000, -0.0002888600000000, -0.0025149800000000 ] - [ 0.0002448500000000, 0.0002970000000000, -0.0009562300000000 ] - [ -0.0079879500000000, 0.0005433200000000, -0.0041170900000000 ] - [ -0.0001225900000000, 0.0007347300000000, 0.0002590400000000 ] - [ -0.0002631800000000, -0.0007082100000000, -0.0034419900000000 ] - [ -0.0008419200000000, 0.0014703200000000, -0.0029934200000000 ] - [ -0.0077314600000000, 0.0012684300000000, -0.0036465100000000 ] - [ -0.0000713200000000, 0.0003537100000000, 0.0013672400000000 ] - [ -0.0005858400000000, 0.0016039500000000, -0.0017126900000000 ] - [ -0.0000612300000000, -0.0005585100000000, -0.0022595300000000 ] - [ 0.0000950300000000, -0.0006536000000000, -0.0036730100000000 ] - [ 0.0000958400000000, -0.0000814900000000, -0.0024138200000000 ] - [ 0.0087426400000000, 0.0136001000000000, -0.0006513000000000 ] - [ 0.0050518500000000, -0.0077144700000000, -0.0046771500000000 ] - [ 0.0055491800000000, -0.0072064700000000, -0.0030215600000000 ] - [ 0.0070974400000000, 0.0152301300000000, 0.0022795600000000 ] - [ -0.0001466200000000, -0.0002401400000000, 0.0009682400000000 ] - [ -0.0001941000000000, 0.0003524500000000, 0.0013134200000000 ] - [ 0.0027677200000000, -0.0018395900000000, -0.0021966600000000 ] - [ -0.0002465100000000, -0.0001822600000000, -0.0012535800000000 ] - [ -0.0003078600000000, -0.0005895000000000, 0.0014744000000000 ] - [ -0.0002902400000000, -0.0000363400000000, 0.0020071700000000 ] - [ -0.0014689000000000, -0.0032131200000000, 0.0025851200000000 ] - [ -0.0009605200000000, 0.0017743100000000, 0.0020901200000000 ] - [ 0.0017100900000000, 0.0028275800000000, -0.0156714900000000 ] - [ 0.0001723000000000, 0.0034757700000000, -0.0001292300000000 ] - [ 0.0015976200000000, 0.0017502900000000, 0.0014159700000000 ] - [ 0.0014851300000000, -0.0010518300000000, 0.0002700800000000 ] - [ 0.0005924700000000, -0.0040053000000000, -0.0036254100000000 ] - [ 0.0034835100000000, -0.0060293100000000, -0.0134594800000000 ] - [ -0.0010319100000000, 0.0005948800000000, 0.0025468200000000 ] - [ -0.0001606200000000, 0.0005118100000000, 0.0014549900000000 ] - [ 0.0000880700000000, -0.0001391600000000, 0.0019035600000000 ] - [ 0.0001297800000000, -0.0000179700000000, 0.0012816900000000 ] - [ -0.0036673600000000, -0.0026650800000000, -0.0033674900000000 ] - [ -0.0033030400000000, 0.0018706600000000, -0.0016284200000000 ] - [ 0.0004220700000000, -0.0010625000000000, 0.0025774500000000 ] - [ -0.0001556000000000, 0.0003829800000000, 0.0012466500000000 ] - [ 0.0003320500000000, -0.0001302900000000, 0.0025629900000000 ] - [ 0.0002417700000000, -0.0009573300000000, 0.0016997800000000 ] - [ -0.0006566500000000, -0.0003601600000000, 0.0018268600000000 ] - [ -0.0004097200000000, -0.0005687800000000, 0.0009202000000000 ] - [ -0.0011655000000000, -0.0033496100000000, -0.0088705400000000 ] - [ -0.0000574700000000, 0.0026659000000000, 0.0001408900000000 ] - [ -0.0026467100000000, 0.0003672800000000, 0.0023873400000000 ] - [ -0.0011271000000000, 0.0000891100000000, 0.0009955700000000 ] - [ 0.0006687600000000, -0.0013109900000000, 0.0003739700000000 ] - [ 0.0009590000000000, 0.0016315200000000, 0.0016552300000000 ] - [ -0.0036134800000000, 0.0018819300000000, -0.0019751100000000 ] - [ -0.0043300200000000, -0.0020335600000000, -0.0041113600000000 ] - [ 0.0009479800000000, 0.0005812800000000, 0.0020099800000000 ] - [ 0.0009661900000000, 0.0001237700000000, 0.0019315400000000 ] - [ -0.0131086100000000, -0.0024488900000000, -0.0161203300000000 ] - [ 0.0003261900000000, -0.0007710500000000, -0.0015079300000000 ] - [ 0.0034930000000000, -0.0110611000000000, -0.0158126700000000 ] - [ 0.0007918900000000, -0.0042795400000000, -0.0046000800000000 ] - [ -0.0003754000000000, -0.0002951300000000, -0.0006655200000000 ] - [ 0.0020391700000000, 0.0021486000000000, -0.0000453600000000 ] - [ -0.0017488900000000, 0.0024610100000000, 0.0017012100000000 ] - [ -0.0013185500000000, -0.0036504900000000, 0.0016327700000000 ] - [ -0.0004694000000000, 0.0000724000000000, 0.0015650800000000 ] - [ -0.0003634800000000, 0.0003776000000000, 0.0009014600000000 ] - [ 0.0003659200000000, 0.0005523700000000, 0.0020299300000000 ] - [ 0.0003791200000000, 0.0003474100000000, 0.0014052100000000 ] - [ 0.0010037900000000, -0.0005506700000000, 0.0029270000000000 ] - [ -0.0003602400000000, 0.0001164200000000, 0.0006088200000000 ] - [ 0.0008758500000000, -0.0005948200000000, 0.0024266200000000 ] - [ 0.0001985100000000, 0.0006939400000000, 0.0010791500000000 ] - [ -0.0002943000000000, -0.0000564700000000, 0.0013521500000000 ] - [ -0.0002549400000000, -0.0005508200000000, 0.0011101300000000 ] - [ 0.0028066900000000, 0.0017487700000000, 0.0000397600000000 ] - [ -0.0000950500000000, -0.0004736800000000, -0.0006793000000000 ] - [ 0.0024862900000000, -0.0028452100000000, -0.0019474000000000 ] - [ -0.0002611900000000, -0.0002607300000000, -0.0014060400000000 ] - [ 0.0016405000000000, -0.0006673600000000, 0.0023964100000000 ] - [ 0.0003068900000000, 0.0000269700000000, 0.0006398300000000 ] - [ -0.0035699100000000, 0.0001778000000000, -0.0125316000000000 ] - [ -0.0002264700000000, 0.0001855100000000, -0.0019456700000000 ] - [ 0.0002198000000000, -0.0007489600000000, 0.0012869100000000 ] - [ 0.0002184600000000, -0.0002817200000000, 0.0013943600000000 ]- atom: 33 displacement: [ 0.0099999999631191, 0.0000000000000000, -0.0000008588465536 ] forces: - [ 0.0015375700000000, 0.0006808600000000, 0.0005109200000000 ] - [ 0.0017335000000000, -0.0002947000000000, -0.0002757800000000 ] - [ 0.0008888400000000, -0.0004036600000000, 0.0015452300000000 ] - [ 0.0003798800000000, 0.0003884900000000, 0.0002443300000000 ] - [ 0.0193817300000000, 0.0014021600000000, -0.0138807800000000 ] - [ 0.0006048800000000, 0.0002385900000000, 0.0001240000000000 ] - [ -0.0033354600000000, 0.0095846400000000, 0.0114349700000000 ] - [ -0.0016980500000000, -0.0082071500000000, 0.0077469000000000 ] - [ -0.0017143100000000, 0.0003920900000000, -0.0043714200000000 ] - [ -0.0010186000000000, -0.0000424800000000, 0.0000339000000000 ] - [ 0.0020861600000000, -0.0003062300000000, -0.0005345700000000 ] - [ 0.0025947400000000, 0.0004650800000000, 0.0000990200000000 ] - [ -0.0007059700000000, 0.0002679600000000, -0.0009733200000000 ] - [ -0.0013469900000000, -0.0003775500000000, -0.0009587700000000 ] - [ -0.0164925200000000, -0.0021033200000000, 0.0014949700000000 ] - [ -0.0013137100000000, 0.0005755800000000, -0.0014566900000000 ] - [ -0.0001364400000000, -0.0003417800000000, 0.0000241800000000 ] - [ -0.0002157700000000, 0.0002609900000000, -0.0000370200000000 ] - [ 0.0299477300000000, 0.0019151900000000, -0.0062897000000000 ] - [ 0.0020206000000000, 0.0000102400000000, 0.0001133000000000 ] - [ 0.0002547800000000, 0.0000741400000000, 0.0005792900000000 ] - [ 0.0003556000000000, 0.0000004500000000, 0.0005222500000000 ] - [ -0.0042866100000000, -0.0153919100000000, 0.0037001000000000 ] - [ -0.0052569200000000, 0.0190396500000000, 0.0029872200000000 ] - [ 0.0016062000000000, -0.0000657100000000, -0.0006615500000000 ] - [ 0.0007356700000000, 0.0002853500000000, -0.0005272100000000 ] - [ 0.0156908500000000, -0.0014532800000000, 0.0080466400000000 ] - [ 0.0005854700000000, 0.0003721700000000, -0.0002223800000000 ] - [ 0.0038597400000000, 0.0069712300000000, -0.0045886100000000 ] - [ 0.0029928100000000, -0.0074462600000000, -0.0083040300000000 ] - [ -0.0009781600000000, -0.0000928600000000, 0.0005396000000000 ] - [ -0.0012390000000000, -0.0002757100000000, 0.0011087700000000 ] - [ -0.4095307200000000, 0.0459784900000000, 0.0214124700000000 ] - [ -0.0052216100000000, -0.0003220900000000, 0.0019912000000000 ] - [ -0.0005567200000000, -0.0014723700000000, 0.0083877000000000 ] - [ 0.0005737900000000, 0.0001536100000000, 0.0003424400000000 ] - [ -0.0044286000000000, -0.0036864100000000, -0.0000036600000000 ] - [ -0.0024158000000000, 0.0035406000000000, 0.0014159700000000 ] - [ -0.0012983000000000, -0.0001077900000000, 0.0005145500000000 ] - [ -0.0006167900000000, 0.0003492600000000, 0.0003437400000000 ] - [ 0.0059907700000000, -0.0032772800000000, 0.0012932600000000 ] - [ 0.0069940600000000, 0.0030864400000000, -0.0003184100000000 ] - [ 0.0039717100000000, 0.0013164300000000, -0.0038194900000000 ] - [ 0.0009455500000000, -0.0002468600000000, -0.0014911700000000 ] - [ 0.0004495600000000, -0.0019331200000000, -0.0024275000000000 ] - [ 0.0004357700000000, 0.0021505200000000, -0.0064885800000000 ] - [ 0.0007784300000000, -0.0005167800000000, 0.0009826200000000 ] - [ 0.0011819700000000, -0.0004513700000000, 0.0011195200000000 ] - [ 0.0011477800000000, -0.0038403700000000, -0.0014759400000000 ] - [ 0.1044834000000000, -0.1002635200000000, -0.0139039400000000 ] - [ 0.0027202000000000, -0.0004553000000000, -0.0014823000000000 ] - [ 0.0004267700000000, 0.0001338700000000, -0.0007055000000000 ] - [ -0.0016018300000000, 0.0007135900000000, -0.0002462100000000 ] - [ -0.0078695400000000, -0.0050976400000000, -0.0003819700000000 ] - [ 0.0011557300000000, 0.0024199100000000, 0.0004837700000000 ] - [ 0.0022340100000000, -0.0070590100000000, 0.0054852700000000 ] - [ -0.0003311800000000, 0.0013793500000000, 0.0015044400000000 ] - [ -0.0010245400000000, -0.0014667500000000, 0.0013392700000000 ] - [ 0.0016607800000000, 0.0007552900000000, -0.0009614600000000 ] - [ 0.0012975000000000, -0.0006169600000000, -0.0010834500000000 ] - [ -0.0002480800000000, 0.0008922600000000, 0.0006159900000000 ] - [ -0.0006576800000000, -0.0000139500000000, 0.0022175200000000 ] - [ -0.0006008000000000, 0.0003496600000000, 0.0027930300000000 ] - [ -0.0000191500000000, 0.0002789400000000, 0.0012568800000000 ] - [ -0.0022035300000000, -0.0002713800000000, 0.0075908100000000 ] - [ -0.0001470700000000, -0.0004415500000000, 0.0011164200000000 ] - [ 0.0013298800000000, 0.0006813200000000, 0.0012406800000000 ] - [ 0.0024745700000000, -0.0011457800000000, 0.0015969500000000 ] - [ -0.0012273300000000, -0.0023967300000000, -0.0047773900000000 ] - [ 0.0004790200000000, 0.0008761800000000, -0.0000445000000000 ] - [ -0.0005599800000000, 0.0049679800000000, -0.0053023400000000 ] - [ 0.0003556600000000, -0.0016567700000000, -0.0005360100000000 ] - [ 0.1593724500000000, 0.0107834400000000, 0.0725916400000000 ] - [ 0.0019471600000000, -0.0002695800000000, -0.0000049300000000 ] - [ -0.0006421400000000, -0.0004170600000000, -0.0005051300000000 ] - [ -0.0002109100000000, -0.0003899200000000, -0.0002013700000000 ] - [ 0.0464500300000000, -0.0125424500000000, -0.0437313000000000 ] - [ 0.0018645100000000, 0.0002112000000000, -0.0005823200000000 ] - [ -0.0019597100000000, -0.0000119600000000, -0.0005566500000000 ] - [ -0.0040024600000000, -0.0011977600000000, -0.0002736200000000 ] - [ -0.0006381800000000, 0.0005320100000000, -0.0004940600000000 ] - [ -0.0008435700000000, 0.0007110300000000, -0.0007004700000000 ] - [ 0.0044435000000000, -0.0010462400000000, 0.0036487300000000 ] - [ 0.0056293300000000, -0.0016237600000000, 0.0009805300000000 ] - [ -0.0019160500000000, 0.0002115500000000, -0.0021173000000000 ] - [ -0.0005771900000000, -0.0005806700000000, -0.0002723800000000 ] - [ -0.0008295200000000, 0.0002392700000000, -0.0002000800000000 ] - [ -0.0007324900000000, 0.0000452500000000, -0.0000852100000000 ] - [ -0.0003430500000000, -0.0003351100000000, -0.0007646500000000 ] - [ 0.0000161200000000, 0.0006610800000000, -0.0031797400000000 ] - [ -0.0010466500000000, 0.0004743800000000, -0.0009219900000000 ] - [ -0.0008300000000000, 0.0001561400000000, -0.0011014800000000 ] - [ 0.0776786800000000, 0.0597782300000000, -0.0364622600000000 ] - [ 0.0016087800000000, 0.0052809400000000, 0.0009512900000000 ] - [ -0.0036106800000000, 0.0003588000000000, 0.0001312500000000 ] - [ -0.0006457100000000, 0.0003750400000000, 0.0002376900000000 ] - [ 0.0001421800000000, -0.0003367700000000, -0.0001166700000000 ] - [ -0.0002185900000000, -0.0002826800000000, 0.0010202700000000 ] - [ -0.0091997100000000, 0.0043046500000000, 0.0005450100000000 ] - [ -0.0016708300000000, -0.0007148400000000, -0.0000688400000000 ] - [ -0.0013403300000000, -0.0010836500000000, 0.0024206100000000 ] - [ -0.0003514500000000, 0.0001047700000000, 0.0010047300000000 ] - [ 0.0007947700000000, 0.0002163700000000, 0.0000800900000000 ] - [ 0.0005437800000000, -0.0000489000000000, 0.0001117000000000 ] - [ 0.0006212900000000, -0.0005917300000000, -0.0000250400000000 ] - [ 0.0001253700000000, -0.0003635400000000, -0.0000620000000000 ] - [ -0.0050980700000000, -0.0022907000000000, -0.0082451800000000 ] - [ -0.0010134900000000, 0.0006138200000000, 0.0001150700000000 ] - [ -0.0003429400000000, 0.0005807100000000, 0.0003185900000000 ] - [ -0.0001420900000000, 0.0002033100000000, -0.0001653900000000 ] - [ -0.0052027300000000, -0.0017441400000000, -0.0004973900000000 ] - [ -0.0058752700000000, 0.0006232600000000, -0.0001901600000000 ]- atom: 33 displacement: [ -0.0099999999631191, 0.0000000000000000, 0.0000008588465536 ] forces: - [ -0.0018660300000000, -0.0006274100000000, -0.0011227200000000 ] - [ -0.0020709800000000, 0.0003168700000000, -0.0003444100000000 ] - [ -0.0005447100000000, 0.0004953700000000, -0.0016484300000000 ] - [ -0.0000389000000000, -0.0002959100000000, -0.0003521200000000 ] - [ -0.0192660600000000, -0.0015252400000000, 0.0139149900000000 ] - [ -0.0002593000000000, -0.0003335100000000, -0.0002388100000000 ] - [ 0.0028899700000000, -0.0096448800000000, -0.0113379500000000 ] - [ 0.0013316500000000, 0.0081233900000000, -0.0076642400000000 ] - [ 0.0018556900000000, -0.0002960700000000, 0.0037024600000000 ] - [ 0.0011616400000000, 0.0001353500000000, -0.0006867100000000 ] - [ -0.0024201800000000, 0.0002738600000000, -0.0001047900000000 ] - [ -0.0029264600000000, -0.0004992800000000, -0.0007349300000000 ] - [ 0.0003629400000000, -0.0001763000000000, 0.0010925300000000 ] - [ 0.0009998900000000, 0.0004688600000000, 0.0010727900000000 ] - [ 0.0166244700000000, 0.0020013300000000, -0.0019664500000000 ] - [ 0.0014537300000000, -0.0006710900000000, 0.0008110000000000 ] - [ -0.0000001300000000, 0.0002462600000000, 0.0006331300000000 ] - [ 0.0000783700000000, -0.0003549900000000, 0.0006969400000000 ] - [ -0.0292232900000000, -0.0018757300000000, 0.0067585600000000 ] - [ -0.0016972100000000, 0.0000259300000000, 0.0005145100000000 ] - [ 0.0000784100000000, -0.0001068800000000, 0.0000608600000000 ] - [ -0.0000202900000000, -0.0000359900000000, 0.0001142100000000 ] - [ 0.0041925500000000, 0.0155494000000000, -0.0030780500000000 ] - [ 0.0051627400000000, -0.0189914700000000, -0.0023816100000000 ] - [ -0.0011438800000000, 0.0002659700000000, 0.0002372300000000 ] - [ -0.0002859000000000, -0.0000885200000000, 0.0000938400000000 ] - [ -0.0152466000000000, 0.0012246300000000, -0.0085429000000000 ] - [ -0.0001304700000000, -0.0005772100000000, -0.0002193500000000 ] - [ -0.0043410000000000, -0.0067511900000000, 0.0050105700000000 ] - [ -0.0034739200000000, 0.0076263700000000, 0.0087409100000000 ] - [ 0.0005218500000000, -0.0001010600000000, -0.0001015400000000 ] - [ 0.0007888900000000, 0.0000721100000000, -0.0006700500000000 ] - [ 0.4155014100000000, -0.0430660400000000, -0.0111440400000000 ] - [ 0.0050445400000000, 0.0000382200000000, -0.0008815900000000 ] - [ 0.0001006600000000, 0.0021446600000000, -0.0099420000000000 ] - [ -0.0009921500000000, 0.0005962400000000, -0.0020381200000000 ] - [ 0.0046350900000000, 0.0039704600000000, -0.0011148400000000 ] - [ 0.0026111600000000, -0.0032408200000000, -0.0025306600000000 ] - [ 0.0011007300000000, 0.0003891200000000, 0.0006187900000000 ] - [ 0.0004227700000000, -0.0000662500000000, 0.0007920600000000 ] - [ -0.0055701300000000, 0.0040666300000000, 0.0003874900000000 ] - [ -0.0065799100000000, -0.0023592700000000, 0.0019940800000000 ] - [ -0.0043901200000000, -0.0020406300000000, 0.0021173400000000 ] - [ -0.0013644200000000, -0.0004995600000000, -0.0002001200000000 ] - [ -0.0002247500000000, 0.0016458900000000, 0.0012958100000000 ] - [ -0.0002386500000000, -0.0024351600000000, 0.0054073700000000 ] - [ -0.0003635100000000, -0.0002270600000000, 0.0007176300000000 ] - [ -0.0007662200000000, -0.0002950000000000, 0.0005803700000000 ] - [ -0.0008405300000000, 0.0038520100000000, 0.0015095400000000 ] - [ -0.1027468200000000, 0.0961352300000000, 0.0132873300000000 ] - [ -0.0021924700000000, 0.0001984800000000, 0.0018390400000000 ] - [ 0.0000722500000000, -0.0003883800000000, 0.0010918100000000 ] - [ 0.0010908000000000, -0.0009797200000000, -0.0001278500000000 ] - [ 0.0073660700000000, 0.0048477500000000, 0.0000223900000000 ] - [ 0.0000365600000000, -0.0023502100000000, -0.0015883300000000 ] - [ -0.0010394100000000, 0.0071849100000000, -0.0066619700000000 ] - [ 0.0000102600000000, -0.0013985000000000, -0.0015346600000000 ] - [ 0.0007219900000000, 0.0014713200000000, -0.0013682200000000 ] - [ -0.0004507200000000, -0.0008178100000000, -0.0001501700000000 ] - [ -0.0000857200000000, 0.0005488400000000, -0.0000333400000000 ] - [ 0.0006745900000000, -0.0000083100000000, -0.0003199600000000 ] - [ 0.0010835500000000, 0.0008983000000000, -0.0019326300000000 ] - [ 0.0010901500000000, 0.0002325800000000, -0.0011956100000000 ] - [ 0.0005077800000000, 0.0003080500000000, 0.0003397500000000 ] - [ 0.0027125500000000, 0.0005263200000000, -0.0071780600000000 ] - [ 0.0006510200000000, 0.0006985900000000, -0.0007332500000000 ] - [ -0.0004128000000000, -0.0014006200000000, -0.0004718700000000 ] - [ -0.0015609600000000, 0.0004126400000000, -0.0008478200000000 ] - [ 0.0009077000000000, 0.0023900700000000, 0.0047331800000000 ] - [ -0.0007908500000000, -0.0008670000000000, 0.0000234700000000 ] - [ 0.0009792800000000, -0.0058430500000000, 0.0055961900000000 ] - [ 0.0000708300000000, 0.0007691900000000, 0.0008351800000000 ] - [ -0.1688841100000000, -0.0124436700000000, -0.0796876300000000 ] - [ -0.0028781500000000, -0.0004646400000000, -0.0007488600000000 ] - [ 0.0008711900000000, -0.0002515700000000, 0.0002132500000000 ] - [ 0.0004429100000000, -0.0002792100000000, -0.0000849100000000 ] - [ -0.0470927600000000, 0.0124250500000000, 0.0441536500000000 ] - [ -0.0030869100000000, -0.0001444800000000, 0.0017003500000000 ] - [ 0.0014658400000000, -0.0005896800000000, -0.0010414600000000 ] - [ 0.0035158000000000, 0.0006335000000000, -0.0013171300000000 ] - [ 0.0000198700000000, 0.0004827800000000, 0.0001320800000000 ] - [ 0.0002256700000000, 0.0003086300000000, 0.0003370800000000 ] - [ -0.0035382100000000, 0.0017970300000000, -0.0029142300000000 ] - [ -0.0047123500000000, 0.0023472000000000, -0.0002368200000000 ] - [ 0.0025215100000000, -0.0012127000000000, 0.0024358100000000 ] - [ 0.0011981300000000, -0.0004375700000000, 0.0006289000000000 ] - [ 0.0003294900000000, 0.0000116800000000, -0.0001917500000000 ] - [ 0.0002350800000000, 0.0002095900000000, -0.0003051600000000 ] - [ 0.0001175300000000, 0.0010016000000000, 0.0010511200000000 ] - [ -0.0002245100000000, 0.0000321000000000, 0.0034502400000000 ] - [ 0.0005578800000000, 0.0001120100000000, -0.0006806800000000 ] - [ 0.0003403900000000, 0.0004293900000000, -0.0004999400000000 ] - [ -0.0776256000000000, -0.0568582100000000, 0.0348122400000000 ] - [ -0.0020450500000000, -0.0044326400000000, -0.0012530800000000 ] - [ 0.0042240900000000, 0.0006557100000000, 0.0002417300000000 ] - [ 0.0012657700000000, 0.0006417400000000, 0.0001226700000000 ] - [ -0.0013509700000000, 0.0002711500000000, 0.0012042800000000 ] - [ -0.0009917400000000, 0.0002217300000000, 0.0000754900000000 ] - [ 0.0094475800000000, -0.0036649800000000, -0.0008099100000000 ] - [ 0.0018997200000000, 0.0013896400000000, -0.0002085200000000 ] - [ 0.0011234600000000, 0.0004080800000000, -0.0021437500000000 ] - [ 0.0001231000000000, -0.0007724800000000, -0.0007223500000000 ] - [ -0.0004853700000000, -0.0002109300000000, -0.0000653400000000 ] - [ -0.0002372900000000, 0.0000543300000000, -0.0000946200000000 ] - [ -0.0010459900000000, -0.0002970500000000, -0.0002751000000000 ] - [ -0.0005568500000000, -0.0005193500000000, -0.0002367200000000 ] - [ 0.0055079500000000, 0.0016724900000000, 0.0096915200000000 ] - [ 0.0015092900000000, -0.0012020300000000, 0.0014872600000000 ] - [ -0.0005859900000000, 0.0001522300000000, -0.0010762900000000 ] - [ -0.0007797600000000, 0.0005296700000000, -0.0005938900000000 ] - [ 0.0045891600000000, 0.0007030100000000, 0.0001562800000000 ] - [ 0.0052611400000000, -0.0016242500000000, -0.0001590100000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002013500000000, 0.0004152600000000, 0.0002834500000000 ] - [ -0.0001363000000000, -0.0000823100000000, -0.0016492100000000 ] - [ -0.0001130400000000, -0.0010407800000000, 0.0000886400000000 ] - [ 0.0002480700000000, 0.0012714900000000, 0.0001154300000000 ] - [ 0.0004297200000000, -0.0075946300000000, -0.0024033500000000 ] - [ -0.0000737600000000, 0.0038185800000000, -0.0000890000000000 ] - [ 0.0110173600000000, 0.0197324200000000, 0.0200961200000000 ] - [ -0.0051515500000000, 0.0158533900000000, -0.0131929900000000 ] - [ -0.0001607800000000, -0.0034312100000000, 0.0030347000000000 ] - [ 0.0001023000000000, 0.0024787000000000, -0.0009087200000000 ] - [ 0.0005100700000000, 0.0002669300000000, -0.0013357000000000 ] - [ -0.0003326300000000, -0.0001501300000000, 0.0014318000000000 ] - [ 0.0001215200000000, 0.0011350600000000, -0.0012544900000000 ] - [ -0.0006139300000000, -0.0006789000000000, 0.0013601000000000 ] - [ -0.0022995300000000, -0.0137044200000000, -0.0059042600000000 ] - [ 0.0001176000000000, 0.0037504500000000, 0.0006871300000000 ] - [ -0.0002557500000000, 0.0004033300000000, 0.0007335500000000 ] - [ -0.0001439400000000, -0.0005412300000000, -0.0002329300000000 ] - [ 0.0012652500000000, -0.0167733300000000, 0.0020982300000000 ] - [ 0.0002036300000000, 0.0045458600000000, 0.0008304400000000 ] - [ 0.0004365100000000, -0.0008595900000000, 0.0005092100000000 ] - [ 0.0001509800000000, 0.0007194000000000, 0.0000879500000000 ] - [ -0.0164848500000000, 0.0150885100000000, -0.0062096700000000 ] - [ 0.0170709300000000, 0.0157804300000000, 0.0100673200000000 ] - [ -0.0000432400000000, -0.0012257600000000, -0.0000714200000000 ] - [ 0.0003025700000000, 0.0013484900000000, -0.0006396900000000 ] - [ 0.0015455300000000, -0.0013178800000000, 0.0009710100000000 ] - [ 0.0001395200000000, 0.0021885300000000, -0.0000010200000000 ] - [ 0.0056962000000000, 0.0127629600000000, -0.0071435100000000 ] - [ -0.0072929400000000, 0.0099592700000000, 0.0136474300000000 ] - [ 0.0001989700000000, 0.0004435200000000, 0.0010802100000000 ] - [ -0.0004088900000000, -0.0003654000000000, -0.0011317500000000 ] - [ 0.0381201800000000, -0.4480882500000000, -0.0393472200000000 ] - [ -0.0002864300000000, 0.0104976600000000, 0.0003418900000000 ] - [ -0.0001993600000000, -0.0059409100000000, 0.0000969200000000 ] - [ 0.0000769000000000, 0.0042783500000000, -0.0024704500000000 ] - [ -0.0037312500000000, 0.0000416700000000, -0.0029097700000000 ] - [ 0.0034835600000000, -0.0005564000000000, 0.0021630200000000 ] - [ 0.0001467500000000, -0.0006622000000000, 0.0009567900000000 ] - [ -0.0003075400000000, 0.0012220500000000, 0.0003025800000000 ] - [ 0.0029116000000000, -0.0008536100000000, 0.0027898800000000 ] - [ -0.0024238100000000, 0.0009232300000000, -0.0005580400000000 ] - [ 0.0004970300000000, -0.0054417700000000, -0.0008496600000000 ] - [ 0.0001441200000000, 0.0020189900000000, -0.0008090000000000 ] - [ -0.0021962200000000, 0.0008701900000000, 0.0039386900000000 ] - [ 0.0018870600000000, 0.0008857500000000, -0.0105386000000000 ] - [ 0.0002660400000000, 0.0002406600000000, 0.0007273800000000 ] - [ 0.0002329800000000, -0.0010122200000000, 0.0009010300000000 ] - [ 0.0004802100000000, -0.0102281300000000, -0.0003403200000000 ] - [ -0.0961957000000000, 0.1813637300000000, 0.0212146600000000 ] - [ -0.0012459200000000, 0.0011500000000000, -0.0010614700000000 ] - [ 0.0007549700000000, -0.0017324100000000, 0.0011417700000000 ] - [ 0.0003757700000000, -0.0016452700000000, -0.0000375500000000 ] - [ -0.0004986200000000, 0.0016593400000000, -0.0009923300000000 ] - [ 0.0033092300000000, -0.0034357500000000, -0.0041392100000000 ] - [ -0.0067220100000000, -0.0024565200000000, 0.0099873400000000 ] - [ 0.0016858600000000, 0.0006138300000000, -0.0010265700000000 ] - [ -0.0014759700000000, -0.0025802300000000, 0.0022249300000000 ] - [ 0.0012200100000000, 0.0002009300000000, 0.0003829900000000 ] - [ 0.0000973800000000, -0.0002514900000000, -0.0022348800000000 ] - [ 0.0010766800000000, -0.0011966000000000, -0.0011297900000000 ] - [ -0.0005425900000000, 0.0028653600000000, 0.0027717900000000 ] - [ 0.0005047600000000, 0.0014191200000000, 0.0001279000000000 ] - [ 0.0000147100000000, -0.0006216100000000, 0.0007457900000000 ] - [ 0.0018508400000000, 0.0079950200000000, -0.0043045200000000 ] - [ -0.0003181700000000, -0.0024390700000000, 0.0007592700000000 ] - [ 0.0008837200000000, -0.0009531700000000, -0.0013117900000000 ] - [ 0.0006697100000000, -0.0004708400000000, 0.0035811600000000 ] - [ -0.0007257800000000, 0.0013896100000000, -0.0007030100000000 ] - [ 0.0008999500000000, -0.0012720400000000, 0.0003944900000000 ] - [ 0.0013785200000000, 0.0016055200000000, -0.0001700500000000 ] - [ -0.0007836800000000, -0.0016561500000000, -0.0010947800000000 ] - [ 0.0115055600000000, 0.0423118100000000, 0.0078840700000000 ] - [ -0.0007838700000000, -0.0044449800000000, -0.0005875500000000 ] - [ 0.0001474700000000, 0.0003427500000000, -0.0001312800000000 ] - [ 0.0000686800000000, -0.0009907400000000, -0.0001446900000000 ] - [ -0.0123644400000000, 0.0537076100000000, 0.0582682800000000 ] - [ -0.0013928600000000, -0.0048150400000000, 0.0003569800000000 ] - [ -0.0005349600000000, -0.0010755000000000, -0.0016529000000000 ] - [ 0.0001067700000000, 0.0007541700000000, 0.0003103200000000 ] - [ -0.0004423900000000, 0.0001669500000000, -0.0003673400000000 ] - [ -0.0002440200000000, 0.0007768700000000, 0.0001889500000000 ] - [ 0.0033211000000000, -0.0034995000000000, 0.0054209400000000 ] - [ -0.0023608500000000, -0.0002471100000000, -0.0062742100000000 ] - [ 0.0000794400000000, 0.0011629700000000, -0.0003471200000000 ] - [ 0.0002236600000000, -0.0017525700000000, 0.0005319900000000 ] - [ -0.0000468500000000, 0.0001547000000000, -0.0003748700000000 ] - [ -0.0004187600000000, 0.0000805600000000, 0.0001243700000000 ] - [ -0.0017004500000000, -0.0031391300000000, -0.0014149500000000 ] - [ 0.0011096700000000, 0.0038634900000000, 0.0033334900000000 ] - [ -0.0004084300000000, 0.0003370800000000, -0.0004311000000000 ] - [ -0.0002977800000000, 0.0001987200000000, -0.0011969000000000 ] - [ 0.0607709300000000, 0.1357328500000000, -0.0589464900000000 ] - [ -0.0006339900000000, -0.0094426800000000, -0.0006189900000000 ] - [ 0.0000104900000000, 0.0022766800000000, -0.0001794500000000 ] - [ 0.0001974300000000, -0.0009318200000000, -0.0001207300000000 ] - [ -0.0008172100000000, 0.0010394900000000, 0.0013816000000000 ] - [ -0.0004909300000000, -0.0010763100000000, 0.0007935700000000 ] - [ -0.0011625600000000, 0.0030371900000000, 0.0003439600000000 ] - [ 0.0005925200000000, -0.0019888400000000, 0.0001175500000000 ] - [ -0.0026301800000000, 0.0012752400000000, 0.0036328500000000 ] - [ 0.0004966600000000, -0.0017503400000000, -0.0010900100000000 ] - [ 0.0001407000000000, 0.0002929600000000, -0.0001361800000000 ] - [ 0.0001500400000000, -0.0004551800000000, 0.0002406100000000 ] - [ -0.0006194900000000, 0.0007788000000000, -0.0003233600000000 ] - [ -0.0001433400000000, -0.0012708800000000, -0.0002093000000000 ] - [ -0.0031828000000000, 0.0054843500000000, -0.0014005000000000 ] - [ 0.0017043800000000, -0.0036977000000000, 0.0017377600000000 ] - [ 0.0001075800000000, 0.0009048400000000, -0.0010229000000000 ] - [ -0.0003696900000000, -0.0003536200000000, -0.0000999300000000 ] - [ -0.0061349700000000, -0.0022836800000000, -0.0004826500000000 ] - [ 0.0052879300000000, -0.0034078400000000, -0.0015901400000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001372500000000, -0.0003883400000000, -0.0009151300000000 ] - [ -0.0002094700000000, 0.0001244900000000, 0.0010220800000000 ] - [ 0.0004553100000000, 0.0011331200000000, -0.0001951200000000 ] - [ 0.0000899400000000, -0.0011772300000000, -0.0002275000000000 ] - [ -0.0000398900000000, 0.0075523100000000, 0.0022464200000000 ] - [ 0.0003989100000000, -0.0039183500000000, -0.0000302600000000 ] - [ -0.0111704700000000, -0.0196471400000000, -0.0197555400000000 ] - [ 0.0049025600000000, -0.0160082300000000, 0.0133468400000000 ] - [ 0.0003105900000000, 0.0035332100000000, -0.0036947900000000 ] - [ 0.0000440700000000, -0.0023865000000000, 0.0002697400000000 ] - [ -0.0008487200000000, -0.0003118400000000, 0.0007052800000000 ] - [ -0.0000062600000000, 0.0001209400000000, -0.0020592900000000 ] - [ -0.0004609700000000, -0.0010483800000000, 0.0013727200000000 ] - [ 0.0002732100000000, 0.0007793100000000, -0.0012466100000000 ] - [ 0.0024433800000000, 0.0135952100000000, 0.0054058100000000 ] - [ 0.0000242600000000, -0.0038499400000000, -0.0013502500000000 ] - [ 0.0001173200000000, -0.0005043000000000, -0.0000753500000000 ] - [ 0.0000068000000000, 0.0004522400000000, 0.0008936400000000 ] - [ -0.0010060800000000, 0.0167982500000000, -0.0014510400000000 ] - [ 0.0001417200000000, -0.0045033900000000, -0.0002057200000000 ] - [ -0.0001043600000000, 0.0008256700000000, 0.0001174600000000 ] - [ 0.0001846300000000, -0.0007555200000000, 0.0005470700000000 ] - [ 0.0161689300000000, -0.0148215300000000, 0.0067462600000000 ] - [ -0.0174070000000000, -0.0158880300000000, -0.0095684100000000 ] - [ 0.0004797600000000, 0.0014296400000000, -0.0003561900000000 ] - [ 0.0001310300000000, -0.0011580400000000, 0.0002172200000000 ] - [ -0.0011042500000000, 0.0011129900000000, -0.0013997200000000 ] - [ 0.0002917900000000, -0.0023983000000000, -0.0004371200000000 ] - [ -0.0060898600000000, -0.0125531000000000, 0.0075295400000000 ] - [ 0.0069256800000000, -0.0097754700000000, -0.0132333500000000 ] - [ -0.0006342100000000, -0.0006493200000000, -0.0006446500000000 ] - [ -0.0000189400000000, 0.0001742600000000, 0.0015652600000000 ] - [ -0.0509669000000000, 0.4515184400000000, 0.0456458700000000 ] - [ 0.0000856000000000, -0.0107777800000000, 0.0007756300000000 ] - [ -0.0002368400000000, 0.0066974500000000, -0.0018152100000000 ] - [ -0.0004885600000000, -0.0035280900000000, 0.0007795800000000 ] - [ 0.0039166100000000, 0.0002324500000000, 0.0017825200000000 ] - [ -0.0033091100000000, 0.0008619200000000, -0.0032953900000000 ] - [ -0.0003394900000000, 0.0009419900000000, 0.0001719500000000 ] - [ 0.0001177900000000, -0.0009366900000000, 0.0008305400000000 ] - [ -0.0025069800000000, 0.0015745200000000, -0.0011011100000000 ] - [ 0.0028086100000000, -0.0001677200000000, 0.0022307700000000 ] - [ -0.0009143100000000, 0.0047090000000000, -0.0008296000000000 ] - [ -0.0005576900000000, -0.0027607500000000, -0.0008829300000000 ] - [ 0.0023787200000000, -0.0011901500000000, -0.0050219000000000 ] - [ -0.0017005400000000, -0.0011751200000000, 0.0095500900000000 ] - [ 0.0001467900000000, -0.0009903300000000, 0.0009687400000000 ] - [ 0.0001765400000000, 0.0002717400000000, 0.0007966900000000 ] - [ -0.0001925300000000, 0.0101950700000000, 0.0003713100000000 ] - [ 0.1037944600000000, -0.1903212700000000, -0.0227846900000000 ] - [ 0.0017493700000000, -0.0014007600000000, 0.0014527400000000 ] - [ -0.0002610400000000, 0.0014699300000000, -0.0007631300000000 ] - [ -0.0008528100000000, 0.0013934800000000, -0.0003421900000000 ] - [ 0.0000135300000000, -0.0019385600000000, 0.0006164800000000 ] - [ -0.0020671300000000, 0.0034918000000000, 0.0029843400000000 ] - [ 0.0080557000000000, 0.0025815200000000, -0.0112638200000000 ] - [ -0.0019930800000000, -0.0006016700000000, 0.0010071300000000 ] - [ 0.0011919000000000, 0.0025958700000000, -0.0022775000000000 ] - [ -0.0000047600000000, -0.0002603900000000, -0.0015003100000000 ] - [ 0.0011194900000000, 0.0001824000000000, 0.0011194000000000 ] - [ -0.0006351600000000, 0.0020855700000000, 0.0014133400000000 ] - [ 0.0009893400000000, -0.0020058700000000, -0.0025013000000000 ] - [ -0.0000227600000000, -0.0008379400000000, 0.0014577000000000 ] - [ 0.0004659100000000, 0.0012095900000000, 0.0008484700000000 ] - [ -0.0013624200000000, -0.0077481700000000, 0.0046937200000000 ] - [ 0.0008101800000000, 0.0027031500000000, -0.0003734900000000 ] - [ 0.0000357000000000, 0.0002323000000000, 0.0020555000000000 ] - [ 0.0002367800000000, -0.0002651800000000, -0.0028529500000000 ] - [ 0.0004228900000000, -0.0013999400000000, 0.0006675700000000 ] - [ -0.0011998600000000, 0.0012830800000000, -0.0004155600000000 ] - [ -0.0009454800000000, -0.0024682200000000, 0.0004581800000000 ] - [ 0.0012256500000000, 0.0007704800000000, 0.0014013500000000 ] - [ -0.0114234100000000, -0.0427845600000000, -0.0080821400000000 ] - [ -0.0001312600000000, 0.0037092400000000, -0.0001595500000000 ] - [ 0.0000873500000000, -0.0010196800000000, -0.0001532000000000 ] - [ 0.0001666300000000, 0.0003198500000000, -0.0001398600000000 ] - [ 0.0111976900000000, -0.0542957300000000, -0.0571018500000000 ] - [ 0.0001703700000000, 0.0048871600000000, 0.0007571600000000 ] - [ 0.0000616500000000, 0.0004984900000000, 0.0000627900000000 ] - [ -0.0005729000000000, -0.0013531100000000, -0.0018962500000000 ] - [ -0.0001667700000000, 0.0008549500000000, 0.0000115700000000 ] - [ -0.0003642900000000, 0.0002372800000000, -0.0005437200000000 ] - [ -0.0024069700000000, 0.0042434100000000, -0.0046566400000000 ] - [ 0.0032906800000000, 0.0009693300000000, 0.0070562100000000 ] - [ 0.0005360400000000, -0.0021853600000000, 0.0007054100000000 ] - [ 0.0003869800000000, 0.0007352600000000, -0.0001801800000000 ] - [ -0.0004493900000000, 0.0001063700000000, -0.0000078800000000 ] - [ -0.0000735300000000, 0.0001741900000000, -0.0005117400000000 ] - [ 0.0014585900000000, 0.0038075500000000, 0.0016887600000000 ] - [ -0.0013429000000000, -0.0032088300000000, -0.0030490000000000 ] - [ -0.0000709600000000, 0.0002535200000000, -0.0011690500000000 ] - [ -0.0001807100000000, 0.0003866300000000, -0.0004038500000000 ] - [ -0.0570448100000000, -0.1293465300000000, 0.0545002000000000 ] - [ 0.0001800600000000, 0.0103312900000000, 0.0003320400000000 ] - [ 0.0006009600000000, -0.0012585300000000, 0.0005288800000000 ] - [ 0.0004142100000000, 0.0019471400000000, 0.0004758100000000 ] - [ -0.0003984800000000, -0.0011086400000000, -0.0002812500000000 ] - [ -0.0007239400000000, 0.0010141500000000, 0.0003198200000000 ] - [ 0.0013933200000000, -0.0023435200000000, -0.0006191300000000 ] - [ -0.0003420900000000, 0.0026539500000000, -0.0003905900000000 ] - [ 0.0024070000000000, -0.0019428300000000, -0.0033709500000000 ] - [ -0.0007325100000000, 0.0010719400000000, 0.0013717900000000 ] - [ 0.0001594900000000, -0.0002831300000000, 0.0001567700000000 ] - [ 0.0001484300000000, 0.0004576100000000, -0.0002216000000000 ] - [ 0.0001854000000000, -0.0016695800000000, 0.0000287700000000 ] - [ -0.0002950000000000, 0.0003903900000000, -0.0000895600000000 ] - [ 0.0036732700000000, -0.0060451300000000, 0.0030031900000000 ] - [ -0.0012299900000000, 0.0031098100000000, -0.0001419300000000 ] - [ -0.0010347600000000, -0.0001694200000000, 0.0002679300000000 ] - [ -0.0005497500000000, 0.0010875900000000, -0.0006604800000000 ] - [ 0.0055388500000000, 0.0012880700000000, 0.0001371500000000 ] - [ -0.0058588300000000, 0.0023635700000000, 0.0012283700000000 ]- atom: 33 displacement: [ -0.0004120271249244, 0.0000000000000000, 0.0099915080767783 ] forces: - [ -0.0004727300000000, 0.0017316500000000, -0.0001305500000000 ] - [ -0.0001329600000000, -0.0012421300000000, -0.0002632600000000 ] - [ 0.0006212800000000, -0.0001018500000000, 0.0036722800000000 ] - [ 0.0004990400000000, 0.0001701300000000, 0.0020124700000000 ] - [ -0.0145539200000000, -0.0031300300000000, -0.0102396900000000 ] - [ -0.0009884700000000, 0.0003866000000000, -0.0028132800000000 ] - [ 0.0108034900000000, 0.0196734700000000, -0.0062648800000000 ] - [ 0.0034562500000000, -0.0074227700000000, -0.0041520000000000 ] - [ -0.0012094700000000, -0.0029822100000000, 0.0245492200000000 ] - [ 0.0005848200000000, 0.0007863700000000, 0.0000702600000000 ] - [ -0.0001187700000000, -0.0010363300000000, 0.0007149700000000 ] - [ -0.0001031300000000, 0.0012568200000000, 0.0008263200000000 ] - [ -0.0002553500000000, -0.0006279000000000, 0.0030375500000000 ] - [ -0.0004624700000000, 0.0008219100000000, 0.0035528600000000 ] - [ 0.0006670200000000, -0.0016338500000000, 0.0408573700000000 ] - [ -0.0000933400000000, -0.0000049600000000, 0.0000557700000000 ] - [ -0.0005550000000000, 0.0004635700000000, 0.0041316600000000 ] - [ -0.0003842900000000, -0.0008908700000000, 0.0038799800000000 ] - [ -0.0088999500000000, 0.0012567000000000, -0.0071249800000000 ] - [ -0.0002564900000000, -0.0003999200000000, -0.0015342200000000 ] - [ 0.0006233200000000, -0.0004865900000000, 0.0043085400000000 ] - [ 0.0002137700000000, -0.0000034800000000, 0.0021104300000000 ] - [ 0.0056894000000000, -0.0092004800000000, -0.0084062200000000 ] - [ 0.0033784500000000, 0.0103890300000000, -0.0062327400000000 ] - [ -0.0007735500000000, -0.0001595000000000, 0.0028493100000000 ] - [ -0.0002208500000000, 0.0002685000000000, 0.0013079600000000 ] - [ 0.0077824400000000, -0.0003551900000000, 0.0040074800000000 ] - [ 0.0005057100000000, -0.0001943400000000, -0.0009978100000000 ] - [ -0.0038710900000000, -0.0074220800000000, 0.0043873100000000 ] - [ -0.0030841000000000, 0.0053515200000000, 0.0005249000000000 ] - [ 0.0008401500000000, 0.0016970200000000, 0.0031109800000000 ] - [ 0.0002183100000000, -0.0014663000000000, 0.0026202700000000 ] - [ 0.0361559600000000, -0.0487483000000000, -0.4983664800000000 ] - [ 0.0015476000000000, -0.0003550900000000, -0.0039716600000000 ] - [ 0.0072373500000000, -0.0007993600000000, 0.0018288500000000 ] - [ 0.0005450300000000, 0.0021627900000000, -0.0023967700000000 ] - [ 0.0008431900000000, -0.0020414200000000, 0.0038760200000000 ] - [ 0.0021631300000000, 0.0027231100000000, 0.0036623800000000 ] - [ -0.0001023500000000, -0.0002334900000000, 0.0077319900000000 ] - [ -0.0003041900000000, 0.0003943500000000, 0.0035565400000000 ] - [ -0.0010573800000000, -0.0010773400000000, -0.0045166400000000 ] - [ 0.0002495700000000, 0.0015240200000000, -0.0053589600000000 ] - [ -0.0031770200000000, -0.0015006100000000, 0.0042637600000000 ] - [ -0.0007869200000000, 0.0000876600000000, 0.0007534200000000 ] - [ -0.0058366900000000, 0.0099447600000000, 0.0031333300000000 ] - [ -0.0017769100000000, -0.0047188900000000, 0.0033325600000000 ] - [ 0.0002590800000000, -0.0002854600000000, 0.0041516600000000 ] - [ 0.0004074500000000, -0.0006653500000000, 0.0037622200000000 ] - [ 0.0000336500000000, 0.0036855300000000, 0.0046707200000000 ] - [ -0.0169396800000000, 0.0238861700000000, 0.0443457400000000 ] - [ -0.0038238400000000, -0.0011959600000000, -0.0036335000000000 ] - [ -0.0000524400000000, -0.0000323400000000, 0.0000790300000000 ] - [ -0.0006842200000000, 0.0008995500000000, 0.0013427500000000 ] - [ -0.0042998400000000, -0.0038575900000000, 0.0018192100000000 ] - [ 0.0040618400000000, -0.0075526900000000, 0.0041391900000000 ] - [ 0.0050556600000000, 0.0080491700000000, 0.0035758300000000 ] - [ 0.0054766300000000, -0.0025570500000000, -0.0027412300000000 ] - [ 0.0008590600000000, 0.0017906000000000, -0.0007927900000000 ] - [ 0.0007213800000000, 0.0001589500000000, -0.0042278700000000 ] - [ 0.0003500800000000, -0.0007235500000000, -0.0038672500000000 ] - [ 0.0015269100000000, -0.0014828900000000, -0.0008287000000000 ] - [ 0.0022297400000000, 0.0022450900000000, -0.0016244500000000 ] - [ 0.0008630200000000, 0.0001564400000000, -0.0032261500000000 ] - [ 0.0004172300000000, 0.0002616000000000, -0.0009236400000000 ] - [ 0.0048047900000000, -0.0016262100000000, -0.0031642600000000 ] - [ 0.0007541900000000, 0.0009362700000000, -0.0002331900000000 ] - [ 0.0010455400000000, -0.0052517700000000, -0.0039057000000000 ] - [ 0.0003274200000000, 0.0020074900000000, -0.0012108500000000 ] - [ -0.0014759300000000, -0.0012600500000000, -0.0027808300000000 ] - [ -0.0007549400000000, 0.0011656900000000, -0.0009661600000000 ] - [ -0.0014949900000000, 0.0024265300000000, -0.0034347300000000 ] - [ -0.0006555300000000, -0.0015464000000000, -0.0004166800000000 ] - [ 0.0680428400000000, 0.0076282900000000, 0.0839903300000000 ] - [ -0.0004825100000000, -0.0000109700000000, 0.0015978400000000 ] - [ 0.0001325200000000, -0.0002507200000000, -0.0021323500000000 ] - [ 0.0000606300000000, -0.0005992200000000, -0.0015613400000000 ] - [ -0.0490610200000000, 0.0649168000000000, 0.2543077200000000 ] - [ -0.0019566500000000, 0.0004649500000000, 0.0033654600000000 ] - [ 0.0002529100000000, -0.0000834400000000, 0.0026764800000000 ] - [ 0.0007269600000000, 0.0010545900000000, 0.0029505600000000 ] - [ -0.0009055700000000, -0.0000231700000000, -0.0019657900000000 ] - [ -0.0008889600000000, 0.0008862200000000, -0.0019567100000000 ] - [ -0.0006635800000000, 0.0033676400000000, -0.0025571700000000 ] - [ -0.0002320000000000, -0.0035547000000000, -0.0025520300000000 ] - [ -0.0008629900000000, 0.0000600000000000, -0.0011535800000000 ] - [ 0.0003197000000000, -0.0008857200000000, 0.0000253200000000 ] - [ 0.0003628900000000, -0.0005390400000000, -0.0025179700000000 ] - [ 0.0000412000000000, 0.0002357300000000, -0.0018174800000000 ] - [ -0.0012436000000000, -0.0018241000000000, -0.0005156200000000 ] - [ -0.0036455800000000, 0.0037181300000000, -0.0011127400000000 ] - [ -0.0002905900000000, 0.0007084800000000, -0.0035002100000000 ] - [ -0.0003612200000000, 0.0003210400000000, -0.0030342300000000 ] - [ -0.0398302300000000, -0.0581147700000000, 0.0776939600000000 ] - [ -0.0002252100000000, -0.0002779200000000, 0.0013538600000000 ] - [ 0.0009400900000000, 0.0009655200000000, -0.0005301600000000 ] - [ 0.0003177400000000, 0.0004510600000000, 0.0000466200000000 ] - [ -0.0002806000000000, -0.0002659000000000, -0.0069060500000000 ] - [ -0.0003609500000000, 0.0002442200000000, -0.0017187700000000 ] - [ -0.0024374400000000, 0.0019229800000000, 0.0046603200000000 ] - [ 0.0004603700000000, -0.0003443400000000, 0.0021551100000000 ] - [ 0.0013078600000000, 0.0009120800000000, -0.0024442100000000 ] - [ 0.0003949600000000, -0.0011894600000000, -0.0006841900000000 ] - [ 0.0002462400000000, -0.0000830800000000, -0.0029212600000000 ] - [ 0.0001832300000000, 0.0000261400000000, -0.0016765800000000 ] - [ -0.0003082300000000, -0.0000918700000000, -0.0046211200000000 ] - [ -0.0002538400000000, -0.0012034000000000, -0.0021822000000000 ] - [ -0.0065278800000000, -0.0011619000000000, 0.0051882600000000 ] - [ 0.0001838000000000, -0.0003860600000000, 0.0027863200000000 ] - [ -0.0000237300000000, 0.0002707900000000, -0.0052582500000000 ] - [ -0.0007019900000000, 0.0003279200000000, -0.0021174100000000 ] - [ 0.0033318800000000, 0.0016473000000000, 0.0014322500000000 ] - [ 0.0000783800000000, -0.0017265600000000, 0.0013420200000000 ]- atom: 33 displacement: [ 0.0004120271249244, 0.0000000000000000, -0.0099915080767783 ] forces: - [ 0.0001436300000000, -0.0016910300000000, -0.0005037500000000 ] - [ -0.0001977400000000, 0.0012750300000000, -0.0003673500000000 ] - [ -0.0002839500000000, 0.0002009300000000, -0.0037884600000000 ] - [ -0.0001577900000000, -0.0000817200000000, -0.0021257500000000 ] - [ 0.0148481900000000, 0.0030534800000000, 0.0100938400000000 ] - [ 0.0013295300000000, -0.0004881500000000, 0.0026948200000000 ] - [ -0.0111481900000000, -0.0197139200000000, 0.0063424700000000 ] - [ -0.0037806700000000, 0.0072856300000000, 0.0042325700000000 ] - [ 0.0013155700000000, 0.0031230000000000, -0.0251314200000000 ] - [ -0.0004436500000000, -0.0006978600000000, -0.0007249400000000 ] - [ -0.0002133000000000, 0.0010013900000000, -0.0013344900000000 ] - [ -0.0002268000000000, -0.0012999200000000, -0.0014468100000000 ] - [ -0.0000893200000000, 0.0007269000000000, -0.0029255000000000 ] - [ 0.0001212500000000, -0.0007413100000000, -0.0034499200000000 ] - [ -0.0005712800000000, 0.0016151500000000, -0.0422300300000000 ] - [ 0.0002343700000000, -0.0000981500000000, -0.0006953100000000 ] - [ 0.0004167600000000, -0.0005583000000000, -0.0034904300000000 ] - [ 0.0002450000000000, 0.0007949000000000, -0.0032351200000000 ] - [ 0.0091777600000000, -0.0012167700000000, 0.0078079400000000 ] - [ 0.0005862600000000, 0.0004365000000000, 0.0021678400000000 ] - [ -0.0002888000000000, 0.0004530200000000, -0.0036858400000000 ] - [ 0.0001196800000000, -0.0000369600000000, -0.0014808200000000 ] - [ -0.0058027400000000, 0.0092489200000000, 0.0091082400000000 ] - [ -0.0034920200000000, -0.0102467700000000, 0.0069312000000000 ] - [ 0.0012112800000000, 0.0003623000000000, -0.0032859300000000 ] - [ 0.0006561400000000, -0.0000762700000000, -0.0017432100000000 ] - [ -0.0073718600000000, 0.0001464200000000, -0.0044101700000000 ] - [ -0.0000714400000000, -0.0000144000000000, 0.0005751300000000 ] - [ 0.0034501300000000, 0.0076597600000000, -0.0039305000000000 ] - [ 0.0026750900000000, -0.0051976400000000, -0.0000776900000000 ] - [ -0.0012821500000000, -0.0018903900000000, -0.0026890400000000 ] - [ -0.0006503200000000, 0.0012626400000000, -0.0021897800000000 ] - [ -0.0304380000000000, 0.0399767500000000, 0.4854730000000000 ] - [ -0.0017332800000000, 0.0000630600000000, 0.0050881000000000 ] - [ -0.0076331900000000, 0.0015529000000000, -0.0034955700000000 ] - [ -0.0009599000000000, -0.0014200400000000, 0.0006989700000000 ] - [ -0.0006517700000000, 0.0023326900000000, -0.0050004300000000 ] - [ -0.0019993900000000, -0.0024500100000000, -0.0047927000000000 ] - [ -0.0000858500000000, 0.0005302500000000, -0.0066437600000000 ] - [ 0.0001111400000000, -0.0001157500000000, -0.0024321600000000 ] - [ 0.0014722700000000, 0.0018162200000000, 0.0062002900000000 ] - [ 0.0001622600000000, -0.0007760400000000, 0.0070329800000000 ] - [ 0.0027967100000000, 0.0007908100000000, -0.0059680700000000 ] - [ 0.0003746700000000, -0.0008399600000000, -0.0024369200000000 ] - [ 0.0060629300000000, -0.0102721600000000, -0.0042704300000000 ] - [ 0.0019573600000000, 0.0044234000000000, -0.0044083900000000 ] - [ 0.0001566200000000, -0.0004596800000000, -0.0024653800000000 ] - [ 0.0000076900000000, -0.0000811200000000, -0.0020740300000000 ] - [ 0.0002662900000000, -0.0036690400000000, -0.0046403100000000 ] - [ 0.0165968300000000, -0.0229306200000000, -0.0437904500000000 ] - [ 0.0043339100000000, 0.0009265500000000, 0.0040081500000000 ] - [ 0.0005563400000000, -0.0002288800000000, 0.0003029300000000 ] - [ 0.0001779200000000, -0.0011595900000000, -0.0017244100000000 ] - [ 0.0037786200000000, 0.0035743900000000, -0.0021997800000000 ] - [ -0.0028452800000000, 0.0076183500000000, -0.0052516600000000 ] - [ -0.0037956300000000, -0.0079137400000000, -0.0046773100000000 ] - [ -0.0058056700000000, 0.0025513000000000, 0.0027329700000000 ] - [ -0.0011543200000000, -0.0017842300000000, 0.0007668900000000 ] - [ 0.0004950600000000, -0.0002249000000000, 0.0031184700000000 ] - [ 0.0008704200000000, 0.0006659400000000, 0.0027634700000000 ] - [ -0.0010892600000000, 0.0023671500000000, 0.0011284800000000 ] - [ -0.0017869500000000, -0.0013721200000000, 0.0019188200000000 ] - [ -0.0003893000000000, 0.0004228800000000, 0.0048253600000000 ] - [ 0.0000631600000000, 0.0003240300000000, 0.0025106500000000 ] - [ -0.0043557800000000, 0.0018924700000000, 0.0035563400000000 ] - [ -0.0002495500000000, -0.0006659400000000, 0.0006014800000000 ] - [ -0.0001279700000000, 0.0045486800000000, 0.0046917400000000 ] - [ 0.0005864500000000, -0.0027331900000000, 0.0019605000000000 ] - [ 0.0011902500000000, 0.0012679800000000, 0.0027596800000000 ] - [ 0.0004567200000000, -0.0011632700000000, 0.0009417300000000 ] - [ 0.0019463700000000, -0.0033113100000000, 0.0037211100000000 ] - [ 0.0011055300000000, 0.0006770100000000, 0.0007045400000000 ] - [ -0.0716852600000000, -0.0085736500000000, -0.0856004700000000 ] - [ -0.0004340600000000, -0.0007143000000000, -0.0023556800000000 ] - [ 0.0000995300000000, -0.0004240500000000, 0.0018490900000000 ] - [ 0.0001720300000000, -0.0000732500000000, 0.0012785100000000 ] - [ 0.0441169600000000, -0.0595593200000000, -0.2377979800000000 ] - [ 0.0007353500000000, -0.0003953400000000, -0.0022467200000000 ] - [ -0.0007350900000000, -0.0004981600000000, -0.0042575100000000 ] - [ -0.0012060500000000, -0.0016401700000000, -0.0045285300000000 ] - [ 0.0003054200000000, 0.0010374500000000, 0.0016156600000000 ] - [ 0.0002881600000000, 0.0001309000000000, 0.0016039900000000 ] - [ 0.0015753400000000, -0.0026474200000000, 0.0032988600000000 ] - [ 0.0011611400000000, 0.0043174200000000, 0.0033124800000000 ] - [ 0.0014555900000000, -0.0010793100000000, 0.0015041300000000 ] - [ 0.0002815200000000, -0.0001270800000000, 0.0003305500000000 ] - [ -0.0008688400000000, 0.0008027200000000, 0.0021442900000000 ] - [ -0.0005451100000000, 0.0000306400000000, 0.0014409900000000 ] - [ 0.0010132700000000, 0.0025001100000000, 0.0008030800000000 ] - [ 0.0033951900000000, -0.0030375400000000, 0.0013902600000000 ] - [ -0.0001911800000000, -0.0001265200000000, 0.0019132300000000 ] - [ -0.0001196600000000, 0.0002654800000000, 0.0014438700000000 ] - [ 0.0406993000000000, 0.0612286200000000, -0.0786061600000000 ] - [ -0.0002147000000000, 0.0011463400000000, -0.0016632100000000 ] - [ -0.0003571400000000, 0.0000417200000000, 0.0008709600000000 ] - [ 0.0002803900000000, 0.0005661200000000, 0.0002996000000000 ] - [ -0.0009375200000000, 0.0002050000000000, 0.0080691500000000 ] - [ -0.0008538800000000, -0.0003052100000000, 0.0028272700000000 ] - [ 0.0026556200000000, -0.0012433000000000, -0.0049361200000000 ] - [ -0.0002257900000000, 0.0010173800000000, -0.0024370500000000 ] - [ -0.0015500500000000, -0.0016043800000000, 0.0027287800000000 ] - [ -0.0006324300000000, 0.0005243500000000, 0.0009659700000000 ] - [ 0.0000540800000000, 0.0000820800000000, 0.0029491300000000 ] - [ 0.0001176300000000, -0.0000174200000000, 0.0016993400000000 ] - [ -0.0001296300000000, -0.0007919300000000, 0.0043408600000000 ] - [ -0.0001878800000000, 0.0003301000000000, 0.0018920600000000 ] - [ 0.0069720800000000, 0.0005698400000000, -0.0035871500000000 ] - [ 0.0002992200000000, -0.0001983200000000, -0.0011921900000000 ] - [ -0.0008896700000000, 0.0004552300000000, 0.0045181700000000 ] - [ -0.0002090500000000, 0.0004051800000000, 0.0013669600000000 ] - [ -0.0039154100000000, -0.0026527400000000, -0.0017888400000000 ] - [ -0.0006724500000000, 0.0007050900000000, -0.0017063100000000 ]- atom: 35 displacement: [ 0.0099999999631191, 0.0000000000000000, -0.0000008588465536 ] forces: - [ -0.0019891500000000, 0.0169322300000000, 0.0003047500000000 ] - [ -0.0016263100000000, -0.0224951600000000, 0.0009278400000000 ] - [ 0.0017699800000000, 0.0006896200000000, 0.0016037300000000 ] - [ 0.0007729300000000, -0.0002998100000000, 0.0003395200000000 ] - [ 0.0101647600000000, 0.0001251000000000, -0.0061138100000000 ] - [ 0.0011248800000000, -0.0002919200000000, -0.0000468600000000 ] - [ 0.0012861700000000, -0.0092764700000000, 0.0097121200000000 ] - [ 0.0033278900000000, 0.0075210100000000, 0.0057288500000000 ] - [ 0.0306790900000000, 0.0010565500000000, -0.0071531500000000 ] - [ 0.0016649500000000, -0.0000723400000000, -0.0005034800000000 ] - [ -0.0003529800000000, 0.0001275400000000, -0.0002743800000000 ] - [ -0.0004227400000000, -0.0001393000000000, -0.0002932700000000 ] - [ -0.0003752400000000, -0.0005471800000000, -0.0009094500000000 ] - [ -0.0008781600000000, 0.0006449000000000, -0.0009265700000000 ] - [ 0.0002576900000000, -0.0001535200000000, -0.0000638900000000 ] - [ 0.0002725900000000, -0.0000796400000000, -0.0000876200000000 ] - [ 0.0029923400000000, 0.0002495100000000, 0.0001642700000000 ] - [ 0.0030569000000000, -0.0001848800000000, 0.0006201900000000 ] - [ -0.0016975000000000, -0.0000454600000000, -0.0022804600000000 ] - [ -0.0008847100000000, -0.0000358900000000, 0.0008036900000000 ] - [ -0.0149365200000000, 0.0031261200000000, 0.0029393300000000 ] - [ -0.0010787600000000, -0.0006908300000000, -0.0004445300000000 ] - [ 0.0009313700000000, -0.0003267200000000, 0.0008272300000000 ] - [ 0.0014734100000000, 0.0002896100000000, 0.0005597400000000 ] - [ 0.0189528600000000, 0.0017765500000000, 0.0083928100000000 ] - [ 0.0006777000000000, -0.0003742500000000, -0.0002712300000000 ] - [ 0.0010848900000000, 0.0000948800000000, -0.0004814100000000 ] - [ 0.0006292300000000, -0.0002689800000000, -0.0004959300000000 ] - [ -0.0006964400000000, 0.0000495500000000, 0.0004549300000000 ] - [ -0.0011108400000000, 0.0004404200000000, 0.0009603600000000 ] - [ 0.0027703900000000, -0.0093269300000000, -0.0050000000000000 ] - [ 0.0014681300000000, 0.0061827800000000, -0.0066319900000000 ] - [ -0.0003989000000000, -0.0001345100000000, 0.0079398700000000 ] - [ 0.0006909000000000, 0.0001476200000000, 0.0013558400000000 ] - [ -0.4239544800000000, -0.0039902200000000, -0.0206882600000000 ] - [ -0.0042886000000000, 0.0003138500000000, -0.0010500100000000 ] - [ 0.0006660400000000, 0.0001968600000000, -0.0004997800000000 ] - [ 0.0010682300000000, 0.0001641100000000, -0.0003335600000000 ] - [ 0.0040928900000000, -0.0005594800000000, -0.0022424800000000 ] - [ 0.0010621400000000, -0.0002157600000000, 0.0000374000000000 ] - [ -0.0005993500000000, 0.0008626800000000, -0.0002065300000000 ] - [ -0.0005956800000000, -0.0022038400000000, -0.0048306100000000 ] - [ -0.0011857300000000, -0.0001944600000000, -0.0007294500000000 ] - [ -0.0007973800000000, -0.0006331900000000, -0.0009115800000000 ] - [ 0.0068815500000000, 0.0025016600000000, -0.0002435100000000 ] - [ 0.0058767100000000, -0.0028553100000000, -0.0015931200000000 ] - [ -0.0047227200000000, 0.0030763700000000, 0.0027600000000000 ] - [ -0.0017448100000000, -0.0049328100000000, 0.0032813600000000 ] - [ -0.0000033000000000, 0.0005019100000000, -0.0007897300000000 ] - [ 0.0001996700000000, 0.0000125300000000, -0.0027640700000000 ] - [ 0.0966407600000000, -0.0588214500000000, -0.0564175800000000 ] - [ 0.0007320900000000, -0.0026933700000000, 0.0013808600000000 ] - [ -0.0006400900000000, -0.0003376800000000, 0.0002177600000000 ] - [ -0.0012324200000000, -0.0002196300000000, 0.0016559800000000 ] - [ -0.0012980100000000, 0.0001491000000000, -0.0003128600000000 ] - [ -0.0023862500000000, 0.0002803800000000, 0.0000377400000000 ] - [ -0.0091199600000000, -0.0040984500000000, 0.0011926800000000 ] - [ -0.0019500400000000, 0.0008174000000000, 0.0000659000000000 ] - [ -0.0002986100000000, -0.0001003000000000, -0.0005450200000000 ] - [ -0.0001327300000000, -0.0000398200000000, -0.0007653200000000 ] - [ -0.0020495900000000, -0.0001280800000000, 0.0002011700000000 ] - [ -0.0081195200000000, 0.0038939600000000, 0.0008354000000000 ] - [ 0.0009588100000000, 0.0004733200000000, 0.0003627200000000 ] - [ 0.0006748000000000, 0.0005099000000000, 0.0010299800000000 ] - [ 0.0008864900000000, 0.0001799200000000, -0.0000956100000000 ] - [ 0.0005488400000000, 0.0001849400000000, 0.0001006600000000 ] - [ -0.0058786200000000, 0.0018808300000000, -0.0002818800000000 ] - [ -0.0040508800000000, -0.0011440900000000, 0.0002445200000000 ] - [ -0.0008218800000000, 0.0000355100000000, -0.0003106800000000 ] - [ -0.0004579600000000, 0.0000884700000000, -0.0000503800000000 ] - [ -0.0002020000000000, -0.0004982500000000, -0.0000037400000000 ] - [ -0.0002008300000000, -0.0003597800000000, 0.0001338200000000 ] - [ -0.0023045700000000, -0.0007566500000000, -0.0022405300000000 ] - [ -0.0012331100000000, -0.0003572000000000, -0.0007081800000000 ] - [ -0.0014860400000000, 0.0024173900000000, -0.0064642600000000 ] - [ 0.0010552400000000, -0.0011863600000000, -0.0004455000000000 ] - [ -0.0059207300000000, 0.0012384200000000, -0.0064166000000000 ] - [ -0.0017055300000000, -0.0007561700000000, 0.0001514900000000 ] - [ -0.0000256600000000, -0.0013096600000000, 0.0007028600000000 ] - [ -0.0010145800000000, 0.0057348700000000, 0.0060853900000000 ] - [ 0.0045967700000000, 0.0020391900000000, 0.0023068700000000 ] - [ 0.0048194900000000, 0.0032318900000000, 0.0001635000000000 ] - [ 0.0001478800000000, 0.0003720900000000, 0.0001979600000000 ] - [ -0.0000060800000000, 0.0001865600000000, -0.0000052400000000 ] - [ 0.1969909900000000, -0.0080615400000000, 0.0852681600000000 ] - [ 0.0025520600000000, -0.0006218500000000, 0.0006303100000000 ] - [ -0.0027264200000000, -0.0056389700000000, -0.0053506000000000 ] - [ -0.0008497600000000, 0.0016554200000000, -0.0008605800000000 ] - [ 0.0020769700000000, 0.0040787000000000, -0.0011305200000000 ] - [ 0.0690636000000000, 0.0642852900000000, -0.0035461500000000 ] - [ 0.0007043400000000, -0.0002952800000000, -0.0017431700000000 ] - [ 0.0001741900000000, 0.0012361800000000, -0.0016869100000000 ] - [ 0.0013712200000000, 0.0009619600000000, -0.0011441900000000 ] - [ -0.0002718000000000, 0.0000435400000000, -0.0010468800000000 ] - [ 0.0006998800000000, 0.0004014100000000, 0.0004937000000000 ] - [ 0.0006628600000000, 0.0006825400000000, 0.0003373400000000 ] - [ -0.0016275800000000, -0.0000542500000000, 0.0020559300000000 ] - [ -0.0010053100000000, 0.0000963900000000, 0.0008717600000000 ] - [ 0.0001634200000000, -0.0006060000000000, 0.0009951700000000 ] - [ -0.0003496500000000, 0.0020003800000000, 0.0010618200000000 ] - [ 0.0003997600000000, -0.0004908000000000, 0.0002588300000000 ] - [ 0.0003365400000000, -0.0003640800000000, 0.0002640200000000 ] - [ -0.0019266800000000, 0.0006491600000000, 0.0039533700000000 ] - [ 0.0001361700000000, -0.0003659300000000, 0.0006654700000000 ] - [ -0.0027882600000000, -0.0015088900000000, 0.0049132500000000 ] - [ -0.0008274300000000, 0.0003833800000000, 0.0007255000000000 ] - [ 0.0391526800000000, 0.0044159100000000, -0.0092644600000000 ] - [ 0.0021439800000000, -0.0010093500000000, -0.0001502000000000 ] - [ -0.0045754000000000, 0.0005059600000000, -0.0001082500000000 ] - [ -0.0014720100000000, 0.0005394000000000, -0.0003447600000000 ] - [ 0.0003227300000000, -0.0006323200000000, 0.0000176900000000 ] - [ 0.0013874600000000, 0.0000513000000000, 0.0010073700000000 ]- atom: 35 displacement: [ -0.0099999999631191, 0.0000000000000000, 0.0000008588465536 ] forces: - [ 0.0016091600000000, -0.0168276400000000, -0.0009211800000000 ] - [ 0.0012629500000000, 0.0224268800000000, -0.0014993800000000 ] - [ -0.0014401100000000, -0.0005980600000000, -0.0017205600000000 ] - [ -0.0004375800000000, 0.0003934500000000, -0.0004554400000000 ] - [ -0.0097929800000000, -0.0002260800000000, 0.0059667100000000 ] - [ -0.0007905500000000, 0.0001939400000000, -0.0000630100000000 ] - [ -0.0015765600000000, 0.0092727500000000, -0.0096234100000000 ] - [ -0.0036332500000000, -0.0076333800000000, -0.0056107700000000 ] - [ -0.0309289900000000, -0.0009572300000000, 0.0066845000000000 ] - [ -0.0015129600000000, 0.0001675700000000, -0.0001441800000000 ] - [ 0.0000163300000000, -0.0001634700000000, -0.0003616100000000 ] - [ 0.0000852500000000, 0.0001050600000000, -0.0003484500000000 ] - [ 0.0000397900000000, 0.0006382000000000, 0.0010155900000000 ] - [ 0.0005438400000000, -0.0005514500000000, 0.0010363100000000 ] - [ -0.0001142900000000, 0.0000580700000000, -0.0005980800000000 ] - [ -0.0001319500000000, -0.0000165900000000, -0.0005674800000000 ] - [ -0.0031311000000000, -0.0003410300000000, 0.0004967100000000 ] - [ -0.0032016500000000, 0.0000883300000000, 0.0000405300000000 ] - [ 0.0020223600000000, 0.0000773500000000, 0.0029309700000000 ] - [ 0.0012158800000000, 0.0000678900000000, -0.0001690000000000 ] - [ 0.0152606800000000, -0.0031618400000000, -0.0024254300000000 ] - [ 0.0014137000000000, 0.0006564900000000, 0.0010725600000000 ] - [ -0.0010726900000000, 0.0004326100000000, -0.0001885300000000 ] - [ -0.0016085400000000, -0.0002033300000000, 0.0000823500000000 ] - [ -0.0184597400000000, -0.0015922600000000, -0.0087420200000000 ] - [ -0.0002314300000000, 0.0005763700000000, -0.0001629800000000 ] - [ -0.0006417500000000, -0.0003028500000000, 0.0000339000000000 ] - [ -0.0001767500000000, 0.0000589800000000, 0.0000540500000000 ] - [ 0.0002485100000000, 0.0001646200000000, -0.0000215400000000 ] - [ 0.0006605400000000, -0.0002315300000000, -0.0005290800000000 ] - [ -0.0032121300000000, 0.0091406600000000, 0.0054623300000000 ] - [ -0.0018796300000000, -0.0063997100000000, 0.0070674200000000 ] - [ 0.0002555700000000, -0.0001856800000000, -0.0069302500000000 ] - [ -0.0008774900000000, -0.0004314700000000, -0.0002294100000000 ] - [ 0.4150651200000000, 0.0047573200000000, 0.0074842200000000 ] - [ 0.0038617200000000, 0.0004357200000000, -0.0006347100000000 ] - [ -0.0004734500000000, 0.0000900800000000, -0.0006340300000000 ] - [ -0.0008769800000000, 0.0001216900000000, -0.0007987300000000 ] - [ -0.0042711700000000, 0.0008649600000000, 0.0033755500000000 ] - [ -0.0012509400000000, 0.0004988200000000, 0.0010893000000000 ] - [ 0.0009908900000000, -0.0001103800000000, 0.0019060400000000 ] - [ 0.0009954700000000, 0.0029319700000000, 0.0064710300000000 ] - [ 0.0007726900000000, -0.0005524400000000, -0.0009702300000000 ] - [ 0.0003819300000000, -0.0001150000000000, -0.0007891900000000 ] - [ -0.0066895200000000, -0.0027444400000000, -0.0008765100000000 ] - [ -0.0056811900000000, 0.0025504200000000, 0.0004756700000000 ] - [ 0.0051260500000000, -0.0038236300000000, -0.0010707800000000 ] - [ 0.0021527200000000, 0.0042044400000000, -0.0015967600000000 ] - [ 0.0003016900000000, -0.0005065800000000, 0.0008086200000000 ] - [ 0.0000783300000000, -0.0000007200000000, 0.0027945900000000 ] - [ -0.0977970100000000, 0.0613805400000000, 0.0596189200000000 ] - [ -0.0002424000000000, 0.0024106100000000, -0.0009913600000000 ] - [ 0.0001484000000000, 0.0000799300000000, -0.0005993000000000 ] - [ 0.0007366400000000, -0.0000377500000000, -0.0020233700000000 ] - [ 0.0025134900000000, -0.0001038100000000, -0.0007921900000000 ] - [ 0.0035972900000000, -0.0001998500000000, -0.0011472000000000 ] - [ 0.0087989500000000, 0.0040608500000000, -0.0012263000000000 ] - [ 0.0016517800000000, -0.0008136700000000, -0.0000921800000000 ] - [ 0.0015114100000000, 0.0000385100000000, -0.0005560300000000 ] - [ 0.0013475500000000, -0.0000236800000000, -0.0003387000000000 ] - [ 0.0024928400000000, 0.0010016000000000, 0.0000885500000000 ] - [ 0.0085568300000000, -0.0029977600000000, -0.0005578500000000 ] - [ -0.0004768900000000, 0.0001088000000000, 0.0012496000000000 ] - [ -0.0001901400000000, 0.0000798600000000, 0.0005761500000000 ] - [ -0.0003965900000000, 0.0000751500000000, 0.0004823900000000 ] - [ -0.0000538800000000, 0.0000729800000000, 0.0002845300000000 ] - [ 0.0067911400000000, -0.0026363600000000, 0.0010222200000000 ] - [ 0.0049688300000000, 0.0004281900000000, 0.0005052200000000 ] - [ 0.0005205600000000, -0.0000312200000000, 0.0002982500000000 ] - [ 0.0001559100000000, -0.0000839600000000, 0.0000329100000000 ] - [ 0.0006384500000000, -0.0003874600000000, 0.0003082100000000 ] - [ 0.0006359500000000, -0.0005217100000000, 0.0001689700000000 ] - [ 0.0013892500000000, 0.0000332700000000, 0.0015205400000000 ] - [ 0.0003096400000000, -0.0003755700000000, -0.0000472600000000 ] - [ 0.0017351800000000, -0.0030991500000000, 0.0062120700000000 ] - [ -0.0008160800000000, 0.0005215000000000, 0.0001634700000000 ] - [ 0.0047713600000000, -0.0011937100000000, 0.0076349900000000 ] - [ 0.0004836300000000, 0.0008173900000000, 0.0009557200000000 ] - [ -0.0004458100000000, 0.0007245500000000, -0.0023049000000000 ] - [ 0.0005345700000000, -0.0062529400000000, -0.0076105700000000 ] - [ -0.0052045000000000, -0.0010096700000000, -0.0026541400000000 ] - [ -0.0054260500000000, -0.0022249200000000, -0.0005081600000000 ] - [ 0.0007699700000000, 0.0003587900000000, 0.0005615500000000 ] - [ 0.0009254100000000, 0.0005471900000000, 0.0007668000000000 ] - [ -0.1859051200000000, 0.0064641600000000, -0.0780824200000000 ] - [ -0.0019282900000000, -0.0003955400000000, -0.0002750000000000 ] - [ 0.0022417400000000, 0.0059015300000000, 0.0049635600000000 ] - [ 0.0003603200000000, -0.0014043700000000, 0.0004728700000000 ] - [ -0.0023173400000000, -0.0034011000000000, 0.0014071400000000 ] - [ -0.0692825900000000, -0.0652748600000000, 0.0039942400000000 ] - [ -0.0011869700000000, 0.0008833900000000, 0.0001497500000000 ] - [ -0.0006578200000000, -0.0006547900000000, 0.0000970600000000 ] - [ -0.0018308000000000, -0.0000890700000000, 0.0008664000000000 ] - [ -0.0001641800000000, 0.0008409800000000, 0.0007449800000000 ] - [ -0.0000785600000000, 0.0006146000000000, -0.0001347700000000 ] - [ -0.0000439100000000, 0.0003347200000000, 0.0000232000000000 ] - [ 0.0004106400000000, -0.0000123900000000, -0.0009472900000000 ] - [ -0.0002086700000000, -0.0001578600000000, 0.0002343200000000 ] - [ 0.0000848000000000, 0.0012648800000000, -0.0012699000000000 ] - [ 0.0005822100000000, -0.0013148500000000, -0.0013348700000000 ] - [ -0.0006356200000000, -0.0001800500000000, 0.0000292000000000 ] - [ -0.0005710700000000, -0.0003059700000000, 0.0000227100000000 ] - [ 0.0022057200000000, -0.0006460400000000, -0.0039085500000000 ] - [ 0.0001627600000000, 0.0003718900000000, -0.0006425300000000 ] - [ 0.0023437800000000, 0.0006241800000000, -0.0052284300000000 ] - [ 0.0003855700000000, -0.0012638000000000, -0.0010207200000000 ] - [ -0.0387984500000000, -0.0056361600000000, 0.0122490800000000 ] - [ -0.0016531200000000, 0.0004196600000000, 0.0017386500000000 ] - [ 0.0036581700000000, 0.0002225600000000, -0.0006660200000000 ] - [ 0.0005514100000000, 0.0001935400000000, -0.0004134800000000 ] - [ -0.0009333500000000, -0.0003773200000000, -0.0003828300000000 ] - [ -0.0019927600000000, -0.0010662600000000, -0.0013541700000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0137399100000000, 0.0144034500000000, 0.0040100900000000 ] - [ -0.0219939900000000, 0.0169345000000000, -0.0071428100000000 ] - [ 0.0002022100000000, -0.0009245200000000, -0.0002127300000000 ] - [ -0.0000032500000000, 0.0012110200000000, -0.0004466400000000 ] - [ 0.0000380500000000, -0.0048720100000000, 0.0005366700000000 ] - [ 0.0006422800000000, 0.0029933700000000, 0.0002724100000000 ] - [ -0.0121004800000000, 0.0141009300000000, -0.0111168400000000 ] - [ 0.0090647600000000, 0.0138810400000000, 0.0131142900000000 ] - [ -0.0017198500000000, -0.0152412900000000, -0.0030439800000000 ] - [ 0.0004331100000000, 0.0046045000000000, -0.0007536900000000 ] - [ 0.0000277000000000, 0.0005690000000000, -0.0007758900000000 ] - [ 0.0000618200000000, -0.0006098900000000, -0.0001943900000000 ] - [ -0.0003728000000000, 0.0013466600000000, 0.0008321200000000 ] - [ 0.0000358500000000, -0.0008958200000000, -0.0010411500000000 ] - [ -0.0003412800000000, -0.0008740900000000, -0.0006018200000000 ] - [ 0.0000477400000000, 0.0007221300000000, -0.0000477800000000 ] - [ -0.0009095800000000, 0.0007410900000000, 0.0012086400000000 ] - [ 0.0002601600000000, -0.0007494700000000, -0.0016444900000000 ] - [ 0.0009307300000000, -0.0053831800000000, -0.0056574600000000 ] - [ -0.0000213900000000, 0.0024277200000000, 0.0014688600000000 ] - [ 0.0031123300000000, -0.0109338300000000, 0.0042430800000000 ] - [ -0.0001259700000000, 0.0035972600000000, -0.0008421900000000 ] - [ -0.0001061400000000, 0.0006551300000000, -0.0002256300000000 ] - [ -0.0000937300000000, -0.0001900400000000, 0.0017512600000000 ] - [ -0.0003527500000000, -0.0007854000000000, -0.0004165100000000 ] - [ 0.0002118900000000, 0.0023418700000000, -0.0005839000000000 ] - [ 0.0006914500000000, -0.0015384800000000, -0.0004841100000000 ] - [ 0.0001990600000000, 0.0009815400000000, 0.0000684300000000 ] - [ -0.0006513800000000, 0.0011623500000000, -0.0007261300000000 ] - [ -0.0002308700000000, -0.0007010400000000, 0.0014477800000000 ] - [ -0.0048853600000000, 0.0113713100000000, 0.0069175200000000 ] - [ 0.0073961700000000, 0.0101000300000000, -0.0150795300000000 ] - [ -0.0018885600000000, -0.0064525600000000, -0.0006734000000000 ] - [ -0.0003115200000000, 0.0037645800000000, 0.0023456500000000 ] - [ 0.0002987800000000, -0.4427214300000000, 0.0487275600000000 ] - [ -0.0002535500000000, 0.0111597500000000, -0.0012692400000000 ] - [ -0.0000543200000000, 0.0007534100000000, -0.0004855800000000 ] - [ 0.0000123500000000, -0.0004992500000000, -0.0008602800000000 ] - [ -0.0017646600000000, -0.0049261000000000, 0.0016344900000000 ] - [ -0.0002170100000000, 0.0025289900000000, 0.0000975200000000 ] - [ 0.0027676600000000, 0.0026493500000000, -0.0020513100000000 ] - [ -0.0002893400000000, 0.0026498500000000, 0.0075357700000000 ] - [ -0.0003786700000000, -0.0007825500000000, -0.0015136100000000 ] - [ 0.0000588400000000, 0.0004942300000000, -0.0008196000000000 ] - [ -0.0026307100000000, 0.0003965300000000, -0.0018279000000000 ] - [ 0.0037663000000000, -0.0013475000000000, 0.0010412600000000 ] - [ 0.0036560600000000, 0.0002694500000000, 0.0023762500000000 ] - [ -0.0043552600000000, -0.0020399700000000, -0.0023190000000000 ] - [ 0.0009103400000000, -0.0032484500000000, 0.0010541100000000 ] - [ -0.0003311900000000, 0.0046609000000000, -0.0028135600000000 ] - [ -0.0588580800000000, 0.1033190100000000, 0.0618173700000000 ] - [ 0.0003291700000000, -0.0087721200000000, 0.0007490000000000 ] - [ -0.0009538000000000, -0.0012970500000000, 0.0006025300000000 ] - [ 0.0004355700000000, 0.0011109700000000, -0.0025473100000000 ] - [ 0.0014170700000000, -0.0008994500000000, 0.0001280500000000 ] - [ -0.0004509200000000, 0.0010822700000000, -0.0019949900000000 ] - [ 0.0006648600000000, 0.0015760900000000, -0.0003134000000000 ] - [ -0.0004578400000000, -0.0020445100000000, -0.0005571300000000 ] - [ 0.0008608800000000, -0.0001885000000000, -0.0009442700000000 ] - [ 0.0007429800000000, 0.0000905400000000, 0.0001268300000000 ] - [ 0.0006196900000000, -0.0016122300000000, -0.0000543700000000 ] - [ 0.0001988300000000, 0.0034744700000000, 0.0009207300000000 ] - [ 0.0004885600000000, 0.0015568600000000, 0.0004265900000000 ] - [ 0.0000810000000000, -0.0006342300000000, 0.0008177000000000 ] - [ 0.0010331100000000, 0.0012842800000000, 0.0008468800000000 ] - [ 0.0001843200000000, -0.0007428700000000, 0.0002801800000000 ] - [ 0.0053737800000000, -0.0027376300000000, 0.0004542600000000 ] - [ -0.0070605700000000, -0.0035012700000000, 0.0018694100000000 ] - [ -0.0001303100000000, 0.0007163800000000, -0.0000320500000000 ] - [ -0.0001314700000000, -0.0006774100000000, 0.0000642700000000 ] - [ 0.0000485300000000, -0.0003944200000000, 0.0003479800000000 ] - [ 0.0003585500000000, -0.0005945500000000, 0.0000692900000000 ] - [ -0.0002830100000000, 0.0013093100000000, -0.0001018800000000 ] - [ -0.0006413600000000, -0.0015749800000000, -0.0008306400000000 ] - [ 0.0008484500000000, 0.0017591100000000, 0.0000935600000000 ] - [ -0.0008641400000000, -0.0018842200000000, -0.0002177200000000 ] - [ 0.0021696100000000, 0.0049232900000000, 0.0015435800000000 ] - [ -0.0019603100000000, -0.0034639900000000, -0.0003606700000000 ] - [ -0.0019426300000000, -0.0033446100000000, 0.0005709500000000 ] - [ 0.0052368800000000, -0.0004311300000000, -0.0080913000000000 ] - [ -0.0029135100000000, -0.0029714400000000, -0.0037600600000000 ] - [ 0.0040420300000000, -0.0003358800000000, 0.0077587100000000 ] - [ 0.0006453500000000, -0.0001575600000000, 0.0006260300000000 ] - [ 0.0005708100000000, 0.0008427800000000, 0.0001191000000000 ] - [ -0.0084239300000000, 0.0415700600000000, -0.0039157300000000 ] - [ 0.0006054600000000, -0.0044357300000000, 0.0003481100000000 ] - [ -0.0007910400000000, 0.0015391000000000, -0.0000634300000000 ] - [ 0.0013167700000000, -0.0006056200000000, 0.0014047100000000 ] - [ -0.0006625900000000, -0.0097292200000000, 0.0000954200000000 ] - [ 0.0613686300000000, 0.1817400600000000, -0.0072597100000000 ] - [ -0.0008908200000000, 0.0003916700000000, -0.0013840300000000 ] - [ 0.0007021100000000, -0.0001140500000000, 0.0012518500000000 ] - [ 0.0021676600000000, 0.0013800900000000, 0.0021340900000000 ] - [ -0.0007061700000000, -0.0012404000000000, -0.0020740600000000 ] - [ -0.0002158200000000, 0.0009629700000000, 0.0011573500000000 ] - [ 0.0002405700000000, -0.0001320300000000, -0.0000019800000000 ] - [ -0.0005566600000000, 0.0012011600000000, 0.0008137100000000 ] - [ -0.0004737800000000, -0.0008704900000000, 0.0008426200000000 ] - [ -0.0024149500000000, 0.0007451400000000, 0.0011899700000000 ] - [ 0.0006764100000000, -0.0015647000000000, -0.0013857600000000 ] - [ -0.0000849900000000, -0.0002493100000000, 0.0003804000000000 ] - [ -0.0001833100000000, -0.0005879800000000, 0.0000107700000000 ] - [ 0.0028120400000000, 0.0003730700000000, -0.0043866700000000 ] - [ -0.0006731400000000, -0.0012732800000000, 0.0015081000000000 ] - [ -0.0013923900000000, 0.0056710300000000, 0.0023984200000000 ] - [ 0.0002812100000000, -0.0028173900000000, -0.0005342400000000 ] - [ 0.0056282900000000, 0.0833032400000000, -0.0869193700000000 ] - [ 0.0013362700000000, -0.0063431600000000, 0.0003050900000000 ] - [ 0.0001735400000000, 0.0018999100000000, -0.0005190600000000 ] - [ -0.0003752400000000, -0.0010172700000000, 0.0001796300000000 ] - [ -0.0007066800000000, -0.0019875500000000, 0.0013211500000000 ] - [ -0.0006414700000000, -0.0003496600000000, -0.0023371500000000 ]- atom: 35 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0138822800000000, -0.0141955400000000, -0.0045902100000000 ] - [ 0.0219018000000000, -0.0171307500000000, 0.0065981200000000 ] - [ 0.0001347900000000, 0.0010181400000000, 0.0000990200000000 ] - [ 0.0003428700000000, -0.0011185800000000, 0.0003366600000000 ] - [ 0.0002910600000000, 0.0048014600000000, -0.0006299400000000 ] - [ -0.0002985200000000, -0.0030917600000000, -0.0003837800000000 ] - [ 0.0116258500000000, -0.0141275000000000, 0.0111078900000000 ] - [ -0.0094605400000000, -0.0140199700000000, -0.0130139700000000 ] - [ 0.0019394500000000, 0.0153547000000000, 0.0023752700000000 ] - [ -0.0003034200000000, -0.0045065700000000, 0.0001056600000000 ] - [ -0.0003628800000000, -0.0006092400000000, 0.0001404700000000 ] - [ -0.0003985200000000, 0.0005789700000000, -0.0004419500000000 ] - [ 0.0000333300000000, -0.0012604300000000, -0.0007218800000000 ] - [ -0.0003761100000000, 0.0009968000000000, 0.0011540800000000 ] - [ 0.0004813200000000, 0.0007809500000000, -0.0000483000000000 ] - [ 0.0000906800000000, -0.0008176000000000, -0.0006055700000000 ] - [ 0.0007756700000000, -0.0008426200000000, -0.0005552800000000 ] - [ -0.0003950900000000, 0.0006636200000000, 0.0022927800000000 ] - [ -0.0005996500000000, 0.0054211400000000, 0.0062945500000000 ] - [ 0.0003546400000000, -0.0023950100000000, -0.0008472200000000 ] - [ -0.0027824200000000, 0.0109001500000000, -0.0037222500000000 ] - [ 0.0004601500000000, -0.0036368300000000, 0.0014860400000000 ] - [ -0.0000305900000000, -0.0005678900000000, 0.0008765900000000 ] - [ -0.0000383700000000, 0.0002878800000000, -0.0011019500000000 ] - [ 0.0008196400000000, 0.0009827800000000, -0.0000131900000000 ] - [ 0.0002463800000000, -0.0021434800000000, 0.0001474600000000 ] - [ -0.0002399800000000, 0.0013333200000000, 0.0000467300000000 ] - [ 0.0002543000000000, -0.0011913200000000, -0.0005088200000000 ] - [ 0.0001965300000000, -0.0009603000000000, 0.0011606200000000 ] - [ -0.0002244300000000, 0.0009155900000000, -0.0010145100000000 ] - [ 0.0043729500000000, -0.0115588200000000, -0.0064101800000000 ] - [ -0.0079096400000000, -0.0103586600000000, 0.0155456700000000 ] - [ 0.0017144700000000, 0.0061803500000000, 0.0018275500000000 ] - [ 0.0001172400000000, -0.0040470200000000, -0.0012229000000000 ] - [ 0.0091525500000000, 0.4527339500000000, -0.0509527400000000 ] - [ -0.0001473600000000, -0.0103818100000000, -0.0004178800000000 ] - [ 0.0002491900000000, -0.0004719400000000, -0.0006460700000000 ] - [ 0.0001823700000000, 0.0007902600000000, -0.0002675200000000 ] - [ 0.0015791300000000, 0.0052293600000000, -0.0005201400000000 ] - [ 0.0000222700000000, -0.0022452700000000, 0.0010345600000000 ] - [ -0.0023524700000000, -0.0019257700000000, 0.0037307300000000 ] - [ 0.0006978000000000, -0.0019249800000000, -0.0059013400000000 ] - [ -0.0000363800000000, 0.0000339300000000, -0.0001809800000000 ] - [ -0.0004755600000000, -0.0012417800000000, -0.0008785800000000 ] - [ 0.0028279800000000, -0.0006993800000000, 0.0006999700000000 ] - [ -0.0035632000000000, 0.0010755400000000, -0.0021564000000000 ] - [ -0.0032294400000000, -0.0010270200000000, -0.0006734900000000 ] - [ 0.0047976600000000, 0.0013150400000000, 0.0040286800000000 ] - [ -0.0006035800000000, 0.0032406700000000, -0.0010261900000000 ] - [ 0.0006349500000000, -0.0046845800000000, 0.0028322500000000 ] - [ 0.0563994900000000, -0.1016787700000000, -0.0585199000000000 ] - [ 0.0001756100000000, 0.0084918400000000, -0.0003640400000000 ] - [ 0.0004596200000000, 0.0010488400000000, -0.0009823400000000 ] - [ -0.0009337200000000, -0.0013714400000000, 0.0021799600000000 ] - [ -0.0002034300000000, 0.0009702500000000, -0.0012391300000000 ] - [ 0.0016579200000000, -0.0010235100000000, 0.0008798000000000 ] - [ -0.0009650500000000, -0.0015679600000000, 0.0002887900000000 ] - [ 0.0001409400000000, 0.0020328300000000, 0.0005327200000000 ] - [ 0.0003505500000000, 0.0001286900000000, -0.0001597800000000 ] - [ 0.0004695700000000, -0.0001579300000000, -0.0012356200000000 ] - [ -0.0001976300000000, 0.0025065200000000, 0.0003518100000000 ] - [ 0.0002286200000000, -0.0026039100000000, -0.0006268000000000 ] - [ -0.0000042800000000, -0.0009779300000000, 0.0011814900000000 ] - [ 0.0004047100000000, 0.0012253900000000, 0.0007829600000000 ] - [ -0.0005442800000000, -0.0010349900000000, -0.0004648200000000 ] - [ 0.0003085700000000, 0.0009981100000000, 0.0001071200000000 ] - [ -0.0044480000000000, 0.0020256900000000, 0.0002918600000000 ] - [ 0.0079705400000000, 0.0027553600000000, -0.0011079800000000 ] - [ -0.0001744800000000, -0.0007132600000000, 0.0000133900000000 ] - [ -0.0001728200000000, 0.0006879200000000, -0.0000842000000000 ] - [ 0.0003830300000000, -0.0004912800000000, -0.0000490500000000 ] - [ 0.0000710400000000, -0.0002933800000000, 0.0002310300000000 ] - [ -0.0006442900000000, -0.0020488200000000, -0.0006597600000000 ] - [ -0.0002841600000000, 0.0008419800000000, 0.0000745800000000 ] - [ -0.0006106900000000, -0.0024456000000000, -0.0003625500000000 ] - [ 0.0010978500000000, 0.0012235700000000, -0.0000669700000000 ] - [ -0.0033963100000000, -0.0048504000000000, -0.0004493200000000 ] - [ 0.0007485100000000, 0.0035271000000000, 0.0014753900000000 ] - [ 0.0014443000000000, 0.0027571300000000, -0.0021536000000000 ] - [ -0.0057855600000000, -0.0001480100000000, 0.0065644100000000 ] - [ 0.0022870800000000, 0.0039946100000000, 0.0033843700000000 ] - [ -0.0046849400000000, 0.0013492700000000, -0.0081574100000000 ] - [ 0.0002776800000000, 0.0008954700000000, 0.0001314200000000 ] - [ 0.0003526800000000, -0.0001118600000000, 0.0006391500000000 ] - [ 0.0077671400000000, -0.0424574500000000, 0.0036117800000000 ] - [ 0.0000082100000000, 0.0034146700000000, 0.0000026000000000 ] - [ 0.0002955400000000, -0.0012725300000000, -0.0003218700000000 ] - [ -0.0018196500000000, 0.0008542700000000, -0.0018006200000000 ] - [ 0.0004342000000000, 0.0103457400000000, 0.0001825000000000 ] - [ -0.0674455300000000, -0.1925077700000000, 0.0083343900000000 ] - [ 0.0004050600000000, 0.0002014300000000, -0.0002193200000000 ] - [ -0.0011913600000000, 0.0006987500000000, -0.0028588200000000 ] - [ -0.0026096300000000, -0.0004849300000000, -0.0024431900000000 ] - [ 0.0002769400000000, 0.0021240800000000, 0.0017723400000000 ] - [ 0.0008410300000000, 0.0000545800000000, -0.0008026400000000 ] - [ 0.0003820400000000, 0.0011508300000000, 0.0003613100000000 ] - [ -0.0006590300000000, -0.0012694800000000, 0.0003006500000000 ] - [ -0.0007388200000000, 0.0008094100000000, 0.0002621100000000 ] - [ 0.0026586200000000, -0.0000705400000000, -0.0014762300000000 ] - [ -0.0004440300000000, 0.0022400800000000, 0.0011121100000000 ] - [ -0.0001502700000000, -0.0004159800000000, -0.0000962300000000 ] - [ -0.0000509700000000, -0.0000811700000000, 0.0002730000000000 ] - [ -0.0025204700000000, -0.0003543200000000, 0.0044416600000000 ] - [ 0.0009810600000000, 0.0012796100000000, -0.0014886600000000 ] - [ 0.0009629100000000, -0.0065780900000000, -0.0026943900000000 ] - [ -0.0007106200000000, 0.0019341900000000, 0.0002329500000000 ] - [ -0.0050522600000000, -0.0836639500000000, 0.0859686500000000 ] - [ -0.0008469400000000, 0.0057601500000000, 0.0013012400000000 ] - [ -0.0011023300000000, -0.0011674100000000, -0.0002318200000000 ] - [ -0.0005495400000000, 0.0017509800000000, -0.0009372400000000 ] - [ 0.0000864100000000, 0.0009813900000000, -0.0016747400000000 ] - [ 0.0000270800000000, -0.0006702400000000, 0.0019933600000000 ]- atom: 35 displacement: [ -0.0004120271249244, 0.0000000000000000, 0.0099915080767783 ] forces: - [ 0.0007777100000000, 0.0046087100000000, -0.0131245300000000 ] - [ 0.0017590500000000, -0.0067570800000000, -0.0090847500000000 ] - [ 0.0005895400000000, 0.0003864300000000, 0.0031000700000000 ] - [ 0.0006072500000000, -0.0000958800000000, 0.0017249500000000 ] - [ -0.0035790700000000, 0.0010267100000000, -0.0057773400000000 ] - [ -0.0009919900000000, -0.0006931400000000, -0.0022305300000000 ] - [ 0.0123152600000000, -0.0126364000000000, -0.0071792400000000 ] - [ 0.0020566200000000, 0.0051146800000000, -0.0028010500000000 ] - [ -0.0114876900000000, -0.0031783300000000, -0.0079059300000000 ] - [ 0.0000999600000000, 0.0005066800000000, -0.0021519600000000 ] - [ -0.0006589700000000, -0.0002502300000000, 0.0034332500000000 ] - [ -0.0004071900000000, 0.0004759000000000, 0.0028913900000000 ] - [ -0.0002058200000000, 0.0008846800000000, 0.0029970500000000 ] - [ -0.0003542100000000, -0.0007860600000000, 0.0032488800000000 ] - [ 0.0007168500000000, 0.0002507900000000, 0.0036579800000000 ] - [ 0.0002356400000000, -0.0001278200000000, 0.0014385100000000 ] - [ -0.0002654100000000, 0.0011929500000000, 0.0009011300000000 ] - [ -0.0000516000000000, -0.0015206800000000, 0.0007652300000000 ] - [ -0.0026086000000000, 0.0037230200000000, 0.0246785600000000 ] - [ 0.0006141100000000, -0.0008647100000000, 0.0005070500000000 ] - [ 0.0020141600000000, -0.0005021100000000, 0.0351790100000000 ] - [ -0.0002209300000000, 0.0001784300000000, 0.0005553300000000 ] - [ 0.0000032800000000, -0.0013263300000000, 0.0011417400000000 ] - [ 0.0002130800000000, 0.0011646500000000, 0.0009253500000000 ] - [ 0.0076455200000000, 0.0009149100000000, 0.0030297800000000 ] - [ 0.0005415700000000, -0.0000764500000000, -0.0013197600000000 ] - [ -0.0005505400000000, 0.0004398800000000, 0.0025876300000000 ] - [ -0.0001957300000000, -0.0004668700000000, 0.0013397500000000 ] - [ 0.0007268600000000, -0.0016127500000000, 0.0033616200000000 ] - [ 0.0000875800000000, 0.0016896300000000, 0.0027618300000000 ] - [ -0.0041066200000000, 0.0104375700000000, 0.0041283400000000 ] - [ -0.0025233000000000, -0.0054955400000000, -0.0010185900000000 ] - [ 0.0090481100000000, 0.0008163500000000, 0.0032852100000000 ] - [ 0.0010474400000000, -0.0017941100000000, -0.0009735400000000 ] - [ 0.0028066700000000, 0.0444814600000000, -0.4674333300000000 ] - [ -0.0002631000000000, -0.0000454900000000, -0.0038510800000000 ] - [ 0.0002215400000000, 0.0000311500000000, 0.0027585800000000 ] - [ 0.0003401200000000, 0.0002042200000000, 0.0023674800000000 ] - [ -0.0032592200000000, 0.0002006800000000, 0.0056646100000000 ] - [ -0.0008051600000000, 0.0001275300000000, 0.0021414900000000 ] - [ -0.0054123500000000, -0.0063573500000000, 0.0044925200000000 ] - [ -0.0007985800000000, 0.0033606600000000, 0.0046420200000000 ] - [ -0.0000608700000000, 0.0002870800000000, 0.0057724500000000 ] - [ -0.0002598300000000, -0.0004036000000000, 0.0020038100000000 ] - [ -0.0013230100000000, 0.0011307700000000, -0.0068095500000000 ] - [ 0.0003301300000000, -0.0019847500000000, -0.0058422500000000 ] - [ 0.0023432500000000, 0.0010023300000000, 0.0047491200000000 ] - [ 0.0027564800000000, -0.0033693100000000, 0.0046278000000000 ] - [ -0.0008007900000000, 0.0021973400000000, -0.0006546400000000 ] - [ -0.0039654600000000, -0.0034847500000000, -0.0023780800000000 ] - [ -0.0630699500000000, 0.0652071700000000, 0.1026520100000000 ] - [ 0.0003544700000000, 0.0000668800000000, 0.0016368000000000 ] - [ 0.0010257400000000, 0.0014483700000000, -0.0016032900000000 ] - [ 0.0006611600000000, -0.0007848100000000, -0.0018827200000000 ] - [ -0.0002421800000000, 0.0001686300000000, 0.0028770000000000 ] - [ 0.0005894600000000, -0.0007206800000000, 0.0024980000000000 ] - [ -0.0023048300000000, -0.0020372100000000, 0.0042354100000000 ] - [ -0.0002632800000000, 0.0006181000000000, 0.0020723800000000 ] - [ 0.0008136600000000, -0.0005114800000000, -0.0030871700000000 ] - [ 0.0006336900000000, 0.0000961900000000, -0.0026388900000000 ] - [ 0.0010894400000000, -0.0005061700000000, 0.0020803300000000 ] - [ -0.0026170200000000, 0.0036829700000000, 0.0031231400000000 ] - [ 0.0007806000000000, 0.0005869300000000, -0.0059779200000000 ] - [ 0.0003677100000000, -0.0001249400000000, -0.0014156800000000 ] - [ -0.0000781900000000, -0.0002313400000000, -0.0045573200000000 ] - [ 0.0001835000000000, 0.0008512400000000, -0.0016197700000000 ] - [ 0.0055057000000000, -0.0040806700000000, 0.0036878500000000 ] - [ -0.0000145300000000, 0.0008422700000000, 0.0020451200000000 ] - [ 0.0000006200000000, -0.0000715800000000, -0.0019164700000000 ] - [ -0.0000546200000000, 0.0001313600000000, -0.0015266200000000 ] - [ 0.0005780000000000, 0.0000450300000000, -0.0021317900000000 ] - [ 0.0003249800000000, -0.0003708700000000, -0.0014033300000000 ] - [ -0.0018477100000000, -0.0009395100000000, -0.0015212400000000 ] - [ -0.0005308300000000, 0.0000369100000000, -0.0005832400000000 ] - [ -0.0017187300000000, 0.0009613900000000, -0.0028076600000000 ] - [ -0.0008189500000000, -0.0016289200000000, -0.0008981400000000 ] - [ -0.0071057300000000, -0.0002879900000000, 0.0059363100000000 ] - [ -0.0006906800000000, 0.0005315200000000, 0.0023402300000000 ] - [ 0.0030431400000000, 0.0043448200000000, 0.0016430000000000 ] - [ 0.0044998000000000, -0.0061498900000000, 0.0007767600000000 ] - [ -0.0025328000000000, -0.0037557400000000, -0.0032141600000000 ] - [ -0.0009457100000000, 0.0047910500000000, -0.0019491200000000 ] - [ -0.0001124000000000, 0.0008391000000000, -0.0016709000000000 ] - [ -0.0001910000000000, -0.0000332800000000, -0.0016022200000000 ] - [ 0.0765713400000000, -0.0042936700000000, 0.0796265000000000 ] - [ 0.0006930700000000, -0.0003492400000000, 0.0017816700000000 ] - [ -0.0020516600000000, -0.0023552700000000, -0.0019715700000000 ] - [ -0.0012698700000000, 0.0014334000000000, -0.0001845000000000 ] - [ -0.0006986400000000, -0.0013163300000000, 0.0055983900000000 ] - [ -0.0056664700000000, -0.0079026800000000, 0.0420858300000000 ] - [ -0.0005909600000000, 0.0000417100000000, -0.0040997700000000 ] - [ -0.0006954100000000, 0.0010988500000000, -0.0036126600000000 ] - [ -0.0043683100000000, 0.0016382200000000, -0.0042098700000000 ] - [ -0.0005275000000000, 0.0001064700000000, 0.0000188700000000 ] - [ 0.0003858400000000, 0.0004241300000000, -0.0037834200000000 ] - [ 0.0000267900000000, 0.0006234300000000, -0.0013855900000000 ] - [ 0.0000254000000000, 0.0001572300000000, -0.0032801500000000 ] - [ -0.0004023400000000, -0.0000031700000000, -0.0011153000000000 ] - [ 0.0049522600000000, 0.0017370200000000, -0.0028360700000000 ] - [ 0.0008137900000000, -0.0010816300000000, -0.0007961800000000 ] - [ -0.0002693900000000, -0.0002656300000000, -0.0025399400000000 ] - [ -0.0002113500000000, -0.0003044100000000, -0.0015366700000000 ] - [ 0.0024157000000000, -0.0011798100000000, -0.0036998800000000 ] - [ 0.0006343600000000, 0.0007283500000000, -0.0005966800000000 ] - [ 0.0031191800000000, 0.0016762400000000, -0.0034234700000000 ] - [ 0.0003294500000000, -0.0016309700000000, -0.0007088500000000 ] - [ -0.0135762100000000, -0.0856495700000000, 0.2151976100000000 ] - [ -0.0002248900000000, -0.0005585300000000, 0.0032716800000000 ] - [ 0.0002811300000000, 0.0000551700000000, -0.0013988300000000 ] - [ -0.0004678700000000, 0.0004191900000000, -0.0004057200000000 ] - [ 0.0008192500000000, 0.0031313800000000, -0.0042345300000000 ] - [ -0.0001009200000000, -0.0024002000000000, -0.0016809500000000 ]- atom: 35 displacement: [ 0.0004120271249244, 0.0000000000000000, -0.0099915080767783 ] forces: - [ -0.0011430300000000, -0.0046264500000000, 0.0124650800000000 ] - [ -0.0021485100000000, 0.0068620500000000, 0.0084254800000000 ] - [ -0.0002478600000000, -0.0002850100000000, -0.0032105900000000 ] - [ -0.0002668400000000, 0.0001853700000000, -0.0018385500000000 ] - [ 0.0039302300000000, -0.0011014100000000, 0.0056860100000000 ] - [ 0.0013309900000000, 0.0005886700000000, 0.0021253400000000 ] - [ -0.0126379400000000, 0.0125611800000000, 0.0073106400000000 ] - [ -0.0024059000000000, -0.0052290000000000, 0.0029465600000000 ] - [ 0.0116840100000000, 0.0032740200000000, 0.0071916500000000 ] - [ 0.0000422300000000, -0.0004167300000000, 0.0014935500000000 ] - [ 0.0003214200000000, 0.0002187000000000, -0.0040545500000000 ] - [ 0.0000725200000000, -0.0005117800000000, -0.0035193100000000 ] - [ -0.0001336700000000, -0.0007849600000000, -0.0028824600000000 ] - [ 0.0000073300000000, 0.0008713700000000, -0.0031317900000000 ] - [ -0.0005807500000000, -0.0003382400000000, -0.0043053300000000 ] - [ -0.0000971200000000, 0.0000318000000000, -0.0020852300000000 ] - [ 0.0001269400000000, -0.0012833200000000, -0.0002619400000000 ] - [ -0.0000863200000000, 0.0014249000000000, -0.0001285700000000 ] - [ 0.0029568500000000, -0.0036190200000000, -0.0241518700000000 ] - [ -0.0002815000000000, 0.0008872500000000, 0.0001320100000000 ] - [ -0.0016455300000000, 0.0005178000000000, -0.0339924400000000 ] - [ 0.0005545700000000, -0.0002201100000000, 0.0000669000000000 ] - [ -0.0001400900000000, 0.0014227800000000, -0.0004837900000000 ] - [ -0.0003519000000000, -0.0010781500000000, -0.0002717400000000 ] - [ -0.0071516100000000, -0.0007110900000000, -0.0034846800000000 ] - [ -0.0000928700000000, 0.0002708800000000, 0.0008716900000000 ] - [ 0.0009979800000000, -0.0006464500000000, -0.0030203700000000 ] - [ 0.0006448400000000, 0.0002535900000000, -0.0017740600000000 ] - [ -0.0011698800000000, 0.0018239700000000, -0.0029148600000000 ] - [ -0.0005359500000000, -0.0014878200000000, -0.0023325300000000 ] - [ 0.0036252100000000, -0.0105971700000000, -0.0037034300000000 ] - [ 0.0020491100000000, 0.0052511700000000, 0.0014323900000000 ] - [ -0.0092631200000000, -0.0010696500000000, -0.0021622700000000 ] - [ -0.0012363400000000, 0.0014982500000000, 0.0021089900000000 ] - [ -0.0036359900000000, -0.0555957400000000, 0.4754763400000000 ] - [ -0.0001532600000000, 0.0007842900000000, 0.0021588300000000 ] - [ -0.0000271000000000, 0.0002554800000000, -0.0038842300000000 ] - [ -0.0001483500000000, 0.0000794000000000, -0.0034914300000000 ] - [ 0.0030444000000000, 0.0001018900000000, -0.0045359100000000 ] - [ 0.0006095100000000, 0.0001497600000000, -0.0010182600000000 ] - [ 0.0057847800000000, 0.0070938000000000, -0.0027735300000000 ] - [ 0.0012148800000000, -0.0026447400000000, -0.0030049100000000 ] - [ -0.0003536900000000, -0.0010134600000000, -0.0074412900000000 ] - [ -0.0001557400000000, -0.0003503100000000, -0.0036946200000000 ] - [ 0.0015176600000000, -0.0014179500000000, 0.0056869500000000 ] - [ -0.0001282500000000, 0.0017031000000000, 0.0047333300000000 ] - [ -0.0019190400000000, -0.0017463400000000, -0.0030603000000000 ] - [ -0.0023080100000000, 0.0026111500000000, -0.0029263000000000 ] - [ 0.0010992900000000, -0.0021922400000000, 0.0006650400000000 ] - [ 0.0042961800000000, 0.0034836500000000, 0.0024113000000000 ] - [ 0.0605636100000000, -0.0622842600000000, -0.1002222100000000 ] - [ 0.0001411200000000, -0.0003290200000000, -0.0012385600000000 ] - [ -0.0015171000000000, -0.0017032500000000, 0.0012147200000000 ] - [ -0.0011632600000000, 0.0005260900000000, 0.0015075100000000 ] - [ 0.0014520300000000, -0.0001039100000000, -0.0039918400000000 ] - [ 0.0006174200000000, 0.0007850100000000, -0.0036166600000000 ] - [ 0.0020159300000000, 0.0020337300000000, -0.0042614700000000 ] - [ -0.0000417300000000, -0.0006215700000000, -0.0020964500000000 ] - [ 0.0003994000000000, 0.0004470000000000, 0.0019842000000000 ] - [ 0.0005791500000000, -0.0001573800000000, 0.0015347200000000 ] - [ -0.0006541100000000, 0.0013984700000000, -0.0017786100000000 ] - [ 0.0030639900000000, -0.0028118700000000, -0.0028291000000000 ] - [ -0.0002888600000000, -0.0000005200000000, 0.0075378900000000 ] - [ 0.0001192800000000, 0.0007136000000000, 0.0030151300000000 ] - [ 0.0005761000000000, 0.0004848900000000, 0.0049352300000000 ] - [ 0.0003132000000000, -0.0005899800000000, 0.0019969700000000 ] - [ -0.0046019700000000, 0.0033600400000000, -0.0029318600000000 ] - [ 0.0009229900000000, -0.0015850800000000, -0.0012787300000000 ] - [ -0.0003046000000000, 0.0000749900000000, 0.0018954400000000 ] - [ -0.0002476800000000, -0.0001265000000000, 0.0015035800000000 ] - [ -0.0001434500000000, -0.0009306600000000, 0.0024258500000000 ] - [ 0.0001086700000000, -0.0005088600000000, 0.0016990400000000 ] - [ 0.0009340400000000, 0.0001989800000000, 0.0007637000000000 ] - [ -0.0003927500000000, -0.0007655800000000, -0.0001787100000000 ] - [ 0.0019298100000000, -0.0016247500000000, 0.0025213800000000 ] - [ 0.0010510600000000, 0.0009612700000000, 0.0006200100000000 ] - [ 0.0059100400000000, 0.0003446200000000, -0.0048477600000000 ] - [ -0.0005244000000000, -0.0004659800000000, -0.0012373400000000 ] - [ -0.0035170900000000, -0.0049181800000000, -0.0032471900000000 ] - [ -0.0050385500000000, 0.0056254500000000, -0.0023622100000000 ] - [ 0.0019116200000000, 0.0047576200000000, 0.0028637900000000 ] - [ 0.0003103200000000, -0.0037360500000000, 0.0015875200000000 ] - [ 0.0010298100000000, -0.0001074500000000, 0.0024217000000000 ] - [ 0.0011119700000000, 0.0007676200000000, 0.0023582000000000 ] - [ -0.0737053400000000, 0.0032196100000000, -0.0789168700000000 ] - [ -0.0000753500000000, -0.0006602200000000, -0.0014178600000000 ] - [ 0.0015498000000000, 0.0026078500000000, 0.0016035500000000 ] - [ 0.0007628600000000, -0.0011706000000000, -0.0001867700000000 ] - [ 0.0004609900000000, 0.0019991800000000, -0.0053132200000000 ] - [ 0.0059076800000000, 0.0096890200000000, -0.0420149300000000 ] - [ 0.0001014700000000, 0.0005388700000000, 0.0025017600000000 ] - [ 0.0002019300000000, -0.0005064800000000, 0.0020075200000000 ] - [ 0.0039263500000000, -0.0007679800000000, 0.0039031700000000 ] - [ 0.0000950100000000, 0.0007856200000000, -0.0003251000000000 ] - [ 0.0002279500000000, 0.0005863500000000, 0.0041345400000000 ] - [ 0.0005906800000000, 0.0003979300000000, 0.0017398300000000 ] - [ -0.0012335900000000, -0.0002244200000000, 0.0043833700000000 ] - [ -0.0008097300000000, -0.0000576600000000, 0.0022198600000000 ] - [ -0.0047092600000000, -0.0010840700000000, 0.0025465600000000 ] - [ -0.0005844100000000, 0.0017694600000000, 0.0005178100000000 ] - [ 0.0000361500000000, -0.0004129900000000, 0.0028171600000000 ] - [ -0.0000222000000000, -0.0003596900000000, 0.0018184600000000 ] - [ -0.0020970000000000, 0.0011706100000000, 0.0037275100000000 ] - [ -0.0003264000000000, -0.0007149600000000, 0.0006216900000000 ] - [ -0.0035220200000000, -0.0025574100000000, 0.0031240600000000 ] - [ -0.0007644300000000, 0.0007500000000000, 0.0004213000000000 ] - [ 0.0147688300000000, 0.0924320200000000, -0.2258316600000000 ] - [ 0.0007155000000000, -0.0000247600000000, -0.0016830000000000 ] - [ -0.0011940400000000, 0.0006710500000000, 0.0006568200000000 ] - [ -0.0004507200000000, 0.0003158100000000, -0.0003426800000000 ] - [ -0.0014275700000000, -0.0041326700000000, 0.0038397700000000 ] - [ -0.0005139400000000, 0.0013929500000000, 0.0013325300000000 ]- atom: 49 displacement: [ 0.0099999999631191, 0.0000000000000000, -0.0000008588465536 ] forces: - [ -0.0014172400000000, 0.0003890600000000, -0.0011341800000000 ] - [ -0.0009407000000000, -0.0002956200000000, -0.0007340100000000 ] - [ -0.0001939100000000, -0.0000946600000000, -0.0002289200000000 ] - [ -0.0003479700000000, 0.0001022600000000, -0.0004856100000000 ] - [ -0.0005656800000000, -0.0001277300000000, -0.0004481900000000 ] - [ -0.0045686800000000, 0.0002893200000000, 0.0018110700000000 ] - [ 0.0064585300000000, 0.0001052500000000, 0.0004239500000000 ] - [ 0.0026203700000000, 0.0006274600000000, 0.0001894300000000 ] - [ 0.0006903600000000, 0.0001453000000000, -0.0003101900000000 ] - [ 0.0012238000000000, -0.0004060600000000, 0.0026423100000000 ] - [ -0.0023192900000000, 0.0000881000000000, 0.0012868100000000 ] - [ -0.0010695000000000, -0.0001286300000000, -0.0001453700000000 ] - [ 0.0010293300000000, 0.0004753200000000, 0.0007300500000000 ] - [ 0.0003082400000000, -0.0000263500000000, 0.0003040900000000 ] - [ 0.0008354300000000, -0.0003193700000000, -0.0002973200000000 ] - [ 0.0042045100000000, 0.0007956300000000, -0.0045886100000000 ] - [ -0.0000519900000000, -0.0001468000000000, 0.0005692500000000 ] - [ -0.0001274600000000, 0.0000560200000000, 0.0005539600000000 ] - [ 0.0005000700000000, 0.0020883000000000, 0.0002424600000000 ] - [ -0.0064016000000000, -0.0082666400000000, 0.0019230200000000 ] - [ 0.0001398800000000, 0.0000722300000000, 0.0003091700000000 ] - [ 0.0001635100000000, -0.0002100200000000, 0.0003930100000000 ] - [ -0.0070998200000000, -0.0084649500000000, -0.0036267700000000 ] - [ -0.0001488400000000, 0.0032980700000000, 0.0001076000000000 ] - [ -0.0001691900000000, -0.0000079100000000, 0.0000546800000000 ] - [ -0.0005687300000000, 0.0002069200000000, 0.0000833200000000 ] - [ -0.0006535000000000, -0.0001521600000000, -0.0000143300000000 ] - [ -0.0057923800000000, -0.0001702800000000, -0.0031194600000000 ] - [ 0.0101035100000000, -0.0002841800000000, -0.0010803000000000 ] - [ 0.0006706100000000, 0.0001245700000000, -0.0000716300000000 ] - [ 0.0005449200000000, 0.0001258600000000, -0.0003150700000000 ] - [ 0.0002686100000000, -0.0001749000000000, 0.0002522700000000 ] - [ 0.0008826700000000, 0.0001850400000000, 0.0004889600000000 ] - [ 0.1028002600000000, -0.0979837200000000, -0.0116748700000000 ] - [ -0.0003546400000000, 0.0011347100000000, -0.0018173500000000 ] - [ -0.0001394900000000, -0.0001005400000000, -0.0050003900000000 ] - [ -0.0009820600000000, -0.0004284500000000, -0.0019380800000000 ] - [ 0.0007242000000000, 0.0011921300000000, -0.0011390100000000 ] - [ 0.0002931900000000, 0.0001446600000000, 0.0006083500000000 ] - [ 0.0005419400000000, 0.0001541900000000, 0.0006845600000000 ] - [ -0.0087613300000000, -0.0004294800000000, -0.0016762400000000 ] - [ -0.0015952600000000, 0.0006671700000000, 0.0006740400000000 ] - [ -0.0002144000000000, 0.0004496100000000, -0.0003791300000000 ] - [ -0.0022620500000000, -0.0030435200000000, 0.0013133400000000 ] - [ -0.0000801100000000, -0.0019831400000000, 0.0050726400000000 ] - [ -0.0007804800000000, 0.0011908000000000, 0.0004168400000000 ] - [ -0.0004661100000000, -0.0003590900000000, 0.0009884900000000 ] - [ -0.0001025700000000, -0.0003588300000000, 0.0009469400000000 ] - [ -0.1365901900000000, 0.1343844900000000, 0.0282955900000000 ] - [ -0.0003418100000000, -0.0003808700000000, 0.0001638300000000 ] - [ 0.0000428100000000, -0.0004840400000000, 0.0007634600000000 ] - [ -0.0010277200000000, 0.0003314400000000, 0.0009755400000000 ] - [ 0.0050456500000000, 0.0015358200000000, -0.0002839300000000 ] - [ 0.0006037900000000, -0.0003844000000000, -0.0002312300000000 ] - [ 0.0073156800000000, 0.0037444800000000, -0.0087458300000000 ] - [ 0.0010749300000000, -0.0011664000000000, -0.0007812600000000 ] - [ 0.0007082500000000, 0.0012411100000000, -0.0011716100000000 ] - [ 0.0007134200000000, -0.0005124300000000, -0.0006605400000000 ] - [ 0.0007415500000000, 0.0002035400000000, 0.0002536700000000 ] - [ 0.0003982600000000, -0.0001933100000000, -0.0002319000000000 ] - [ 0.0011581100000000, 0.0002124700000000, -0.0014645100000000 ] - [ 0.0005597100000000, 0.0002337800000000, -0.0000682800000000 ] - [ 0.0001990300000000, 0.0000741900000000, 0.0004687600000000 ] - [ 0.0008026300000000, 0.0004413000000000, -0.0010489500000000 ] - [ -0.0002195500000000, -0.0000798400000000, 0.0001146500000000 ] - [ 0.0011379900000000, 0.0038681300000000, -0.0091333900000000 ] - [ -0.0008904100000000, 0.0001553200000000, -0.0006553300000000 ] - [ 0.0002077000000000, -0.0010467600000000, -0.0004372400000000 ] - [ 0.0000536200000000, -0.0003450400000000, 0.0000530100000000 ] - [ 0.0007679900000000, 0.0003982000000000, 0.0011971200000000 ] - [ 0.0009859300000000, 0.0001175600000000, 0.0008352600000000 ] - [ 0.0008271500000000, -0.0019806900000000, 0.0019658500000000 ] - [ -0.0010010500000000, -0.0004235100000000, -0.0004837100000000 ] - [ 0.0217759900000000, -0.0187718400000000, 0.0082691600000000 ] - [ 0.0003458300000000, -0.0002928400000000, -0.0001511700000000 ] - [ 0.0005987600000000, -0.0002786800000000, -0.0001326400000000 ] - [ -0.0019014500000000, -0.0003362600000000, 0.0004049700000000 ] - [ -0.0016344300000000, -0.0093427100000000, -0.0074797000000000 ] - [ 0.0030831900000000, -0.0000983300000000, 0.0004794600000000 ] - [ 0.0004446500000000, -0.0002828500000000, -0.0007383200000000 ] - [ -0.0000390100000000, 0.0003718900000000, 0.0000945200000000 ] - [ -0.0002073800000000, 0.0005240300000000, -0.0001130300000000 ] - [ -0.0003600000000000, 0.0017240800000000, 0.0038887600000000 ] - [ -0.0001159600000000, 0.0001040700000000, 0.0005167800000000 ] - [ 0.0007378400000000, -0.0006190800000000, 0.0004587500000000 ] - [ 0.0012935400000000, -0.0005251600000000, 0.0010828200000000 ] - [ 0.0002029200000000, 0.0000926200000000, -0.0003332800000000 ] - [ 0.0000990400000000, 0.0001009100000000, -0.0002634100000000 ] - [ -0.0005492800000000, 0.0005152000000000, 0.0027113700000000 ] - [ -0.0004972700000000, 0.0000022200000000, 0.0002313000000000 ] - [ 0.0002145900000000, 0.0001886400000000, -0.0010910100000000 ] - [ 0.0001348200000000, 0.0003366600000000, -0.0009111300000000 ] - [ -0.0041171000000000, -0.0003330900000000, -0.0001860200000000 ] - [ -0.0088682800000000, 0.0017326700000000, -0.0008778200000000 ] - [ 0.0007578800000000, -0.0000985700000000, -0.0003069700000000 ] - [ 0.0021700900000000, 0.0011232600000000, -0.0006536400000000 ] - [ -0.0008584400000000, 0.0000106400000000, 0.0005267700000000 ] - [ -0.0011749300000000, 0.0000674900000000, 0.0009642000000000 ] - [ 0.0032215500000000, -0.0005888600000000, 0.0004966100000000 ] - [ 0.0045175900000000, -0.0002991800000000, -0.0002871400000000 ] - [ -0.0004895500000000, -0.0011506300000000, -0.0009232200000000 ] - [ -0.0003992000000000, 0.0009728100000000, -0.0002112200000000 ] - [ -0.0001797700000000, -0.0000574800000000, -0.0000849500000000 ] - [ -0.0002184200000000, -0.0000143900000000, -0.0000529300000000 ] - [ -0.0004547300000000, -0.0005346700000000, -0.0002438100000000 ] - [ -0.0007660300000000, -0.0003322900000000, -0.0002838200000000 ] - [ 0.0003735100000000, -0.0013423300000000, 0.0016973200000000 ] - [ 0.0010254400000000, 0.0034419500000000, 0.0052498900000000 ] - [ -0.0006015800000000, 0.0004404900000000, -0.0005239800000000 ] - [ -0.0005369700000000, 0.0003124500000000, -0.0007840500000000 ] - [ 0.0125631600000000, -0.0075669000000000, -0.0028856800000000 ] - [ 0.0003069500000000, 0.0007145700000000, -0.0000883700000000 ]- atom: 49 displacement: [ -0.0099999999631191, 0.0000000000000000, 0.0000008588465536 ] forces: - [ 0.0010753700000000, -0.0003531700000000, 0.0004833800000000 ] - [ 0.0005951500000000, 0.0003252700000000, 0.0000966700000000 ] - [ 0.0005231400000000, 0.0001935000000000, 0.0001122200000000 ] - [ 0.0006775500000000, -0.0000047200000000, 0.0003695300000000 ] - [ 0.0008905900000000, 0.0000360400000000, 0.0003231800000000 ] - [ 0.0048927500000000, -0.0003994900000000, -0.0019551100000000 ] - [ -0.0067902700000000, -0.0001671600000000, -0.0003503400000000 ] - [ -0.0029376200000000, -0.0007162200000000, -0.0000493500000000 ] - [ -0.0005605600000000, -0.0000667500000000, -0.0003264300000000 ] - [ -0.0010911500000000, 0.0004810300000000, -0.0032648000000000 ] - [ 0.0019748700000000, -0.0001179400000000, -0.0019127400000000 ] - [ 0.0007262100000000, 0.0000937900000000, -0.0004876000000000 ] - [ -0.0013606500000000, -0.0003757500000000, -0.0006117400000000 ] - [ -0.0006413900000000, 0.0001225300000000, -0.0001865200000000 ] - [ -0.0007070800000000, 0.0002404000000000, -0.0003487800000000 ] - [ -0.0041023700000000, -0.0008681700000000, 0.0039267600000000 ] - [ -0.0000849300000000, 0.0000706300000000, 0.0000690500000000 ] - [ -0.0000084700000000, -0.0001337200000000, 0.0000846500000000 ] - [ -0.0001370700000000, -0.0020486700000000, 0.0003924100000000 ] - [ 0.0069863500000000, 0.0083943600000000, -0.0013230100000000 ] - [ 0.0002066000000000, -0.0001029000000000, 0.0003276500000000 ] - [ 0.0001826300000000, 0.0001764500000000, 0.0002495100000000 ] - [ 0.0068434800000000, 0.0085468900000000, 0.0042617600000000 ] - [ -0.0000174700000000, -0.0032294100000000, 0.0005235900000000 ] - [ 0.0006278400000000, 0.0002112400000000, -0.0004998400000000 ] - [ 0.0010278000000000, -0.0000083300000000, -0.0005314700000000 ] - [ 0.0011074100000000, -0.0000537200000000, -0.0004266600000000 ] - [ 0.0062624200000000, -0.0000391500000000, 0.0026896800000000 ] - [ -0.0105391500000000, 0.0003606100000000, 0.0013491500000000 ] - [ -0.0011012500000000, 0.0001089200000000, 0.0004954500000000 ] - [ -0.0010047200000000, -0.0003274700000000, 0.0007630200000000 ] - [ -0.0007215100000000, -0.0000280800000000, 0.0001927000000000 ] - [ -0.0010948100000000, -0.0004809100000000, 0.0006454000000000 ] - [ -0.1044210000000000, 0.1019256100000000, 0.0133726500000000 ] - [ -0.0000412200000000, -0.0003881400000000, 0.0001081300000000 ] - [ -0.0002513500000000, 0.0008560000000000, 0.0032743700000000 ] - [ 0.0011417500000000, 0.0007154000000000, 0.0008131000000000 ] - [ -0.0005567000000000, -0.0009146800000000, 0.0000154500000000 ] - [ -0.0004772400000000, 0.0001405300000000, 0.0005146100000000 ] - [ -0.0007278200000000, 0.0001293500000000, 0.0004448600000000 ] - [ 0.0091508900000000, 0.0011941800000000, 0.0033795600000000 ] - [ 0.0019982200000000, 0.0000597000000000, 0.0010327900000000 ] - [ -0.0001793400000000, -0.0011963300000000, -0.0013293600000000 ] - [ 0.0018792500000000, 0.0022990600000000, -0.0030218400000000 ] - [ 0.0002516500000000, 0.0017009800000000, -0.0062100300000000 ] - [ 0.0009556800000000, -0.0014709000000000, -0.0015337000000000 ] - [ 0.0008685200000000, -0.0003922800000000, 0.0007255300000000 ] - [ 0.0005034800000000, -0.0003922300000000, 0.0007670800000000 ] - [ 0.1384809200000000, -0.1388131400000000, -0.0284888300000000 ] - [ 0.0006336500000000, 0.0003563500000000, -0.0001455000000000 ] - [ 0.0004313100000000, 0.0002384900000000, -0.0003838500000000 ] - [ 0.0014998800000000, -0.0005818300000000, -0.0005906400000000 ] - [ -0.0055251600000000, -0.0017892500000000, -0.0001013600000000 ] - [ -0.0010758900000000, 0.0001398400000000, -0.0001560000000000 ] - [ -0.0061511900000000, -0.0037175800000000, 0.0077081800000000 ] - [ 0.0001518800000000, 0.0012261100000000, -0.0003307900000000 ] - [ -0.0010033600000000, -0.0012671400000000, 0.0011553000000000 ] - [ -0.0009987400000000, 0.0004970900000000, 0.0006363100000000 ] - [ 0.0004803700000000, -0.0002653000000000, -0.0013588400000000 ] - [ 0.0008227400000000, 0.0001304200000000, -0.0008796400000000 ] - [ -0.0007173200000000, 0.0006868400000000, 0.0017699000000000 ] - [ -0.0001194800000000, 0.0006611100000000, 0.0003665300000000 ] - [ 0.0002589700000000, 0.0005238800000000, 0.0011420800000000 ] - [ -0.0003464300000000, 0.0001585400000000, 0.0026641600000000 ] - [ 0.0006898500000000, 0.0003297800000000, 0.0002728600000000 ] - [ -0.0007083100000000, -0.0036208500000000, 0.0094947600000000 ] - [ 0.0018310600000000, -0.0008923400000000, 0.0014175100000000 ] - [ 0.0007271300000000, 0.0003085400000000, 0.0011954100000000 ] - [ -0.0003438500000000, 0.0003636200000000, -0.0000774000000000 ] - [ -0.0010535700000000, -0.0003870100000000, -0.0012308100000000 ] - [ -0.0005392600000000, -0.0010134700000000, -0.0005476900000000 ] - [ -0.0003851500000000, 0.0010994300000000, -0.0016829300000000 ] - [ 0.0000838600000000, -0.0003149100000000, -0.0002727600000000 ] - [ -0.0230701800000000, 0.0183733000000000, -0.0092041600000000 ] - [ -0.0000990200000000, -0.0003765500000000, -0.0001297100000000 ] - [ -0.0003511300000000, -0.0003896200000000, -0.0001475700000000 ] - [ 0.0006945100000000, 0.0004030700000000, 0.0006977500000000 ] - [ 0.0004909800000000, 0.0094493700000000, 0.0086222500000000 ] - [ -0.0035361200000000, -0.0005094100000000, -0.0020844800000000 ] - [ -0.0009061200000000, -0.0003112800000000, -0.0008677700000000 ] - [ -0.0005834400000000, 0.0006471400000000, -0.0004461600000000 ] - [ -0.0004130600000000, 0.0004950900000000, -0.0002380300000000 ] - [ 0.0013199600000000, -0.0009837700000000, -0.0031141500000000 ] - [ 0.0010583200000000, 0.0006279300000000, 0.0002548400000000 ] - [ -0.0001219100000000, -0.0004002400000000, -0.0001089900000000 ] - [ -0.0006776100000000, -0.0004939700000000, -0.0007301200000000 ] - [ -0.0006806000000000, 0.0001555600000000, -0.0000498300000000 ] - [ -0.0005763300000000, 0.0001478000000000, -0.0001216200000000 ] - [ 0.0002871100000000, 0.0001474000000000, -0.0024314700000000 ] - [ 0.0002458200000000, 0.0006660100000000, 0.0000465600000000 ] - [ -0.0006751500000000, 0.0004113800000000, -0.0005273400000000 ] - [ -0.0005958400000000, 0.0002652100000000, -0.0007073100000000 ] - [ 0.0036755500000000, 0.0012923900000000, -0.0001027100000000 ] - [ 0.0084781400000000, -0.0010187600000000, 0.0006280400000000 ] - [ -0.0001417500000000, 0.0011130700000000, 0.0006537600000000 ] - [ -0.0015589200000000, -0.0001037900000000, 0.0009848900000000 ] - [ -0.0003596000000000, -0.0000751000000000, 0.0005858000000000 ] - [ -0.0000414600000000, -0.0001306300000000, 0.0001429100000000 ] - [ -0.0029690300000000, 0.0012446000000000, -0.0007703500000000 ] - [ -0.0042662600000000, 0.0009863200000000, 0.0000158500000000 ] - [ 0.0002353700000000, 0.0004810800000000, 0.0012043100000000 ] - [ 0.0001438800000000, -0.0016414000000000, 0.0004948800000000 ] - [ 0.0004725400000000, 0.0000737500000000, 0.0001085300000000 ] - [ 0.0005121800000000, 0.0000327200000000, 0.0000776700000000 ] - [ 0.0000157600000000, -0.0003619700000000, -0.0000553400000000 ] - [ 0.0003243900000000, -0.0005610100000000, -0.0000123900000000 ] - [ 0.0000719200000000, 0.0007467700000000, -0.0000799800000000 ] - [ -0.0005783700000000, -0.0040202800000000, -0.0036074600000000 ] - [ -0.0003277800000000, 0.0002948500000000, -0.0002352600000000 ] - [ -0.0003885100000000, 0.0004237800000000, 0.0000268400000000 ] - [ -0.0130859400000000, 0.0064505300000000, 0.0024829400000000 ] - [ -0.0009406600000000, -0.0017147400000000, -0.0002661400000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002388200000000, 0.0007261600000000, 0.0004791100000000 ] - [ -0.0001048500000000, -0.0010211600000000, -0.0009183900000000 ] - [ 0.0000833200000000, -0.0005382900000000, -0.0002540300000000 ] - [ 0.0003022200000000, 0.0005476200000000, 0.0002671800000000 ] - [ -0.0002119500000000, -0.0020831400000000, 0.0003195100000000 ] - [ 0.0025586900000000, 0.0033975900000000, -0.0012864300000000 ] - [ -0.0000143800000000, 0.0129417100000000, -0.0066529000000000 ] - [ -0.0020934500000000, -0.0057260000000000, -0.0036325600000000 ] - [ -0.0005351100000000, -0.0016099700000000, 0.0009440300000000 ] - [ 0.0000448400000000, 0.0023080000000000, -0.0044945600000000 ] - [ 0.0002458800000000, 0.0009842000000000, -0.0016466200000000 ] - [ -0.0001600000000000, -0.0009447700000000, 0.0002496200000000 ] - [ 0.0001890100000000, 0.0012700000000000, -0.0005356500000000 ] - [ -0.0003567900000000, -0.0009667000000000, 0.0005036400000000 ] - [ -0.0006977500000000, -0.0026076100000000, -0.0031452700000000 ] - [ 0.0011457300000000, 0.0025937600000000, 0.0068661600000000 ] - [ -0.0001371000000000, 0.0004756200000000, 0.0005700700000000 ] - [ -0.0000059700000000, -0.0005436700000000, 0.0000444600000000 ] - [ 0.0022116500000000, -0.0036664900000000, -0.0002665700000000 ] - [ -0.0069539600000000, 0.0053325800000000, 0.0015665200000000 ] - [ 0.0003375900000000, -0.0004523700000000, 0.0006916500000000 ] - [ 0.0000476900000000, 0.0004015200000000, 0.0002489400000000 ] - [ -0.0094070300000000, 0.0032385600000000, -0.0020992000000000 ] - [ 0.0032079900000000, -0.0047218600000000, 0.0007365000000000 ] - [ 0.0003239600000000, -0.0004454700000000, 0.0000107100000000 ] - [ 0.0003250800000000, 0.0007726000000000, -0.0005818500000000 ] - [ -0.0000889900000000, -0.0014214300000000, -0.0007187400000000 ] - [ 0.0027176900000000, 0.0012086800000000, 0.0016114200000000 ] - [ -0.0009278700000000, 0.0111732700000000, 0.0023946200000000 ] - [ -0.0031197900000000, -0.0061083200000000, 0.0036098400000000 ] - [ -0.0000961000000000, 0.0006931000000000, 0.0013031400000000 ] - [ -0.0005703600000000, -0.0008776400000000, -0.0001695400000000 ] - [ -0.0039312700000000, -0.0103546900000000, 0.0040668400000000 ] - [ -0.1019358000000000, 0.1900951900000000, 0.0207133500000000 ] - [ 0.0002932400000000, -0.0028574200000000, 0.0013493300000000 ] - [ -0.0001986200000000, 0.0050594500000000, -0.0043440800000000 ] - [ -0.0023074900000000, 0.0015415400000000, -0.0019230600000000 ] - [ 0.0009778100000000, -0.0011221000000000, 0.0006521200000000 ] - [ -0.0000468900000000, -0.0003086700000000, 0.0005324600000000 ] - [ -0.0003130800000000, 0.0004388200000000, 0.0006252300000000 ] - [ 0.0042925900000000, 0.0019489700000000, 0.0030734200000000 ] - [ -0.0006119000000000, -0.0016496500000000, 0.0002073600000000 ] - [ 0.0001598200000000, -0.0016619100000000, -0.0015669900000000 ] - [ -0.0008451400000000, 0.0000017000000000, 0.0002755400000000 ] - [ -0.0012836300000000, 0.0004527500000000, 0.0019596000000000 ] - [ 0.0015695700000000, -0.0027368100000000, -0.0022840200000000 ] - [ 0.0002407500000000, 0.0003315500000000, 0.0007901800000000 ] - [ 0.0002937800000000, -0.0010621400000000, 0.0009939800000000 ] - [ 0.1402994700000000, -0.2784108500000000, -0.0222833100000000 ] - [ -0.0002189200000000, 0.0084883300000000, -0.0001566500000000 ] - [ -0.0003325800000000, 0.0010910600000000, -0.0015226800000000 ] - [ 0.0007143100000000, -0.0007306500000000, 0.0014110300000000 ] - [ -0.0014475000000000, -0.0031183300000000, 0.0000793100000000 ] - [ -0.0001935800000000, 0.0015442400000000, -0.0004104100000000 ] - [ 0.0053278600000000, -0.0022118500000000, -0.0044384800000000 ] - [ -0.0002545300000000, 0.0027436700000000, 0.0000267700000000 ] - [ 0.0003561600000000, 0.0004490000000000, -0.0006173200000000 ] - [ -0.0014052700000000, 0.0004444800000000, 0.0009701000000000 ] - [ 0.0010189900000000, -0.0001490300000000, 0.0004144200000000 ] - [ 0.0005628600000000, 0.0001871500000000, -0.0011420000000000 ] - [ 0.0006296200000000, -0.0011000400000000, -0.0006215800000000 ] - [ -0.0001458400000000, 0.0016127300000000, 0.0005589900000000 ] - [ 0.0002427200000000, 0.0009340700000000, 0.0011892000000000 ] - [ 0.0003313800000000, -0.0002017500000000, 0.0000192500000000 ] - [ -0.0000244200000000, 0.0019982600000000, 0.0007183200000000 ] - [ 0.0019573800000000, -0.0032189200000000, -0.0023412900000000 ] - [ 0.0014613100000000, -0.0010135300000000, -0.0013212600000000 ] - [ 0.0003945400000000, 0.0009117800000000, 0.0016557100000000 ] - [ -0.0005040100000000, 0.0012470000000000, -0.0000454700000000 ] - [ 0.0002472200000000, -0.0016418000000000, -0.0004044100000000 ] - [ 0.0008295400000000, -0.0003453800000000, 0.0010818900000000 ] - [ -0.0002837000000000, 0.0003205500000000, -0.0011503600000000 ] - [ 0.0019365900000000, 0.0027552900000000, 0.0000959400000000 ] - [ -0.0143216300000000, -0.0009809800000000, -0.0039945400000000 ] - [ 0.0001047500000000, 0.0001971500000000, -0.0001898000000000 ] - [ 0.0000838800000000, -0.0008999700000000, -0.0001312700000000 ] - [ 0.0015797800000000, 0.0037520000000000, -0.0008436500000000 ] - [ -0.0102196000000000, 0.0073347200000000, 0.0134867300000000 ] - [ -0.0011109600000000, -0.0019678500000000, -0.0017353700000000 ] - [ -0.0001225300000000, 0.0011229200000000, -0.0002554600000000 ] - [ -0.0004173600000000, 0.0000623000000000, -0.0004052100000000 ] - [ -0.0003356200000000, 0.0009655500000000, -0.0001346000000000 ] - [ 0.0033824700000000, -0.0012188900000000, 0.0054780400000000 ] - [ -0.0004738500000000, 0.0027385700000000, -0.0016464400000000 ] - [ -0.0002624300000000, 0.0003795800000000, -0.0004831800000000 ] - [ 0.0004575000000000, -0.0017821400000000, 0.0009428400000000 ] - [ -0.0001859700000000, -0.0000244700000000, -0.0003278200000000 ] - [ -0.0003989900000000, 0.0003172800000000, 0.0000028900000000 ] - [ -0.0012567600000000, -0.0037765000000000, -0.0013998000000000 ] - [ 0.0004525700000000, 0.0026744100000000, 0.0004123100000000 ] - [ -0.0002603400000000, 0.0001225700000000, -0.0004586600000000 ] - [ -0.0002605500000000, 0.0005410500000000, -0.0011380900000000 ] - [ 0.0021515400000000, 0.0234567200000000, 0.0027810300000000 ] - [ -0.0050240100000000, 0.0336850700000000, -0.0088057900000000 ] - [ 0.0000050500000000, 0.0013403500000000, 0.0005853800000000 ] - [ 0.0006241300000000, -0.0000107600000000, -0.0003941600000000 ] - [ -0.0006040600000000, 0.0005831100000000, 0.0009649800000000 ] - [ -0.0005769200000000, -0.0007535600000000, -0.0002537800000000 ] - [ -0.0007727900000000, 0.0011933500000000, -0.0006219300000000 ] - [ -0.0002411100000000, 0.0011506300000000, 0.0002393000000000 ] - [ -0.0007869900000000, 0.0001102200000000, 0.0017077100000000 ] - [ 0.0006135700000000, -0.0002356100000000, -0.0011772100000000 ] - [ 0.0002120900000000, 0.0000343600000000, -0.0001887100000000 ] - [ 0.0001717000000000, 0.0000577200000000, 0.0001309800000000 ] - [ -0.0001834600000000, 0.0002078600000000, -0.0001432400000000 ] - [ -0.0000155700000000, -0.0012320600000000, -0.0001082100000000 ] - [ -0.0020071700000000, 0.0027941400000000, -0.0005877400000000 ] - [ 0.0030195600000000, -0.0001393500000000, 0.0049003100000000 ] - [ -0.0003521500000000, 0.0006832700000000, -0.0005111600000000 ] - [ -0.0006766600000000, 0.0001261900000000, -0.0000515100000000 ] - [ -0.0096553100000000, 0.0009231300000000, 0.0017954800000000 ] - [ 0.0013121700000000, 0.0014358000000000, -0.0003424400000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005882800000000, -0.0006999300000000, -0.0011184200000000 ] - [ -0.0002413500000000, 0.0010538300000000, 0.0002849200000000 ] - [ 0.0002448500000000, 0.0006322300000000, 0.0001348600000000 ] - [ 0.0000285200000000, -0.0004455900000000, -0.0003905100000000 ] - [ 0.0005464000000000, 0.0019846000000000, -0.0004417700000000 ] - [ -0.0022321500000000, -0.0034891700000000, 0.0011791700000000 ] - [ -0.0002471300000000, -0.0135124800000000, 0.0074078400000000 ] - [ 0.0017558600000000, 0.0056265700000000, 0.0037202600000000 ] - [ 0.0006736500000000, 0.0016906300000000, -0.0015940400000000 ] - [ 0.0000869500000000, -0.0022255600000000, 0.0038563200000000 ] - [ -0.0005871200000000, -0.0010242100000000, 0.0010052300000000 ] - [ -0.0001875800000000, 0.0009213900000000, -0.0008854400000000 ] - [ -0.0005190200000000, -0.0011788400000000, 0.0006438900000000 ] - [ 0.0000220700000000, 0.0010670900000000, -0.0003826300000000 ] - [ 0.0008353100000000, 0.0025215900000000, 0.0025266300000000 ] - [ -0.0010136500000000, -0.0026218500000000, -0.0075033700000000 ] - [ 0.0000051900000000, -0.0005513200000000, 0.0000638500000000 ] - [ -0.0001258000000000, 0.0004693700000000, 0.0005907100000000 ] - [ -0.0018836400000000, 0.0036949800000000, 0.0009113100000000 ] - [ 0.0073805800000000, -0.0051798100000000, -0.0009318400000000 ] - [ 0.0000072400000000, 0.0004243000000000, -0.0000655200000000 ] - [ 0.0002986000000000, -0.0004312100000000, 0.0003874500000000 ] - [ 0.0092110400000000, -0.0032550900000000, 0.0027290200000000 ] - [ -0.0033094500000000, 0.0048075500000000, -0.0000975600000000 ] - [ 0.0001338400000000, 0.0006434000000000, -0.0004579700000000 ] - [ 0.0001369200000000, -0.0005670400000000, 0.0001326900000000 ] - [ 0.0005533500000000, 0.0012033800000000, 0.0002776900000000 ] - [ -0.0022744100000000, -0.0014167000000000, -0.0020686900000000 ] - [ 0.0007203400000000, -0.0112608100000000, -0.0024940400000000 ] - [ 0.0026351600000000, 0.0063009400000000, -0.0031377600000000 ] - [ -0.0003675700000000, -0.0009018500000000, -0.0008635500000000 ] - [ 0.0001144800000000, 0.0006779800000000, 0.0006102300000000 ] - [ 0.0037745000000000, 0.0100791400000000, -0.0029578700000000 ] - [ 0.0945629000000000, -0.1815757400000000, -0.0180667600000000 ] - [ -0.0007025000000000, 0.0036176700000000, -0.0030713600000000 ] - [ -0.0001979000000000, -0.0042983100000000, 0.0026443300000000 ] - [ 0.0024661000000000, -0.0012618600000000, 0.0007850700000000 ] - [ -0.0007796000000000, 0.0014186600000000, -0.0017705200000000 ] - [ -0.0001348900000000, 0.0005901300000000, 0.0005900600000000 ] - [ 0.0001288200000000, -0.0001510500000000, 0.0004944000000000 ] - [ -0.0038811500000000, -0.0012098000000000, -0.0013542400000000 ] - [ 0.0010064000000000, 0.0024136700000000, 0.0015000800000000 ] - [ -0.0005640600000000, 0.0009032900000000, -0.0001376700000000 ] - [ 0.0004645300000000, -0.0007120100000000, -0.0020081300000000 ] - [ 0.0014780700000000, -0.0007466200000000, -0.0030578000000000 ] - [ -0.0013822200000000, 0.0024528200000000, 0.0011548300000000 ] - [ 0.0001608400000000, -0.0010844600000000, 0.0009190200000000 ] - [ 0.0001058600000000, 0.0003149500000000, 0.0007155000000000 ] - [ -0.1329883900000000, 0.2699580200000000, 0.0207785500000000 ] - [ 0.0005172100000000, -0.0085058400000000, 0.0001939400000000 ] - [ 0.0008116400000000, -0.0013418100000000, 0.0019244100000000 ] - [ -0.0002371400000000, 0.0004819600000000, -0.0010250900000000 ] - [ 0.0009755600000000, 0.0028809900000000, -0.0004652600000000 ] - [ -0.0002830200000000, -0.0017921600000000, 0.0000214300000000 ] - [ -0.0040923800000000, 0.0023095000000000, 0.0032937300000000 ] - [ 0.0014697200000000, -0.0026823500000000, -0.0011382700000000 ] - [ -0.0006521600000000, -0.0004608600000000, 0.0005878700000000 ] - [ 0.0011056300000000, -0.0004652400000000, -0.0009923100000000 ] - [ 0.0002037300000000, 0.0000894000000000, -0.0015158500000000 ] - [ 0.0006526800000000, -0.0002562500000000, 0.0000251100000000 ] - [ -0.0001956700000000, 0.0019999200000000, 0.0009153800000000 ] - [ 0.0005804600000000, -0.0007139000000000, -0.0002580400000000 ] - [ 0.0002196400000000, -0.0003336100000000, 0.0004222800000000 ] - [ 0.0001211400000000, 0.0008026800000000, 0.0016223000000000 ] - [ 0.0005054500000000, -0.0017484200000000, -0.0003424100000000 ] - [ -0.0015329500000000, 0.0034087400000000, 0.0028155400000000 ] - [ -0.0005373400000000, 0.0002832500000000, 0.0020863700000000 ] - [ 0.0005416800000000, -0.0016513100000000, -0.0008898100000000 ] - [ 0.0002048800000000, -0.0012290900000000, 0.0000187300000000 ] - [ -0.0005365200000000, 0.0016609000000000, 0.0003852400000000 ] - [ -0.0003881400000000, -0.0005431900000000, -0.0007865000000000 ] - [ 0.0007166000000000, -0.0012305000000000, 0.0014542000000000 ] - [ -0.0028924500000000, -0.0034958800000000, -0.0008613200000000 ] - [ 0.0133968200000000, 0.0001138800000000, 0.0032503800000000 ] - [ 0.0001439100000000, -0.0008658500000000, -0.0000876400000000 ] - [ 0.0001643800000000, 0.0002340000000000, -0.0001451700000000 ] - [ -0.0028115100000000, -0.0036920300000000, 0.0019660200000000 ] - [ 0.0088744600000000, -0.0072502500000000, -0.0122458600000000 ] - [ 0.0006491400000000, 0.0013698300000000, 0.0001104600000000 ] - [ -0.0003373100000000, -0.0017254100000000, -0.0013561000000000 ] - [ -0.0002064700000000, 0.0009618100000000, 0.0000560100000000 ] - [ -0.0002863700000000, 0.0000525100000000, -0.0002136900000000 ] - [ -0.0024214300000000, 0.0019905100000000, -0.0046832200000000 ] - [ 0.0013963700000000, -0.0019933300000000, 0.0023862700000000 ] - [ 0.0008931700000000, -0.0014005300000000, 0.0008388700000000 ] - [ 0.0001660400000000, 0.0007607500000000, -0.0005906800000000 ] - [ -0.0002882300000000, 0.0002727300000000, -0.0000552500000000 ] - [ -0.0000751900000000, -0.0000724500000000, -0.0003865900000000 ] - [ 0.0010098200000000, 0.0044642100000000, 0.0016634800000000 ] - [ -0.0006984400000000, -0.0020098100000000, -0.0001285800000000 ] - [ -0.0002001500000000, 0.0004827400000000, -0.0011562900000000 ] - [ -0.0002000800000000, 0.0000580200000000, -0.0004782800000000 ] - [ -0.0025936800000000, -0.0228723200000000, -0.0031729300000000 ] - [ 0.0044865000000000, -0.0321101500000000, 0.0083069700000000 ] - [ 0.0006211000000000, -0.0003150500000000, -0.0002347900000000 ] - [ -0.0000096800000000, 0.0010214000000000, 0.0007458900000000 ] - [ -0.0006141700000000, -0.0006453800000000, 0.0001457000000000 ] - [ -0.0006373600000000, 0.0006871600000000, 0.0013705500000000 ] - [ 0.0010188600000000, -0.0005144200000000, 0.0003421600000000 ] - [ 0.0004965900000000, -0.0004951500000000, -0.0005239500000000 ] - [ 0.0005379000000000, -0.0007672200000000, -0.0014281500000000 ] - [ -0.0008547700000000, -0.0004529200000000, 0.0014502400000000 ] - [ 0.0000811200000000, -0.0000128300000000, 0.0002169200000000 ] - [ 0.0001240100000000, -0.0000411900000000, -0.0001037800000000 ] - [ -0.0002531900000000, -0.0011062600000000, -0.0001523500000000 ] - [ -0.0004205600000000, 0.0003364100000000, -0.0001835500000000 ] - [ 0.0024796700000000, -0.0034027800000000, 0.0022066300000000 ] - [ -0.0025432400000000, -0.0004779000000000, -0.0032796200000000 ] - [ -0.0005820700000000, 0.0000564500000000, -0.0002470500000000 ] - [ -0.0002555600000000, 0.0006106100000000, -0.0007039800000000 ] - [ 0.0090610000000000, -0.0019209700000000, -0.0021677000000000 ] - [ -0.0019201800000000, -0.0024626000000000, -0.0000094900000000 ]- atom: 49 displacement: [ -0.0004120271249244, 0.0000000000000000, 0.0099915080767783 ] forces: - [ -0.0010886400000000, 0.0005201900000000, -0.0009664500000000 ] - [ -0.0003947000000000, -0.0004959100000000, -0.0007291200000000 ] - [ -0.0000548000000000, -0.0004042800000000, -0.0011016400000000 ] - [ 0.0000852200000000, 0.0004630600000000, -0.0014286200000000 ] - [ 0.0006855300000000, 0.0001545000000000, 0.0011817400000000 ] - [ 0.0023292000000000, -0.0004054500000000, 0.0026953900000000 ] - [ 0.0001230400000000, -0.0077127800000000, 0.0180742200000000 ] - [ -0.0012743700000000, -0.0027530800000000, 0.0022859700000000 ] - [ 0.0004015000000000, 0.0006795500000000, -0.0013480900000000 ] - [ 0.0008309800000000, -0.0000100300000000, -0.0056997700000000 ] - [ 0.0007844400000000, -0.0008164700000000, -0.0008390600000000 ] - [ 0.0001880400000000, 0.0005576700000000, -0.0003304300000000 ] - [ -0.0000855000000000, -0.0006927000000000, -0.0031308100000000 ] - [ -0.0004133400000000, 0.0004480300000000, -0.0011374300000000 ] - [ -0.0001419400000000, -0.0015698200000000, -0.0004852500000000 ] - [ -0.0036171000000000, 0.0052330100000000, -0.0063070400000000 ] - [ 0.0001234200000000, 0.0001229700000000, -0.0019210300000000 ] - [ 0.0000140200000000, -0.0000649600000000, -0.0010405700000000 ] - [ 0.0003773800000000, -0.0004230700000000, 0.0023338800000000 ] - [ 0.0022861900000000, 0.0020609200000000, 0.0084935200000000 ] - [ 0.0000952000000000, 0.0001324500000000, -0.0011852100000000 ] - [ 0.0001141100000000, 0.0000933900000000, -0.0021409100000000 ] - [ -0.0040164000000000, -0.0018248600000000, 0.0068266400000000 ] - [ -0.0005300400000000, 0.0008871600000000, 0.0023790300000000 ] - [ 0.0002353700000000, 0.0001831200000000, -0.0011825700000000 ] - [ 0.0001944900000000, -0.0000256800000000, -0.0015320300000000 ] - [ 0.0001916600000000, -0.0005374000000000, 0.0004696100000000 ] - [ -0.0005362500000000, 0.0001728900000000, -0.0001708600000000 ] - [ -0.0020861700000000, 0.0021544200000000, 0.0149067000000000 ] - [ 0.0001236800000000, 0.0013769000000000, 0.0003439200000000 ] - [ -0.0000824300000000, 0.0003314700000000, -0.0023581700000000 ] - [ -0.0003219800000000, -0.0004762400000000, -0.0010513100000000 ] - [ -0.0016351700000000, -0.0005050000000000, 0.0051772800000000 ] - [ -0.0176687300000000, 0.0255208800000000, 0.0443514400000000 ] - [ -0.0010084800000000, 0.0013865900000000, -0.0014954000000000 ] - [ -0.0030014100000000, -0.0024519100000000, -0.0031691800000000 ] - [ -0.0045931200000000, -0.0005219300000000, -0.0034754000000000 ] - [ 0.0000371500000000, 0.0005068100000000, -0.0015024500000000 ] - [ -0.0000114800000000, -0.0000870600000000, -0.0011217400000000 ] - [ -0.0000521300000000, 0.0002855300000000, -0.0023695500000000 ] - [ 0.0017907800000000, 0.0007000900000000, 0.0052478700000000 ] - [ 0.0003672000000000, 0.0009068200000000, 0.0029364900000000 ] - [ 0.0004393100000000, -0.0018948700000000, -0.0014420500000000 ] - [ 0.0037921300000000, 0.0041383300000000, -0.0044811700000000 ] - [ 0.0016313700000000, 0.0009459300000000, -0.0034672900000000 ] - [ 0.0014882700000000, -0.0024468200000000, -0.0013264600000000 ] - [ -0.0000656400000000, -0.0003938900000000, -0.0010862900000000 ] - [ 0.0001829800000000, -0.0002947300000000, -0.0006844000000000 ] - [ 0.0335757200000000, -0.0259649500000000, -0.0946058700000000 ] - [ 0.0003295300000000, -0.0001751200000000, -0.0018383300000000 ] - [ 0.0007399000000000, -0.0011471400000000, 0.0015871000000000 ] - [ 0.0006341800000000, 0.0009652100000000, 0.0017191700000000 ] - [ -0.0001001200000000, 0.0001938000000000, -0.0016261600000000 ] - [ -0.0002282100000000, -0.0002108300000000, -0.0009804400000000 ] - [ -0.0058820500000000, -0.0024015700000000, 0.0006958300000000 ] - [ -0.0002463000000000, 0.0015448900000000, -0.0018870500000000 ] - [ -0.0008386100000000, -0.0010364500000000, 0.0006722000000000 ] - [ -0.0013522100000000, 0.0006187600000000, 0.0006509200000000 ] - [ 0.0015272500000000, 0.0005420400000000, 0.0023624200000000 ] - [ 0.0006210300000000, -0.0001649700000000, 0.0004545700000000 ] - [ -0.0005278700000000, 0.0006702900000000, 0.0013184300000000 ] - [ -0.0000673800000000, 0.0007127300000000, 0.0005030900000000 ] - [ 0.0001069900000000, 0.0005740100000000, 0.0018190200000000 ] - [ -0.0009618600000000, -0.0001217400000000, 0.0046713700000000 ] - [ 0.0001267000000000, 0.0003810900000000, -0.0000011100000000 ] - [ -0.0086418300000000, -0.0063841400000000, 0.0135591800000000 ] - [ -0.0005593500000000, -0.0009067600000000, 0.0023110600000000 ] - [ 0.0002840700000000, 0.0007380700000000, 0.0016066700000000 ] - [ -0.0000968000000000, -0.0000169300000000, 0.0001927800000000 ] - [ 0.0010172700000000, -0.0004014900000000, 0.0007771400000000 ] - [ 0.0015550900000000, 0.0006467100000000, 0.0001106100000000 ] - [ 0.0003300800000000, -0.0011603200000000, 0.0004986800000000 ] - [ -0.0002669000000000, -0.0000277300000000, -0.0017450300000000 ] - [ 0.0095169000000000, -0.0063164500000000, -0.0066515700000000 ] - [ 0.0001771400000000, -0.0002765400000000, 0.0006187200000000 ] - [ 0.0001413900000000, -0.0002914800000000, 0.0009430300000000 ] - [ -0.0014812400000000, -0.0021269900000000, -0.0016756400000000 ] - [ -0.0117604100000000, 0.0174537300000000, 0.0071261200000000 ] - [ -0.0002849800000000, -0.0007736200000000, -0.0029692700000000 ] - [ -0.0001636700000000, -0.0004475000000000, -0.0020638400000000 ] - [ 0.0002058100000000, 0.0004584800000000, 0.0013468200000000 ] - [ -0.0000683100000000, 0.0005749400000000, 0.0007164700000000 ] - [ 0.0064953300000000, 0.0036937300000000, 0.0083368900000000 ] - [ 0.0007781900000000, -0.0000386100000000, 0.0005566900000000 ] - [ 0.0007450100000000, -0.0007114900000000, 0.0007630700000000 ] - [ 0.0013798600000000, -0.0001512200000000, 0.0012545700000000 ] - [ -0.0002753300000000, 0.0002033500000000, 0.0008969000000000 ] - [ -0.0003553400000000, 0.0003407100000000, 0.0008000000000000 ] - [ 0.0022952300000000, 0.0012497800000000, 0.0042335600000000 ] - [ 0.0000268700000000, 0.0002531600000000, 0.0004054600000000 ] - [ -0.0002343800000000, 0.0003407500000000, 0.0005926500000000 ] - [ -0.0003733700000000, -0.0000499500000000, 0.0003244800000000 ] - [ 0.0006476200000000, 0.0059074700000000, -0.0045152200000000 ] - [ 0.0011837400000000, -0.0103960500000000, -0.0069024200000000 ] - [ 0.0000763300000000, 0.0010004200000000, 0.0000139000000000 ] - [ -0.0015756200000000, -0.0006323400000000, 0.0000166200000000 ] - [ -0.0006704700000000, 0.0000989000000000, 0.0016812000000000 ] - [ -0.0004178200000000, -0.0004851000000000, 0.0032231500000000 ] - [ -0.0005169100000000, 0.0008909600000000, -0.0016739900000000 ] - [ 0.0003754100000000, -0.0002538500000000, -0.0018182900000000 ] - [ -0.0010674900000000, 0.0014400400000000, 0.0012839900000000 ] - [ -0.0004158100000000, -0.0025988200000000, 0.0009958800000000 ] - [ 0.0000705400000000, 0.0002081700000000, 0.0013095900000000 ] - [ 0.0001041200000000, -0.0001107100000000, 0.0012507600000000 ] - [ -0.0003132800000000, -0.0002849900000000, 0.0009315200000000 ] - [ -0.0003632000000000, -0.0002242700000000, 0.0019337600000000 ] - [ 0.0023039600000000, -0.0025031200000000, -0.0003157000000000 ] - [ 0.0029043800000000, 0.0023784600000000, 0.0004104000000000 ] - [ -0.0003605300000000, 0.0003702800000000, 0.0006875900000000 ] - [ -0.0003693800000000, 0.0003830300000000, 0.0012692500000000 ] - [ -0.0047880900000000, 0.0018354200000000, -0.0029450800000000 ] - [ -0.0008832700000000, -0.0010298800000000, -0.0012142500000000 ]- atom: 49 displacement: [ 0.0004120271249244, 0.0000000000000000, -0.0099915080767783 ] forces: - [ 0.0007422900000000, -0.0004866000000000, 0.0003348500000000 ] - [ 0.0000575800000000, 0.0005319900000000, 0.0001063200000000 ] - [ 0.0003931300000000, 0.0005024400000000, 0.0009868200000000 ] - [ 0.0002522300000000, -0.0003726700000000, 0.0013109600000000 ] - [ -0.0003457800000000, -0.0002417100000000, -0.0012908400000000 ] - [ -0.0020026900000000, 0.0003035600000000, -0.0027881000000000 ] - [ -0.0003593300000000, 0.0069473100000000, -0.0173907400000000 ] - [ 0.0009423700000000, 0.0026751500000000, -0.0021477300000000 ] - [ -0.0002581100000000, -0.0005780400000000, 0.0006917800000000 ] - [ -0.0006853200000000, 0.0000923200000000, 0.0050531500000000 ] - [ -0.0011263800000000, 0.0007824900000000, 0.0002009000000000 ] - [ -0.0005268700000000, -0.0005907400000000, -0.0003070100000000 ] - [ -0.0002554200000000, 0.0007899400000000, 0.0032522600000000 ] - [ 0.0000765200000000, -0.0003532700000000, 0.0012443000000000 ] - [ 0.0002804000000000, 0.0014877600000000, -0.0001705400000000 ] - [ 0.0037928400000000, -0.0053865700000000, 0.0056573800000000 ] - [ -0.0002592000000000, -0.0002176000000000, 0.0025719200000000 ] - [ -0.0001514700000000, -0.0000277000000000, 0.0016894500000000 ] - [ -0.0000432100000000, 0.0004639600000000, -0.0016931600000000 ] - [ -0.0018835400000000, -0.0020177700000000, -0.0078882700000000 ] - [ 0.0002385900000000, -0.0001626100000000, 0.0018078500000000 ] - [ 0.0002192700000000, -0.0001329400000000, 0.0027721100000000 ] - [ 0.0038479800000000, 0.0018688600000000, -0.0062094500000000 ] - [ 0.0003744300000000, -0.0007632200000000, -0.0017239200000000 ] - [ 0.0002122800000000, 0.0000186700000000, 0.0007477000000000 ] - [ 0.0002547900000000, 0.0002248800000000, 0.0010958500000000 ] - [ 0.0002574700000000, 0.0003304500000000, -0.0009096200000000 ] - [ 0.0009534200000000, -0.0003852800000000, -0.0002923800000000 ] - [ 0.0020924500000000, -0.0027098300000000, -0.0154068900000000 ] - [ -0.0005524600000000, -0.0011416700000000, 0.0000642400000000 ] - [ -0.0003655000000000, -0.0005290700000000, 0.0027823600000000 ] - [ -0.0001210800000000, 0.0002752200000000, 0.0014873800000000 ] - [ 0.0014335400000000, 0.0002325800000000, -0.0040203300000000 ] - [ 0.0180233800000000, -0.0266395600000000, -0.0437030100000000 ] - [ 0.0005879300000000, -0.0006220500000000, -0.0002101900000000 ] - [ 0.0025684200000000, 0.0031568400000000, 0.0014883600000000 ] - [ 0.0048164900000000, 0.0008010500000000, 0.0023473400000000 ] - [ 0.0001522100000000, -0.0002134500000000, 0.0003634600000000 ] - [ -0.0001798900000000, 0.0003770700000000, 0.0022444000000000 ] - [ -0.0001395500000000, -0.0000047500000000, 0.0035019800000000 ] - [ -0.0013763900000000, 0.0000386900000000, -0.0035376000000000 ] - [ 0.0000493000000000, -0.0001498700000000, -0.0012351300000000 ] - [ -0.0008574700000000, 0.0011598000000000, -0.0002573200000000 ] - [ -0.0042212700000000, -0.0049098900000000, 0.0027816400000000 ] - [ -0.0014241400000000, -0.0012388400000000, 0.0023532500000000 ] - [ -0.0012948900000000, 0.0021603600000000, 0.0002062000000000 ] - [ 0.0004770800000000, -0.0003534600000000, 0.0027790900000000 ] - [ 0.0002303000000000, -0.0004481500000000, 0.0023756400000000 ] - [ -0.0344768500000000, 0.0282726400000000, 0.0955993200000000 ] - [ -0.0000268300000000, 0.0001397000000000, 0.0018494300000000 ] - [ -0.0002523400000000, 0.0008896100000000, -0.0011893200000000 ] - [ -0.0001494300000000, -0.0012058600000000, -0.0013357100000000 ] - [ -0.0003735400000000, -0.0004321500000000, 0.0012373400000000 ] - [ -0.0002537200000000, -0.0000453800000000, 0.0005907600000000 ] - [ 0.0070621100000000, 0.0024655700000000, -0.0018337700000000 ] - [ 0.0014642900000000, -0.0014825400000000, 0.0007610400000000 ] - [ 0.0005345600000000, 0.0010222200000000, -0.0006962400000000 ] - [ 0.0010513100000000, -0.0006307000000000, -0.0006757200000000 ] - [ -0.0003186600000000, -0.0006084200000000, -0.0034848200000000 ] - [ 0.0005955100000000, 0.0000981900000000, -0.0015627700000000 ] - [ 0.0009587800000000, 0.0002260400000000, -0.0010238500000000 ] - [ 0.0005003900000000, 0.0001748200000000, -0.0002065100000000 ] - [ 0.0003734900000000, 0.0000064500000000, -0.0002250200000000 ] - [ 0.0014506900000000, 0.0007127600000000, -0.0030926200000000 ] - [ 0.0003549800000000, -0.0001385100000000, 0.0003958400000000 ] - [ 0.0092559200000000, 0.0067114600000000, -0.0133615200000000 ] - [ 0.0014740100000000, 0.0001729000000000, -0.0015480200000000 ] - [ 0.0006438000000000, -0.0014746500000000, -0.0008500500000000 ] - [ -0.0002028500000000, 0.0000226700000000, -0.0002099500000000 ] - [ -0.0013258800000000, 0.0004244900000000, -0.0007904500000000 ] - [ -0.0011332400000000, -0.0015436000000000, 0.0001956800000000 ] - [ 0.0001047900000000, 0.0002609100000000, -0.0001825400000000 ] - [ -0.0006614800000000, -0.0007140400000000, 0.0009818500000000 ] - [ -0.0103701800000000, 0.0055191700000000, 0.0059770700000000 ] - [ 0.0000657500000000, -0.0003869700000000, -0.0009005800000000 ] - [ 0.0001029400000000, -0.0003667200000000, -0.0012251500000000 ] - [ 0.0002481700000000, 0.0021720400000000, 0.0027749300000000 ] - [ 0.0104259300000000, -0.0172032900000000, -0.0059722900000000 ] - [ -0.0001916500000000, 0.0001934800000000, 0.0013649400000000 ] - [ -0.0003162500000000, -0.0001428400000000, 0.0004647600000000 ] - [ -0.0008291100000000, 0.0005610300000000, -0.0017016100000000 ] - [ -0.0005572000000000, 0.0004429500000000, -0.0010742600000000 ] - [ -0.0056312300000000, -0.0029993700000000, -0.0076717800000000 ] - [ 0.0001551400000000, 0.0007639900000000, 0.0002190700000000 ] - [ -0.0001141900000000, -0.0003123000000000, -0.0004021500000000 ] - [ -0.0007489800000000, -0.0008597400000000, -0.0009001300000000 ] - [ -0.0002096800000000, 0.0000445600000000, -0.0012851300000000 ] - [ -0.0001287100000000, -0.0000926700000000, -0.0011891400000000 ] - [ -0.0025126300000000, -0.0005720300000000, -0.0039145200000000 ] - [ -0.0002715600000000, 0.0003981900000000, -0.0001256200000000 ] - [ -0.0002452700000000, 0.0002434200000000, -0.0021839900000000 ] - [ -0.0001055700000000, 0.0006346900000000, -0.0019149500000000 ] - [ -0.0010836900000000, -0.0050028400000000, 0.0042206500000000 ] - [ -0.0015855000000000, 0.0111814300000000, 0.0066871100000000 ] - [ 0.0005528200000000, 0.0000154200000000, 0.0003484800000000 ] - [ 0.0022184900000000, 0.0016598300000000, 0.0003521900000000 ] - [ -0.0005482800000000, -0.0001687300000000, -0.0005624300000000 ] - [ -0.0008009600000000, 0.0004248500000000, -0.0021130900000000 ] - [ 0.0007609500000000, -0.0002265400000000, 0.0013872200000000 ] - [ -0.0001242100000000, 0.0009064900000000, 0.0015283900000000 ] - [ 0.0008310100000000, -0.0021117900000000, -0.0010029200000000 ] - [ 0.0001709400000000, 0.0019514300000000, -0.0007065600000000 ] - [ 0.0002297400000000, -0.0001976300000000, -0.0012877400000000 ] - [ 0.0001966500000000, 0.0001252200000000, -0.0012294100000000 ] - [ -0.0001194300000000, -0.0006105300000000, -0.0012307600000000 ] - [ -0.0000728300000000, -0.0006625800000000, -0.0022310500000000 ] - [ -0.0017995800000000, 0.0018935400000000, 0.0019036500000000 ] - [ -0.0024227600000000, -0.0029529200000000, 0.0011606100000000 ] - [ -0.0005691900000000, 0.0003626900000000, -0.0014467300000000 ] - [ -0.0005572700000000, 0.0003541100000000, -0.0020276000000000 ] - [ 0.0041634700000000, -0.0028491700000000, 0.0025958200000000 ] - [ 0.0002473400000000, 0.0000014400000000, 0.0008556600000000 ]- atom: 51 displacement: [ 0.0099999999631191, 0.0000000000000000, -0.0000008588465536 ] forces: - [ -0.0065354000000000, -0.0073875100000000, 0.0014927000000000 ] - [ -0.0011989900000000, 0.0050856400000000, 0.0000556900000000 ] - [ -0.0014459400000000, -0.0001075900000000, -0.0002332000000000 ] - [ -0.0004268600000000, 0.0001052800000000, -0.0002627000000000 ] - [ -0.0035520700000000, -0.0004726600000000, 0.0006222200000000 ] - [ -0.0007110300000000, 0.0003794900000000, -0.0005124000000000 ] - [ 0.0049916200000000, 0.0020841900000000, -0.0049371500000000 ] - [ 0.0009836100000000, 0.0002446500000000, 0.0002579000000000 ] - [ 0.0145765300000000, 0.0036676200000000, 0.0009381900000000 ] - [ 0.0006629600000000, 0.0017218200000000, -0.0006054800000000 ] - [ -0.0002365000000000, -0.0001740800000000, -0.0004151400000000 ] - [ -0.0002833300000000, 0.0001179900000000, -0.0003863200000000 ] - [ 0.0007428700000000, 0.0011161100000000, 0.0011130700000000 ] - [ 0.0008676900000000, -0.0004773600000000, 0.0011155300000000 ] - [ 0.0002886800000000, -0.0001328400000000, 0.0001578500000000 ] - [ 0.0001108800000000, 0.0000562900000000, -0.0002086500000000 ] - [ -0.0029579900000000, 0.0008508900000000, 0.0023187000000000 ] - [ -0.0018412000000000, -0.0010691000000000, 0.0006947900000000 ] - [ 0.0003345200000000, 0.0004975300000000, 0.0031802600000000 ] - [ 0.0004794100000000, 0.0000761700000000, 0.0005073000000000 ] - [ 0.0097046800000000, -0.0002041000000000, -0.0033956800000000 ] - [ 0.0010958100000000, -0.0004330200000000, 0.0001224000000000 ] - [ -0.0005424500000000, 0.0001948200000000, -0.0004417100000000 ] - [ -0.0003351700000000, -0.0000811500000000, 0.0001700300000000 ] - [ -0.0083582400000000, -0.0012865700000000, -0.0031220800000000 ] - [ -0.0007799300000000, 0.0005892800000000, 0.0002246400000000 ] - [ -0.0004442900000000, -0.0000919300000000, -0.0000909400000000 ] - [ -0.0000532900000000, -0.0000698700000000, -0.0001174500000000 ] - [ 0.0003197500000000, 0.0000518700000000, 0.0002893000000000 ] - [ 0.0001694900000000, 0.0002187000000000, 0.0002993000000000 ] - [ 0.0107643600000000, -0.0071134600000000, -0.0030933700000000 ] - [ 0.0021701400000000, -0.0011687500000000, -0.0007082500000000 ] - [ 0.0023303800000000, -0.0016469900000000, -0.0034100100000000 ] - [ 0.0000603200000000, 0.0003528000000000, 0.0002584500000000 ] - [ 0.0978389200000000, -0.0587604500000000, -0.0601836900000000 ] - [ 0.0002762900000000, 0.0004684900000000, -0.0007210100000000 ] - [ -0.0004658200000000, 0.0003556200000000, 0.0000367700000000 ] - [ -0.0003718100000000, -0.0000176200000000, -0.0002817200000000 ] - [ -0.0025923700000000, -0.0014569100000000, 0.0050216700000000 ] - [ -0.0005167000000000, 0.0007207900000000, 0.0010420500000000 ] - [ -0.0007529400000000, -0.0002998600000000, 0.0017229000000000 ] - [ -0.0001661500000000, 0.0010879300000000, 0.0021070900000000 ] - [ 0.0004161800000000, -0.0011682700000000, -0.0011506800000000 ] - [ 0.0000762600000000, -0.0003179300000000, -0.0009036800000000 ] - [ -0.0074979400000000, 0.0000903100000000, -0.0049010700000000 ] - [ -0.0012382000000000, -0.0007479900000000, -0.0010313200000000 ] - [ -0.0022420000000000, -0.0009302500000000, -0.0010521700000000 ] - [ -0.0003733800000000, 0.0011905200000000, -0.0001943600000000 ] - [ -0.0000366900000000, -0.0005766100000000, 0.0004927500000000 ] - [ -0.0011015400000000, 0.0004680700000000, 0.0003436900000000 ] - [ -0.1682933400000000, 0.0966820800000000, 0.0885283600000000 ] - [ -0.0005411100000000, -0.0003214100000000, 0.0003632900000000 ] - [ 0.0002835200000000, 0.0000371600000000, -0.0003933000000000 ] - [ 0.0002833900000000, -0.0001216200000000, -0.0006128100000000 ] - [ 0.0019530200000000, -0.0006555900000000, 0.0014814500000000 ] - [ 0.0011899100000000, 0.0004047100000000, -0.0002274900000000 ] - [ 0.0051222200000000, 0.0012165700000000, 0.0003460400000000 ] - [ 0.0006830100000000, -0.0000542000000000, 0.0000426200000000 ] - [ 0.0014517300000000, -0.0002482100000000, -0.0014737900000000 ] - [ 0.0010670800000000, 0.0001622900000000, -0.0008036600000000 ] - [ 0.0042219400000000, -0.0012145800000000, 0.0001608600000000 ] - [ 0.0060349100000000, 0.0010620200000000, 0.0001257400000000 ] - [ -0.0010019400000000, -0.0000334700000000, 0.0027458300000000 ] - [ -0.0002542400000000, 0.0002510900000000, 0.0010537400000000 ] - [ -0.0004310900000000, 0.0001150600000000, 0.0000816500000000 ] - [ -0.0000446200000000, 0.0000701100000000, 0.0001397000000000 ] - [ 0.0164072600000000, -0.0116038800000000, 0.0032881000000000 ] - [ 0.0009035600000000, 0.0007194900000000, 0.0009100600000000 ] - [ 0.0002854800000000, 0.0000551600000000, -0.0000175900000000 ] - [ 0.0001811300000000, -0.0001569900000000, -0.0001028000000000 ] - [ 0.0006493400000000, -0.0003847500000000, 0.0000532900000000 ] - [ 0.0004602000000000, -0.0004332500000000, 0.0001017300000000 ] - [ 0.0000744000000000, 0.0000207800000000, 0.0008546000000000 ] - [ -0.0003009600000000, -0.0005486400000000, -0.0002096600000000 ] - [ 0.0017145600000000, -0.0010892600000000, 0.0016544500000000 ] - [ 0.0012322900000000, 0.0004309700000000, 0.0000190000000000 ] - [ 0.0003225500000000, 0.0008246900000000, 0.0081269700000000 ] - [ -0.0008916800000000, -0.0003060000000000, 0.0009276000000000 ] - [ 0.0006243200000000, 0.0004991900000000, -0.0015870900000000 ] - [ 0.0005471300000000, -0.0014259800000000, -0.0023519900000000 ] - [ 0.0003758900000000, 0.0049882800000000, 0.0042243300000000 ] - [ -0.0010470200000000, -0.0008959200000000, 0.0007777400000000 ] - [ 0.0004961600000000, 0.0003033200000000, 0.0002301500000000 ] - [ 0.0004551100000000, 0.0004872900000000, 0.0002333700000000 ] - [ 0.0344748300000000, -0.0224564100000000, -0.0039072300000000 ] - [ 0.0002429500000000, -0.0003902100000000, -0.0000063600000000 ] - [ 0.0023306900000000, 0.0013076000000000, 0.0010833300000000 ] - [ 0.0007042800000000, -0.0003404600000000, -0.0000576800000000 ] - [ -0.0030388600000000, 0.0008362900000000, -0.0000032500000000 ] - [ -0.0089936000000000, -0.0019822700000000, -0.0007599100000000 ] - [ 0.0002375200000000, 0.0002515900000000, 0.0001937100000000 ] - [ -0.0000694500000000, -0.0001241200000000, -0.0002413400000000 ] - [ -0.0015955600000000, 0.0004544100000000, 0.0005930200000000 ] - [ -0.0004493700000000, 0.0002114300000000, -0.0001478300000000 ] - [ 0.0004127800000000, 0.0006333900000000, -0.0000669000000000 ] - [ 0.0002426700000000, 0.0004588900000000, 0.0001253000000000 ] - [ -0.0001136500000000, 0.0005331800000000, -0.0014881700000000 ] - [ -0.0004230900000000, -0.0002508600000000, 0.0001897100000000 ] - [ 0.0010803800000000, 0.0005556700000000, -0.0005308100000000 ] - [ 0.0004907300000000, -0.0001372600000000, -0.0003492100000000 ] - [ -0.0007022000000000, 0.0000090400000000, -0.0001250900000000 ] - [ -0.0004225900000000, -0.0002530000000000, 0.0000007000000000 ] - [ 0.0011042100000000, -0.0017315800000000, -0.0088990000000000 ] - [ -0.0002967400000000, 0.0002686300000000, -0.0001291200000000 ] - [ 0.0000630400000000, 0.0036062400000000, -0.0051655300000000 ] - [ -0.0007196500000000, -0.0017371800000000, -0.0009149200000000 ] - [ -0.0025630600000000, -0.0035202600000000, -0.0163367400000000 ] - [ -0.0000393100000000, -0.0005374500000000, 0.0006885100000000 ] - [ 0.0024899800000000, 0.0005497200000000, -0.0027229900000000 ] - [ 0.0000211800000000, 0.0001425900000000, -0.0006114400000000 ] - [ -0.0003844300000000, 0.0000316300000000, -0.0007581500000000 ] - [ -0.0005009400000000, -0.0008257600000000, -0.0005681000000000 ]- atom: 51 displacement: [ -0.0099999999631191, 0.0000000000000000, 0.0000008588465536 ] forces: - [ 0.0062315500000000, 0.0073842600000000, -0.0021178500000000 ] - [ 0.0009027400000000, -0.0050313400000000, -0.0006729000000000 ] - [ 0.0017891300000000, 0.0001998800000000, 0.0001125900000000 ] - [ 0.0007675400000000, -0.0000089300000000, 0.0001487500000000 ] - [ 0.0039080500000000, 0.0003796200000000, -0.0007034400000000 ] - [ 0.0010541900000000, -0.0004756700000000, 0.0004056200000000 ] - [ -0.0054026900000000, -0.0021602500000000, 0.0049985100000000 ] - [ -0.0013491400000000, -0.0003531500000000, -0.0001636700000000 ] - [ -0.0156707900000000, -0.0041829100000000, -0.0017626100000000 ] - [ -0.0005444000000000, -0.0016307300000000, -0.0000454900000000 ] - [ -0.0000961300000000, 0.0001389300000000, -0.0002160300000000 ] - [ -0.0000505400000000, -0.0001528400000000, -0.0002445200000000 ] - [ -0.0010878800000000, -0.0010175200000000, -0.0009941500000000 ] - [ -0.0012102800000000, 0.0005709600000000, -0.0010042300000000 ] - [ -0.0001544200000000, 0.0000384700000000, -0.0008074300000000 ] - [ 0.0000250800000000, -0.0001503800000000, -0.0004459000000000 ] - [ 0.0028208800000000, -0.0009530400000000, -0.0016855300000000 ] - [ 0.0017021200000000, 0.0009886800000000, -0.0000618100000000 ] - [ -0.0000006700000000, -0.0004705100000000, -0.0025788800000000 ] - [ -0.0001425600000000, -0.0000391500000000, 0.0001204500000000 ] - [ -0.0092832000000000, 0.0000822500000000, 0.0041923400000000 ] - [ -0.0007601800000000, 0.0004062300000000, 0.0005144900000000 ] - [ 0.0004054200000000, -0.0001028100000000, 0.0011009000000000 ] - [ 0.0001953500000000, 0.0001779800000000, 0.0004870300000000 ] - [ 0.0088070100000000, 0.0014721400000000, 0.0026592800000000 ] - [ 0.0012351000000000, -0.0003869600000000, -0.0006686200000000 ] - [ 0.0008949300000000, -0.0001238800000000, -0.0003418400000000 ] - [ 0.0005000600000000, -0.0001372100000000, -0.0003174500000000 ] - [ -0.0007716100000000, 0.0001609600000000, 0.0001449600000000 ] - [ -0.0006207100000000, -0.0000091800000000, 0.0001351000000000 ] - [ -0.0111632600000000, 0.0070055400000000, 0.0035789600000000 ] - [ -0.0026386800000000, 0.0009509000000000, 0.0011643600000000 ] - [ -0.0025469200000000, 0.0013714300000000, 0.0045694000000000 ] - [ -0.0002612000000000, -0.0006409600000000, 0.0008697400000000 ] - [ -0.0965647900000000, 0.0564856300000000, 0.0555578500000000 ] - [ -0.0006651600000000, 0.0002994400000000, -0.0009675500000000 ] - [ 0.0006600100000000, -0.0000710500000000, -0.0011676100000000 ] - [ 0.0005637600000000, 0.0003054600000000, -0.0008466700000000 ] - [ 0.0023569000000000, 0.0017343300000000, -0.0039266000000000 ] - [ 0.0003146900000000, -0.0004319800000000, 0.0000887800000000 ] - [ 0.0011823200000000, 0.0010530100000000, -0.0000299000000000 ] - [ 0.0005892400000000, -0.0003427000000000, -0.0004153200000000 ] - [ -0.0008330100000000, 0.0004254200000000, -0.0005402800000000 ] - [ -0.0004916600000000, -0.0004259900000000, -0.0007898400000000 ] - [ 0.0077046500000000, -0.0003977400000000, 0.0037953500000000 ] - [ 0.0014224500000000, 0.0005033900000000, -0.0000744900000000 ] - [ 0.0026925200000000, 0.0001733600000000, 0.0027487700000000 ] - [ 0.0008035400000000, -0.0019289500000000, 0.0018825800000000 ] - [ 0.0003400000000000, 0.0005638100000000, -0.0004714300000000 ] - [ 0.0014144300000000, -0.0004877200000000, -0.0003250200000000 ] - [ 0.1680516200000000, -0.0931619900000000, -0.0852143300000000 ] - [ 0.0010373400000000, 0.0000650500000000, 0.0000126100000000 ] - [ -0.0007775800000000, -0.0002940900000000, 0.0000077900000000 ] - [ -0.0007768200000000, -0.0001340500000000, 0.0002248900000000 ] - [ -0.0007352800000000, 0.0007286400000000, -0.0026109900000000 ] - [ 0.0000326200000000, -0.0003497700000000, -0.0008980200000000 ] - [ -0.0054374800000000, -0.0012110100000000, -0.0003755200000000 ] - [ -0.0009847000000000, 0.0000313800000000, -0.0000643400000000 ] - [ -0.0002313900000000, 0.0001863000000000, 0.0003705100000000 ] - [ 0.0001518700000000, -0.0002287600000000, -0.0003011300000000 ] - [ -0.0038039000000000, 0.0021214700000000, 0.0001410500000000 ] - [ -0.0056191900000000, -0.0002190300000000, 0.0001697200000000 ] - [ 0.0014808800000000, 0.0006181400000000, -0.0011607200000000 ] - [ 0.0007325900000000, 0.0003315200000000, 0.0005326200000000 ] - [ 0.0009242300000000, 0.0001411000000000, 0.0003071500000000 ] - [ 0.0005356800000000, 0.0001853700000000, 0.0002466300000000 ] - [ -0.0156649400000000, 0.0110699500000000, -0.0025500100000000 ] - [ 0.0000386400000000, -0.0014748000000000, -0.0001522600000000 ] - [ -0.0005862200000000, -0.0000436800000000, -0.0000001300000000 ] - [ -0.0004821500000000, 0.0001703600000000, 0.0000839200000000 ] - [ -0.0002111900000000, -0.0005003100000000, 0.0002464800000000 ] - [ -0.0000219600000000, -0.0004542800000000, 0.0001987300000000 ] - [ -0.0009956500000000, -0.0007546100000000, -0.0016233600000000 ] - [ -0.0006172000000000, -0.0001830400000000, -0.0005483700000000 ] - [ -0.0014830600000000, 0.0004247900000000, -0.0019272700000000 ] - [ -0.0010027500000000, -0.0010953200000000, -0.0003048000000000 ] - [ -0.0015338000000000, -0.0007564100000000, -0.0070926600000000 ] - [ -0.0003182100000000, 0.0003722700000000, 0.0001797400000000 ] - [ -0.0011126700000000, -0.0010848500000000, -0.0000067100000000 ] - [ -0.0010409600000000, 0.0008424700000000, 0.0007566100000000 ] - [ -0.0010361200000000, -0.0039777100000000, -0.0045940000000000 ] - [ 0.0004176400000000, 0.0019146800000000, -0.0011395600000000 ] - [ 0.0004221600000000, 0.0004296000000000, 0.0005253100000000 ] - [ 0.0004677400000000, 0.0002441100000000, 0.0005246200000000 ] - [ -0.0332601700000000, 0.0210117900000000, 0.0041826300000000 ] - [ 0.0003555100000000, -0.0006297800000000, 0.0003597500000000 ] - [ -0.0028365300000000, -0.0010413700000000, -0.0014564000000000 ] - [ -0.0012018400000000, 0.0005909400000000, -0.0003218100000000 ] - [ 0.0027862500000000, -0.0002472800000000, 0.0003091400000000 ] - [ 0.0086944400000000, 0.0028152200000000, 0.0011108900000000 ] - [ -0.0007234500000000, 0.0003350300000000, -0.0017838600000000 ] - [ -0.0004120000000000, 0.0007062700000000, -0.0013455700000000 ] - [ 0.0011686300000000, 0.0004368800000000, -0.0008999800000000 ] - [ 0.0000140200000000, 0.0006767600000000, -0.0001506600000000 ] - [ 0.0002007500000000, 0.0003823300000000, 0.0004253200000000 ] - [ 0.0003708600000000, 0.0005561400000000, 0.0002304600000000 ] - [ -0.0010984400000000, -0.0005978200000000, 0.0026028200000000 ] - [ -0.0007923800000000, 0.0001861000000000, 0.0009192400000000 ] - [ -0.0008511000000000, 0.0001089300000000, 0.0002443700000000 ] - [ -0.0002514300000000, 0.0007977500000000, 0.0000605000000000 ] - [ 0.0004604400000000, -0.0006705300000000, 0.0004118100000000 ] - [ 0.0001804600000000, -0.0004098400000000, 0.0002864700000000 ] - [ -0.0007529000000000, 0.0017651300000000, 0.0089503300000000 ] - [ 0.0006012100000000, -0.0002576900000000, 0.0001488500000000 ] - [ -0.0004565600000000, -0.0045050300000000, 0.0048818700000000 ] - [ 0.0002883200000000, 0.0008498300000000, 0.0006165800000000 ] - [ 0.0029060600000000, 0.0029445800000000, 0.0179668600000000 ] - [ 0.0005103300000000, -0.0000499400000000, 0.0009062900000000 ] - [ -0.0034077400000000, 0.0001887600000000, 0.0020098500000000 ] - [ -0.0009316800000000, 0.0005865600000000, -0.0001364800000000 ] - [ -0.0002353200000000, -0.0010515400000000, 0.0004063600000000 ] - [ -0.0001193200000000, -0.0001902100000000, 0.0002113600000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0079308600000000, -0.0000621500000000, 0.0020156400000000 ] - [ 0.0036540200000000, -0.0039770000000000, 0.0004732700000000 ] - [ 0.0001240300000000, 0.0011619900000000, 0.0000868500000000 ] - [ 0.0001691500000000, -0.0009709900000000, -0.0003425900000000 ] - [ 0.0008143200000000, 0.0009813200000000, -0.0009683200000000 ] - [ 0.0001630000000000, -0.0012640700000000, 0.0003550900000000 ] - [ 0.0021014900000000, 0.0008465700000000, 0.0099616400000000 ] - [ -0.0026331700000000, -0.0047515200000000, -0.0038502900000000 ] - [ 0.0061626700000000, 0.0125478200000000, 0.0010311300000000 ] - [ 0.0010811100000000, -0.0034753900000000, -0.0000401600000000 ] - [ -0.0001392800000000, 0.0000821700000000, -0.0008847900000000 ] - [ -0.0001647900000000, -0.0001958000000000, -0.0003543900000000 ] - [ 0.0001274900000000, -0.0003630400000000, -0.0016034200000000 ] - [ -0.0001925200000000, -0.0006150000000000, 0.0010707300000000 ] - [ 0.0000153700000000, 0.0004134200000000, -0.0005667500000000 ] - [ 0.0001113200000000, -0.0004980100000000, -0.0005393300000000 ] - [ 0.0012460300000000, 0.0003202500000000, -0.0011930900000000 ] - [ -0.0006215200000000, -0.0009914800000000, 0.0012391100000000 ] - [ 0.0002870800000000, 0.0005133300000000, -0.0009282100000000 ] - [ -0.0000078200000000, -0.0006488900000000, 0.0005491000000000 ] - [ -0.0017833500000000, 0.0077412200000000, 0.0018181500000000 ] - [ 0.0001914800000000, -0.0032932100000000, -0.0000883200000000 ] - [ 0.0000462900000000, 0.0004825200000000, 0.0006722400000000 ] - [ -0.0001336600000000, -0.0003489600000000, -0.0002161800000000 ] - [ 0.0023660000000000, 0.0021348000000000, 0.0015929300000000 ] - [ -0.0000871900000000, -0.0015473300000000, -0.0001800100000000 ] - [ 0.0002170500000000, 0.0002728800000000, -0.0004885500000000 ] - [ 0.0003014800000000, -0.0004751900000000, -0.0003620900000000 ] - [ -0.0003491400000000, 0.0004057200000000, 0.0003024100000000 ] - [ -0.0002233600000000, -0.0001746100000000, -0.0002410300000000 ] - [ -0.0055924500000000, 0.0320928500000000, 0.0120351100000000 ] - [ -0.0021144000000000, -0.0055051900000000, 0.0045454800000000 ] - [ -0.0004151700000000, 0.0011318600000000, -0.0005173500000000 ] - [ 0.0001753800000000, -0.0017362500000000, 0.0006802500000000 ] - [ -0.0587791900000000, 0.1019585400000000, 0.0589569900000000 ] - [ -0.0027628700000000, -0.0082716600000000, -0.0007626400000000 ] - [ 0.0002010900000000, 0.0001628800000000, -0.0012353700000000 ] - [ 0.0000053100000000, 0.0000880700000000, -0.0004693800000000 ] - [ 0.0003039100000000, 0.0080021400000000, 0.0023515900000000 ] - [ 0.0004844800000000, -0.0024381800000000, -0.0002147000000000 ] - [ 0.0002928200000000, 0.0016232700000000, 0.0015138500000000 ] - [ 0.0004047400000000, -0.0008065900000000, -0.0007158300000000 ] - [ -0.0002493800000000, 0.0007929500000000, -0.0004936300000000 ] - [ -0.0002532000000000, -0.0012433300000000, -0.0015784400000000 ] - [ 0.0050587300000000, 0.0016689100000000, 0.0033602600000000 ] - [ -0.0007536200000000, -0.0016653200000000, -0.0016325200000000 ] - [ -0.0055838600000000, 0.0010407000000000, -0.0018739600000000 ] - [ 0.0017237900000000, -0.0011091800000000, 0.0022192600000000 ] - [ -0.0002152100000000, 0.0012056600000000, -0.0010245400000000 ] - [ 0.0006021800000000, -0.0006060700000000, 0.0011167900000000 ] - [ 0.0940947900000000, -0.1924782600000000, -0.1048465300000000 ] - [ 0.0000387300000000, 0.0053759300000000, 0.0005242400000000 ] - [ -0.0002415300000000, -0.0001588800000000, -0.0004018800000000 ] - [ -0.0003992400000000, -0.0001537500000000, 0.0004238000000000 ] - [ -0.0002772700000000, -0.0000289300000000, -0.0022437800000000 ] - [ 0.0008810300000000, 0.0003055000000000, 0.0001112300000000 ] - [ -0.0018134700000000, -0.0030172100000000, -0.0003966500000000 ] - [ 0.0001161700000000, 0.0016627600000000, 0.0000799400000000 ] - [ 0.0003263400000000, -0.0002982000000000, 0.0002511400000000 ] - [ 0.0006511600000000, 0.0003022900000000, -0.0008865800000000 ] - [ -0.0015133300000000, 0.0018600600000000, -0.0002973600000000 ] - [ -0.0001456900000000, 0.0012462200000000, 0.0002865500000000 ] - [ 0.0004559200000000, -0.0000257500000000, -0.0004158500000000 ] - [ 0.0002629500000000, 0.0010897100000000, 0.0017311900000000 ] - [ 0.0002496300000000, -0.0001695500000000, 0.0002504500000000 ] - [ 0.0002915100000000, 0.0003653300000000, 0.0003935100000000 ] - [ -0.0145365500000000, 0.0035224600000000, -0.0020922900000000 ] - [ 0.0021247400000000, 0.0017672500000000, 0.0001693500000000 ] - [ -0.0001780700000000, -0.0001380700000000, 0.0000654300000000 ] - [ -0.0001691400000000, 0.0002032300000000, 0.0002031500000000 ] - [ 0.0001681700000000, -0.0008254500000000, 0.0004583700000000 ] - [ 0.0002280400000000, -0.0001414800000000, 0.0001884700000000 ] - [ -0.0003116200000000, -0.0007048400000000, 0.0000313500000000 ] - [ -0.0005825000000000, 0.0000683300000000, -0.0004450600000000 ] - [ -0.0006261500000000, -0.0004980800000000, -0.0011170300000000 ] - [ 0.0019416900000000, 0.0009626900000000, 0.0004458600000000 ] - [ -0.0003059100000000, -0.0023456200000000, 0.0018803100000000 ] - [ -0.0004878800000000, 0.0016841600000000, 0.0002399500000000 ] - [ 0.0001490300000000, -0.0005489300000000, -0.0021603100000000 ] - [ -0.0013004000000000, 0.0002187700000000, 0.0010139400000000 ] - [ 0.0066840600000000, 0.0057545200000000, 0.0078493700000000 ] - [ -0.0016192900000000, 0.0020059300000000, -0.0023040300000000 ] - [ 0.0004535600000000, 0.0003068100000000, 0.0005817600000000 ] - [ 0.0005319300000000, 0.0004401900000000, 0.0005149900000000 ] - [ -0.0157778600000000, -0.0035529900000000, 0.0013599700000000 ] - [ 0.0014663800000000, 0.0020275300000000, 0.0003222900000000 ] - [ 0.0009428400000000, -0.0018193200000000, -0.0004639200000000 ] - [ -0.0006995200000000, 0.0012741300000000, -0.0005989900000000 ] - [ 0.0025301100000000, 0.0159114200000000, -0.0045211000000000 ] - [ -0.0074769200000000, 0.0335444700000000, 0.0164992100000000 ] - [ 0.0006677700000000, -0.0007346600000000, 0.0007269600000000 ] - [ -0.0005495900000000, 0.0009401100000000, -0.0015557700000000 ] - [ -0.0003755200000000, -0.0006161500000000, -0.0001145600000000 ] - [ -0.0000573200000000, 0.0014455200000000, 0.0002338700000000 ] - [ 0.0002428600000000, 0.0000959200000000, 0.0002213700000000 ] - [ 0.0004314500000000, 0.0008812900000000, 0.0004167800000000 ] - [ -0.0005295200000000, -0.0016428200000000, -0.0000109300000000 ] - [ -0.0009063700000000, 0.0006144600000000, 0.0010884200000000 ] - [ 0.0000460000000000, -0.0004444800000000, 0.0000368100000000 ] - [ -0.0000268200000000, 0.0011592000000000, 0.0000674100000000 ] - [ 0.0000258800000000, -0.0009732800000000, 0.0004434900000000 ] - [ -0.0002209300000000, 0.0002843100000000, 0.0002418100000000 ] - [ -0.0035945100000000, -0.0033215100000000, 0.0064061600000000 ] - [ 0.0003497700000000, 0.0018860400000000, -0.0002359000000000 ] - [ 0.0042119400000000, 0.0000796900000000, -0.0064861100000000 ] - [ -0.0015160300000000, 0.0022248800000000, 0.0015329300000000 ] - [ -0.0004236100000000, -0.0097520500000000, 0.0015453100000000 ] - [ 0.0003558700000000, 0.0035234200000000, -0.0003444100000000 ] - [ -0.0003633300000000, -0.0018539400000000, -0.0012589500000000 ] - [ -0.0007787500000000, 0.0016519200000000, -0.0003897200000000 ] - [ -0.0002868100000000, -0.0010016300000000, -0.0001748000000000 ] - [ -0.0002746400000000, -0.0000780500000000, 0.0003434000000000 ]- atom: 51 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0075586100000000, 0.0001307300000000, -0.0026310800000000 ] - [ -0.0040195600000000, 0.0039891600000000, -0.0011100200000000 ] - [ 0.0002143100000000, -0.0010636800000000, -0.0001969900000000 ] - [ 0.0001683100000000, 0.0010634700000000, 0.0002275000000000 ] - [ -0.0004694500000000, -0.0010795200000000, 0.0008519600000000 ] - [ 0.0001752600000000, 0.0011717700000000, -0.0004630700000000 ] - [ -0.0024513700000000, -0.0008474600000000, -0.0098498700000000 ] - [ 0.0023143700000000, 0.0046606500000000, 0.0039860000000000 ] - [ -0.0062550300000000, -0.0124609000000000, -0.0016942800000000 ] - [ -0.0009243700000000, 0.0035640700000000, -0.0006144000000000 ] - [ -0.0001949100000000, -0.0001123400000000, 0.0002492500000000 ] - [ -0.0001698500000000, 0.0001577700000000, -0.0002786000000000 ] - [ -0.0004636200000000, 0.0004671000000000, 0.0017124700000000 ] - [ -0.0001498000000000, 0.0007007800000000, -0.0009604700000000 ] - [ 0.0001206000000000, -0.0005079000000000, -0.0000865900000000 ] - [ 0.0000280400000000, 0.0004026600000000, -0.0001120200000000 ] - [ -0.0013833200000000, -0.0004058800000000, 0.0018385900000000 ] - [ 0.0004866300000000, 0.0008909300000000, -0.0005871300000000 ] - [ 0.0000486400000000, -0.0004922300000000, 0.0015246100000000 ] - [ 0.0003395500000000, 0.0006890500000000, 0.0000939400000000 ] - [ 0.0021448300000000, -0.0077680700000000, -0.0011206000000000 ] - [ 0.0001412600000000, 0.0032494300000000, 0.0007071800000000 ] - [ -0.0001831600000000, -0.0003808200000000, -0.0000201100000000 ] - [ -0.0000043900000000, 0.0004389700000000, 0.0008694200000000 ] - [ -0.0018917100000000, -0.0019221000000000, -0.0020159300000000 ] - [ 0.0005359100000000, 0.0017449100000000, -0.0002621800000000 ] - [ 0.0002358100000000, -0.0004841400000000, 0.0000502400000000 ] - [ 0.0001510100000000, 0.0002680000000000, -0.0000743300000000 ] - [ -0.0001060500000000, -0.0001875400000000, 0.0001326900000000 ] - [ -0.0002293100000000, 0.0003797700000000, 0.0006792100000000 ] - [ 0.0044961700000000, -0.0301990500000000, -0.0103851700000000 ] - [ 0.0016810100000000, 0.0053085600000000, -0.0041390100000000 ] - [ 0.0002199200000000, -0.0014319300000000, 0.0016269600000000 ] - [ -0.0003644000000000, 0.0014539600000000, 0.0004575200000000 ] - [ 0.0613930600000000, -0.1030345000000000, -0.0636722900000000 ] - [ 0.0023209900000000, 0.0089952500000000, -0.0009380800000000 ] - [ -0.0000082900000000, 0.0001276400000000, 0.0001047200000000 ] - [ 0.0001875400000000, 0.0001957200000000, -0.0006598600000000 ] - [ -0.0005121200000000, -0.0077286400000000, -0.0012087500000000 ] - [ -0.0006736300000000, 0.0027171500000000, 0.0013361200000000 ] - [ 0.0001317300000000, -0.0008550900000000, 0.0001850200000000 ] - [ 0.0000074400000000, 0.0015441400000000, 0.0024112500000000 ] - [ -0.0001659300000000, -0.0015304100000000, -0.0011981600000000 ] - [ -0.0001616000000000, 0.0004953800000000, -0.0001219800000000 ] - [ -0.0048687000000000, -0.0019421800000000, -0.0044816700000000 ] - [ 0.0009568600000000, 0.0013618800000000, 0.0005043800000000 ] - [ 0.0059782700000000, -0.0017745600000000, 0.0035604100000000 ] - [ -0.0013143000000000, 0.0003488300000000, -0.0005248300000000 ] - [ 0.0005166100000000, -0.0012186700000000, 0.0010381900000000 ] - [ -0.0002997800000000, 0.0006129600000000, -0.0010987600000000 ] - [ -0.0957259300000000, 0.1919838000000000, 0.1071162600000000 ] - [ 0.0004447100000000, -0.0056153500000000, -0.0001219400000000 ] - [ -0.0002476900000000, -0.0000961200000000, 0.0000136900000000 ] - [ -0.0000880200000000, -0.0000918100000000, -0.0008127800000000 ] - [ 0.0014918600000000, 0.0000887700000000, 0.0011253700000000 ] - [ 0.0003305300000000, -0.0002307500000000, -0.0012252000000000 ] - [ 0.0015023500000000, 0.0029922000000000, 0.0003718800000000 ] - [ -0.0004175400000000, -0.0016654800000000, -0.0001022000000000 ] - [ 0.0008908700000000, 0.0002313000000000, -0.0013608500000000 ] - [ 0.0005642200000000, -0.0003640800000000, -0.0002234700000000 ] - [ 0.0019455000000000, -0.0009677100000000, 0.0005944100000000 ] - [ 0.0005723300000000, -0.0003385800000000, 0.0000159800000000 ] - [ 0.0000301700000000, 0.0006128100000000, 0.0019948200000000 ] - [ 0.0002179000000000, -0.0005013200000000, -0.0001261900000000 ] - [ 0.0002423500000000, 0.0004246100000000, 0.0001399200000000 ] - [ 0.0001957300000000, -0.0001162400000000, -0.0000059600000000 ] - [ 0.0153602600000000, -0.0042505900000000, 0.0028413400000000 ] - [ -0.0012112100000000, -0.0024951100000000, 0.0005929200000000 ] - [ -0.0001251500000000, 0.0001514100000000, -0.0000856000000000 ] - [ -0.0001330100000000, -0.0001936300000000, -0.0002233800000000 ] - [ 0.0002615500000000, -0.0000680400000000, -0.0001563600000000 ] - [ 0.0002041700000000, -0.0007452500000000, 0.0001102700000000 ] - [ -0.0006133900000000, -0.0000255500000000, -0.0007830600000000 ] - [ -0.0003494400000000, -0.0008050900000000, -0.0003186100000000 ] - [ 0.0008616200000000, -0.0001566500000000, 0.0008284300000000 ] - [ -0.0016918300000000, -0.0016227000000000, -0.0007241000000000 ] - [ -0.0008912500000000, 0.0024177200000000, -0.0007418700000000 ] - [ -0.0007370800000000, -0.0016206000000000, 0.0008684500000000 ] - [ -0.0006298400000000, -0.0000490000000000, 0.0005488900000000 ] - [ 0.0008235100000000, -0.0007871700000000, -0.0026099200000000 ] - [ -0.0072624700000000, -0.0047027300000000, -0.0081352600000000 ] - [ 0.0010019300000000, -0.0009746300000000, 0.0019553000000000 ] - [ 0.0004733700000000, 0.0004260500000000, 0.0001768900000000 ] - [ 0.0003947300000000, 0.0002982600000000, 0.0002432800000000 ] - [ 0.0163902500000000, 0.0026686400000000, -0.0010178000000000 ] - [ -0.0008253500000000, -0.0030368800000000, 0.0000421600000000 ] - [ -0.0014256600000000, 0.0020569000000000, 0.0000759600000000 ] - [ 0.0002130200000000, -0.0010168600000000, 0.0002155100000000 ] - [ -0.0027521700000000, -0.0150558400000000, 0.0047293800000000 ] - [ 0.0073735000000000, -0.0335138700000000, -0.0165546200000000 ] - [ -0.0011452500000000, 0.0013137100000000, -0.0023143000000000 ] - [ 0.0000689300000000, -0.0003477600000000, -0.0000423500000000 ] - [ -0.0000506000000000, 0.0015009300000000, -0.0001777200000000 ] - [ -0.0003734900000000, -0.0005516900000000, -0.0005427700000000 ] - [ 0.0003785900000000, 0.0009212600000000, 0.0001408400000000 ] - [ 0.0001942400000000, 0.0001377100000000, -0.0000588300000000 ] - [ -0.0006866700000000, 0.0015804800000000, 0.0011255100000000 ] - [ -0.0003104400000000, -0.0006776400000000, 0.0000263100000000 ] - [ 0.0001846600000000, 0.0011026800000000, -0.0003146500000000 ] - [ 0.0002671300000000, -0.0004913800000000, -0.0003522800000000 ] - [ -0.0002645800000000, 0.0003046200000000, -0.0001591400000000 ] - [ -0.0000187900000000, -0.0009447200000000, 0.0000413800000000 ] - [ 0.0039043700000000, 0.0033002800000000, -0.0063958500000000 ] - [ -0.0000490800000000, -0.0018676400000000, 0.0002622200000000 ] - [ -0.0046657500000000, -0.0009644600000000, 0.0062163900000000 ] - [ 0.0010730500000000, -0.0031069700000000, -0.0018172200000000 ] - [ 0.0008096000000000, 0.0092292800000000, 0.0002798700000000 ] - [ 0.0001360400000000, -0.0040998700000000, 0.0019215300000000 ] - [ -0.0005599400000000, 0.0025866300000000, 0.0004958000000000 ] - [ -0.0001498700000000, -0.0009134200000000, -0.0003649000000000 ] - [ -0.0003409000000000, -0.0000270300000000, -0.0001789900000000 ] - [ -0.0003487600000000, -0.0009329600000000, -0.0007042000000000 ]- atom: 51 displacement: [ -0.0004120271249244, 0.0000000000000000, 0.0099915080767783 ] forces: - [ 0.0010770400000000, 0.0015467500000000, 0.0052173900000000 ] - [ 0.0014605800000000, -0.0012899400000000, 0.0019315400000000 ] - [ 0.0001756700000000, 0.0002028000000000, -0.0012435100000000 ] - [ 0.0000508000000000, -0.0002605100000000, -0.0007208200000000 ] - [ 0.0009077100000000, -0.0006980500000000, 0.0006411000000000 ] - [ 0.0004130500000000, 0.0001660800000000, 0.0003817200000000 ] - [ -0.0059634300000000, 0.0096154500000000, -0.0051916500000000 ] - [ -0.0014580700000000, -0.0023979000000000, -0.0007524700000000 ] - [ 0.0000855800000000, 0.0007966200000000, 0.0095467800000000 ] - [ -0.0002781500000000, -0.0003004600000000, 0.0014510600000000 ] - [ -0.0001176500000000, -0.0001961700000000, -0.0026027200000000 ] - [ -0.0003106700000000, 0.0000660200000000, -0.0019802500000000 ] - [ -0.0001540300000000, -0.0023310100000000, -0.0029539100000000 ] - [ -0.0001595500000000, 0.0015591900000000, -0.0018682200000000 ] - [ 0.0001159800000000, -0.0001683500000000, -0.0032531500000000 ] - [ 0.0000430200000000, -0.0001179600000000, -0.0017541500000000 ] - [ 0.0014180100000000, -0.0013009100000000, 0.0017676900000000 ] - [ 0.0008682800000000, 0.0010177300000000, 0.0015042800000000 ] - [ 0.0007762700000000, -0.0017942000000000, -0.0069790900000000 ] - [ 0.0002834300000000, 0.0003076900000000, -0.0006390200000000 ] - [ -0.0008288200000000, 0.0035501800000000, 0.0023566000000000 ] - [ 0.0003310400000000, -0.0016408500000000, 0.0012967000000000 ] - [ -0.0003570100000000, 0.0006315100000000, -0.0009785400000000 ] - [ -0.0003009000000000, -0.0004572600000000, -0.0006973300000000 ] - [ 0.0012379100000000, 0.0007026700000000, 0.0023384300000000 ] - [ 0.0002048300000000, -0.0001406700000000, 0.0012079600000000 ] - [ 0.0002134800000000, -0.0002034200000000, -0.0019427500000000 ] - [ 0.0002873600000000, 0.0000019900000000, -0.0013185700000000 ] - [ -0.0003881500000000, 0.0006050500000000, -0.0019908500000000 ] - [ -0.0002212000000000, -0.0002427000000000, -0.0014522900000000 ] - [ -0.0028378400000000, 0.0115092300000000, 0.0160048900000000 ] - [ -0.0014118900000000, 0.0013743800000000, 0.0046490700000000 ] - [ -0.0018445700000000, -0.0013298700000000, -0.0031636300000000 ] - [ -0.0009938200000000, 0.0007857200000000, 0.0004190800000000 ] - [ -0.0605601500000000, 0.0612023900000000, 0.0995357500000000 ] - [ 0.0009720300000000, 0.0009344700000000, 0.0006266000000000 ] - [ 0.0001102600000000, -0.0000528400000000, -0.0029223400000000 ] - [ 0.0002204500000000, 0.0004678300000000, -0.0022011600000000 ] - [ 0.0074086800000000, 0.0047168800000000, -0.0026732800000000 ] - [ 0.0008506200000000, -0.0004493700000000, 0.0001694900000000 ] - [ 0.0020696500000000, 0.0027530000000000, -0.0008047100000000 ] - [ 0.0006237600000000, -0.0004476800000000, -0.0005999000000000 ] - [ -0.0005152600000000, -0.0009994500000000, -0.0056041900000000 ] - [ -0.0003048800000000, -0.0004634100000000, -0.0026660000000000 ] - [ 0.0001922700000000, 0.0006585300000000, 0.0015974900000000 ] - [ 0.0000878800000000, -0.0002735100000000, 0.0009792700000000 ] - [ -0.0048555100000000, -0.0002245600000000, -0.0010614000000000 ] - [ -0.0004456900000000, 0.0011704700000000, 0.0008761000000000 ] - [ 0.0007253300000000, -0.0016989400000000, 0.0014009600000000 ] - [ 0.0009780000000000, 0.0011847900000000, 0.0015583600000000 ] - [ 0.0921581500000000, -0.1084350600000000, -0.1589130100000000 ] - [ 0.0004428100000000, 0.0002068600000000, -0.0015375300000000 ] - [ -0.0006748500000000, -0.0007478300000000, 0.0007995800000000 ] - [ -0.0004564900000000, 0.0000816400000000, 0.0008089500000000 ] - [ 0.0011855000000000, -0.0004546000000000, -0.0016002100000000 ] - [ 0.0009006800000000, 0.0006364400000000, -0.0011740300000000 ] - [ -0.0004568900000000, -0.0003359400000000, -0.0014557800000000 ] - [ -0.0002182100000000, 0.0002134800000000, -0.0007986800000000 ] - [ -0.0003394900000000, 0.0005515300000000, 0.0010554800000000 ] - [ 0.0002824800000000, -0.0003184300000000, 0.0002598200000000 ] - [ 0.0000966600000000, 0.0003144000000000, -0.0010761200000000 ] - [ -0.0001540400000000, 0.0002360200000000, -0.0011062500000000 ] - [ -0.0003573800000000, -0.0006080300000000, 0.0065687300000000 ] - [ 0.0003824400000000, 0.0010692400000000, 0.0020797300000000 ] - [ 0.0001475100000000, 0.0000678500000000, 0.0032529500000000 ] - [ 0.0001938100000000, -0.0000718000000000, 0.0015646900000000 ] - [ -0.0002339900000000, -0.0001508300000000, -0.0049519100000000 ] - [ 0.0008237400000000, -0.0003378400000000, -0.0012628300000000 ] - [ -0.0003061900000000, -0.0001314300000000, 0.0010752800000000 ] - [ -0.0002304700000000, 0.0002101700000000, 0.0009852800000000 ] - [ 0.0000785000000000, -0.0007361000000000, 0.0016387900000000 ] - [ 0.0001376900000000, -0.0005469900000000, 0.0010885400000000 ] - [ 0.0003538600000000, 0.0000565500000000, 0.0014558700000000 ] - [ -0.0001290900000000, -0.0005515400000000, 0.0002478000000000 ] - [ 0.0013700700000000, -0.0015769000000000, -0.0007054400000000 ] - [ 0.0018082400000000, 0.0009960500000000, -0.0000435500000000 ] - [ 0.0037447800000000, 0.0013852800000000, 0.0027669600000000 ] - [ -0.0002733700000000, 0.0000769100000000, 0.0000944100000000 ] - [ -0.0012480100000000, -0.0015782600000000, -0.0011805000000000 ] - [ -0.0012801500000000, 0.0010758500000000, -0.0005726200000000 ] - [ 0.0056817900000000, 0.0078008800000000, 0.0038334600000000 ] - [ 0.0002397400000000, -0.0013980100000000, -0.0018399600000000 ] - [ 0.0006424100000000, 0.0003153800000000, 0.0018854100000000 ] - [ 0.0006262400000000, 0.0003261100000000, 0.0016769400000000 ] - [ -0.0017296900000000, 0.0004231800000000, -0.0095545800000000 ] - [ -0.0002940500000000, -0.0003665200000000, -0.0013060200000000 ] - [ 0.0009278400000000, -0.0001968900000000, -0.0013965500000000 ] - [ -0.0001417900000000, -0.0002660100000000, -0.0011562200000000 ] - [ -0.0006987000000000, -0.0032187400000000, -0.0027312900000000 ] - [ -0.0025396500000000, 0.0137984800000000, -0.0036592000000000 ] - [ 0.0007749300000000, 0.0005034100000000, 0.0009775700000000 ] - [ -0.0000635400000000, 0.0000365000000000, -0.0002540300000000 ] - [ 0.0008485200000000, 0.0000900500000000, 0.0024560600000000 ] - [ -0.0000907900000000, 0.0004313800000000, 0.0005854100000000 ] - [ 0.0006688300000000, 0.0005622400000000, 0.0025208200000000 ] - [ 0.0005530000000000, 0.0005048300000000, 0.0011763800000000 ] - [ -0.0020190200000000, -0.0011555300000000, 0.0036481200000000 ] - [ -0.0009592700000000, 0.0003475600000000, 0.0013242000000000 ] - [ -0.0014317100000000, -0.0002401900000000, 0.0012168300000000 ] - [ -0.0000837100000000, 0.0006896400000000, 0.0003463100000000 ] - [ 0.0000425200000000, -0.0002131500000000, 0.0021854200000000 ] - [ -0.0000182600000000, -0.0005097200000000, 0.0012067300000000 ] - [ -0.0092628000000000, 0.0026899500000000, 0.0135517300000000 ] - [ 0.0000856800000000, -0.0005354000000000, -0.0001889600000000 ] - [ -0.0052783300000000, -0.0065107400000000, 0.0029406900000000 ] - [ -0.0010349700000000, 0.0014474300000000, -0.0005226000000000 ] - [ -0.0180983300000000, 0.0072321100000000, 0.0341733600000000 ] - [ 0.0000015800000000, 0.0000874000000000, 0.0004482500000000 ] - [ -0.0030380200000000, -0.0001616800000000, -0.0019127800000000 ] - [ -0.0008240200000000, 0.0006177200000000, -0.0010185600000000 ] - [ -0.0007431100000000, -0.0018210400000000, 0.0018048000000000 ] - [ -0.0003734100000000, 0.0000452800000000, 0.0007754600000000 ]- atom: 51 displacement: [ 0.0004120271249244, 0.0000000000000000, -0.0099915080767783 ] forces: - [ -0.0013929900000000, -0.0014899800000000, -0.0058743700000000 ] - [ -0.0017947200000000, 0.0012878800000000, -0.0025574600000000 ] - [ 0.0001507900000000, -0.0001045000000000, 0.0011279300000000 ] - [ 0.0002801100000000, 0.0003587000000000, 0.0006027500000000 ] - [ -0.0005762500000000, 0.0006085500000000, -0.0007886000000000 ] - [ -0.0000823100000000, -0.0002664900000000, -0.0005115200000000 ] - [ 0.0056462700000000, -0.0097351000000000, 0.0052212700000000 ] - [ 0.0011146900000000, 0.0022889800000000, 0.0008471900000000 ] - [ 0.0001243000000000, -0.0006810200000000, -0.0101654000000000 ] - [ 0.0004099700000000, 0.0003842000000000, -0.0020868700000000 ] - [ -0.0002299600000000, 0.0001566700000000, 0.0019610400000000 ] - [ -0.0000379200000000, -0.0000931800000000, 0.0013346100000000 ] - [ -0.0001771200000000, 0.0024136400000000, 0.0030686200000000 ] - [ -0.0001718300000000, -0.0014525000000000, 0.0019882600000000 ] - [ 0.0000234000000000, 0.0000899100000000, 0.0026093500000000 ] - [ 0.0000936200000000, 0.0000359200000000, 0.0011096100000000 ] - [ -0.0015456200000000, 0.0012186400000000, -0.0011043100000000 ] - [ -0.0009981700000000, -0.0010940800000000, -0.0008492600000000 ] - [ -0.0004315500000000, 0.0018383200000000, 0.0076348400000000 ] - [ 0.0000625800000000, -0.0002776000000000, 0.0012687200000000 ] - [ 0.0014499700000000, -0.0037551500000000, -0.0012054200000000 ] - [ 0.0000157700000000, 0.0016060000000000, -0.0006438700000000 ] - [ 0.0002229000000000, -0.0005562900000000, 0.0016112700000000 ] - [ 0.0001654400000000, 0.0005387700000000, 0.0013285200000000 ] - [ -0.0007491200000000, -0.0004912000000000, -0.0027410800000000 ] - [ 0.0002571100000000, 0.0003435200000000, -0.0016471200000000 ] - [ 0.0002393700000000, -0.0000058700000000, 0.0014953100000000 ] - [ 0.0001718700000000, -0.0002145000000000, 0.0008688000000000 ] - [ -0.0000691300000000, -0.0003988900000000, 0.0024332400000000 ] - [ -0.0002377700000000, 0.0004620200000000, 0.0018906400000000 ] - [ 0.0022267600000000, -0.0111674800000000, -0.0154544400000000 ] - [ 0.0009523900000000, -0.0015840000000000, -0.0041715400000000 ] - [ 0.0016733700000000, 0.0010536700000000, 0.0042835000000000 ] - [ 0.0008143400000000, -0.0010800900000000, 0.0006910400000000 ] - [ 0.0633729200000000, -0.0637829300000000, -0.1033284800000000 ] - [ -0.0013596900000000, -0.0001701400000000, -0.0023370900000000 ] - [ 0.0000739400000000, 0.0003348400000000, 0.0017927200000000 ] - [ -0.0000363200000000, -0.0001771200000000, 0.0010757000000000 ] - [ -0.0075525000000000, -0.0044004700000000, 0.0038038200000000 ] - [ -0.0010322600000000, 0.0007343300000000, 0.0009655800000000 ] - [ -0.0016827000000000, -0.0020229800000000, 0.0025118300000000 ] - [ -0.0002230900000000, 0.0011961600000000, 0.0022917200000000 ] - [ 0.0001130700000000, 0.0002434400000000, 0.0038802600000000 ] - [ -0.0000982300000000, -0.0002861500000000, 0.0009525000000000 ] - [ -0.0000275800000000, -0.0009341600000000, -0.0027561200000000 ] - [ 0.0000977900000000, -0.0000246500000000, -0.0021190300000000 ] - [ 0.0052482300000000, -0.0005303700000000, 0.0027877400000000 ] - [ 0.0008396200000000, -0.0019058000000000, 0.0008486300000000 ] - [ -0.0004360200000000, 0.0016949200000000, -0.0013792500000000 ] - [ -0.0006898600000000, -0.0012128200000000, -0.0015283200000000 ] - [ -0.0952719000000000, 0.1111467000000000, 0.1610844700000000 ] - [ 0.0000337900000000, -0.0004561600000000, 0.0019114300000000 ] - [ 0.0002010600000000, 0.0005014700000000, -0.0011806200000000 ] - [ -0.0000180300000000, -0.0003342500000000, -0.0011893800000000 ] - [ 0.0000315500000000, 0.0005178800000000, 0.0005025800000000 ] - [ 0.0003179000000000, -0.0005719900000000, 0.0000720100000000 ] - [ 0.0001602900000000, 0.0003061600000000, 0.0014420000000000 ] - [ -0.0000745700000000, -0.0002246900000000, 0.0007776500000000 ] - [ 0.0015503400000000, -0.0006107500000000, -0.0021660400000000 ] - [ 0.0009338100000000, 0.0002510800000000, -0.0013741100000000 ] - [ 0.0003555900000000, 0.0005706100000000, 0.0013729400000000 ] - [ 0.0005876200000000, 0.0006805400000000, 0.0014072100000000 ] - [ 0.0008073400000000, 0.0011933100000000, -0.0049245000000000 ] - [ 0.0000790800000000, -0.0004650600000000, -0.0004683900000000 ] - [ 0.0003217700000000, 0.0001777000000000, -0.0028632100000000 ] - [ 0.0002822000000000, 0.0003243700000000, -0.0011791600000000 ] - [ 0.0012501400000000, -0.0006334200000000, 0.0057090300000000 ] - [ 0.0001123800000000, -0.0003898700000000, 0.0020186500000000 ] - [ 0.0000131700000000, 0.0001464300000000, -0.0010986300000000 ] - [ -0.0000617900000000, -0.0001905900000000, -0.0010090100000000 ] - [ 0.0003622000000000, -0.0001580300000000, -0.0013404300000000 ] - [ 0.0003020600000000, -0.0003484200000000, -0.0007903900000000 ] - [ -0.0012856800000000, -0.0007966900000000, -0.0022129600000000 ] - [ -0.0008018900000000, -0.0001841200000000, -0.0010034100000000 ] - [ -0.0011015900000000, 0.0008964500000000, 0.0004089700000000 ] - [ -0.0015542900000000, -0.0016607200000000, -0.0002421000000000 ] - [ -0.0049992600000000, -0.0013340900000000, -0.0016556300000000 ] - [ -0.0009431500000000, -0.0000085900000000, 0.0010271800000000 ] - [ 0.0007921200000000, 0.0009874200000000, -0.0004191900000000 ] - [ 0.0008171300000000, -0.0016750900000000, -0.0010132400000000 ] - [ -0.0062773700000000, -0.0067279000000000, -0.0041930700000000 ] - [ -0.0008570100000000, 0.0024010900000000, 0.0014689500000000 ] - [ 0.0002835000000000, 0.0004241100000000, -0.0011265600000000 ] - [ 0.0003018400000000, 0.0004072500000000, -0.0009156900000000 ] - [ 0.0021303600000000, -0.0013479400000000, 0.0099540100000000 ] - [ 0.0009094900000000, -0.0006547100000000, 0.0016504400000000 ] - [ -0.0014019600000000, 0.0004403300000000, 0.0009945700000000 ] - [ -0.0003331300000000, 0.0005110300000000, 0.0007601200000000 ] - [ 0.0004427600000000, 0.0038441600000000, 0.0030386600000000 ] - [ 0.0022945200000000, -0.0130887700000000, 0.0040639000000000 ] - [ -0.0012287300000000, 0.0001058100000000, -0.0025950000000000 ] - [ -0.0003940900000000, 0.0005621400000000, -0.0013666200000000 ] - [ -0.0012983300000000, 0.0008040500000000, -0.0027550700000000 ] - [ -0.0003474500000000, 0.0004669900000000, -0.0008773900000000 ] - [ -0.0000412100000000, 0.0004588200000000, -0.0021653100000000 ] - [ 0.0000685800000000, 0.0005145700000000, -0.0008241100000000 ] - [ 0.0007919200000000, 0.0010826600000000, -0.0025323600000000 ] - [ -0.0002593100000000, -0.0004088700000000, -0.0002191100000000 ] - [ 0.0016939400000000, 0.0009129600000000, -0.0014980400000000 ] - [ 0.0003314700000000, -0.0000210900000000, -0.0006224800000000 ] - [ -0.0002907900000000, -0.0004521100000000, -0.0018993100000000 ] - [ -0.0002285100000000, -0.0001636900000000, -0.0009249900000000 ] - [ 0.0094264600000000, -0.0026045200000000, -0.0133332600000000 ] - [ 0.0002084700000000, 0.0005494600000000, 0.0002064100000000 ] - [ 0.0047928000000000, 0.0055528500000000, -0.0032311600000000 ] - [ 0.0005945400000000, -0.0023410400000000, 0.0002132800000000 ] - [ 0.0189549100000000, -0.0079456800000000, -0.0331879000000000 ] - [ 0.0004544900000000, -0.0006887100000000, 0.0011757300000000 ] - [ 0.0020956200000000, 0.0008941800000000, 0.0011275500000000 ] - [ -0.0001065100000000, 0.0001182300000000, 0.0002524800000000 ] - [ 0.0001263800000000, 0.0008125900000000, -0.0021586600000000 ] - [ -0.0002449200000000, -0.0010694100000000, -0.0011212000000000 ]- atom: 55 displacement: [ 0.0099999999631191, 0.0000000000000000, -0.0000008588465536 ] forces: - [ -0.0041750300000000, -0.0006421800000000, 0.0022581900000000 ] - [ -0.0009671300000000, 0.0003114800000000, -0.0002229100000000 ] - [ 0.0004541900000000, -0.0000987200000000, 0.0002261900000000 ] - [ 0.0003381600000000, 0.0002287800000000, 0.0002693800000000 ] - [ 0.0013947500000000, -0.0033998400000000, -0.0009254200000000 ] - [ 0.0088976700000000, -0.0000294700000000, -0.0028495300000000 ] - [ -0.0109490800000000, 0.0045359500000000, -0.0013562700000000 ] - [ -0.0009809100000000, -0.0003547900000000, -0.0004213600000000 ] - [ 0.0019669300000000, 0.0019370900000000, -0.0017124200000000 ] - [ 0.0020070200000000, -0.0022447300000000, -0.0035589200000000 ] - [ -0.0005248400000000, -0.0002549100000000, -0.0012900800000000 ] - [ -0.0003035100000000, 0.0000553900000000, -0.0005156300000000 ] - [ -0.0002949800000000, -0.0000386900000000, -0.0000091300000000 ] - [ -0.0002259000000000, 0.0001377900000000, 0.0001317000000000 ] - [ 0.0002715400000000, 0.0001810900000000, 0.0004880300000000 ] - [ 0.0004210300000000, -0.0002631500000000, 0.0006453400000000 ] - [ 0.0026005500000000, -0.0009305500000000, 0.0008426500000000 ] - [ 0.0003532100000000, 0.0002097800000000, 0.0006174400000000 ] - [ -0.0017359700000000, -0.0002506600000000, 0.0006680800000000 ] - [ -0.0028206000000000, -0.0000017800000000, -0.0001541300000000 ] - [ -0.0004621300000000, 0.0000512200000000, 0.0001027700000000 ] - [ -0.0004267400000000, -0.0000125000000000, 0.0003343000000000 ] - [ 0.0059098300000000, -0.0002454300000000, -0.0000889300000000 ] - [ 0.0010841600000000, 0.0000201700000000, 0.0004929200000000 ] - [ -0.0006023800000000, -0.0014112600000000, 0.0018335400000000 ] - [ -0.0009072200000000, 0.0023753200000000, 0.0013040100000000 ] - [ 0.0011652900000000, -0.0006357300000000, -0.0010611000000000 ] - [ 0.0013112100000000, 0.0007534800000000, -0.0011694800000000 ] - [ -0.0018552500000000, 0.0008507800000000, 0.0021980300000000 ] - [ -0.0007760400000000, 0.0000001500000000, 0.0007185000000000 ] - [ -0.0027100700000000, -0.0005518800000000, -0.0014984600000000 ] - [ -0.0002787700000000, 0.0000244900000000, -0.0000319400000000 ] - [ 0.0004797300000000, 0.0025508100000000, 0.0040377900000000 ] - [ 0.0015618500000000, -0.0075494500000000, 0.0050647900000000 ] - [ -0.0021041000000000, 0.0011888500000000, -0.0017941400000000 ] - [ -0.0031925000000000, -0.0006913300000000, -0.0009973200000000 ] - [ 0.0008346500000000, -0.0000673900000000, -0.0002071400000000 ] - [ 0.0004752300000000, 0.0002575500000000, -0.0003010200000000 ] - [ 0.0006046400000000, 0.0006489100000000, 0.0003353300000000 ] - [ 0.0009677500000000, -0.0004708400000000, 0.0007237900000000 ] - [ -0.0051478700000000, -0.0024013500000000, -0.0058586200000000 ] - [ -0.0008965400000000, 0.0017247800000000, 0.0007264800000000 ] - [ -0.0009375900000000, -0.0005094900000000, -0.0008545500000000 ] - [ -0.0011029900000000, -0.0006290800000000, -0.0006819500000000 ] - [ 0.0472051000000000, 0.0117039000000000, -0.0454883900000000 ] - [ 0.0025646800000000, 0.0006382500000000, -0.0018108300000000 ] - [ -0.0008264200000000, -0.0003219500000000, 0.0014456300000000 ] - [ -0.0002024100000000, -0.0002412200000000, 0.0010423100000000 ] - [ 0.0069115800000000, 0.0047254800000000, -0.0062278200000000 ] - [ 0.0006063900000000, -0.0008704300000000, -0.0008224900000000 ] - [ 0.0015762300000000, -0.0010063100000000, 0.0008327100000000 ] - [ 0.0008138100000000, 0.0001553400000000, 0.0005117200000000 ] - [ 0.0006954500000000, -0.0004140900000000, 0.0042076100000000 ] - [ -0.0005208700000000, -0.0002462800000000, 0.0001291000000000 ] - [ -0.0638931000000000, -0.0070304500000000, 0.0577848900000000 ] - [ -0.0008017600000000, -0.0000413500000000, -0.0000511100000000 ] - [ -0.0011841600000000, 0.0095145600000000, -0.0111429000000000 ] - [ -0.0014441100000000, -0.0022055200000000, -0.0009248500000000 ] - [ 0.0003623400000000, -0.0000396800000000, -0.0007762500000000 ] - [ 0.0004602100000000, -0.0001523800000000, -0.0007904400000000 ] - [ -0.0011045400000000, -0.0040160600000000, -0.0163473400000000 ] - [ -0.0004580200000000, 0.0012738500000000, 0.0001302400000000 ] - [ 0.0004694200000000, 0.0003124200000000, 0.0008538000000000 ] - [ 0.0005822900000000, 0.0003491200000000, 0.0006121600000000 ] - [ 0.0006931500000000, 0.0000787400000000, -0.0001150100000000 ] - [ 0.0010771900000000, 0.0004059900000000, -0.0007223400000000 ] - [ -0.0011095400000000, -0.0048918400000000, 0.0191485700000000 ] - [ -0.0005079500000000, -0.0003641300000000, 0.0006908800000000 ] - [ -0.0003971400000000, 0.0000147400000000, -0.0000849100000000 ] - [ -0.0007132200000000, 0.0000387900000000, 0.0001547900000000 ] - [ -0.0005275700000000, -0.0005496000000000, -0.0001300700000000 ] - [ -0.0001373300000000, -0.0004737400000000, 0.0000840700000000 ] - [ -0.0020428500000000, -0.0007046900000000, -0.0011645800000000 ] - [ -0.0036414200000000, 0.0004999300000000, -0.0014581600000000 ] - [ 0.0002322900000000, -0.0002646100000000, -0.0003310400000000 ] - [ 0.0006188900000000, -0.0004321000000000, -0.0009181300000000 ] - [ -0.0004007200000000, -0.0078935400000000, 0.0007320400000000 ] - [ -0.0003949400000000, 0.0073676400000000, 0.0008388100000000 ] - [ 0.0095624200000000, -0.0004897300000000, 0.0007455300000000 ] - [ 0.0002510000000000, -0.0004495100000000, -0.0008557400000000 ] - [ 0.0006497600000000, 0.0005300700000000, -0.0000799900000000 ] - [ 0.0000127000000000, 0.0004383800000000, -0.0001004900000000 ] - [ -0.0002328200000000, 0.0002768700000000, -0.0001551400000000 ] - [ 0.0002006100000000, 0.0003458600000000, 0.0000144400000000 ] - [ 0.0019786900000000, -0.0002229800000000, 0.0004759600000000 ] - [ 0.0022971200000000, -0.0009121300000000, 0.0000597800000000 ] - [ 0.0002607400000000, 0.0002012200000000, -0.0015847400000000 ] - [ -0.0000507200000000, -0.0001767800000000, -0.0005359600000000 ] - [ 0.0030416300000000, 0.0019777900000000, 0.0013104300000000 ] - [ 0.0005233100000000, 0.0000577400000000, 0.0005778300000000 ] - [ -0.0000706500000000, 0.0004240100000000, -0.0010457000000000 ] - [ -0.0001302400000000, 0.0002509200000000, -0.0009369500000000 ] - [ 0.0005164700000000, -0.0010860400000000, -0.0021957400000000 ] - [ -0.0000771800000000, 0.0018112100000000, -0.0012001900000000 ] - [ 0.0007783300000000, 0.0007610300000000, 0.0006424700000000 ] - [ 0.0009478300000000, 0.0003135700000000, 0.0006372300000000 ] - [ -0.0007919900000000, -0.0001109100000000, 0.0004214700000000 ] - [ -0.0008763000000000, 0.0000971600000000, 0.0003280300000000 ] - [ 0.0019513800000000, 0.0029065800000000, 0.0021091500000000 ] - [ 0.0011372100000000, -0.0017504700000000, 0.0019079500000000 ] - [ 0.0003723100000000, -0.0003375300000000, 0.0000822400000000 ] - [ 0.0001997000000000, -0.0003229300000000, 0.0000019700000000 ] - [ 0.0002767500000000, -0.0003961900000000, 0.0009393900000000 ] - [ -0.0000648300000000, 0.0000540600000000, 0.0000166200000000 ] - [ -0.0003144900000000, -0.0006645600000000, 0.0000752200000000 ] - [ -0.0002953100000000, 0.0003384400000000, 0.0006600500000000 ] - [ 0.0029127900000000, -0.0018922000000000, 0.0009538400000000 ] - [ 0.0017207900000000, -0.0004367900000000, 0.0009781700000000 ] - [ -0.0016488500000000, 0.0001831100000000, -0.0006704100000000 ] - [ -0.0016151200000000, -0.0001389600000000, -0.0012416000000000 ] - [ 0.0026707100000000, -0.0001238900000000, 0.0012881400000000 ] - [ 0.0006240400000000, -0.0007338800000000, 0.0000252500000000 ]- atom: 55 displacement: [ -0.0099999999631191, 0.0000000000000000, 0.0000008588465536 ] forces: - [ 0.0038159600000000, 0.0006845100000000, -0.0029175700000000 ] - [ 0.0006292000000000, -0.0002780900000000, -0.0004117100000000 ] - [ -0.0001196600000000, 0.0001897700000000, -0.0003357600000000 ] - [ -0.0000019700000000, -0.0001333200000000, -0.0003786100000000 ] - [ -0.0010724900000000, 0.0032921400000000, 0.0008013200000000 ] - [ -0.0087698600000000, 0.0003001600000000, 0.0027326300000000 ] - [ 0.0108160300000000, -0.0046418200000000, 0.0014700100000000 ] - [ 0.0006471100000000, 0.0002594200000000, 0.0005315800000000 ] - [ -0.0018200100000000, -0.0018587400000000, 0.0010626400000000 ] - [ -0.0018466300000000, 0.0023466600000000, 0.0029020200000000 ] - [ 0.0001849100000000, 0.0002208400000000, 0.0006666600000000 ] - [ -0.0000346500000000, -0.0000911600000000, -0.0001108000000000 ] - [ -0.0000377600000000, 0.0001326500000000, 0.0001246800000000 ] - [ -0.0001108000000000, -0.0000455000000000, -0.0000170200000000 ] - [ -0.0001298800000000, -0.0002760100000000, -0.0011342300000000 ] - [ -0.0002772200000000, 0.0001686700000000, -0.0012915900000000 ] - [ -0.0027390600000000, 0.0008358200000000, -0.0001692000000000 ] - [ -0.0004919300000000, -0.0003045000000000, 0.0000325200000000 ] - [ 0.0020698800000000, 0.0002929300000000, -0.0000288800000000 ] - [ 0.0031537700000000, 0.0000277600000000, 0.0007922700000000 ] - [ 0.0007966900000000, -0.0000873600000000, 0.0005263900000000 ] - [ 0.0007610300000000, -0.0000227500000000, 0.0002951600000000 ] - [ -0.0060469700000000, 0.0003734900000000, 0.0008849900000000 ] - [ -0.0012250300000000, 0.0000725900000000, 0.0001581100000000 ] - [ 0.0010423500000000, 0.0015962000000000, -0.0022547900000000 ] - [ 0.0013471800000000, -0.0021542800000000, -0.0017364200000000 ] - [ -0.0007236900000000, 0.0004250900000000, 0.0006295400000000 ] - [ -0.0008701700000000, -0.0009609600000000, 0.0007376700000000 ] - [ 0.0014114900000000, -0.0006364800000000, -0.0017472700000000 ] - [ 0.0003310800000000, 0.0002080700000000, -0.0002825200000000 ] - [ 0.0022842900000000, 0.0003588400000000, 0.0019307700000000 ] - [ -0.0001623500000000, -0.0002271600000000, 0.0004622400000000 ] - [ -0.0006566800000000, -0.0028301000000000, -0.0029254100000000 ] - [ -0.0017280500000000, 0.0072251900000000, -0.0039319800000000 ] - [ 0.0016879100000000, -0.0004327200000000, 0.0000725000000000 ] - [ 0.0027716000000000, 0.0014177800000000, -0.0007103600000000 ] - [ -0.0006437800000000, 0.0003561300000000, -0.0009226800000000 ] - [ -0.0002827600000000, 0.0000274700000000, -0.0008234400000000 ] - [ -0.0007948800000000, -0.0003690500000000, 0.0007948700000000 ] - [ -0.0011602300000000, 0.0007576900000000, 0.0004078300000000 ] - [ 0.0055612700000000, 0.0031639800000000, 0.0075968000000000 ] - [ 0.0013109700000000, -0.0009860500000000, 0.0009698700000000 ] - [ 0.0005233900000000, -0.0002356700000000, -0.0008358800000000 ] - [ 0.0006879100000000, -0.0001189800000000, -0.0010084800000000 ] - [ -0.0463225900000000, -0.0118697800000000, 0.0438618500000000 ] - [ -0.0023716000000000, -0.0009299500000000, 0.0006817400000000 ] - [ 0.0012313200000000, -0.0004237400000000, 0.0002550700000000 ] - [ 0.0006139100000000, -0.0005056500000000, 0.0006535700000000 ] - [ -0.0065477400000000, -0.0046877200000000, 0.0061669600000000 ] - [ -0.0003078700000000, 0.0008623000000000, 0.0008458500000000 ] - [ -0.0010961700000000, 0.0007574400000000, -0.0004337300000000 ] - [ -0.0003290600000000, -0.0003991300000000, -0.0001189000000000 ] - [ -0.0011759100000000, 0.0001660900000000, -0.0046211300000000 ] - [ 0.0000362100000000, -0.0000013100000000, -0.0005180500000000 ] - [ 0.0644368600000000, 0.0066088000000000, -0.0586309600000000 ] - [ 0.0020161300000000, 0.0001113900000000, -0.0010606200000000 ] - [ 0.0009336600000000, -0.0095714100000000, 0.0111552200000000 ] - [ 0.0011446200000000, 0.0021967400000000, 0.0009169400000000 ] - [ 0.0008518400000000, -0.0000249300000000, -0.0003361000000000 ] - [ 0.0007542200000000, 0.0000865900000000, -0.0003227600000000 ] - [ 0.0016231900000000, 0.0049381200000000, 0.0166901900000000 ] - [ 0.0008871500000000, -0.0003767800000000, 0.0001711800000000 ] - [ 0.0000133400000000, 0.0002727100000000, 0.0007412400000000 ] - [ -0.0000993700000000, 0.0002367300000000, 0.0009830500000000 ] - [ -0.0002067200000000, 0.0001707800000000, 0.0004997800000000 ] - [ -0.0005906000000000, -0.0001542400000000, 0.0011010100000000 ] - [ 0.0019866100000000, 0.0041430600000000, -0.0183423200000000 ] - [ 0.0014362000000000, -0.0003698900000000, 0.0000714400000000 ] - [ 0.0000939700000000, -0.0000043300000000, 0.0000630400000000 ] - [ 0.0004122600000000, -0.0000312300000000, -0.0001771200000000 ] - [ 0.0009607800000000, -0.0003387800000000, 0.0004341100000000 ] - [ 0.0005684300000000, -0.0004164600000000, 0.0002132800000000 ] - [ 0.0011108300000000, -0.0000264900000000, 0.0004079900000000 ] - [ 0.0026996400000000, -0.0012456000000000, 0.0007001200000000 ] - [ 0.0000078400000000, -0.0003980400000000, 0.0000479200000000 ] - [ -0.0003758100000000, -0.0002335000000000, 0.0006313500000000 ] - [ -0.0008508200000000, 0.0079376400000000, 0.0003930700000000 ] - [ -0.0008442700000000, -0.0072626400000000, 0.0002843900000000 ] - [ -0.0101683300000000, -0.0000814000000000, -0.0023496600000000 ] - [ -0.0007310300000000, -0.0001354200000000, -0.0007407200000000 ] - [ -0.0012723800000000, 0.0004870200000000, -0.0002740400000000 ] - [ -0.0006372400000000, 0.0005803500000000, -0.0002556400000000 ] - [ 0.0011506800000000, 0.0004557400000000, 0.0009199700000000 ] - [ 0.0007263900000000, 0.0003898200000000, 0.0007432700000000 ] - [ -0.0013424900000000, -0.0007932800000000, -0.0001118300000000 ] - [ -0.0016602700000000, -0.0001057900000000, 0.0003068100000000 ] - [ -0.0007399400000000, 0.0000484800000000, 0.0011885100000000 ] - [ -0.0004358900000000, 0.0004249700000000, 0.0001492900000000 ] - [ -0.0032741600000000, -0.0012996300000000, -0.0010025300000000 ] - [ -0.0007643300000000, 0.0006038500000000, -0.0002904300000000 ] - [ -0.0004100500000000, 0.0001622500000000, -0.0005574000000000 ] - [ -0.0003526100000000, 0.0003345700000000, -0.0006627700000000 ] - [ -0.0009549300000000, 0.0019628600000000, 0.0018841600000000 ] - [ -0.0003582900000000, -0.0009134200000000, 0.0008998100000000 ] - [ -0.0001522600000000, 0.0002562200000000, -0.0002883900000000 ] - [ -0.0003211900000000, 0.0007050300000000, -0.0002836400000000 ] - [ -0.0004244800000000, 0.0000471500000000, 0.0006874300000000 ] - [ -0.0003391200000000, -0.0001627100000000, 0.0007795500000000 ] - [ -0.0017112000000000, -0.0022602700000000, -0.0024035900000000 ] - [ -0.0009007600000000, 0.0024201000000000, -0.0021999400000000 ] - [ -0.0006127700000000, -0.0003277200000000, 0.0001967500000000 ] - [ -0.0004394200000000, -0.0003402900000000, 0.0002783200000000 ] - [ 0.0000233200000000, 0.0004087100000000, -0.0009234300000000 ] - [ 0.0003670000000000, -0.0000454700000000, 0.0000043100000000 ] - [ -0.0001183500000000, -0.0002240500000000, -0.0003743300000000 ] - [ -0.0001389400000000, -0.0012334700000000, -0.0009613000000000 ] - [ -0.0024121900000000, 0.0012710100000000, 0.0006548000000000 ] - [ -0.0012391300000000, -0.0001413200000000, 0.0006241400000000 ] - [ 0.0007180100000000, 0.0005557800000000, -0.0000929000000000 ] - [ 0.0006844300000000, 0.0008713600000000, 0.0004815900000000 ] - [ -0.0032941700000000, -0.0008993800000000, -0.0016592600000000 ] - [ -0.0012518700000000, -0.0002816600000000, -0.0003840600000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006340200000000, 0.0032782800000000, -0.0003063700000000 ] - [ 0.0001974500000000, -0.0015762300000000, -0.0005788100000000 ] - [ -0.0000015700000000, 0.0000143700000000, 0.0001606800000000 ] - [ 0.0002335200000000, -0.0000167100000000, -0.0000269400000000 ] - [ -0.0028161500000000, -0.0068561400000000, -0.0015356700000000 ] - [ -0.0029565200000000, 0.0084064400000000, 0.0025845900000000 ] - [ 0.0040794900000000, 0.0056489100000000, -0.0003491500000000 ] - [ -0.0010793700000000, -0.0037735100000000, -0.0003175400000000 ] - [ 0.0015560500000000, -0.0023065000000000, 0.0030671100000000 ] - [ -0.0024322200000000, -0.0010048600000000, -0.0061098800000000 ] - [ -0.0001923700000000, 0.0006957800000000, -0.0001004100000000 ] - [ -0.0000773000000000, -0.0006319700000000, -0.0000320800000000 ] - [ -0.0000627900000000, 0.0006483600000000, 0.0002108600000000 ] - [ -0.0001443100000000, -0.0005295900000000, 0.0001970700000000 ] - [ 0.0002033400000000, -0.0003366200000000, -0.0012756700000000 ] - [ -0.0003940200000000, 0.0002239500000000, 0.0013657900000000 ] - [ -0.0009735100000000, 0.0019077500000000, 0.0005513700000000 ] - [ -0.0001204200000000, -0.0010745200000000, 0.0002571900000000 ] - [ 0.0003900800000000, -0.0005215400000000, -0.0002424400000000 ] - [ 0.0000227300000000, 0.0002283800000000, 0.0009117800000000 ] - [ 0.0002528400000000, -0.0001826500000000, 0.0008709600000000 ] - [ 0.0003018300000000, 0.0000956700000000, -0.0000415600000000 ] - [ -0.0004016100000000, 0.0065998400000000, 0.0078184000000000 ] - [ -0.0002261400000000, -0.0028521700000000, 0.0006513500000000 ] - [ -0.0010322500000000, -0.0021134000000000, 0.0029903300000000 ] - [ 0.0010743300000000, -0.0013481500000000, -0.0019193800000000 ] - [ -0.0002777800000000, -0.0007785900000000, -0.0012532900000000 ] - [ 0.0013805700000000, 0.0001491500000000, 0.0016297000000000 ] - [ 0.0000127400000000, 0.0018070900000000, 0.0005573400000000 ] - [ -0.0001553200000000, -0.0012596900000000, 0.0002745700000000 ] - [ 0.0011867500000000, 0.0008199900000000, 0.0007928100000000 ] - [ -0.0003730100000000, -0.0009922500000000, 0.0000551100000000 ] - [ 0.0022812800000000, -0.0036147500000000, -0.0069173000000000 ] - [ -0.0072428400000000, -0.0026537200000000, 0.0082846400000000 ] - [ -0.0000862900000000, -0.0005701400000000, -0.0007008900000000 ] - [ 0.0000267100000000, 0.0014333400000000, -0.0015892000000000 ] - [ -0.0002048800000000, 0.0012206900000000, -0.0008145800000000 ] - [ -0.0001521400000000, -0.0009032600000000, -0.0002973600000000 ] - [ 0.0004829000000000, -0.0000796400000000, 0.0012881600000000 ] - [ -0.0008878600000000, 0.0003774100000000, 0.0003456100000000 ] - [ -0.0010054800000000, 0.0052516100000000, 0.0011013700000000 ] - [ 0.0010060900000000, -0.0031371200000000, 0.0003720400000000 ] - [ -0.0002053100000000, -0.0002476400000000, -0.0009630900000000 ] - [ -0.0001429800000000, -0.0005283600000000, -0.0003553400000000 ] - [ 0.0125346400000000, 0.0542076200000000, -0.0621434700000000 ] - [ -0.0000783700000000, -0.0050047500000000, -0.0010103000000000 ] - [ 0.0001905200000000, 0.0008629100000000, 0.0010327400000000 ] - [ 0.0003400200000000, -0.0012128500000000, 0.0008719000000000 ] - [ 0.0038906800000000, -0.0022769700000000, -0.0022736500000000 ] - [ -0.0010392200000000, 0.0027128200000000, 0.0014692800000000 ] - [ -0.0004463700000000, -0.0001799700000000, -0.0003193000000000 ] - [ 0.0006295500000000, 0.0001378800000000, 0.0008165600000000 ] - [ -0.0010368700000000, -0.0025159500000000, -0.0015840300000000 ] - [ 0.0000886900000000, 0.0015288200000000, -0.0002243100000000 ] - [ -0.0059696500000000, -0.0868132300000000, 0.0682121300000000 ] - [ 0.0005288300000000, 0.0031839600000000, -0.0006185300000000 ] - [ 0.0091788300000000, 0.0072660900000000, -0.0168761100000000 ] - [ 0.0002177400000000, 0.0037272600000000, 0.0021729100000000 ] - [ 0.0006146400000000, -0.0003835200000000, -0.0006126300000000 ] - [ 0.0007265400000000, 0.0003314200000000, -0.0006733500000000 ] - [ -0.0061785300000000, -0.0035855300000000, 0.0146635300000000 ] - [ -0.0000546100000000, 0.0035904300000000, 0.0002387500000000 ] - [ 0.0002354100000000, 0.0004376300000000, 0.0007485100000000 ] - [ 0.0001783600000000, 0.0001159300000000, 0.0005422100000000 ] - [ 0.0000553500000000, 0.0004625300000000, 0.0004688800000000 ] - [ 0.0004668500000000, -0.0001384800000000, -0.0003800100000000 ] - [ -0.0020497100000000, -0.0067681900000000, -0.0075331700000000 ] - [ 0.0006517900000000, 0.0014097300000000, 0.0009784400000000 ] - [ -0.0001115300000000, 0.0006162700000000, 0.0001254500000000 ] - [ -0.0000553100000000, -0.0007228400000000, -0.0004610500000000 ] - [ 0.0003268000000000, -0.0008617100000000, 0.0007344100000000 ] - [ 0.0002134200000000, 0.0004388500000000, -0.0006904300000000 ] - [ -0.0002202700000000, 0.0012714000000000, 0.0016970600000000 ] - [ 0.0006733400000000, 0.0024037200000000, -0.0073043600000000 ] - [ 0.0002684400000000, 0.0002258100000000, -0.0004348100000000 ] - [ -0.0002872700000000, -0.0009189700000000, 0.0004419600000000 ] - [ -0.0078705800000000, 0.0120536500000000, 0.0012548900000000 ] - [ 0.0073759500000000, 0.0122161400000000, 0.0000791000000000 ] - [ -0.0020543900000000, -0.0040603000000000, -0.0011249400000000 ] - [ 0.0000424800000000, 0.0014656200000000, -0.0002986500000000 ] - [ -0.0003995500000000, -0.0000715900000000, -0.0002646200000000 ] - [ -0.0003800500000000, 0.0010217300000000, -0.0002208200000000 ] - [ -0.0000386100000000, -0.0005853500000000, 0.0009994600000000 ] - [ 0.0005273100000000, 0.0011556400000000, 0.0003458900000000 ] - [ 0.0014085600000000, 0.0004125900000000, -0.0001616500000000 ] - [ -0.0005791800000000, -0.0006934900000000, 0.0006326100000000 ] - [ 0.0003165600000000, -0.0014816700000000, -0.0012897700000000 ] - [ -0.0004696900000000, 0.0007731200000000, 0.0001782100000000 ] - [ -0.0004360000000000, -0.0013803900000000, 0.0003529200000000 ] - [ -0.0001415500000000, 0.0018640000000000, 0.0002647200000000 ] - [ -0.0001309800000000, -0.0000550300000000, -0.0010349600000000 ] - [ -0.0003294900000000, 0.0005904600000000, -0.0009260300000000 ] - [ -0.0017093200000000, -0.0001101600000000, 0.0018640500000000 ] - [ 0.0013563700000000, 0.0020209900000000, -0.0019437300000000 ] - [ 0.0004149000000000, 0.0005677300000000, 0.0004880700000000 ] - [ 0.0000893900000000, 0.0004982700000000, -0.0003180000000000 ] - [ -0.0006859100000000, 0.0002110700000000, 0.0002745500000000 ] - [ -0.0004758900000000, -0.0002933100000000, 0.0002965300000000 ] - [ 0.0033184500000000, -0.0000780800000000, 0.0016892000000000 ] - [ -0.0017370500000000, 0.0036444600000000, -0.0028416400000000 ] - [ -0.0002454500000000, -0.0006269500000000, 0.0002252200000000 ] - [ -0.0001086500000000, 0.0000220900000000, -0.0001317200000000 ] - [ -0.0000815500000000, -0.0001158200000000, -0.0005817900000000 ] - [ 0.0003160000000000, 0.0002213700000000, 0.0001476200000000 ] - [ -0.0004386900000000, 0.0001513600000000, -0.0004726100000000 ] - [ -0.0000956800000000, -0.0014053700000000, -0.0003428500000000 ] - [ -0.0004241700000000, -0.0002221100000000, 0.0008297100000000 ] - [ 0.0006043800000000, -0.0001950500000000, 0.0011823600000000 ] - [ -0.0008448200000000, 0.0006468300000000, -0.0018020000000000 ] - [ -0.0000572800000000, 0.0006615000000000, 0.0005612600000000 ] - [ -0.0001836700000000, -0.0018989600000000, -0.0002465300000000 ] - [ -0.0007450900000000, 0.0006095300000000, -0.0003511600000000 ]- atom: 55 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002870000000000, -0.0032529000000000, -0.0003244000000000 ] - [ -0.0005282800000000, 0.0016051900000000, -0.0000586700000000 ] - [ 0.0003360300000000, 0.0000763300000000, -0.0002710200000000 ] - [ 0.0001046800000000, 0.0001158300000000, -0.0000815100000000 ] - [ 0.0031724800000000, 0.0067831800000000, 0.0014170500000000 ] - [ 0.0027649000000000, -0.0078713900000000, -0.0026854900000000 ] - [ -0.0043552000000000, -0.0057744900000000, 0.0004529000000000 ] - [ 0.0007341500000000, 0.0036695300000000, 0.0004246100000000 ] - [ -0.0014194700000000, 0.0023722800000000, -0.0037365600000000 ] - [ 0.0025671800000000, 0.0011233900000000, 0.0054205300000000 ] - [ -0.0001450400000000, -0.0007297200000000, -0.0005301200000000 ] - [ -0.0002576700000000, 0.0005965000000000, -0.0005912200000000 ] - [ -0.0002729200000000, -0.0005509000000000, -0.0000943400000000 ] - [ -0.0001956400000000, 0.0006221500000000, -0.0000805200000000 ] - [ -0.0000644400000000, 0.0002362000000000, 0.0006298600000000 ] - [ 0.0005295400000000, -0.0003123100000000, -0.0020076100000000 ] - [ 0.0008271500000000, -0.0020056900000000, 0.0001299400000000 ] - [ -0.0000179400000000, 0.0009793600000000, 0.0003880200000000 ] - [ -0.0000527700000000, 0.0005490000000000, 0.0008735900000000 ] - [ 0.0003194900000000, -0.0001832900000000, -0.0002740800000000 ] - [ 0.0000846700000000, 0.0001462300000000, -0.0002436500000000 ] - [ 0.0000348000000000, -0.0001261400000000, 0.0006730400000000 ] - [ 0.0002638900000000, -0.0064105300000000, -0.0071114000000000 ] - [ 0.0000854200000000, 0.0029379000000000, 0.0000084600000000 ] - [ 0.0014704800000000, 0.0023045100000000, -0.0034239700000000 ] - [ -0.0006365800000000, 0.0015808100000000, 0.0014819300000000 ] - [ 0.0007229100000000, 0.0005610600000000, 0.0008236300000000 ] - [ -0.0009318900000000, -0.0003486900000000, -0.0020510900000000 ] - [ -0.0004563100000000, -0.0015963600000000, -0.0001230500000000 ] - [ -0.0002881900000000, 0.0014673400000000, 0.0001649600000000 ] - [ -0.0016059000000000, -0.0010155300000000, -0.0003459100000000 ] - [ -0.0000687400000000, 0.0007874600000000, 0.0003747000000000 ] - [ -0.0024807600000000, 0.0033123700000000, 0.0080672000000000 ] - [ 0.0070069900000000, 0.0023833700000000, -0.0071087400000000 ] - [ -0.0003280100000000, 0.0013028400000000, -0.0010004200000000 ] - [ -0.0004415200000000, -0.0006688100000000, -0.0001198200000000 ] - [ 0.0003952800000000, -0.0009294600000000, -0.0003152800000000 ] - [ 0.0003437500000000, 0.0011859800000000, -0.0008223400000000 ] - [ -0.0006750000000000, 0.0003539600000000, -0.0001547800000000 ] - [ 0.0006945600000000, -0.0000862000000000, 0.0007908400000000 ] - [ 0.0014139100000000, -0.0045203800000000, 0.0005849700000000 ] - [ -0.0005796600000000, 0.0038587100000000, 0.0013234200000000 ] - [ -0.0002092000000000, -0.0005004300000000, -0.0007253200000000 ] - [ -0.0002699600000000, -0.0002153200000000, -0.0013360300000000 ] - [ -0.0124317800000000, -0.0537946000000000, 0.0612863400000000 ] - [ 0.0002694200000000, 0.0046985800000000, -0.0001294200000000 ] - [ 0.0002207800000000, -0.0016117700000000, 0.0006693700000000 ] - [ 0.0000741400000000, 0.0004634800000000, 0.0008241700000000 ] - [ -0.0035791100000000, 0.0022370200000000, 0.0022926800000000 ] - [ 0.0013454700000000, -0.0027219900000000, -0.0014586600000000 ] - [ 0.0009253800000000, -0.0000585100000000, 0.0007104700000000 ] - [ -0.0001376400000000, -0.0003945600000000, -0.0004249100000000 ] - [ 0.0005576100000000, 0.0022509700000000, 0.0012023700000000 ] - [ -0.0005769800000000, -0.0017716200000000, -0.0001673400000000 ] - [ 0.0076664000000000, 0.0855082900000000, -0.0697184200000000 ] - [ 0.0006847400000000, -0.0031122200000000, -0.0004920400000000 ] - [ -0.0096054100000000, -0.0073289800000000, 0.0170330400000000 ] - [ -0.0005144200000000, -0.0037255800000000, -0.0021637300000000 ] - [ 0.0006013500000000, 0.0003197200000000, -0.0005029000000000 ] - [ 0.0004903100000000, -0.0003975800000000, -0.0004424300000000 ] - [ 0.0066159900000000, 0.0044016500000000, -0.0143907300000000 ] - [ 0.0004847900000000, -0.0026887100000000, 0.0000687600000000 ] - [ 0.0002470600000000, 0.0001480100000000, 0.0008442100000000 ] - [ 0.0003030900000000, 0.0004690100000000, 0.0010550300000000 ] - [ 0.0004340200000000, -0.0002076000000000, -0.0000849600000000 ] - [ 0.0000210200000000, 0.0003864600000000, 0.0007653200000000 ] - [ 0.0029584500000000, 0.0061184100000000, 0.0082007900000000 ] - [ 0.0002796000000000, -0.0021405500000000, -0.0002084100000000 ] - [ -0.0001903000000000, -0.0006039900000000, -0.0001494600000000 ] - [ -0.0002455400000000, 0.0007268200000000, 0.0004371100000000 ] - [ 0.0001081600000000, -0.0000237300000000, -0.0004315000000000 ] - [ 0.0002192600000000, -0.0013264000000000, 0.0009824400000000 ] - [ -0.0007039800000000, -0.0020034900000000, -0.0024636200000000 ] - [ -0.0015899900000000, -0.0031209600000000, 0.0064751400000000 ] - [ -0.0000286800000000, -0.0008888700000000, 0.0001530000000000 ] - [ 0.0005308700000000, 0.0002521200000000, -0.0007285900000000 ] - [ 0.0067584100000000, -0.0121279700000000, -0.0001208400000000 ] - [ -0.0084582300000000, -0.0119657600000000, 0.0010416600000000 ] - [ 0.0015911600000000, 0.0034481700000000, -0.0004660900000000 ] - [ -0.0005280700000000, -0.0020471300000000, -0.0012958900000000 ] - [ -0.0002246900000000, 0.0010879500000000, -0.0000928800000000 ] - [ -0.0002425500000000, -0.0000033000000000, -0.0001340100000000 ] - [ 0.0009592900000000, 0.0013147900000000, -0.0002364600000000 ] - [ 0.0003998600000000, -0.0004194300000000, 0.0004085200000000 ] - [ -0.0007888500000000, -0.0014272500000000, 0.0005215700000000 ] - [ 0.0012047800000000, -0.0003341500000000, -0.0002686400000000 ] - [ -0.0008016300000000, 0.0017367400000000, 0.0009045800000000 ] - [ -0.0000200400000000, -0.0005239800000000, -0.0005608100000000 ] - [ 0.0001887400000000, 0.0020319300000000, -0.0000692000000000 ] - [ -0.0000935500000000, -0.0011925800000000, 0.0000249200000000 ] - [ -0.0003500400000000, 0.0006437900000000, -0.0005687600000000 ] - [ -0.0001524500000000, -0.0000036400000000, -0.0006756600000000 ] - [ 0.0012773800000000, 0.0010106800000000, -0.0021644100000000 ] - [ -0.0017799400000000, -0.0011328900000000, 0.0016314000000000 ] - [ 0.0002075400000000, 0.0004521400000000, -0.0001327800000000 ] - [ 0.0005317800000000, 0.0005152900000000, 0.0006705700000000 ] - [ -0.0005299900000000, -0.0002730500000000, 0.0008333300000000 ] - [ -0.0007383400000000, 0.0002262300000000, 0.0008068200000000 ] - [ -0.0030950200000000, 0.0007463200000000, -0.0019812100000000 ] - [ 0.0019603400000000, -0.0029533100000000, 0.0025230900000000 ] - [ 0.0000059500000000, -0.0000384400000000, 0.0000563400000000 ] - [ -0.0001296300000000, -0.0006898500000000, 0.0004110700000000 ] - [ 0.0003796200000000, 0.0001309300000000, 0.0005929800000000 ] - [ -0.0000153800000000, -0.0002157600000000, -0.0001254600000000 ] - [ 0.0000057600000000, -0.0010377100000000, 0.0001746400000000 ] - [ -0.0003389800000000, 0.0005058200000000, 0.0000392500000000 ] - [ 0.0009031600000000, -0.0003544600000000, 0.0007718700000000 ] - [ -0.0001207100000000, -0.0004019000000000, 0.0004263700000000 ] - [ -0.0000803300000000, 0.0000966700000000, 0.0010400600000000 ] - [ -0.0008717300000000, 0.0000629700000000, -0.0013217100000000 ] - [ -0.0004411500000000, 0.0008840400000000, -0.0001093500000000 ] - [ 0.0001152900000000, -0.0016236200000000, -0.0000102800000000 ]- atom: 55 displacement: [ -0.0004120271249244, 0.0000000000000000, 0.0099915080767783 ] forces: - [ 0.0050959000000000, 0.0001920400000000, 0.0017421800000000 ] - [ 0.0002553600000000, 0.0000563700000000, 0.0006389300000000 ] - [ 0.0000328200000000, -0.0002501800000000, -0.0031875700000000 ] - [ -0.0000015700000000, 0.0000053500000000, -0.0027193500000000 ] - [ 0.0001811100000000, 0.0004016200000000, 0.0059343800000000 ] - [ -0.0000509300000000, -0.0007086300000000, 0.0129672300000000 ] - [ -0.0000891300000000, -0.0010568800000000, 0.0104287000000000 ] - [ 0.0000635900000000, 0.0002723700000000, 0.0020518600000000 ] - [ -0.0020687700000000, 0.0052659600000000, 0.0010616400000000 ] - [ -0.0040992600000000, -0.0068793700000000, -0.0003302500000000 ] - [ -0.0014127300000000, -0.0004624900000000, -0.0032474300000000 ] - [ -0.0003160800000000, 0.0000576400000000, -0.0012909400000000 ] - [ 0.0001519200000000, -0.0001103000000000, -0.0032096700000000 ] - [ -0.0003139900000000, 0.0001566500000000, -0.0015675900000000 ] - [ 0.0009698200000000, -0.0018143300000000, -0.0027062800000000 ] - [ 0.0010409700000000, 0.0013137700000000, -0.0034141900000000 ] - [ 0.0005530200000000, 0.0009856500000000, -0.0086737600000000 ] - [ -0.0000564000000000, 0.0000386300000000, -0.0007570700000000 ] - [ 0.0001283400000000, -0.0009828500000000, 0.0012131800000000 ] - [ 0.0009573000000000, 0.0015086600000000, 0.0013076700000000 ] - [ 0.0000726300000000, 0.0006938700000000, -0.0011239600000000 ] - [ 0.0002674300000000, -0.0005432600000000, -0.0009074500000000 ] - [ -0.0003873900000000, 0.0063532700000000, 0.0399652300000000 ] - [ -0.0004042800000000, 0.0011641500000000, 0.0012094500000000 ] - [ 0.0018826100000000, 0.0031546800000000, -0.0033623900000000 ] - [ 0.0027099400000000, -0.0058036200000000, -0.0028246000000000 ] - [ -0.0007064700000000, -0.0021852800000000, -0.0010495000000000 ] - [ -0.0016360500000000, 0.0024263400000000, -0.0022224900000000 ] - [ 0.0019064100000000, -0.0005434900000000, -0.0016196700000000 ] - [ 0.0001167700000000, 0.0004453700000000, -0.0002407500000000 ] - [ -0.0057749100000000, -0.0009290100000000, -0.0023049000000000 ] - [ -0.0004139300000000, -0.0000845300000000, 0.0001687600000000 ] - [ 0.0009025800000000, -0.0038054900000000, 0.0051115200000000 ] - [ 0.0058773200000000, 0.0107490900000000, 0.0046948600000000 ] - [ 0.0000999700000000, 0.0010257500000000, 0.0026442800000000 ] - [ 0.0005008500000000, -0.0010112900000000, 0.0022480000000000 ] - [ -0.0005791000000000, 0.0009726500000000, -0.0080595900000000 ] - [ 0.0005597000000000, 0.0003762600000000, -0.0028311900000000 ] - [ -0.0006590000000000, 0.0018037500000000, -0.0027558200000000 ] - [ -0.0005574200000000, -0.0007758100000000, -0.0031226400000000 ] - [ -0.0065705000000000, -0.0005046400000000, 0.0061730100000000 ] - [ -0.0001412100000000, 0.0012456300000000, 0.0026167800000000 ] - [ -0.0004005700000000, -0.0010448400000000, -0.0029388100000000 ] - [ -0.0001761600000000, 0.0000243000000000, -0.0033868700000000 ] - [ -0.0475976400000000, -0.0609075300000000, 0.2531221700000000 ] - [ -0.0011335500000000, 0.0000307300000000, 0.0022494600000000 ] - [ 0.0017640900000000, -0.0001196200000000, -0.0029431400000000 ] - [ 0.0005539300000000, -0.0000895300000000, -0.0008133700000000 ] - [ -0.0083024400000000, -0.0040456100000000, 0.0012072900000000 ] - [ -0.0000891700000000, 0.0006125000000000, -0.0012772000000000 ] - [ 0.0022410400000000, -0.0017725600000000, -0.0008046700000000 ] - [ 0.0005585900000000, 0.0005317600000000, -0.0004314700000000 ] - [ 0.0072722400000000, -0.0014112600000000, 0.0021492100000000 ] - [ 0.0001339000000000, 0.0001920700000000, -0.0006555200000000 ] - [ 0.0632776100000000, 0.0721749500000000, -0.3716267100000000 ] - [ 0.0011763400000000, -0.0000295200000000, -0.0028948600000000 ] - [ -0.0081709900000000, -0.0132751900000000, 0.0066305400000000 ] - [ -0.0002482300000000, 0.0014843500000000, -0.0022170900000000 ] - [ 0.0004002800000000, 0.0000218600000000, 0.0048082300000000 ] - [ 0.0003835300000000, 0.0000879400000000, 0.0013456100000000 ] - [ -0.0152450900000000, 0.0100717400000000, 0.0261324600000000 ] - [ 0.0004610400000000, -0.0015673200000000, -0.0005779000000000 ] - [ 0.0003350600000000, 0.0004177800000000, 0.0025728700000000 ] - [ 0.0001556300000000, 0.0004104700000000, 0.0029364000000000 ] - [ -0.0000190200000000, 0.0004547500000000, 0.0010181800000000 ] - [ -0.0007023200000000, -0.0006902000000000, 0.0018094400000000 ] - [ 0.0123791800000000, -0.0093708100000000, 0.0257673000000000 ] - [ 0.0007138400000000, -0.0002843400000000, -0.0004459900000000 ] - [ -0.0001746900000000, 0.0004088200000000, 0.0011135400000000 ] - [ 0.0002731400000000, -0.0007988600000000, 0.0026607200000000 ] - [ 0.0016399000000000, 0.0012632800000000, 0.0060051600000000 ] - [ 0.0003924100000000, -0.0014997400000000, 0.0017419400000000 ] - [ -0.0010757600000000, 0.0024008300000000, -0.0012732400000000 ] - [ -0.0020000800000000, -0.0097336700000000, 0.0044841800000000 ] - [ -0.0001064300000000, -0.0006984800000000, 0.0009866300000000 ] - [ -0.0010078100000000, 0.0002202900000000, 0.0024986600000000 ] - [ -0.0003665000000000, 0.0008875600000000, -0.0066637600000000 ] - [ -0.0004832000000000, -0.0010124000000000, -0.0066604400000000 ] - [ 0.0004011600000000, -0.0003838900000000, -0.0072045100000000 ] - [ -0.0003835100000000, -0.0006475900000000, -0.0025958100000000 ] - [ -0.0004668000000000, 0.0006776100000000, 0.0008147400000000 ] - [ -0.0002671100000000, 0.0004273400000000, 0.0003068100000000 ] - [ -0.0017318200000000, -0.0003206000000000, 0.0065393900000000 ] - [ 0.0004708900000000, 0.0002953200000000, 0.0013704200000000 ] - [ -0.0011058800000000, -0.0016943700000000, -0.0003734200000000 ] - [ -0.0017398200000000, 0.0008751800000000, -0.0006973900000000 ] - [ -0.0023137700000000, -0.0004536900000000, 0.0028589400000000 ] - [ -0.0006203900000000, 0.0006671400000000, 0.0005693700000000 ] - [ 0.0010708700000000, 0.0012016700000000, -0.0019278800000000 ] - [ -0.0003192700000000, -0.0003342200000000, -0.0010189900000000 ] - [ -0.0003509400000000, 0.0000467400000000, 0.0024038700000000 ] - [ -0.0002882100000000, 0.0001424300000000, 0.0007277100000000 ] - [ -0.0024236700000000, 0.0035876700000000, -0.0009721600000000 ] - [ -0.0014961500000000, -0.0016921300000000, -0.0008651100000000 ] - [ 0.0009789700000000, 0.0010699700000000, 0.0011255900000000 ] - [ 0.0008848500000000, -0.0002821000000000, 0.0013660300000000 ] - [ -0.0007345600000000, -0.0003114300000000, 0.0031617600000000 ] - [ -0.0008236600000000, -0.0002893000000000, 0.0037491900000000 ] - [ 0.0034626800000000, 0.0032069400000000, -0.0014390600000000 ] - [ 0.0006789600000000, -0.0006090500000000, -0.0014820700000000 ] - [ -0.0004401400000000, 0.0001022600000000, 0.0015033500000000 ] - [ -0.0000998900000000, -0.0007639500000000, 0.0010843100000000 ] - [ 0.0009579100000000, -0.0009465900000000, 0.0029276000000000 ] - [ 0.0004895200000000, 0.0005871400000000, 0.0010274800000000 ] - [ 0.0001721200000000, -0.0010662300000000, 0.0007519700000000 ] - [ 0.0005635500000000, 0.0013790500000000, 0.0025378100000000 ] - [ 0.0000802900000000, 0.0000315400000000, -0.0018743700000000 ] - [ -0.0000997500000000, -0.0001277500000000, -0.0017748600000000 ] - [ 0.0000158100000000, -0.0013515900000000, 0.0022299100000000 ] - [ 0.0006776600000000, 0.0021578400000000, 0.0021993500000000 ] - [ 0.0003875600000000, 0.0000791900000000, -0.0007923100000000 ] - [ -0.0004867700000000, -0.0008191600000000, -0.0005152600000000 ]- atom: 55 displacement: [ 0.0004120271249244, 0.0000000000000000, -0.0099915080767783 ] forces: - [ -0.0054153100000000, -0.0001495300000000, -0.0023339200000000 ] - [ -0.0005824300000000, -0.0000187900000000, -0.0012555000000000 ] - [ 0.0003170600000000, 0.0003548000000000, 0.0031003400000000 ] - [ 0.0003488200000000, 0.0000764500000000, 0.0026232700000000 ] - [ 0.0001453700000000, -0.0005307700000000, -0.0060570700000000 ] - [ 0.0004087500000000, 0.0006098400000000, -0.0131202200000000 ] - [ -0.0001710700000000, 0.0009268800000000, -0.0103374500000000 ] - [ -0.0003963400000000, -0.0003545300000000, -0.0019499300000000 ] - [ 0.0022151000000000, -0.0051455700000000, -0.0016940200000000 ] - [ 0.0042304300000000, 0.0069745800000000, -0.0002813800000000 ] - [ 0.0011073500000000, 0.0004262100000000, 0.0026241500000000 ] - [ -0.0000064900000000, -0.0000940800000000, 0.0006590500000000 ] - [ -0.0005082700000000, 0.0001992800000000, 0.0033276900000000 ] - [ -0.0000317100000000, -0.0000644300000000, 0.0016761800000000 ] - [ -0.0008459100000000, 0.0017322100000000, 0.0020477800000000 ] - [ -0.0009124300000000, -0.0014442800000000, 0.0027506700000000 ] - [ -0.0006873100000000, -0.0010861600000000, 0.0093318400000000 ] - [ -0.0000834700000000, -0.0001499600000000, 0.0014366000000000 ] - [ 0.0001921400000000, 0.0010211000000000, -0.0006053400000000 ] - [ -0.0006377300000000, -0.0014774400000000, -0.0007044400000000 ] - [ 0.0002504100000000, -0.0007281900000000, 0.0017594800000000 ] - [ 0.0000567200000000, 0.0005028900000000, 0.0015445400000000 ] - [ 0.0002861800000000, -0.0067764200000000, -0.0418156300000000 ] - [ 0.0002649700000000, -0.0010568100000000, -0.0005685600000000 ] - [ -0.0014533400000000, -0.0029659500000000, 0.0029623300000000 ] - [ -0.0022675800000000, 0.0059816300000000, 0.0024086400000000 ] - [ 0.0011605900000000, 0.0020041200000000, 0.0006081900000000 ] - [ 0.0020890900000000, -0.0026575800000000, 0.0017873500000000 ] - [ -0.0023738000000000, 0.0007497800000000, 0.0020331600000000 ] - [ -0.0005544700000000, -0.0002377500000000, 0.0006542300000000 ] - [ 0.0053221300000000, 0.0007266200000000, 0.0027431100000000 ] - [ -0.0000176100000000, -0.0001146300000000, 0.0002674900000000 ] - [ -0.0011099600000000, 0.0035361500000000, -0.0040798200000000 ] - [ -0.0061124800000000, -0.0110882700000000, -0.0036912400000000 ] - [ -0.0005269800000000, -0.0002817400000000, -0.0043086700000000 ] - [ -0.0009223000000000, 0.0017668200000000, -0.0039169500000000 ] - [ 0.0007940100000000, -0.0007072500000000, 0.0070030800000000 ] - [ -0.0003624800000000, -0.0000871500000000, 0.0017027800000000 ] - [ 0.0004569600000000, -0.0015060100000000, 0.0038978100000000 ] - [ 0.0003504400000000, 0.0010563300000000, 0.0042699000000000 ] - [ 0.0070196500000000, 0.0012510900000000, -0.0045989300000000 ] - [ 0.0005640000000000, -0.0004858300000000, -0.0009497600000000 ] - [ -0.0000284200000000, 0.0003119900000000, 0.0012614200000000 ] - [ -0.0002534400000000, -0.0007727500000000, 0.0017076500000000 ] - [ 0.0441059800000000, 0.0554579600000000, -0.2390387200000000 ] - [ 0.0013387700000000, -0.0003017300000000, -0.0033712200000000 ] - [ -0.0013298200000000, -0.0006207000000000, 0.0046372400000000 ] - [ -0.0001242100000000, -0.0006523300000000, 0.0025032700000000 ] - [ 0.0086912900000000, 0.0040729500000000, -0.0011525500000000 ] - [ 0.0003979300000000, -0.0006178800000000, 0.0013200600000000 ] - [ -0.0017357300000000, 0.0015144500000000, 0.0011805600000000 ] - [ -0.0000627300000000, -0.0007861300000000, 0.0008109000000000 ] - [ -0.0078603200000000, 0.0011793200000000, -0.0025326000000000 ] - [ -0.0006370300000000, -0.0004539200000000, 0.0002760200000000 ] - [ -0.0583626700000000, -0.0663250300000000, 0.3574017600000000 ] - [ 0.0000444800000000, 0.0000913000000000, 0.0017888500000000 ] - [ 0.0078306300000000, 0.0132253800000000, -0.0067224900000000 ] - [ -0.0000626700000000, -0.0015005500000000, 0.0021719100000000 ] - [ 0.0008141300000000, -0.0000885700000000, -0.0059455800000000 ] - [ 0.0008321700000000, -0.0001529500000000, -0.0024645500000000 ] - [ 0.0154087800000000, -0.0090500100000000, -0.0254648400000000 ] - [ -0.0000345800000000, 0.0024528900000000, 0.0008723600000000 ] - [ 0.0001669100000000, 0.0001511900000000, -0.0009976900000000 ] - [ 0.0003483200000000, 0.0001654500000000, -0.0013604300000000 ] - [ 0.0005200200000000, -0.0002078300000000, -0.0006233300000000 ] - [ 0.0012090300000000, 0.0009494100000000, -0.0014141200000000 ] - [ -0.0112674800000000, 0.0084896900000000, -0.0246827000000000 ] - [ 0.0002064400000000, -0.0004532200000000, 0.0011931900000000 ] - [ -0.0001360700000000, -0.0004139300000000, -0.0011320900000000 ] - [ -0.0005937100000000, 0.0008212000000000, -0.0026922700000000 ] - [ -0.0012470000000000, -0.0021817400000000, -0.0057743700000000 ] - [ 0.0000300300000000, 0.0006211600000000, -0.0014410200000000 ] - [ 0.0001616500000000, -0.0031623300000000, 0.0005443800000000 ] - [ 0.0010896600000000, 0.0091355200000000, -0.0052850900000000 ] - [ 0.0003368600000000, 0.0000362100000000, -0.0012805400000000 ] - [ 0.0012335600000000, -0.0008763200000000, -0.0027839900000000 ] - [ -0.0008941600000000, -0.0007252800000000, 0.0078002600000000 ] - [ -0.0007974700000000, 0.0009641200000000, 0.0078115600000000 ] - [ -0.0008259300000000, -0.0001817400000000, 0.0056549600000000 ] - [ -0.0001159100000000, 0.0000747500000000, 0.0010202200000000 ] - [ -0.0001622500000000, 0.0003392100000000, -0.0011894000000000 ] - [ -0.0003610600000000, 0.0005891000000000, -0.0006784500000000 ] - [ 0.0027021300000000, 0.0010720400000000, -0.0058489000000000 ] - [ 0.0004555500000000, 0.0004355800000000, -0.0006086400000000 ] - [ 0.0017349900000000, 0.0006773900000000, 0.0007289500000000 ] - [ 0.0023572000000000, -0.0018900100000000, 0.0010477200000000 ] - [ 0.0018137800000000, 0.0006936100000000, -0.0032651800000000 ] - [ 0.0001218000000000, -0.0004143400000000, -0.0009691500000000 ] - [ -0.0013105800000000, -0.0005490400000000, 0.0021922000000000 ] - [ 0.0000836800000000, 0.0009920900000000, 0.0012954800000000 ] - [ -0.0001557200000000, 0.0005258800000000, -0.0039988800000000 ] - [ -0.0002151600000000, 0.0004324100000000, -0.0023143500000000 ] - [ 0.0020244100000000, -0.0027293800000000, 0.0007027400000000 ] - [ 0.0010765000000000, 0.0025836900000000, 0.0005889000000000 ] - [ -0.0003573500000000, -0.0000599200000000, -0.0007564100000000 ] - [ -0.0002599300000000, 0.0013059500000000, -0.0009990500000000 ] - [ -0.0004779600000000, 0.0002404400000000, -0.0020576300000000 ] - [ -0.0003874400000000, 0.0002313100000000, -0.0026511600000000 ] - [ -0.0032382500000000, -0.0025533800000000, 0.0011926300000000 ] - [ -0.0004370000000000, 0.0012487700000000, 0.0012383900000000 ] - [ 0.0002144900000000, -0.0007680900000000, -0.0012180200000000 ] - [ -0.0001325200000000, 0.0001087400000000, -0.0007975200000000 ] - [ -0.0006425500000000, 0.0009445100000000, -0.0029101100000000 ] - [ -0.0001757600000000, -0.0005777500000000, -0.0010169000000000 ] - [ -0.0005966000000000, 0.0001754800000000, -0.0010638800000000 ] - [ -0.0009849900000000, -0.0022597600000000, -0.0028468000000000 ] - [ 0.0004100900000000, -0.0005868300000000, 0.0034557000000000 ] - [ 0.0005995700000000, -0.0004467800000000, 0.0033574800000000 ] - [ -0.0009458300000000, 0.0020780700000000, -0.0030028500000000 ] - [ -0.0015984400000000, -0.0014170100000000, -0.0029647100000000 ] - [ -0.0010170200000000, -0.0010997000000000, 0.0004510500000000 ] - [ -0.0001357900000000, -0.0001999000000000, 0.0001595500000000 ]- atom: 61 displacement: [ 0.0099999999631191, 0.0000000000000000, -0.0000008588465536 ] forces: - [ -0.0072851300000000, -0.0061490700000000, -0.0011553600000000 ] - [ -0.0003108600000000, 0.0016735600000000, -0.0006863700000000 ] - [ 0.0012208700000000, -0.0003674400000000, 0.0006965900000000 ] - [ 0.0014891600000000, 0.0007778000000000, 0.0007050200000000 ] - [ 0.0010300100000000, 0.0002300500000000, -0.0003480500000000 ] - [ 0.0073281400000000, 0.0004112600000000, -0.0028574200000000 ] - [ -0.0043995100000000, 0.0000443700000000, 0.0024495700000000 ] - [ -0.0010618500000000, -0.0000414800000000, -0.0000224500000000 ] - [ 0.0007454800000000, 0.0047019900000000, -0.0004791800000000 ] - [ -0.0043035100000000, -0.0071861000000000, -0.0004816700000000 ] - [ -0.0001163500000000, -0.0000567800000000, 0.0000156300000000 ] - [ -0.0001849900000000, 0.0000833200000000, -0.0002079200000000 ] - [ -0.0009881700000000, 0.0000007300000000, -0.0005002600000000 ] - [ -0.0004535800000000, 0.0001041300000000, -0.0001445100000000 ] - [ -0.0000024100000000, 0.0001111800000000, -0.0001732700000000 ] - [ 0.0000262600000000, -0.0001666000000000, -0.0002281500000000 ] - [ 0.0091557600000000, -0.0004151300000000, -0.0032179600000000 ] - [ 0.0009063600000000, -0.0001384000000000, 0.0003585800000000 ] - [ -0.0002707900000000, -0.0001590200000000, 0.0002315600000000 ] - [ -0.0006587200000000, 0.0002932500000000, -0.0005001000000000 ] - [ -0.0012054900000000, -0.0003638800000000, 0.0001525600000000 ] - [ -0.0023418600000000, 0.0005502600000000, 0.0017921700000000 ] - [ 0.0006217900000000, 0.0001959600000000, 0.0029640900000000 ] - [ 0.0003514100000000, 0.0000335300000000, 0.0004359200000000 ] - [ 0.0015158700000000, -0.0012848600000000, -0.0005287400000000 ] - [ 0.0112695000000000, -0.0033866900000000, -0.0028251700000000 ] - [ 0.0006410400000000, -0.0000565400000000, -0.0002309500000000 ] - [ 0.0007300500000000, -0.0000896200000000, -0.0003186600000000 ] - [ -0.0010059200000000, 0.0001252300000000, 0.0004398700000000 ] - [ -0.0005238300000000, 0.0001071400000000, 0.0003552800000000 ] - [ -0.0068743200000000, -0.0012738200000000, -0.0027631500000000 ] - [ -0.0009574500000000, 0.0001161900000000, 0.0002315100000000 ] - [ -0.0005479800000000, 0.0007114400000000, 0.0018540500000000 ] - [ -0.0009559000000000, -0.0009040400000000, 0.0025397700000000 ] - [ -0.0024711900000000, 0.0007904900000000, -0.0000733900000000 ] - [ -0.0085270700000000, 0.0003534600000000, -0.0040278100000000 ] - [ 0.0009232300000000, -0.0002588100000000, -0.0006198500000000 ] - [ 0.0004299400000000, 0.0002197900000000, -0.0005832700000000 ] - [ 0.0000585900000000, 0.0011489100000000, -0.0003138700000000 ] - [ -0.0008471500000000, -0.0010249700000000, -0.0011895400000000 ] - [ 0.0017914000000000, -0.0020103000000000, -0.0032242600000000 ] - [ 0.0001415700000000, 0.0008650400000000, 0.0005383200000000 ] - [ -0.0006160200000000, -0.0005160400000000, -0.0007636600000000 ] - [ -0.0006174600000000, -0.0002071900000000, -0.0005128500000000 ] - [ 0.0780075700000000, -0.0601579200000000, -0.0383770800000000 ] - [ 0.0019339800000000, 0.0002695700000000, -0.0004923900000000 ] - [ -0.0023777900000000, -0.0015461200000000, 0.0040633600000000 ] - [ -0.0004115600000000, 0.0001227900000000, 0.0013751100000000 ] - [ 0.0010807800000000, 0.0004035000000000, -0.0006910500000000 ] - [ 0.0004863300000000, -0.0003697600000000, -0.0002548900000000 ] - [ 0.0042593800000000, -0.0018640400000000, 0.0002287300000000 ] - [ 0.0060699200000000, -0.0004771900000000, 0.0000632000000000 ] - [ -0.0016212600000000, 0.0000356500000000, 0.0008242800000000 ] - [ -0.0004735500000000, -0.0002835100000000, -0.0000731700000000 ] - [ -0.0008066900000000, -0.0063698400000000, -0.0159639200000000 ] - [ -0.0000676700000000, -0.0002332700000000, -0.0003341200000000 ] - [ -0.0088266400000000, 0.0048475300000000, 0.0010434500000000 ] - [ -0.0040369400000000, -0.0024118500000000, 0.0006958600000000 ] - [ -0.0001351800000000, -0.0001427600000000, 0.0008571800000000 ] - [ 0.0002552900000000, -0.0000327500000000, -0.0003888700000000 ] - [ -0.1223927500000000, 0.1047213800000000, 0.0575594100000000 ] - [ -0.0005718000000000, 0.0002662100000000, 0.0000581200000000 ] - [ 0.0005616600000000, 0.0003409000000000, 0.0007925900000000 ] - [ 0.0009588200000000, 0.0002864300000000, 0.0003044800000000 ] - [ 0.0004843000000000, 0.0001151200000000, 0.0001206900000000 ] - [ 0.0006736500000000, 0.0001729600000000, 0.0000685400000000 ] - [ 0.0277562600000000, -0.0271780700000000, 0.0006192300000000 ] - [ -0.0001724500000000, 0.0001907400000000, 0.0001618900000000 ] - [ -0.0003830500000000, 0.0000425500000000, -0.0001207500000000 ] - [ -0.0006923200000000, 0.0002101100000000, -0.0001830200000000 ] - [ -0.0003228400000000, -0.0005492700000000, -0.0000913600000000 ] - [ -0.0000311900000000, -0.0004729700000000, 0.0000333100000000 ] - [ -0.0008057900000000, -0.0007124700000000, -0.0008323800000000 ] - [ -0.0011035200000000, 0.0001632900000000, -0.0010239400000000 ] - [ -0.0000053100000000, -0.0001418300000000, -0.0003843500000000 ] - [ 0.0012021000000000, -0.0006922500000000, -0.0048689900000000 ] - [ -0.0004746800000000, -0.0015313900000000, -0.0007288600000000 ] - [ 0.0001225300000000, 0.0015284300000000, -0.0016474000000000 ] - [ 0.0018030400000000, 0.0014433700000000, 0.0072560900000000 ] - [ -0.0003234200000000, -0.0005636100000000, -0.0005319400000000 ] - [ 0.0020675600000000, 0.0009757900000000, -0.0010860400000000 ] - [ 0.0002396100000000, 0.0002604600000000, -0.0002470100000000 ] - [ 0.0005463900000000, 0.0004767300000000, 0.0000629500000000 ] - [ 0.0003760600000000, 0.0003193100000000, 0.0003015000000000 ] - [ 0.0014922200000000, 0.0001702100000000, 0.0004792400000000 ] - [ 0.0144546200000000, -0.0078022500000000, 0.0009756600000000 ] - [ 0.0000351900000000, 0.0045542800000000, -0.0052156000000000 ] - [ -0.0007447800000000, -0.0011668800000000, -0.0010284500000000 ] - [ 0.0051359400000000, 0.0016106600000000, 0.0002970200000000 ] - [ 0.0006709500000000, -0.0000056500000000, 0.0000532300000000 ] - [ 0.0000697100000000, 0.0008350400000000, -0.0025444700000000 ] - [ -0.0001241000000000, 0.0001212900000000, -0.0012388100000000 ] - [ 0.0003104100000000, 0.0002216700000000, -0.0006973000000000 ] - [ 0.0003127800000000, 0.0007521800000000, -0.0006403700000000 ] - [ 0.0004041600000000, 0.0006423000000000, 0.0001695500000000 ] - [ 0.0004161100000000, 0.0004595300000000, 0.0001990300000000 ] - [ -0.0007079400000000, -0.0002576200000000, 0.0009375000000000 ] - [ -0.0006882700000000, 0.0000877300000000, 0.0013252800000000 ] - [ -0.0007923900000000, 0.0010574900000000, 0.0003602500000000 ] - [ 0.0001645600000000, -0.0002537600000000, 0.0003738500000000 ] - [ 0.0002976200000000, -0.0003303200000000, 0.0002253800000000 ] - [ 0.0001398400000000, -0.0004646300000000, 0.0000886100000000 ] - [ 0.0009083800000000, -0.0006013900000000, 0.0013955400000000 ] - [ 0.0007508800000000, 0.0005083700000000, 0.0001544300000000 ] - [ 0.0000628800000000, -0.0008081800000000, 0.0001788200000000 ] - [ 0.0012388900000000, 0.0006793200000000, 0.0019492600000000 ] - [ 0.0014681400000000, -0.0000554300000000, 0.0007879700000000 ] - [ 0.0019939700000000, -0.0009461200000000, 0.0021624400000000 ] - [ -0.0016748200000000, -0.0004996600000000, 0.0003673300000000 ] - [ -0.0018141500000000, 0.0030580000000000, 0.0028125900000000 ] - [ 0.0005730800000000, 0.0000671600000000, 0.0011407600000000 ] - [ -0.0000516700000000, -0.0006875600000000, -0.0000198300000000 ]- atom: 61 displacement: [ -0.0099999999631191, 0.0000000000000000, 0.0000008588465536 ] forces: - [ 0.0065883600000000, 0.0060462300000000, 0.0005002700000000 ] - [ -0.0000508600000000, -0.0016571100000000, 0.0000618100000000 ] - [ -0.0008936100000000, 0.0004668100000000, -0.0008172600000000 ] - [ -0.0011621200000000, -0.0006794400000000, -0.0008253200000000 ] - [ -0.0007073200000000, -0.0003491300000000, 0.0002001900000000 ] - [ -0.0070394200000000, -0.0004754800000000, 0.0027001300000000 ] - [ 0.0040861600000000, -0.0001439900000000, -0.0023027700000000 ] - [ 0.0007368800000000, -0.0000634400000000, 0.0001490000000000 ] - [ -0.0005859500000000, -0.0046189800000000, -0.0001505600000000 ] - [ 0.0046551700000000, 0.0073523500000000, -0.0001475200000000 ] - [ -0.0002301500000000, 0.0000272900000000, -0.0006550200000000 ] - [ -0.0001624400000000, -0.0001097300000000, -0.0004295700000000 ] - [ 0.0006612800000000, 0.0000997600000000, 0.0006164400000000 ] - [ 0.0001198900000000, -0.0000080600000000, 0.0002624700000000 ] - [ 0.0001348300000000, -0.0001839500000000, -0.0004648400000000 ] - [ 0.0001060600000000, 0.0000957100000000, -0.0004111700000000 ] - [ -0.0092522700000000, 0.0002973600000000, 0.0039542800000000 ] - [ -0.0010343800000000, 0.0000688200000000, 0.0002801500000000 ] - [ 0.0006146600000000, 0.0001887800000000, 0.0004081600000000 ] - [ 0.0010045100000000, -0.0002647100000000, 0.0011432100000000 ] - [ 0.0015484300000000, 0.0003447700000000, 0.0004695600000000 ] - [ 0.0026912300000000, -0.0005845400000000, -0.0011695500000000 ] - [ -0.0007550400000000, -0.0001261200000000, -0.0023518900000000 ] - [ -0.0004817000000000, 0.0000384700000000, 0.0001988500000000 ] - [ -0.0010795900000000, 0.0014710300000000, 0.0001167400000000 ] - [ -0.0108705000000000, 0.0038914200000000, 0.0025717000000000 ] - [ -0.0001858800000000, -0.0001555200000000, -0.0002169300000000 ] - [ -0.0002729300000000, -0.0001213300000000, -0.0001283600000000 ] - [ 0.0005492300000000, 0.0000876000000000, 0.0000025600000000 ] - [ 0.0000660500000000, 0.0001044200000000, 0.0000886100000000 ] - [ 0.0064137900000000, 0.0010730400000000, 0.0031914900000000 ] - [ 0.0005104300000000, -0.0003261000000000, 0.0002065200000000 ] - [ 0.0003711300000000, -0.0009995900000000, -0.0007304800000000 ] - [ 0.0007820600000000, 0.0006287800000000, -0.0014114200000000 ] - [ 0.0020660000000000, -0.0000240300000000, -0.0016328800000000 ] - [ 0.0081447900000000, 0.0003862400000000, 0.0023419500000000 ] - [ -0.0007408800000000, 0.0005461600000000, -0.0005079200000000 ] - [ -0.0002481200000000, 0.0000673200000000, -0.0005415600000000 ] - [ -0.0002302600000000, -0.0008613600000000, 0.0014353900000000 ] - [ 0.0006880300000000, 0.0012983100000000, 0.0023160600000000 ] - [ -0.0014029100000000, 0.0027701100000000, 0.0049485800000000 ] - [ 0.0002533700000000, -0.0001153700000000, 0.0011705500000000 ] - [ 0.0002148000000000, -0.0002315000000000, -0.0009476100000000 ] - [ 0.0002168900000000, -0.0005449600000000, -0.0012051400000000 ] - [ -0.0772936600000000, 0.0576140700000000, 0.0358335600000000 ] - [ -0.0017154900000000, -0.0005430400000000, -0.0006320900000000 ] - [ 0.0027587800000000, 0.0008056200000000, -0.0023666400000000 ] - [ 0.0008067100000000, -0.0008731000000000, 0.0003345300000000 ] - [ -0.0007971500000000, -0.0004245800000000, 0.0007142500000000 ] - [ -0.0001959100000000, 0.0003541900000000, 0.0002790200000000 ] - [ -0.0037798100000000, 0.0015992300000000, 0.0001593600000000 ] - [ -0.0055963400000000, 0.0002452600000000, 0.0003252700000000 ] - [ 0.0011553700000000, -0.0002843400000000, -0.0012117200000000 ] - [ 0.0000020300000000, 0.0000363100000000, -0.0003118000000000 ] - [ 0.0019217300000000, 0.0064209800000000, 0.0148288500000000 ] - [ 0.0012779800000000, 0.0003006800000000, -0.0007766000000000 ] - [ 0.0085212200000000, -0.0046638000000000, -0.0010093100000000 ] - [ 0.0037582500000000, 0.0023296200000000, -0.0007103700000000 ] - [ 0.0013540200000000, 0.0000812500000000, -0.0019728300000000 ] - [ 0.0009629700000000, -0.0000331100000000, -0.0007250500000000 ] - [ 0.1222730100000000, -0.1015413800000000, -0.0561321900000000 ] - [ 0.0010030200000000, 0.0006457200000000, 0.0002338200000000 ] - [ -0.0001004900000000, 0.0002560500000000, 0.0008200900000000 ] - [ -0.0005001500000000, 0.0003172800000000, 0.0013209600000000 ] - [ -0.0000110700000000, 0.0001336100000000, 0.0002671700000000 ] - [ -0.0002014500000000, 0.0000750900000000, 0.0003179000000000 ] - [ -0.0263784300000000, 0.0259447000000000, 0.0001680800000000 ] - [ 0.0010925800000000, -0.0009213800000000, 0.0005976400000000 ] - [ 0.0000888800000000, -0.0000236800000000, 0.0000984400000000 ] - [ 0.0004001400000000, -0.0001921700000000, 0.0001594100000000 ] - [ 0.0007611700000000, -0.0003486700000000, 0.0003924200000000 ] - [ 0.0004685300000000, -0.0004250200000000, 0.0002677700000000 ] - [ -0.0001302000000000, -0.0000238700000000, 0.0000743100000000 ] - [ 0.0001651300000000, -0.0009060500000000, 0.0002635700000000 ] - [ 0.0002574600000000, -0.0005254500000000, 0.0001042900000000 ] - [ -0.0009423600000000, 0.0000300000000000, 0.0046129200000000 ] - [ -0.0007577100000000, 0.0015995000000000, 0.0018369100000000 ] - [ -0.0013509100000000, -0.0014645200000000, 0.0027462200000000 ] - [ -0.0022597400000000, -0.0020512800000000, -0.0089329300000000 ] - [ -0.0001300800000000, -0.0000309300000000, -0.0010780500000000 ] - [ -0.0026870900000000, 0.0000420600000000, 0.0007556200000000 ] - [ -0.0008588300000000, 0.0007610500000000, -0.0001006700000000 ] - [ 0.0003832700000000, 0.0002606100000000, 0.0006983300000000 ] - [ 0.0005582600000000, 0.0004185300000000, 0.0004617200000000 ] - [ -0.0008526900000000, -0.0012000000000000, -0.0001280500000000 ] - [ -0.0139748200000000, 0.0068965800000000, -0.0006094400000000 ] - [ -0.0004727000000000, -0.0043286800000000, 0.0048422500000000 ] - [ 0.0002779300000000, 0.0014172200000000, 0.0006427800000000 ] - [ -0.0053983500000000, -0.0009355900000000, -0.0000262400000000 ] - [ -0.0009195300000000, 0.0006713400000000, 0.0002246700000000 ] - [ -0.0005254000000000, -0.0002354700000000, 0.0009321100000000 ] - [ -0.0003347400000000, 0.0004799900000000, -0.0003748100000000 ] - [ -0.0007523100000000, 0.0006761200000000, 0.0003994000000000 ] - [ -0.0007498400000000, 0.0001481200000000, 0.0003370700000000 ] - [ 0.0002204000000000, 0.0003774000000000, 0.0001853500000000 ] - [ 0.0002083600000000, 0.0005602400000000, 0.0001537800000000 ] - [ -0.0005132500000000, 0.0001933600000000, 0.0001773000000000 ] - [ -0.0005333500000000, -0.0001491500000000, -0.0002160500000000 ] - [ 0.0010497500000000, -0.0003936400000000, -0.0006362100000000 ] - [ 0.0000915400000000, 0.0009143000000000, -0.0006488100000000 ] - [ -0.0005465700000000, -0.0003392500000000, 0.0000567800000000 ] - [ -0.0003885200000000, -0.0002040100000000, 0.0001924900000000 ] - [ -0.0006203600000000, 0.0006181300000000, -0.0013638400000000 ] - [ -0.0004650700000000, -0.0004884100000000, -0.0001265200000000 ] - [ -0.0005037400000000, -0.0000915600000000, -0.0004754400000000 ] - [ -0.0016863500000000, -0.0015726500000000, -0.0022328900000000 ] - [ -0.0010098600000000, -0.0005532900000000, 0.0008169700000000 ] - [ -0.0015380600000000, 0.0003521300000000, -0.0005648200000000 ] - [ 0.0007315400000000, 0.0012384400000000, -0.0011345900000000 ] - [ 0.0008499800000000, -0.0023333700000000, -0.0035920300000000 ] - [ -0.0011972600000000, -0.0010879700000000, -0.0014979900000000 ] - [ -0.0005680800000000, -0.0003316500000000, -0.0003323200000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0048980800000000, 0.0079566400000000, 0.0002864400000000 ] - [ 0.0017738200000000, -0.0036380000000000, -0.0001316700000000 ] - [ 0.0000210100000000, -0.0007506000000000, 0.0007861000000000 ] - [ 0.0007244200000000, 0.0000626600000000, -0.0019572200000000 ] - [ -0.0006341000000000, -0.0054814000000000, -0.0039022300000000 ] - [ 0.0013971000000000, 0.0055016200000000, 0.0072102600000000 ] - [ 0.0021541000000000, 0.0008014100000000, -0.0016577000000000 ] - [ -0.0006338000000000, -0.0015198200000000, 0.0006775600000000 ] - [ 0.0026791800000000, -0.0051132800000000, 0.0008571700000000 ] - [ -0.0090269200000000, 0.0020244100000000, 0.0005075500000000 ] - [ -0.0002475300000000, 0.0004363800000000, -0.0005360400000000 ] - [ -0.0000979900000000, -0.0004670900000000, -0.0004837900000000 ] - [ -0.0000938400000000, 0.0012073600000000, 0.0000908000000000 ] - [ -0.0002567500000000, -0.0009827600000000, -0.0002710500000000 ] - [ 0.0001343900000000, -0.0003944800000000, -0.0005617500000000 ] - [ 0.0000491500000000, 0.0002136700000000, -0.0007655600000000 ] - [ -0.0013855000000000, 0.0078326800000000, 0.0042883500000000 ] - [ -0.0004280600000000, -0.0034736000000000, -0.0004439400000000 ] - [ 0.0001616400000000, -0.0006514500000000, -0.0001998500000000 ] - [ 0.0003228000000000, 0.0008269300000000, 0.0006876800000000 ] - [ 0.0000029800000000, -0.0009799200000000, 0.0012354100000000 ] - [ 0.0008114500000000, 0.0006699000000000, -0.0010748200000000 ] - [ -0.0001129100000000, 0.0005453200000000, -0.0020978600000000 ] - [ -0.0002477400000000, -0.0007420800000000, 0.0009297600000000 ] - [ -0.0015686300000000, -0.0048227300000000, 0.0041451700000000 ] - [ -0.0043708900000000, 0.0176479600000000, 0.0063112800000000 ] - [ 0.0001392500000000, -0.0006560500000000, -0.0007258200000000 ] - [ 0.0001923700000000, 0.0004981500000000, 0.0001071800000000 ] - [ -0.0001594700000000, 0.0005689400000000, -0.0001637800000000 ] - [ -0.0001541800000000, -0.0003912800000000, 0.0001421700000000 ] - [ 0.0027484400000000, 0.0020147600000000, 0.0027335000000000 ] - [ -0.0006433100000000, -0.0018231300000000, 0.0000053600000000 ] - [ 0.0003551500000000, -0.0017812300000000, -0.0013338700000000 ] - [ -0.0005485000000000, 0.0023086500000000, 0.0023643100000000 ] - [ -0.0007666700000000, -0.0017011300000000, -0.0018042500000000 ] - [ 0.0032304200000000, 0.0034072800000000, 0.0025614200000000 ] - [ -0.0000543100000000, 0.0013594000000000, -0.0002284400000000 ] - [ 0.0001722300000000, -0.0006974800000000, -0.0013365100000000 ] - [ 0.0011174600000000, -0.0010844000000000, 0.0017324500000000 ] - [ -0.0055037900000000, 0.0021762900000000, -0.0025226300000000 ] - [ -0.0003156200000000, 0.0012873600000000, -0.0004038000000000 ] - [ 0.0006073600000000, -0.0013139300000000, 0.0011916500000000 ] - [ -0.0002885900000000, -0.0005175600000000, -0.0009020800000000 ] - [ -0.0001522300000000, -0.0003146600000000, -0.0013159100000000 ] - [ -0.0561596400000000, 0.1297253000000000, 0.0546958500000000 ] - [ -0.0047821300000000, -0.0100267000000000, -0.0000582400000000 ] - [ -0.0008663300000000, 0.0057518500000000, 0.0029091500000000 ] - [ 0.0010337300000000, -0.0027431100000000, -0.0003324900000000 ] - [ -0.0000838400000000, -0.0015508600000000, 0.0002231700000000 ] - [ -0.0000571800000000, 0.0011683800000000, 0.0002688200000000 ] - [ -0.0014137000000000, 0.0012853100000000, -0.0000025700000000 ] - [ 0.0009069100000000, 0.0006585100000000, -0.0000028100000000 ] - [ -0.0002653600000000, -0.0011932000000000, 0.0001665300000000 ] - [ -0.0000255900000000, 0.0008629400000000, -0.0001690000000000 ] - [ -0.0038955600000000, -0.0038981500000000, 0.0088905100000000 ] - [ 0.0014319800000000, 0.0031769400000000, -0.0025412900000000 ] - [ -0.0015237100000000, 0.0325596000000000, 0.0106128300000000 ] - [ 0.0006416900000000, 0.0233338500000000, -0.0054849500000000 ] - [ 0.0007030300000000, -0.0004536500000000, -0.0022766200000000 ] - [ 0.0006265100000000, 0.0008481000000000, 0.0005123600000000 ] - [ 0.1015469500000000, -0.2239339800000000, -0.0907894000000000 ] - [ 0.0000276700000000, 0.0082526500000000, 0.0007068000000000 ] - [ 0.0002652200000000, 0.0006904200000000, 0.0006886200000000 ] - [ 0.0001425200000000, -0.0001024500000000, 0.0013427800000000 ] - [ 0.0002472500000000, 0.0004365100000000, 0.0002914300000000 ] - [ 0.0001989700000000, -0.0002458000000000, 0.0004802800000000 ] - [ -0.0211136500000000, 0.0044220500000000, -0.0000299300000000 ] - [ 0.0019874100000000, 0.0026869600000000, 0.0005799700000000 ] - [ -0.0002418700000000, 0.0006541100000000, 0.0001492000000000 ] - [ -0.0000409000000000, -0.0007905600000000, 0.0002147100000000 ] - [ 0.0003163800000000, -0.0005235800000000, 0.0002980600000000 ] - [ 0.0002397500000000, -0.0002584700000000, 0.0003596400000000 ] - [ -0.0004951500000000, 0.0003739600000000, 0.0003547400000000 ] - [ -0.0001004200000000, -0.0013923300000000, -0.0009542400000000 ] - [ 0.0003357800000000, 0.0016473500000000, -0.0003288600000000 ] - [ -0.0019374400000000, -0.0034687600000000, 0.0028343200000000 ] - [ -0.0019566200000000, 0.0016188400000000, 0.0026331900000000 ] - [ 0.0009274600000000, -0.0005317300000000, -0.0025505800000000 ] - [ 0.0003228600000000, -0.0032433800000000, 0.0008109100000000 ] - [ -0.0001864900000000, 0.0016156500000000, -0.0012753500000000 ] - [ 0.0000194900000000, -0.0013815900000000, -0.0008050300000000 ] - [ -0.0006311800000000, 0.0017573900000000, 0.0000068700000000 ] - [ 0.0002813800000000, -0.0001868600000000, 0.0005863300000000 ] - [ 0.0005794900000000, 0.0008009300000000, 0.0006135000000000 ] - [ 0.0016360500000000, 0.0015951500000000, -0.0000772900000000 ] - [ -0.0094133100000000, -0.0000067700000000, -0.0005254800000000 ] - [ 0.0037893800000000, 0.0006628700000000, -0.0060508000000000 ] - [ -0.0015529700000000, 0.0028010000000000, 0.0016553900000000 ] - [ -0.0016727700000000, -0.0031972400000000, -0.0001942100000000 ] - [ 0.0002379700000000, 0.0023523600000000, 0.0001745300000000 ] - [ 0.0001777200000000, -0.0007947400000000, -0.0018109500000000 ] - [ -0.0005774000000000, 0.0008482700000000, -0.0001163300000000 ] - [ -0.0005178200000000, 0.0005071000000000, 0.0006593700000000 ] - [ 0.0000116500000000, 0.0005017000000000, -0.0007770600000000 ] - [ 0.0003891400000000, 0.0007049800000000, 0.0003800900000000 ] - [ 0.0002759300000000, 0.0003118100000000, 0.0002416000000000 ] - [ -0.0008180000000000, 0.0005610300000000, -0.0000763200000000 ] - [ 0.0001893900000000, -0.0009927400000000, 0.0024081600000000 ] - [ 0.0007894400000000, 0.0000714800000000, 0.0010037500000000 ] - [ -0.0009344700000000, 0.0018125000000000, -0.0015827100000000 ] - [ -0.0000999200000000, -0.0004355200000000, 0.0002654300000000 ] - [ -0.0001018600000000, -0.0002054200000000, 0.0002936400000000 ] - [ -0.0004111200000000, 0.0000976100000000, -0.0011107600000000 ] - [ 0.0016971900000000, 0.0007714000000000, 0.0007857000000000 ] - [ -0.0005729800000000, 0.0009851900000000, -0.0003190900000000 ] - [ 0.0009102100000000, -0.0031347000000000, -0.0002664600000000 ] - [ 0.0002057900000000, 0.0003289100000000, 0.0013097600000000 ] - [ -0.0002945100000000, -0.0005277000000000, -0.0005987500000000 ] - [ -0.0013009300000000, 0.0019901100000000, -0.0023602600000000 ] - [ 0.0054147100000000, 0.0047364000000000, 0.0091057600000000 ] - [ -0.0000768900000000, -0.0007710700000000, 0.0002684300000000 ] - [ -0.0005905900000000, -0.0000261300000000, -0.0003453000000000 ]- atom: 61 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0044646500000000, -0.0080137600000000, -0.0009287700000000 ] - [ -0.0020907900000000, 0.0036676600000000, -0.0005005000000000 ] - [ 0.0003171000000000, 0.0008383200000000, -0.0008988700000000 ] - [ -0.0003823400000000, 0.0000412000000000, 0.0018427100000000 ] - [ 0.0009749700000000, 0.0053922600000000, 0.0038219300000000 ] - [ -0.0010816400000000, -0.0054861300000000, -0.0074311400000000 ] - [ -0.0024779700000000, -0.0009039700000000, 0.0017726700000000 ] - [ 0.0002910900000000, 0.0014266400000000, -0.0005606200000000 ] - [ -0.0025741600000000, 0.0051919400000000, -0.0015148300000000 ] - [ 0.0092415900000000, -0.0018423600000000, -0.0011508800000000 ] - [ -0.0000913500000000, -0.0004690900000000, -0.0000947800000000 ] - [ -0.0002398300000000, 0.0004352700000000, -0.0001456100000000 ] - [ -0.0002436800000000, -0.0011108000000000, 0.0000227300000000 ] - [ -0.0000830500000000, 0.0010762400000000, 0.0003811900000000 ] - [ 0.0000029800000000, 0.0002987000000000, -0.0000869700000000 ] - [ 0.0000888600000000, -0.0003026500000000, 0.0001125500000000 ] - [ 0.0012885900000000, -0.0079632700000000, -0.0035560200000000 ] - [ 0.0002862700000000, 0.0033782800000000, 0.0010779000000000 ] - [ 0.0001790700000000, 0.0006759300000000, 0.0008307100000000 ] - [ 0.0000161100000000, -0.0007881700000000, -0.0000592700000000 ] - [ 0.0003362300000000, 0.0009427000000000, -0.0006108900000000 ] - [ -0.0004761600000000, -0.0006956600000000, 0.0017043700000000 ] - [ -0.0000251000000000, -0.0004602500000000, 0.0027219000000000 ] - [ 0.0001072100000000, 0.0008355700000000, -0.0002714100000000 ] - [ 0.0020325400000000, 0.0050249200000000, -0.0046182900000000 ] - [ 0.0041625800000000, -0.0163607800000000, -0.0058775100000000 ] - [ 0.0003091500000000, 0.0004412400000000, 0.0002932200000000 ] - [ 0.0002548200000000, -0.0007009800000000, -0.0005434100000000 ] - [ -0.0002895600000000, -0.0003597000000000, 0.0005979300000000 ] - [ -0.0002920600000000, 0.0005996300000000, 0.0002927600000000 ] - [ -0.0031868500000000, -0.0022102700000000, -0.0022930000000000 ] - [ 0.0001951700000000, 0.0016203500000000, 0.0004254300000000 ] - [ -0.0005511800000000, 0.0014845100000000, 0.0024662600000000 ] - [ 0.0003589500000000, -0.0025787700000000, -0.0012354800000000 ] - [ 0.0003646500000000, 0.0024351000000000, 0.0001151900000000 ] - [ -0.0036603300000000, -0.0026543100000000, -0.0042569400000000 ] - [ 0.0002457500000000, -0.0010733100000000, -0.0008984000000000 ] - [ 0.0000201600000000, 0.0009811800000000, 0.0002076200000000 ] - [ -0.0013132100000000, 0.0013585000000000, -0.0006097300000000 ] - [ 0.0053038200000000, -0.0018815200000000, 0.0036525100000000 ] - [ 0.0007331800000000, -0.0005623800000000, 0.0020811000000000 ] - [ -0.0001910200000000, 0.0020674800000000, 0.0005133200000000 ] - [ -0.0001245500000000, -0.0002314600000000, -0.0007898300000000 ] - [ -0.0002606700000000, -0.0004275600000000, -0.0003763400000000 ] - [ 0.0605233400000000, -0.1353706000000000, -0.0599736200000000 ] - [ 0.0049359700000000, 0.0097300900000000, -0.0010631800000000 ] - [ 0.0012670000000000, -0.0065134800000000, -0.0012056000000000 ] - [ -0.0006160800000000, 0.0019932400000000, 0.0020169600000000 ] - [ 0.0003825800000000, 0.0015381000000000, -0.0002022200000000 ] - [ 0.0003624600000000, -0.0011713500000000, -0.0002513200000000 ] - [ 0.0019012100000000, -0.0015280600000000, 0.0003898800000000 ] - [ -0.0003959500000000, -0.0009126300000000, 0.0003882000000000 ] - [ -0.0002268600000000, 0.0009367600000000, -0.0005450100000000 ] - [ -0.0004695500000000, -0.0011187300000000, -0.0002228800000000 ] - [ 0.0050742000000000, 0.0040856900000000, -0.0098783300000000 ] - [ -0.0002010700000000, -0.0031070600000000, 0.0014129700000000 ] - [ 0.0012310200000000, -0.0332491200000000, -0.0108712400000000 ] - [ -0.0009762200000000, -0.0230075200000000, 0.0053686400000000 ] - [ 0.0005091100000000, 0.0003899000000000, 0.0011623300000000 ] - [ 0.0005856500000000, -0.0009125100000000, -0.0016125000000000 ] - [ -0.1047690100000000, 0.2291840900000000, 0.0945479000000000 ] - [ 0.0004089200000000, -0.0073579400000000, -0.0003905900000000 ] - [ 0.0002210800000000, -0.0001045500000000, 0.0009103300000000 ] - [ 0.0003449800000000, 0.0006849700000000, 0.0002553500000000 ] - [ 0.0002474200000000, -0.0001806900000000, 0.0000934900000000 ] - [ 0.0002948000000000, 0.0004969500000000, -0.0000936100000000 ] - [ 0.0221910600000000, -0.0050559700000000, 0.0007702200000000 ] - [ -0.0010445700000000, -0.0034149600000000, 0.0001837800000000 ] - [ -0.0000625200000000, -0.0006469400000000, -0.0001686200000000 ] - [ -0.0002629400000000, 0.0007931700000000, -0.0002341600000000 ] - [ 0.0001174700000000, -0.0003598200000000, 0.0000017500000000 ] - [ 0.0001928000000000, -0.0006295000000000, -0.0000616300000000 ] - [ -0.0004243900000000, -0.0011015900000000, -0.0011157200000000 ] - [ -0.0008228500000000, 0.0006495700000000, 0.0001964600000000 ] - [ -0.0001023300000000, -0.0023102200000000, 0.0000508700000000 ] - [ 0.0021838800000000, 0.0027882100000000, -0.0031364400000000 ] - [ 0.0007520000000000, -0.0015396300000000, -0.0015350400000000 ] - [ -0.0021365700000000, 0.0005849700000000, 0.0036474700000000 ] - [ -0.0007892800000000, 0.0026739500000000, -0.0023742500000000 ] - [ -0.0003091400000000, -0.0022034800000000, -0.0003321200000000 ] - [ -0.0006340500000000, 0.0023994300000000, 0.0004472300000000 ] - [ 0.0000098400000000, -0.0007401500000000, -0.0003605100000000 ] - [ 0.0006374600000000, 0.0009179900000000, 0.0001722600000000 ] - [ 0.0003439800000000, -0.0000679800000000, 0.0001440800000000 ] - [ -0.0010330300000000, -0.0026094600000000, 0.0004382400000000 ] - [ 0.0100175700000000, -0.0010377500000000, 0.0008890200000000 ] - [ -0.0042992300000000, -0.0003958100000000, 0.0056904600000000 ] - [ 0.0010510900000000, -0.0025450400000000, -0.0020287100000000 ] - [ 0.0014396100000000, 0.0038602700000000, 0.0004750200000000 ] - [ -0.0004740300000000, -0.0016810900000000, 0.0001075900000000 ] - [ -0.0006638400000000, 0.0013824300000000, 0.0002124800000000 ] - [ 0.0000902700000000, -0.0002643000000000, -0.0014783800000000 ] - [ 0.0000848600000000, 0.0003852100000000, -0.0009584400000000 ] - [ -0.0004432700000000, 0.0003805500000000, 0.0004765000000000 ] - [ 0.0002297600000000, 0.0003132400000000, -0.0000229600000000 ] - [ 0.0003430200000000, 0.0007012400000000, 0.0001153900000000 ] - [ -0.0003945400000000, -0.0006229800000000, 0.0011853400000000 ] - [ -0.0013981200000000, 0.0009243000000000, -0.0012992600000000 ] - [ -0.0005574300000000, 0.0006114800000000, -0.0012931900000000 ] - [ 0.0011709800000000, -0.0011534700000000, 0.0012966000000000 ] - [ -0.0001350500000000, -0.0002315900000000, 0.0000196300000000 ] - [ -0.0001321300000000, -0.0004656900000000, -0.0000097500000000 ] - [ 0.0007145100000000, -0.0000858700000000, 0.0011284300000000 ] - [ -0.0013887700000000, -0.0007682800000000, -0.0007627400000000 ] - [ 0.0001415900000000, -0.0018677200000000, 0.0000248200000000 ] - [ -0.0013437200000000, 0.0022396300000000, -0.0000308000000000 ] - [ 0.0002776800000000, -0.0009067900000000, 0.0002858100000000 ] - [ 0.0007826200000000, -0.0000643800000000, 0.0021974600000000 ] - [ 0.0003834300000000, -0.0012481200000000, 0.0016147800000000 ] - [ -0.0063073800000000, -0.0039954500000000, -0.0097957700000000 ] - [ -0.0005400300000000, -0.0002405400000000, -0.0006183900000000 ] - [ -0.0000312800000000, -0.0009930900000000, -0.0000152800000000 ]- atom: 61 displacement: [ -0.0004120271249244, 0.0000000000000000, 0.0099915080767783 ] forces: - [ -0.0006621100000000, 0.0007317300000000, 0.0093882100000000 ] - [ -0.0004971600000000, -0.0005121300000000, 0.0014783400000000 ] - [ -0.0000080100000000, 0.0012948200000000, -0.0018299000000000 ] - [ 0.0002908900000000, -0.0016140800000000, -0.0032802000000000 ] - [ -0.0003677900000000, -0.0023049100000000, -0.0002882100000000 ] - [ -0.0041893700000000, 0.0086434900000000, -0.0008206400000000 ] - [ 0.0030590500000000, -0.0011683500000000, 0.0019985700000000 ] - [ 0.0003050200000000, 0.0002810200000000, 0.0009946800000000 ] - [ 0.0009492200000000, -0.0005060100000000, 0.0020103400000000 ] - [ -0.0013847300000000, -0.0001999800000000, 0.0079557500000000 ] - [ -0.0000656000000000, -0.0001900300000000, -0.0031110700000000 ] - [ -0.0001290600000000, -0.0000951200000000, -0.0018054600000000 ] - [ -0.0007537500000000, 0.0003966800000000, -0.0016034700000000 ] - [ -0.0004187500000000, -0.0003916900000000, -0.0009480400000000 ] - [ 0.0000290200000000, -0.0001854400000000, -0.0020662200000000 ] - [ 0.0001741300000000, -0.0000813100000000, -0.0028160200000000 ] - [ -0.0020619900000000, 0.0040131200000000, -0.0013433900000000 ] - [ -0.0000562300000000, -0.0020028000000000, 0.0014722400000000 ] - [ -0.0000488100000000, -0.0005885500000000, -0.0003061300000000 ] - [ -0.0003638100000000, 0.0007791200000000, -0.0006390300000000 ] - [ 0.0008457400000000, 0.0007678200000000, 0.0007916200000000 ] - [ 0.0012336500000000, -0.0010374100000000, 0.0007954900000000 ] - [ 0.0002105300000000, -0.0012622000000000, -0.0065593500000000 ] - [ 0.0001060300000000, 0.0005217000000000, -0.0006454000000000 ] - [ -0.0007751900000000, 0.0014645000000000, 0.0035578100000000 ] - [ -0.0026673000000000, 0.0051160500000000, 0.0134139900000000 ] - [ 0.0002618400000000, -0.0004086500000000, -0.0017660000000000 ] - [ 0.0000784700000000, 0.0003804200000000, -0.0026318500000000 ] - [ -0.0002889400000000, 0.0000901700000000, -0.0015188800000000 ] - [ -0.0002252700000000, 0.0002207500000000, -0.0008499100000000 ] - [ 0.0000877000000000, 0.0006943300000000, 0.0021581100000000 ] - [ -0.0002664300000000, -0.0005768900000000, 0.0014740600000000 ] - [ 0.0003866900000000, -0.0014446800000000, -0.0004546000000000 ] - [ 0.0020018000000000, 0.0025165500000000, -0.0012056700000000 ] - [ -0.0000624500000000, 0.0001461100000000, 0.0010558200000000 ] - [ 0.0008209400000000, 0.0011478200000000, 0.0022870800000000 ] - [ 0.0001914000000000, -0.0000185200000000, -0.0050482900000000 ] - [ 0.0001728800000000, 0.0000779800000000, -0.0025999700000000 ] - [ -0.0007946600000000, 0.0013521800000000, 0.0000196300000000 ] - [ -0.0055271400000000, 0.0005038000000000, -0.0031637500000000 ] - [ -0.0008529900000000, -0.0018107200000000, -0.0030953300000000 ] - [ -0.0006772900000000, 0.0022613500000000, 0.0009772900000000 ] - [ -0.0002138100000000, -0.0002817200000000, -0.0023925300000000 ] - [ -0.0003518200000000, -0.0005770500000000, -0.0031380300000000 ] - [ -0.0379520400000000, 0.0577139900000000, 0.0773027500000000 ] - [ 0.0011373400000000, 0.0003193700000000, 0.0009802000000000 ] - [ 0.0054001700000000, 0.0022357300000000, -0.0023577600000000 ] - [ 0.0011133200000000, -0.0007761300000000, 0.0002910600000000 ] - [ -0.0014937700000000, -0.0007847900000000, 0.0011419200000000 ] - [ -0.0000764000000000, 0.0004225700000000, 0.0003670000000000 ] - [ 0.0000828600000000, -0.0004919200000000, -0.0010318300000000 ] - [ -0.0000141500000000, 0.0000197600000000, -0.0010587100000000 ] - [ 0.0005494500000000, -0.0001669900000000, 0.0023990300000000 ] - [ -0.0002375900000000, -0.0005057400000000, 0.0005338600000000 ] - [ -0.0156829500000000, 0.0146877100000000, 0.0249912300000000 ] - [ 0.0006108200000000, 0.0001293800000000, -0.0012852200000000 ] - [ -0.0005485300000000, 0.0084181800000000, -0.0068158800000000 ] - [ -0.0000377300000000, -0.0029118100000000, -0.0043899000000000 ] - [ 0.0003532900000000, -0.0006130500000000, 0.0052859900000000 ] - [ 0.0005574000000000, 0.0008059800000000, 0.0010264800000000 ] - [ 0.0613609000000000, -0.0953979500000000, -0.1242577500000000 ] - [ 0.0001584100000000, 0.0010020600000000, -0.0013512000000000 ] - [ 0.0001931900000000, 0.0003043700000000, 0.0017114400000000 ] - [ -0.0000650800000000, 0.0006305900000000, 0.0024960200000000 ] - [ 0.0001910900000000, 0.0000869200000000, 0.0011377100000000 ] - [ 0.0001352100000000, -0.0001825600000000, 0.0016877500000000 ] - [ 0.0023273800000000, -0.0015669400000000, -0.0105465000000000 ] - [ -0.0000726400000000, 0.0000129400000000, -0.0012407400000000 ] - [ -0.0002398600000000, 0.0000034200000000, 0.0010761900000000 ] - [ -0.0002690800000000, 0.0000315200000000, 0.0020803000000000 ] - [ -0.0000065700000000, -0.0005883500000000, 0.0027796700000000 ] - [ 0.0001090100000000, -0.0006482100000000, 0.0016718900000000 ] - [ -0.0005330200000000, 0.0002663700000000, 0.0005094600000000 ] - [ -0.0012594500000000, -0.0016823000000000, 0.0018761300000000 ] - [ -0.0001144500000000, -0.0007832500000000, -0.0001085900000000 ] - [ -0.0049766500000000, 0.0001055500000000, 0.0059139400000000 ] - [ -0.0016642400000000, 0.0018814500000000, -0.0001479700000000 ] - [ -0.0026722400000000, -0.0020390500000000, -0.0002657400000000 ] - [ 0.0052815800000000, 0.0019328000000000, 0.0031831700000000 ] - [ 0.0000806600000000, -0.0003294000000000, -0.0014493800000000 ] - [ -0.0023676500000000, 0.0000684500000000, -0.0011731500000000 ] - [ -0.0006450000000000, 0.0008114700000000, -0.0006430300000000 ] - [ 0.0006336000000000, 0.0003567400000000, 0.0029465400000000 ] - [ 0.0006799200000000, 0.0003919800000000, 0.0015118900000000 ] - [ 0.0002914000000000, -0.0006612700000000, -0.0013046500000000 ] - [ -0.0029135100000000, 0.0006168700000000, -0.0038754900000000 ] - [ -0.0053019500000000, -0.0064356800000000, 0.0028911500000000 ] - [ -0.0009940300000000, 0.0018555500000000, -0.0005655100000000 ] - [ -0.0006084100000000, -0.0002483000000000, -0.0016469500000000 ] - [ -0.0002563500000000, 0.0004904100000000, -0.0007633500000000 ] - [ -0.0010810000000000, -0.0005210400000000, 0.0020039700000000 ] - [ -0.0006103800000000, 0.0007518400000000, 0.0001154600000000 ] - [ -0.0007240300000000, 0.0010731700000000, 0.0007588700000000 ] - [ -0.0007836000000000, -0.0003783800000000, 0.0007549100000000 ] - [ 0.0005191000000000, 0.0005409600000000, 0.0013106500000000 ] - [ 0.0006714800000000, 0.0004291600000000, 0.0015866300000000 ] - [ -0.0003765900000000, -0.0003476200000000, 0.0014551100000000 ] - [ 0.0002099800000000, -0.0002267400000000, 0.0032501600000000 ] - [ 0.0007062100000000, 0.0017087600000000, 0.0009946400000000 ] - [ 0.0018831200000000, -0.0026118900000000, 0.0018084300000000 ] - [ -0.0000755100000000, -0.0004420500000000, 0.0012871400000000 ] - [ -0.0000429900000000, -0.0002653900000000, 0.0011047000000000 ] - [ 0.0008196200000000, -0.0009108000000000, -0.0000713000000000 ] - [ 0.0019588000000000, 0.0012853000000000, 0.0004142600000000 ] - [ 0.0001013300000000, -0.0005981400000000, -0.0006390200000000 ] - [ 0.0018202800000000, -0.0006059600000000, -0.0003274700000000 ] - [ 0.0001715500000000, 0.0004826400000000, -0.0002967700000000 ] - [ 0.0001514900000000, -0.0004557800000000, -0.0008972200000000 ] - [ 0.0001828900000000, -0.0015340600000000, -0.0013313100000000 ] - [ 0.0058248300000000, 0.0084939000000000, 0.0071262000000000 ] - [ 0.0007152300000000, 0.0001216800000000, 0.0017666000000000 ] - [ 0.0002200000000000, -0.0009212600000000, 0.0004102200000000 ]- atom: 61 displacement: [ 0.0004120271249244, 0.0000000000000000, -0.0099915080767783 ] forces: - [ 0.0002804800000000, -0.0007042000000000, -0.0100028300000000 ] - [ 0.0001567900000000, 0.0005458500000000, -0.0020986300000000 ] - [ 0.0003489100000000, -0.0011905700000000, 0.0017191500000000 ] - [ 0.0000471500000000, 0.0016923900000000, 0.0031589000000000 ] - [ 0.0007024800000000, 0.0021979700000000, 0.0001415500000000 ] - [ 0.0045119300000000, -0.0085957500000000, 0.0002904000000000 ] - [ -0.0034015600000000, 0.0010814700000000, -0.0019228500000000 ] - [ -0.0006435700000000, -0.0003788100000000, -0.0008900400000000 ] - [ -0.0008000100000000, 0.0005608900000000, -0.0026486700000000 ] - [ 0.0015521700000000, 0.0003266900000000, -0.0085926800000000 ] - [ -0.0002663200000000, 0.0001578300000000, 0.0024768100000000 ] - [ -0.0002069500000000, 0.0000599600000000, 0.0011746100000000 ] - [ 0.0004073300000000, -0.0003016700000000, 0.0017182400000000 ] - [ 0.0000765900000000, 0.0004813800000000, 0.0010634500000000 ] - [ 0.0001071700000000, 0.0000946100000000, 0.0014127600000000 ] - [ -0.0000381400000000, -0.0000177000000000, 0.0021621100000000 ] - [ 0.0020902800000000, -0.0042801800000000, 0.0024367700000000 ] - [ -0.0000808800000000, 0.0018989000000000, -0.0008074400000000 ] - [ 0.0003862600000000, 0.0006216000000000, 0.0009265600000000 ] - [ 0.0007046500000000, -0.0007465500000000, 0.0012645800000000 ] - [ -0.0005060300000000, -0.0007982300000000, -0.0001511300000000 ] - [ -0.0008904100000000, 0.0009961800000000, -0.0001431700000000 ] - [ -0.0003503500000000, 0.0013667800000000, 0.0072213000000000 ] - [ -0.0002476800000000, -0.0004338500000000, 0.0012868200000000 ] - [ 0.0012106300000000, -0.0012746400000000, -0.0039495900000000 ] - [ 0.0028262700000000, -0.0043497500000000, -0.0135895600000000 ] - [ 0.0001850800000000, 0.0002025000000000, 0.0013262200000000 ] - [ 0.0003702900000000, -0.0005908300000000, 0.0021999700000000 ] - [ -0.0001619700000000, 0.0001229600000000, 0.0019521000000000 ] - [ -0.0002194700000000, -0.0000140600000000, 0.0012823500000000 ] - [ -0.0005052900000000, -0.0008807400000000, -0.0016803600000000 ] - [ -0.0001762900000000, 0.0003760300000000, -0.0010292800000000 ] - [ -0.0005789700000000, 0.0011643300000000, 0.0015632500000000 ] - [ -0.0022083500000000, -0.0028173500000000, 0.0023233100000000 ] - [ -0.0003500500000000, 0.0005894300000000, -0.0027608000000000 ] - [ -0.0012474100000000, -0.0003943400000000, -0.0040029200000000 ] - [ 0.0000032000000000, 0.0003012100000000, 0.0039065400000000 ] - [ 0.0000170300000000, 0.0002055200000000, 0.0014737500000000 ] - [ 0.0005963400000000, -0.0010570800000000, 0.0011182200000000 ] - [ 0.0053081900000000, -0.0002180800000000, 0.0042928000000000 ] - [ 0.0012758700000000, 0.0025688300000000, 0.0047806600000000 ] - [ 0.0010975200000000, -0.0015372000000000, 0.0006978200000000 ] - [ -0.0002004700000000, -0.0004576900000000, 0.0007036400000000 ] - [ -0.0000617100000000, -0.0001710100000000, 0.0014426700000000 ] - [ 0.0396388400000000, -0.0604392300000000, -0.0791130300000000 ] - [ -0.0009240000000000, -0.0006001600000000, -0.0021129200000000 ] - [ -0.0049546400000000, -0.0029531600000000, 0.0040551600000000 ] - [ -0.0006943100000000, 0.0000286100000000, 0.0014098700000000 ] - [ 0.0018048400000000, 0.0007780100000000, -0.0011186900000000 ] - [ 0.0003764000000000, -0.0004307700000000, -0.0003402700000000 ] - [ 0.0003875300000000, 0.0002544300000000, 0.0014137600000000 ] - [ 0.0005039100000000, -0.0002839600000000, 0.0014396900000000 ] - [ -0.0010507700000000, -0.0000942900000000, -0.0027840800000000 ] - [ -0.0002527000000000, 0.0002567300000000, -0.0009150800000000 ] - [ 0.0172154200000000, -0.0148705700000000, -0.0265113500000000 ] - [ 0.0005998500000000, -0.0000628400000000, 0.0001899900000000 ] - [ 0.0002507600000000, -0.0082943400000000, 0.0069158400000000 ] - [ -0.0002655600000000, 0.0028350800000000, 0.0044017000000000 ] - [ 0.0008571400000000, 0.0005431700000000, -0.0063485200000000 ] - [ 0.0006596100000000, -0.0008664300000000, -0.0021333400000000 ] - [ -0.0622826100000000, 0.0982173000000000, 0.1250238300000000 ] - [ 0.0002769700000000, -0.0001072800000000, 0.0016417500000000 ] - [ 0.0002886700000000, 0.0002741200000000, -0.0001297800000000 ] - [ 0.0005435600000000, -0.0000472900000000, -0.0009095700000000 ] - [ 0.0003012700000000, 0.0001676300000000, -0.0007478500000000 ] - [ 0.0003581300000000, 0.0004386900000000, -0.0012996600000000 ] - [ -0.0016477800000000, 0.0009844900000000, 0.0113055700000000 ] - [ 0.0009871300000000, -0.0007458600000000, 0.0019926600000000 ] - [ -0.0000620000000000, 0.0000052800000000, -0.0010917200000000 ] - [ -0.0000332500000000, -0.0000195300000000, -0.0020942700000000 ] - [ 0.0004399700000000, -0.0003035100000000, -0.0024739900000000 ] - [ 0.0003290200000000, -0.0002337100000000, -0.0013697600000000 ] - [ -0.0003831100000000, -0.0010012900000000, -0.0012548400000000 ] - [ 0.0003500300000000, 0.0009561200000000, -0.0026340100000000 ] - [ 0.0003529000000000, 0.0001166700000000, -0.0001829500000000 ] - [ 0.0051560000000000, -0.0007567500000000, -0.0061343200000000 ] - [ 0.0004431600000000, -0.0018194200000000, 0.0012820200000000 ] - [ 0.0014632400000000, 0.0021095300000000, 0.0013928500000000 ] - [ -0.0058133200000000, -0.0025319800000000, -0.0047740400000000 ] - [ -0.0005597900000000, -0.0002433000000000, -0.0001231900000000 ] - [ 0.0017381500000000, 0.0009432600000000, 0.0007992400000000 ] - [ 0.0000265100000000, 0.0002051900000000, 0.0002790300000000 ] - [ 0.0002883500000000, 0.0003748400000000, -0.0021866900000000 ] - [ 0.0002410700000000, 0.0003403500000000, -0.0007513500000000 ] - [ 0.0003286500000000, -0.0003483600000000, 0.0016553600000000 ] - [ 0.0035667000000000, -0.0016528300000000, 0.0042114400000000 ] - [ 0.0047638400000000, 0.0066247600000000, -0.0032738400000000 ] - [ 0.0004982200000000, -0.0015944500000000, 0.0001704600000000 ] - [ 0.0003621800000000, 0.0009033100000000, 0.0019401200000000 ] - [ 0.0000163900000000, 0.0001776900000000, 0.0010523700000000 ] - [ 0.0005944100000000, 0.0010956600000000, -0.0035880300000000 ] - [ 0.0001264500000000, -0.0001668500000000, -0.0017044500000000 ] - [ 0.0002885100000000, -0.0001949500000000, -0.0010497300000000 ] - [ 0.0003493100000000, 0.0012679100000000, -0.0010493200000000 ] - [ 0.0000971600000000, 0.0004726500000000, -0.0009494900000000 ] - [ -0.0000575100000000, 0.0005873600000000, -0.0012291200000000 ] - [ -0.0008368800000000, 0.0002805200000000, -0.0003521500000000 ] - [ -0.0014188500000000, 0.0001642400000000, -0.0021421700000000 ] - [ -0.0004671700000000, -0.0010549600000000, -0.0012704300000000 ] - [ -0.0016633300000000, 0.0033050400000000, -0.0021077600000000 ] - [ -0.0001637700000000, -0.0002247100000000, -0.0009992600000000 ] - [ -0.0001971300000000, -0.0003966200000000, -0.0008173300000000 ] - [ -0.0005086800000000, 0.0009130000000000, 0.0000771700000000 ] - [ -0.0016457500000000, -0.0012703800000000, -0.0003985800000000 ] - [ -0.0005370400000000, -0.0002878300000000, 0.0003295300000000 ] - [ -0.0022469100000000, -0.0002804200000000, 0.0000116000000000 ] - [ 0.0003100000000000, -0.0010632700000000, 0.0018934800000000 ] - [ 0.0003298700000000, -0.0001275900000000, 0.0024967100000000 ] - [ -0.0010990500000000, 0.0022500800000000, 0.0005536900000000 ] - [ -0.0066896100000000, -0.0076741500000000, -0.0078301500000000 ] - [ -0.0013350800000000, -0.0011415200000000, -0.0021218800000000 ] - [ -0.0008402500000000, -0.0000901400000000, -0.0007632500000000 ]- atom: 63 displacement: [ 0.0099999999631191, 0.0000000000000000, -0.0000008588465536 ] forces: - [ -0.0001453000000000, -0.0001564300000000, 0.0000459300000000 ] - [ -0.0001035400000000, 0.0002128500000000, 0.0004655100000000 ] - [ -0.0078592200000000, -0.0013988200000000, 0.0000285800000000 ] - [ -0.0013178900000000, 0.0002365500000000, -0.0003965200000000 ] - [ -0.0003146500000000, 0.0001022000000000, -0.0002969600000000 ] - [ -0.0000458500000000, -0.0001343400000000, -0.0001028100000000 ] - [ 0.0001051900000000, 0.0000238400000000, 0.0002936800000000 ] - [ 0.0000225400000000, -0.0002208400000000, 0.0002919900000000 ] - [ -0.0000320200000000, 0.0004142000000000, -0.0016001800000000 ] - [ -0.0000332700000000, -0.0000884100000000, -0.0006759700000000 ] - [ 0.0008182100000000, -0.0027157500000000, -0.0012684900000000 ] - [ -0.0002804300000000, 0.0052937900000000, -0.0051249600000000 ] - [ -0.0000436700000000, 0.0019585500000000, -0.0001090900000000 ] - [ 0.0116677400000000, 0.0035713300000000, -0.0013694300000000 ] - [ -0.0034056600000000, 0.0013395500000000, 0.0025493400000000 ] - [ -0.0004804300000000, -0.0004866900000000, 0.0000165500000000 ] - [ -0.0014453500000000, 0.0003530500000000, 0.0001257000000000 ] - [ -0.0027518700000000, -0.0003064700000000, -0.0003857600000000 ] - [ 0.0029002400000000, 0.0010274800000000, 0.0001605100000000 ] - [ 0.0005433600000000, -0.0001843300000000, 0.0005370300000000 ] - [ 0.0070461400000000, 0.0007223900000000, -0.0023680300000000 ] - [ 0.0014687800000000, 0.0000633700000000, 0.0003632200000000 ] - [ -0.0007496900000000, 0.0000329500000000, 0.0002542700000000 ] - [ -0.0009415000000000, 0.0000714600000000, 0.0005399700000000 ] - [ -0.0012022200000000, -0.0006900000000000, 0.0009901400000000 ] - [ -0.0003020100000000, 0.0002713900000000, 0.0001466100000000 ] - [ -0.0035419100000000, 0.0004480000000000, -0.0017938300000000 ] - [ 0.0000407000000000, -0.0002226000000000, -0.0003104900000000 ] - [ -0.0004232200000000, 0.0007333300000000, 0.0013147900000000 ] - [ -0.0004176300000000, -0.0021601500000000, 0.0017368800000000 ] - [ 0.0008336900000000, 0.0002279300000000, -0.0006299900000000 ] - [ 0.0014585800000000, -0.0008559200000000, -0.0008884900000000 ] - [ -0.0009564400000000, 0.0001101400000000, 0.0011468600000000 ] - [ -0.0003700100000000, -0.0003771500000000, 0.0007165600000000 ] - [ 0.0005049400000000, 0.0006302500000000, -0.0003026300000000 ] - [ 0.0002185900000000, 0.0002264900000000, -0.0007242900000000 ] - [ -0.0016094200000000, -0.0001465100000000, -0.0001347500000000 ] - [ -0.0036534900000000, 0.0004983800000000, 0.0002533100000000 ] - [ -0.0054008400000000, 0.0035627700000000, -0.0063997000000000 ] - [ -0.0013639500000000, -0.0013051200000000, 0.0004404500000000 ] - [ 0.0006329300000000, -0.0005576600000000, 0.0004399100000000 ] - [ 0.0011606700000000, 0.0010343200000000, 0.0005621800000000 ] - [ 0.0388746200000000, -0.0060145700000000, -0.0140321900000000 ] - [ 0.0016875500000000, -0.0014720700000000, -0.0012626300000000 ] - [ -0.0004799000000000, -0.0000941800000000, -0.0006919800000000 ] - [ -0.0006971800000000, 0.0000172100000000, -0.0006278100000000 ] - [ 0.0004274200000000, -0.0020785800000000, 0.0041579400000000 ] - [ -0.0005525000000000, 0.0051381600000000, 0.0056180900000000 ] - [ 0.0001164200000000, 0.0000029700000000, -0.0001337600000000 ] - [ 0.0007236500000000, 0.0001005500000000, -0.0011875500000000 ] - [ -0.0010094300000000, 0.0000984100000000, -0.0004409800000000 ] - [ -0.0002630600000000, -0.0000931600000000, 0.0003198400000000 ] - [ -0.0000586800000000, 0.0001928400000000, -0.0000185700000000 ] - [ 0.0002508100000000, -0.0010188100000000, 0.0008313000000000 ] - [ 0.0008484200000000, 0.0000155300000000, -0.0004615400000000 ] - [ 0.0009621000000000, -0.0000404100000000, -0.0006381600000000 ] - [ 0.0002964700000000, 0.0000212000000000, 0.0000201500000000 ] - [ 0.0002188300000000, 0.0000220300000000, -0.0001224000000000 ] - [ 0.0020999900000000, -0.0003781800000000, -0.0008371300000000 ] - [ 0.0032773000000000, 0.0006384400000000, -0.0006054100000000 ] - [ 0.0005520400000000, 0.0004548400000000, 0.0001008200000000 ] - [ 0.0009495900000000, 0.0003318200000000, -0.0001415900000000 ] - [ -0.0589388800000000, -0.0078800200000000, 0.0256106600000000 ] - [ -0.0007293300000000, 0.0004550100000000, 0.0011480100000000 ] - [ -0.0024539500000000, 0.0007198400000000, -0.0184440300000000 ] - [ -0.0000466200000000, -0.0000008300000000, -0.0000457700000000 ] - [ 0.0007050500000000, -0.0005423600000000, 0.0008488000000000 ] - [ 0.0009617300000000, -0.0000963800000000, 0.0010217800000000 ] - [ 0.0031635700000000, -0.0008723900000000, 0.0000964600000000 ] - [ 0.0005292500000000, 0.0001136400000000, 0.0001040800000000 ] - [ 0.0019847500000000, 0.0001062100000000, 0.0001233100000000 ] - [ 0.0014593800000000, -0.0003990000000000, 0.0001216600000000 ] - [ 0.0004973800000000, -0.0004428400000000, -0.0005057400000000 ] - [ -0.0001737200000000, -0.0002749800000000, -0.0003874100000000 ] - [ 0.0053660400000000, -0.0020730000000000, -0.0050934300000000 ] - [ 0.0005225600000000, 0.0004159700000000, -0.0008652600000000 ] - [ -0.0004487300000000, -0.0000878400000000, 0.0004574600000000 ] - [ -0.0005087300000000, 0.0001097400000000, 0.0005203200000000 ] - [ -0.0002955300000000, -0.0000721300000000, -0.0007039400000000 ] - [ -0.0003998800000000, -0.0004149400000000, -0.0008177900000000 ] - [ -0.0013102000000000, 0.0009735100000000, -0.0008490300000000 ] - [ -0.0023743800000000, -0.0007874200000000, -0.0018486400000000 ] - [ 0.0013401100000000, 0.0002549900000000, 0.0003051300000000 ] - [ 0.0027769300000000, 0.0009830400000000, -0.0005721000000000 ] - [ -0.0000766400000000, -0.0003924600000000, -0.0005961200000000 ] - [ 0.0000526900000000, -0.0005062000000000, -0.0001055600000000 ] - [ 0.0006375900000000, 0.0005057500000000, -0.0011759300000000 ] - [ 0.0005631100000000, -0.0009512100000000, -0.0012102900000000 ] - [ -0.0003962300000000, 0.0003648200000000, 0.0000808200000000 ] - [ -0.0007177200000000, 0.0002020800000000, 0.0001195000000000 ] - [ 0.0016024600000000, 0.0051966400000000, -0.0020549400000000 ] - [ 0.0016066500000000, -0.0041806200000000, -0.0015221000000000 ] - [ 0.0000810700000000, 0.0000107700000000, -0.0009672100000000 ] - [ -0.0001140200000000, 0.0007675100000000, -0.0005016800000000 ] - [ 0.0023436400000000, 0.0074189300000000, 0.0197480100000000 ] - [ -0.0006333900000000, 0.0004151300000000, 0.0002111900000000 ] - [ 0.0091724600000000, -0.0018319000000000, 0.0015752900000000 ] - [ -0.0001282000000000, 0.0002599100000000, 0.0004405500000000 ] - [ 0.0005221300000000, 0.0009299600000000, 0.0013165600000000 ] - [ -0.0000200400000000, 0.0001896300000000, -0.0000905600000000 ] - [ -0.0048925900000000, -0.0063256000000000, -0.0047985900000000 ] - [ -0.0023588500000000, 0.0017248200000000, -0.0010448600000000 ] - [ 0.0009517800000000, -0.0027620700000000, 0.0026949200000000 ] - [ 0.0002977200000000, 0.0022414200000000, 0.0020517400000000 ] - [ 0.0018060300000000, 0.0001227000000000, 0.0054743600000000 ] - [ -0.0003174100000000, -0.0003740000000000, 0.0001810700000000 ] - [ 0.0000013200000000, -0.0002801600000000, 0.0005480400000000 ] - [ 0.0000395500000000, -0.0002128100000000, 0.0007068600000000 ] - [ 0.0021779400000000, -0.0000738400000000, 0.0011847000000000 ] - [ 0.0004916700000000, 0.0005836200000000, -0.0001224900000000 ] - [ -0.0013225100000000, 0.0000148100000000, -0.0002044200000000 ] - [ -0.0014522600000000, -0.0002489100000000, -0.0005473900000000 ]- atom: 63 displacement: [ -0.0099999999631191, 0.0000000000000000, 0.0000008588465536 ] forces: - [ -0.0001990300000000, 0.0001885900000000, -0.0006826600000000 ] - [ -0.0002378600000000, -0.0001838000000000, -0.0010938200000000 ] - [ 0.0081606600000000, 0.0014621800000000, -0.0001519000000000 ] - [ 0.0016502900000000, -0.0001321100000000, 0.0002739200000000 ] - [ 0.0006467000000000, -0.0002011100000000, 0.0001805900000000 ] - [ 0.0003773600000000, 0.0000377200000000, -0.0000146400000000 ] - [ -0.0004383900000000, -0.0001214800000000, -0.0001686600000000 ] - [ -0.0003539900000000, 0.0001191600000000, -0.0001681000000000 ] - [ 0.0001594900000000, -0.0003421400000000, 0.0009717900000000 ] - [ 0.0001667800000000, 0.0001694800000000, 0.0000429600000000 ] - [ -0.0011464600000000, 0.0026984600000000, 0.0006262100000000 ] - [ -0.0000364900000000, -0.0053281600000000, 0.0044719600000000 ] - [ -0.0003056300000000, -0.0018441100000000, 0.0002095000000000 ] - [ -0.0124806200000000, -0.0040271000000000, 0.0014742300000000 ] - [ 0.0035122900000000, -0.0014265800000000, -0.0032185600000000 ] - [ 0.0006116800000000, 0.0004145400000000, -0.0006631800000000 ] - [ 0.0013114100000000, -0.0004323100000000, 0.0005152100000000 ] - [ 0.0026208900000000, 0.0002354300000000, 0.0010319100000000 ] - [ -0.0025476700000000, -0.0009953500000000, 0.0005028900000000 ] - [ -0.0001964600000000, 0.0002222500000000, 0.0001053000000000 ] - [ -0.0067611300000000, -0.0007907000000000, 0.0030673900000000 ] - [ -0.0011253800000000, -0.0000909200000000, 0.0002782300000000 ] - [ 0.0006130300000000, 0.0000473500000000, 0.0003864800000000 ] - [ 0.0008041900000000, 0.0000064600000000, 0.0000941700000000 ] - [ 0.0016676300000000, 0.0008855500000000, -0.0014223400000000 ] - [ 0.0007670600000000, -0.0000679800000000, -0.0005901200000000 ] - [ 0.0040197400000000, -0.0006681500000000, 0.0013453300000000 ] - [ 0.0004213000000000, 0.0000159900000000, -0.0001406400000000 ] - [ -0.0000499900000000, -0.0005018800000000, -0.0008488300000000 ] - [ -0.0000514700000000, 0.0023451100000000, -0.0012903700000000 ] - [ -0.0013006700000000, -0.0004260700000000, 0.0010788100000000 ] - [ -0.0019221300000000, 0.0006543500000000, 0.0013445000000000 ] - [ 0.0007611400000000, -0.0003976300000000, -0.0000120600000000 ] - [ 0.0001845100000000, 0.0000937200000000, 0.0004095000000000 ] - [ -0.0009063800000000, 0.0001137800000000, -0.0014082600000000 ] - [ -0.0006206000000000, 0.0005260300000000, -0.0009845800000000 ] - [ 0.0017877600000000, 0.0004296100000000, -0.0010074700000000 ] - [ 0.0038384300000000, -0.0002017700000000, -0.0013959100000000 ] - [ 0.0052312100000000, -0.0033133700000000, 0.0075763600000000 ] - [ 0.0011853100000000, 0.0016095700000000, 0.0006856900000000 ] - [ -0.0002246200000000, 0.0013120300000000, 0.0012792400000000 ] - [ -0.0007555900000000, -0.0002864000000000, 0.0011503300000000 ] - [ -0.0390517600000000, 0.0047011600000000, 0.0111672700000000 ] - [ -0.0020835200000000, 0.0007342900000000, -0.0004563900000000 ] - [ 0.0006633000000000, -0.0001905500000000, -0.0004268500000000 ] - [ 0.0008800500000000, -0.0002999300000000, -0.0004879300000000 ] - [ -0.0000182100000000, 0.0013322400000000, -0.0024499600000000 ] - [ 0.0009724900000000, -0.0058626300000000, -0.0038880400000000 ] - [ 0.0001774400000000, -0.0000219000000000, 0.0001551200000000 ] - [ -0.0004249500000000, -0.0001115200000000, 0.0012009600000000 ] - [ 0.0014912400000000, -0.0003455300000000, 0.0008309500000000 ] - [ 0.0007420200000000, -0.0001573700000000, 0.0000590100000000 ] - [ -0.0004199000000000, -0.0004452500000000, -0.0003658100000000 ] - [ -0.0007286400000000, 0.0007746200000000, -0.0012168300000000 ] - [ 0.0003699400000000, 0.0000484100000000, -0.0006557800000000 ] - [ 0.0002572800000000, 0.0001066500000000, -0.0004800200000000 ] - [ -0.0005936500000000, -0.0000403200000000, -0.0000471400000000 ] - [ -0.0005125800000000, -0.0000396000000000, 0.0000956100000000 ] - [ -0.0008825800000000, 0.0003246200000000, -0.0002653700000000 ] - [ -0.0020705200000000, -0.0007105500000000, -0.0005012100000000 ] - [ -0.0001140700000000, 0.0004404900000000, 0.0001933400000000 ] - [ -0.0005122600000000, 0.0005643800000000, 0.0004329800000000 ] - [ 0.0596971100000000, 0.0096575600000000, -0.0229481500000000 ] - [ 0.0011873500000000, 0.0001395800000000, 0.0004730900000000 ] - [ 0.0030338000000000, -0.0004946700000000, 0.0188687900000000 ] - [ 0.0005204900000000, 0.0002372800000000, 0.0004315000000000 ] - [ 0.0002272400000000, -0.0001938900000000, -0.0000932200000000 ] - [ -0.0000297500000000, -0.0006427000000000, -0.0002678100000000 ] - [ -0.0034576500000000, 0.0008894700000000, -0.0001039000000000 ] - [ -0.0008220900000000, -0.0001001000000000, -0.0001240400000000 ] - [ -0.0015493400000000, -0.0010001900000000, 0.0001810400000000 ] - [ -0.0010216900000000, -0.0005009300000000, 0.0001823000000000 ] - [ -0.0014225400000000, -0.0002913000000000, -0.0002513300000000 ] - [ -0.0007572700000000, -0.0004652100000000, -0.0003727000000000 ] - [ -0.0050750900000000, 0.0013878700000000, 0.0047518000000000 ] - [ -0.0002765200000000, -0.0010861200000000, 0.0005849800000000 ] - [ -0.0007648900000000, 0.0001527400000000, 0.0006445900000000 ] - [ -0.0007084500000000, -0.0000460100000000, 0.0005903500000000 ] - [ -0.0001665200000000, -0.0005311400000000, -0.0009167800000000 ] - [ -0.0000629500000000, -0.0001821400000000, -0.0007941200000000 ] - [ 0.0006855600000000, 0.0000420600000000, 0.0004992100000000 ] - [ 0.0017458100000000, 0.0018134500000000, 0.0014972400000000 ] - [ -0.0004010000000000, 0.0004770600000000, 0.0004558300000000 ] - [ -0.0018406300000000, -0.0002430300000000, 0.0013500800000000 ] - [ 0.0006912800000000, -0.0006243000000000, 0.0009508800000000 ] - [ 0.0005669300000000, -0.0005150000000000, 0.0004541200000000 ] - [ -0.0011185500000000, -0.0002543200000000, 0.0007914000000000 ] - [ -0.0010426900000000, 0.0011913200000000, 0.0008206500000000 ] - [ 0.0001482500000000, 0.0003026800000000, 0.0001965000000000 ] - [ 0.0004711800000000, 0.0004686200000000, 0.0001569200000000 ] - [ -0.0020712500000000, -0.0045681300000000, 0.0004488400000000 ] - [ -0.0020670400000000, 0.0047487600000000, -0.0000943800000000 ] - [ -0.0005116600000000, 0.0008820300000000, 0.0006603200000000 ] - [ -0.0003215600000000, 0.0001289900000000, 0.0002031300000000 ] - [ -0.0017467600000000, -0.0063598900000000, -0.0192846900000000 ] - [ 0.0012533100000000, 0.0005981200000000, 0.0001416300000000 ] - [ -0.0105347900000000, 0.0017920800000000, -0.0004613000000000 ] - [ -0.0010868400000000, -0.0003317700000000, 0.0006731300000000 ] - [ -0.0002779800000000, -0.0002609300000000, -0.0016018300000000 ] - [ 0.0002659600000000, 0.0004787700000000, -0.0001905400000000 ] - [ 0.0047002900000000, 0.0056218400000000, 0.0050405900000000 ] - [ 0.0021240200000000, -0.0023948000000000, 0.0013401300000000 ] - [ -0.0006505500000000, 0.0028028100000000, -0.0026829400000000 ] - [ -0.0000038700000000, -0.0022440200000000, -0.0020476600000000 ] - [ -0.0022532500000000, -0.0010202400000000, -0.0058218500000000 ] - [ -0.0001209500000000, -0.0005267300000000, -0.0004761700000000 ] - [ 0.0004586200000000, -0.0003190600000000, 0.0010600300000000 ] - [ 0.0004203100000000, -0.0003896200000000, 0.0009065500000000 ] - [ -0.0031087300000000, 0.0008196000000000, -0.0019578000000000 ] - [ -0.0014220200000000, 0.0001481800000000, -0.0006361800000000 ] - [ 0.0006929000000000, -0.0010382000000000, -0.0001559400000000 ] - [ 0.0008250100000000, -0.0007664000000000, 0.0001934000000000 ]- atom: 63 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002544600000000, -0.0002616600000000, 0.0000598100000000 ] - [ 0.0001291600000000, 0.0003828400000000, -0.0016746800000000 ] - [ -0.0017342300000000, 0.0027087800000000, 0.0004454000000000 ] - [ 0.0008183000000000, -0.0025396200000000, 0.0000726700000000 ] - [ 0.0000072600000000, 0.0005941100000000, -0.0002796000000000 ] - [ 0.0000712100000000, -0.0006146400000000, -0.0002140000000000 ] - [ -0.0000246200000000, -0.0001756800000000, -0.0001084900000000 ] - [ -0.0001828300000000, -0.0000352900000000, -0.0000629600000000 ] - [ 0.0002494300000000, 0.0009411900000000, -0.0005795200000000 ] - [ -0.0000493000000000, -0.0006120300000000, -0.0007118600000000 ] - [ -0.0028647100000000, -0.0032637000000000, -0.0023390800000000 ] - [ 0.0050038900000000, -0.0017892000000000, 0.0071438700000000 ] - [ 0.0025826300000000, -0.0053749100000000, 0.0023004400000000 ] - [ 0.0035216400000000, 0.0104042000000000, -0.0014069600000000 ] - [ 0.0011573300000000, 0.0029040300000000, -0.0007825500000000 ] - [ -0.0003551700000000, -0.0019141500000000, 0.0002583600000000 ] - [ 0.0000723500000000, -0.0007016200000000, 0.0007971000000000 ] - [ -0.0002980200000000, 0.0003814900000000, -0.0007209800000000 ] - [ 0.0010349800000000, 0.0014860000000000, -0.0007860500000000 ] - [ 0.0001777600000000, -0.0010109900000000, 0.0005389800000000 ] - [ 0.0011920500000000, 0.0088938200000000, -0.0079508900000000 ] - [ 0.0004167800000000, -0.0026125600000000, -0.0001354700000000 ] - [ -0.0001017800000000, -0.0001426300000000, -0.0002066100000000 ] - [ -0.0002511800000000, 0.0001969600000000, 0.0009820200000000 ] - [ 0.0000792400000000, 0.0011801500000000, -0.0005248500000000 ] - [ 0.0001281600000000, -0.0009203300000000, -0.0004361200000000 ] - [ -0.0017610500000000, 0.0010779800000000, -0.0006694400000000 ] - [ 0.0004064200000000, -0.0011387400000000, 0.0001127000000000 ] - [ 0.0016221500000000, -0.0024500900000000, -0.0036615200000000 ] - [ -0.0006344600000000, 0.0002987900000000, 0.0023725200000000 ] - [ -0.0000410100000000, -0.0009953100000000, 0.0012403100000000 ] - [ -0.0011358300000000, -0.0000918200000000, -0.0017390600000000 ] - [ -0.0000326000000000, 0.0009954400000000, 0.0004414200000000 ] - [ -0.0000982700000000, -0.0010500700000000, 0.0005363200000000 ] - [ -0.0000142400000000, 0.0016303500000000, -0.0005466000000000 ] - [ 0.0000198700000000, -0.0005624900000000, -0.0012545300000000 ] - [ 0.0003756100000000, -0.0006461600000000, -0.0003532300000000 ] - [ -0.0008277300000000, 0.0011799800000000, 0.0007340100000000 ] - [ 0.0018888200000000, 0.0059081700000000, 0.0015030000000000 ] - [ -0.0009884200000000, -0.0032622600000000, 0.0006289900000000 ] - [ -0.0007493700000000, -0.0000333900000000, 0.0000070600000000 ] - [ 0.0007872800000000, 0.0004591200000000, 0.0011214500000000 ] - [ -0.0052967800000000, 0.0832295200000000, 0.0893793500000000 ] - [ 0.0005129700000000, -0.0064054700000000, -0.0005562000000000 ] - [ 0.0002219100000000, -0.0002260200000000, -0.0005875400000000 ] - [ -0.0000967900000000, -0.0000944800000000, -0.0009901100000000 ] - [ -0.0008220800000000, -0.0034161000000000, 0.0054477200000000 ] - [ 0.0061714600000000, -0.0005179200000000, -0.0047779200000000 ] - [ -0.0000791500000000, 0.0006228000000000, 0.0002937500000000 ] - [ 0.0002929800000000, -0.0005101500000000, -0.0004009700000000 ] - [ -0.0000761200000000, -0.0004532400000000, -0.0007184200000000 ] - [ 0.0002076600000000, 0.0006598300000000, 0.0009543500000000 ] - [ 0.0001680100000000, 0.0005054200000000, 0.0000894000000000 ] - [ -0.0002054800000000, -0.0011535700000000, -0.0003904100000000 ] - [ 0.0006221700000000, 0.0001801400000000, -0.0004218200000000 ] - [ 0.0006580300000000, -0.0001370600000000, -0.0004317800000000 ] - [ -0.0000348400000000, -0.0001936300000000, -0.0000623400000000 ] - [ -0.0001810800000000, 0.0002320500000000, 0.0003217800000000 ] - [ 0.0007483900000000, 0.0000625700000000, -0.0007062200000000 ] - [ 0.0021719600000000, 0.0000303000000000, -0.0007957600000000 ] - [ 0.0002635300000000, 0.0008503600000000, 0.0001721900000000 ] - [ 0.0002058000000000, 0.0000634600000000, 0.0004965500000000 ] - [ -0.0081927700000000, -0.1072138800000000, -0.1025355900000000 ] - [ 0.0003887100000000, 0.0030849800000000, 0.0009278000000000 ] - [ 0.0035129000000000, -0.0093456800000000, -0.0073601100000000 ] - [ 0.0004905600000000, 0.0039429400000000, -0.0001833400000000 ] - [ 0.0002674900000000, -0.0002264100000000, 0.0000755900000000 ] - [ 0.0006727400000000, -0.0003493400000000, 0.0009530600000000 ] - [ 0.0000567200000000, -0.0016517000000000, -0.0004926200000000 ] - [ -0.0001300100000000, 0.0014313800000000, -0.0001678200000000 ] - [ 0.0008688000000000, -0.0006904500000000, 0.0003505900000000 ] - [ -0.0000240400000000, 0.0001672200000000, -0.0006245200000000 ] - [ -0.0004097900000000, -0.0009917200000000, -0.0003780400000000 ] - [ -0.0004054700000000, 0.0001992200000000, -0.0004199100000000 ] - [ -0.0015314900000000, -0.0031773000000000, 0.0011481100000000 ] - [ 0.0007286700000000, 0.0019754100000000, -0.0008077800000000 ] - [ -0.0007301400000000, -0.0003125000000000, 0.0007863200000000 ] - [ -0.0005593900000000, 0.0003345200000000, 0.0007018200000000 ] - [ -0.0000006000000000, 0.0001000000000000, -0.0002759400000000 ] - [ -0.0003457500000000, -0.0006221700000000, -0.0006965000000000 ] - [ -0.0003159900000000, 0.0018779400000000, -0.0014224800000000 ] - [ -0.0018733000000000, 0.0015518200000000, 0.0053073800000000 ] - [ -0.0011227900000000, 0.0015123600000000, 0.0006180000000000 ] - [ 0.0016695900000000, -0.0001671800000000, -0.0010566800000000 ] - [ 0.0008076600000000, -0.0013532200000000, -0.0004386400000000 ] - [ 0.0002467800000000, 0.0001753800000000, 0.0003008000000000 ] - [ 0.0005460300000000, -0.0001187600000000, -0.0014457600000000 ] - [ -0.0013786600000000, 0.0006386500000000, 0.0011336000000000 ] - [ -0.0001472900000000, 0.0009637200000000, 0.0000638200000000 ] - [ -0.0001773700000000, -0.0004982500000000, 0.0006648200000000 ] - [ 0.0042562000000000, 0.0050938800000000, -0.0028902000000000 ] - [ -0.0050854900000000, 0.0050613000000000, 0.0005838000000000 ] - [ -0.0007569800000000, -0.0006421400000000, 0.0006302600000000 ] - [ -0.0000417200000000, 0.0010127300000000, -0.0006079200000000 ] - [ 0.0041324700000000, -0.0046705800000000, 0.0088226000000000 ] - [ -0.0001352500000000, 0.0024606300000000, -0.0004620700000000 ] - [ -0.0007872000000000, -0.0037878500000000, 0.0004503400000000 ] - [ -0.0007587500000000, 0.0017155700000000, 0.0001861500000000 ] - [ 0.0006310000000000, 0.0002698200000000, 0.0006914000000000 ] - [ -0.0000055600000000, 0.0005620500000000, -0.0003033400000000 ] - [ -0.0072203600000000, 0.0130915700000000, 0.0174964600000000 ] - [ -0.0001023800000000, 0.0053521700000000, -0.0030584900000000 ] - [ -0.0035951200000000, 0.0001772600000000, -0.0028115900000000 ] - [ 0.0011881800000000, 0.0031007700000000, 0.0022526300000000 ] - [ 0.0015331000000000, -0.0034041400000000, 0.0021530100000000 ] - [ -0.0004894100000000, 0.0014523400000000, -0.0002126700000000 ] - [ 0.0002108800000000, -0.0006187800000000, 0.0009740600000000 ] - [ 0.0001419400000000, 0.0000033500000000, 0.0009631900000000 ] - [ -0.0007158900000000, -0.0010570100000000, -0.0005738700000000 ] - [ -0.0001070800000000, 0.0013593700000000, -0.0000645000000000 ] - [ 0.0005727900000000, 0.0001297700000000, 0.0016687200000000 ] - [ -0.0005727800000000, -0.0006518900000000, -0.0010809200000000 ]- atom: 63 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000903800000000, 0.0002978800000000, -0.0006919400000000 ] - [ -0.0004750300000000, -0.0003564700000000, 0.0010479300000000 ] - [ 0.0020764600000000, -0.0025990600000000, -0.0005696800000000 ] - [ -0.0004898300000000, 0.0026420900000000, -0.0001947900000000 ] - [ 0.0003243300000000, -0.0006901500000000, 0.0001618200000000 ] - [ 0.0002629400000000, 0.0005195300000000, 0.0000966400000000 ] - [ -0.0003094900000000, 0.0000836100000000, 0.0002295500000000 ] - [ -0.0001485100000000, -0.0000694400000000, 0.0001861000000000 ] - [ -0.0001166000000000, -0.0008600200000000, -0.0000608200000000 ] - [ 0.0001870600000000, 0.0006947800000000, 0.0000760600000000 ] - [ 0.0025089600000000, 0.0032462400000000, 0.0016824300000000 ] - [ -0.0053695800000000, 0.0017149100000000, -0.0078164500000000 ] - [ -0.0028959500000000, 0.0054611700000000, -0.0021717900000000 ] - [ -0.0043946900000000, -0.0107825200000000, 0.0015236400000000 ] - [ -0.0010461400000000, -0.0029682700000000, 0.0001398100000000 ] - [ 0.0004997700000000, 0.0018349400000000, -0.0009101000000000 ] - [ -0.0002085900000000, 0.0006271700000000, -0.0001522400000000 ] - [ 0.0001664400000000, -0.0004723700000000, 0.0013705000000000 ] - [ -0.0006855500000000, -0.0014418300000000, 0.0014581200000000 ] - [ 0.0001660300000000, 0.0010458000000000, 0.0000929800000000 ] - [ -0.0008433000000000, -0.0090227900000000, 0.0085017900000000 ] - [ -0.0000744100000000, 0.0025830200000000, 0.0007874300000000 ] - [ -0.0000320600000000, 0.0002281000000000, 0.0008454800000000 ] - [ 0.0001125200000000, -0.0001212500000000, -0.0003470100000000 ] - [ 0.0003806900000000, -0.0009760600000000, 0.0000787900000000 ] - [ 0.0003322700000000, 0.0011245300000000, -0.0000076500000000 ] - [ 0.0022461300000000, -0.0013013300000000, 0.0002346400000000 ] - [ 0.0000501700000000, 0.0009279600000000, -0.0005619100000000 ] - [ -0.0020802300000000, 0.0026684200000000, 0.0040931700000000 ] - [ 0.0001699700000000, -0.0001353500000000, -0.0019358200000000 ] - [ -0.0004183600000000, 0.0007982400000000, -0.0007898600000000 ] - [ 0.0006853600000000, -0.0001227900000000, 0.0021916100000000 ] - [ -0.0001609500000000, -0.0012744400000000, 0.0006917600000000 ] - [ -0.0000852400000000, 0.0007638400000000, 0.0005869800000000 ] - [ -0.0003871200000000, -0.0008889000000000, -0.0011643100000000 ] - [ -0.0004214100000000, 0.0013138100000000, -0.0004531000000000 ] - [ -0.0001873000000000, 0.0009437500000000, -0.0007795900000000 ] - [ 0.0010166000000000, -0.0009125600000000, -0.0018758600000000 ] - [ -0.0020877600000000, -0.0056029300000000, -0.0004055500000000 ] - [ 0.0008129700000000, 0.0035623100000000, 0.0005034000000000 ] - [ 0.0011512400000000, 0.0007947200000000, 0.0017061900000000 ] - [ -0.0003821500000000, 0.0002837400000000, 0.0005909900000000 ] - [ 0.0047329400000000, -0.0837508100000000, -0.0883200600000000 ] - [ -0.0009275000000000, 0.0056823500000000, -0.0011633700000000 ] - [ -0.0000384100000000, -0.0000556300000000, -0.0005330700000000 ] - [ 0.0002799100000000, -0.0001947300000000, -0.0001279700000000 ] - [ 0.0012212600000000, 0.0026691100000000, -0.0037228300000000 ] - [ -0.0058068200000000, -0.0002484400000000, 0.0065276300000000 ] - [ 0.0003717200000000, -0.0006432000000000, -0.0002675200000000 ] - [ 0.0000120400000000, 0.0004968500000000, 0.0004079800000000 ] - [ 0.0005580900000000, 0.0002010000000000, 0.0011109100000000 ] - [ 0.0002689200000000, -0.0009106500000000, -0.0005767800000000 ] - [ -0.0006445100000000, -0.0007613500000000, -0.0004713600000000 ] - [ -0.0002707700000000, 0.0009135300000000, 0.0000045300000000 ] - [ 0.0005973200000000, -0.0001184200000000, -0.0006919300000000 ] - [ 0.0005627000000000, 0.0002040800000000, -0.0006837500000000 ] - [ -0.0002613400000000, 0.0001694800000000, 0.0000380300000000 ] - [ -0.0001120000000000, -0.0002499100000000, -0.0003472500000000 ] - [ 0.0004685800000000, -0.0001317300000000, -0.0003997200000000 ] - [ -0.0009739200000000, -0.0000909900000000, -0.0003106300000000 ] - [ 0.0001755200000000, 0.0000445800000000, 0.0001238000000000 ] - [ 0.0002314300000000, 0.0008369300000000, -0.0001977300000000 ] - [ 0.0093609700000000, 0.1081476600000000, 0.1014545200000000 ] - [ 0.0000717800000000, -0.0024897600000000, 0.0006837100000000 ] - [ -0.0029688700000000, 0.0096157800000000, 0.0075649500000000 ] - [ -0.0000161700000000, -0.0037005600000000, 0.0005758900000000 ] - [ 0.0006665500000000, -0.0005136100000000, 0.0006820200000000 ] - [ 0.0002616600000000, -0.0003845300000000, -0.0001942300000000 ] - [ -0.0003561400000000, 0.0016847500000000, 0.0004727400000000 ] - [ -0.0001623500000000, -0.0014190300000000, 0.0001477000000000 ] - [ -0.0004359700000000, -0.0002160000000000, -0.0000476200000000 ] - [ 0.0004683900000000, -0.0010589700000000, 0.0009290200000000 ] - [ -0.0005182300000000, 0.0002556600000000, -0.0003822500000000 ] - [ -0.0005257100000000, -0.0009377800000000, -0.0003371600000000 ] - [ 0.0017734400000000, 0.0025333400000000, -0.0014212900000000 ] - [ -0.0004787300000000, -0.0026431000000000, 0.0005222800000000 ] - [ -0.0004858300000000, 0.0003741100000000, 0.0003203600000000 ] - [ -0.0006589000000000, -0.0002706600000000, 0.0004099400000000 ] - [ -0.0004590100000000, -0.0007006900000000, -0.0013342100000000 ] - [ -0.0001145800000000, 0.0000271800000000, -0.0009137500000000 ] - [ -0.0003039800000000, -0.0008630000000000, 0.0010659200000000 ] - [ 0.0012642100000000, -0.0005401100000000, -0.0057079700000000 ] - [ 0.0020387900000000, -0.0007790100000000, 0.0001423900000000 ] - [ -0.0007385500000000, 0.0009185200000000, 0.0018328300000000 ] - [ -0.0001906300000000, 0.0003378300000000, 0.0007932400000000 ] - [ 0.0003723600000000, -0.0011955600000000, 0.0000465800000000 ] - [ -0.0010203600000000, 0.0003600500000000, 0.0010565900000000 ] - [ 0.0009068200000000, -0.0003860800000000, -0.0015261700000000 ] - [ -0.0001014500000000, -0.0002984200000000, 0.0002144000000000 ] - [ -0.0000717400000000, 0.0011696600000000, -0.0003871200000000 ] - [ -0.0046732600000000, -0.0044707500000000, 0.0012771800000000 ] - [ 0.0046789400000000, -0.0045034600000000, -0.0022075500000000 ] - [ 0.0003205300000000, 0.0015240100000000, -0.0009286100000000 ] - [ -0.0003963700000000, -0.0001125100000000, 0.0003126800000000 ] - [ -0.0035360500000000, 0.0055907300000000, -0.0085146000000000 ] - [ 0.0007628400000000, -0.0014496400000000, 0.0008200800000000 ] - [ -0.0003955000000000, 0.0037308500000000, 0.0006711000000000 ] - [ -0.0004621000000000, -0.0017842000000000, 0.0009227100000000 ] - [ -0.0003866300000000, 0.0003906800000000, -0.0009839300000000 ] - [ 0.0002523700000000, 0.0001090100000000, 0.0000229800000000 ] - [ 0.0068628100000000, -0.0135921000000000, -0.0169672300000000 ] - [ -0.0001537600000000, -0.0060595200000000, 0.0033768500000000 ] - [ 0.0038698100000000, -0.0001642000000000, 0.0028179300000000 ] - [ -0.0008987200000000, -0.0030973000000000, -0.0022476100000000 ] - [ -0.0019591300000000, 0.0025271100000000, -0.0024427600000000 ] - [ 0.0000491800000000, -0.0023549100000000, -0.0000895200000000 ] - [ 0.0002493600000000, 0.0000171300000000, 0.0006300500000000 ] - [ 0.0003170700000000, -0.0006023500000000, 0.0006481000000000 ] - [ -0.0002167200000000, 0.0017880800000000, -0.0001825200000000 ] - [ -0.0008263700000000, -0.0006257000000000, -0.0006988000000000 ] - [ -0.0011875200000000, -0.0011589200000000, -0.0020172400000000 ] - [ -0.0000529900000000, -0.0003538100000000, 0.0007291500000000 ]- atom: 63 displacement: [ -0.0004120271249244, 0.0000000000000000, 0.0099915080767783 ] forces: - [ 0.0004523700000000, 0.0011144300000000, -0.0025159000000000 ] - [ 0.0007454100000000, -0.0009116500000000, -0.0035529700000000 ] - [ 0.0012387800000000, 0.0011949700000000, 0.0047860400000000 ] - [ 0.0007366900000000, -0.0005114900000000, 0.0018395800000000 ] - [ 0.0001144400000000, 0.0002833100000000, -0.0027710500000000 ] - [ -0.0000793500000000, -0.0001959000000000, -0.0015731600000000 ] - [ -0.0004283800000000, 0.0000764600000000, -0.0027704100000000 ] - [ -0.0004072400000000, 0.0001809300000000, -0.0025465800000000 ] - [ -0.0013553800000000, 0.0003875300000000, -0.0034104800000000 ] - [ -0.0001553500000000, -0.0000901000000000, -0.0013055500000000 ] - [ -0.0026950000000000, -0.0043881200000000, 0.0021169700000000 ] - [ -0.0048696200000000, 0.0068163100000000, 0.0013574300000000 ] - [ 0.0009427300000000, -0.0004016300000000, 0.0052370900000000 ] - [ -0.0007534800000000, -0.0003978200000000, 0.0111877900000000 ] - [ 0.0067336800000000, -0.0013405300000000, 0.0019757300000000 ] - [ 0.0006043500000000, 0.0000009000000000, 0.0005438600000000 ] - [ -0.0004680700000000, 0.0008900800000000, 0.0006927100000000 ] - [ -0.0000890900000000, -0.0015302600000000, 0.0006874300000000 ] - [ -0.0003611400000000, -0.0015080300000000, -0.0085335500000000 ] - [ 0.0002736800000000, -0.0000053200000000, -0.0008500500000000 ] - [ -0.0043081600000000, -0.0080994900000000, 0.0303486300000000 ] - [ -0.0001894500000000, -0.0012252000000000, 0.0013650100000000 ] - [ -0.0000643400000000, -0.0007545800000000, -0.0006553200000000 ] - [ 0.0000973700000000, 0.0007178300000000, -0.0005409200000000 ] - [ 0.0018983600000000, 0.0010342300000000, -0.0019477700000000 ] - [ 0.0006067400000000, -0.0004559400000000, -0.0008676700000000 ] - [ -0.0051133600000000, 0.0009492600000000, -0.0019749500000000 ] - [ -0.0001199900000000, -0.0002320300000000, -0.0000595000000000 ] - [ 0.0014113500000000, -0.0024546200000000, -0.0021807500000000 ] - [ 0.0018985500000000, 0.0069362700000000, -0.0022457100000000 ] - [ -0.0009264600000000, 0.0021833200000000, -0.0009580400000000 ] - [ -0.0019321900000000, -0.0027222700000000, -0.0022639800000000 ] - [ 0.0019464500000000, -0.0008095400000000, -0.0033932500000000 ] - [ 0.0003868500000000, -0.0001722800000000, -0.0011296300000000 ] - [ -0.0006653400000000, -0.0000118600000000, -0.0076196500000000 ] - [ 0.0000138900000000, 0.0003872700000000, -0.0030577600000000 ] - [ 0.0003943500000000, -0.0007178900000000, 0.0028888800000000 ] - [ 0.0007593600000000, 0.0012155500000000, 0.0031645400000000 ] - [ -0.0088155100000000, 0.0021888800000000, 0.0048245300000000 ] - [ -0.0007200400000000, -0.0007577600000000, 0.0025298000000000 ] - [ -0.0007107500000000, -0.0016510600000000, -0.0019720500000000 ] - [ -0.0007898500000000, 0.0009233500000000, -0.0024696100000000 ] - [ -0.0128868900000000, 0.0899375700000000, 0.2257777400000000 ] - [ -0.0012085500000000, 0.0001625600000000, 0.0016030600000000 ] - [ -0.0001911300000000, 0.0002624700000000, -0.0028127200000000 ] - [ -0.0000043000000000, -0.0005022900000000, -0.0032744900000000 ] - [ 0.0016789400000000, 0.0010587800000000, 0.0031922100000000 ] - [ 0.0070482500000000, -0.0078907500000000, 0.0024709400000000 ] - [ -0.0001899100000000, 0.0003738900000000, 0.0010308000000000 ] - [ -0.0017368400000000, -0.0008198400000000, 0.0038815800000000 ] - [ 0.0022253500000000, -0.0013338300000000, 0.0060180100000000 ] - [ 0.0005217700000000, 0.0007916900000000, 0.0014734800000000 ] - [ 0.0003016400000000, 0.0006108700000000, 0.0003737900000000 ] - [ 0.0007274200000000, -0.0016145900000000, 0.0015829600000000 ] - [ 0.0006446100000000, -0.0000080800000000, 0.0012218500000000 ] - [ 0.0003972700000000, -0.0002141800000000, 0.0015819600000000 ] - [ -0.0004417800000000, -0.0003602200000000, 0.0013539600000000 ] - [ -0.0002613000000000, 0.0003163400000000, 0.0010981400000000 ] - [ 0.0007131800000000, -0.0004046200000000, -0.0030995700000000 ] - [ 0.0006447600000000, -0.0000932700000000, -0.0032111400000000 ] - [ 0.0001884600000000, 0.0003495100000000, 0.0010795700000000 ] - [ -0.0003178900000000, 0.0010050700000000, 0.0018521400000000 ] - [ 0.0271631700000000, -0.1053549000000000, -0.3271725600000000 ] - [ 0.0006080400000000, 0.0004231900000000, -0.0015823800000000 ] - [ -0.0169469600000000, -0.0005336300000000, 0.0342174100000000 ] - [ 0.0001458200000000, 0.0012709900000000, -0.0001677000000000 ] - [ 0.0012811600000000, -0.0010063000000000, 0.0016270100000000 ] - [ 0.0010780800000000, 0.0004014100000000, 0.0019602400000000 ] - [ 0.0009966800000000, -0.0008755700000000, -0.0021455900000000 ] - [ -0.0001077200000000, 0.0005576100000000, -0.0012875900000000 ] - [ 0.0015076100000000, 0.0009159800000000, -0.0014835700000000 ] - [ 0.0001486000000000, -0.0009696700000000, -0.0009397800000000 ] - [ -0.0008001300000000, -0.0004790500000000, 0.0007060500000000 ] - [ -0.0004390600000000, -0.0002879600000000, 0.0000820700000000 ] - [ -0.0063940500000000, 0.0013829900000000, 0.0009063100000000 ] - [ -0.0003352900000000, -0.0007420500000000, -0.0008757000000000 ] - [ -0.0008496700000000, 0.0002777100000000, 0.0037484800000000 ] - [ -0.0007388300000000, 0.0001612600000000, 0.0020741600000000 ] - [ -0.0001226200000000, 0.0002164100000000, 0.0014538100000000 ] - [ -0.0002341700000000, -0.0001922700000000, 0.0021050300000000 ] - [ -0.0011750500000000, -0.0019132300000000, -0.0005717700000000 ] - [ -0.0030157600000000, 0.0074241700000000, 0.0048450000000000 ] - [ -0.0007892000000000, 0.0014796800000000, -0.0004311600000000 ] - [ -0.0018279700000000, -0.0013292700000000, -0.0012336800000000 ] - [ -0.0010132400000000, -0.0001963800000000, 0.0050933600000000 ] - [ 0.0003876000000000, -0.0003149300000000, 0.0011397800000000 ] - [ -0.0010613600000000, -0.0012296200000000, -0.0005590700000000 ] - [ -0.0018230400000000, 0.0019805000000000, 0.0000114900000000 ] - [ -0.0000904200000000, 0.0000420100000000, 0.0013345800000000 ] - [ 0.0003625500000000, 0.0010596300000000, 0.0026457700000000 ] - [ -0.0010290700000000, -0.0013050000000000, -0.0051945000000000 ] - [ -0.0015719400000000, 0.0025863200000000, -0.0052118300000000 ] - [ -0.0019671900000000, 0.0014932700000000, 0.0025967900000000 ] - [ -0.0006506200000000, -0.0002339300000000, 0.0007438300000000 ] - [ 0.0132456700000000, 0.0106768400000000, 0.0175538000000000 ] - [ 0.0005189400000000, 0.0003218000000000, -0.0004728300000000 ] - [ 0.0005833100000000, -0.0003030800000000, -0.0058345600000000 ] - [ -0.0006732800000000, 0.0004488000000000, -0.0012441600000000 ] - [ 0.0013001900000000, 0.0013535700000000, 0.0028179500000000 ] - [ 0.0006143600000000, -0.0002914000000000, 0.0007631400000000 ] - [ -0.0038696600000000, 0.0122014500000000, 0.0017635500000000 ] - [ -0.0004603500000000, -0.0025165600000000, -0.0019738600000000 ] - [ 0.0045227100000000, -0.0039534500000000, -0.0002624700000000 ] - [ 0.0010264000000000, 0.0013220100000000, -0.0011177500000000 ] - [ 0.0077435000000000, 0.0010952200000000, 0.0039152000000000 ] - [ 0.0000572000000000, -0.0009278800000000, -0.0008151700000000 ] - [ -0.0000149300000000, -0.0004759800000000, 0.0058607500000000 ] - [ 0.0001405900000000, -0.0004677000000000, 0.0026658300000000 ] - [ 0.0007065300000000, -0.0005378800000000, -0.0008933300000000 ] - [ -0.0005682100000000, 0.0007873100000000, -0.0007142500000000 ] - [ 0.0002980300000000, 0.0012544200000000, 0.0019429000000000 ] - [ 0.0010421400000000, -0.0024594400000000, 0.0020369800000000 ]- atom: 63 displacement: [ 0.0004120271249244, 0.0000000000000000, -0.0099915080767783 ] forces: - [ -0.0007963700000000, -0.0010950100000000, 0.0018925300000000 ] - [ -0.0010902900000000, 0.0009614400000000, 0.0029321600000000 ] - [ -0.0008880400000000, -0.0010886600000000, -0.0049187600000000 ] - [ -0.0003966800000000, 0.0005982000000000, -0.0019584300000000 ] - [ 0.0002194500000000, -0.0003760700000000, 0.0026694200000000 ] - [ 0.0004175200000000, 0.0000993700000000, 0.0014685400000000 ] - [ 0.0000956500000000, -0.0001834800000000, 0.0028972900000000 ] - [ 0.0000739400000000, -0.0002673300000000, 0.0026670000000000 ] - [ 0.0015105700000000, -0.0002912400000000, 0.0027598600000000 ] - [ 0.0002946900000000, 0.0001834800000000, 0.0006493200000000 ] - [ 0.0023752900000000, 0.0043546900000000, -0.0027339500000000 ] - [ 0.0045581300000000, -0.0068656900000000, -0.0019133600000000 ] - [ -0.0012932400000000, 0.0005174400000000, -0.0051472500000000 ] - [ 0.0004197400000000, 0.0004916800000000, -0.0111345300000000 ] - [ -0.0065881400000000, 0.0012397500000000, -0.0025856700000000 ] - [ -0.0004731100000000, -0.0000998700000000, -0.0011881200000000 ] - [ 0.0003279400000000, -0.0009873400000000, -0.0000522300000000 ] - [ -0.0000514600000000, 0.0014444600000000, -0.0000567500000000 ] - [ 0.0006872700000000, 0.0015319000000000, 0.0091628000000000 ] - [ 0.0000623500000000, 0.0000420700000000, 0.0014982600000000 ] - [ 0.0049880200000000, 0.0087591800000000, -0.0317151700000000 ] - [ 0.0005281300000000, 0.0011886400000000, -0.0007507200000000 ] - [ -0.0000738300000000, 0.0008466600000000, 0.0013186600000000 ] - [ -0.0002342900000000, -0.0006187600000000, 0.0012072100000000 ] - [ -0.0014767300000000, -0.0008379100000000, 0.0015085000000000 ] - [ -0.0001610900000000, 0.0006580800000000, 0.0004251300000000 ] - [ 0.0055602100000000, -0.0011535600000000, 0.0015521500000000 ] - [ 0.0005694500000000, 0.0000227000000000, -0.0003668700000000 ] - [ -0.0018723100000000, 0.0026721200000000, 0.0026467600000000 ] - [ -0.0023451100000000, -0.0066983000000000, 0.0027001500000000 ] - [ 0.0004961500000000, -0.0024083000000000, 0.0013873500000000 ] - [ 0.0015082500000000, 0.0025425700000000, 0.0026938700000000 ] - [ -0.0021309000000000, 0.0005174100000000, 0.0045327800000000 ] - [ -0.0005792200000000, -0.0001162300000000, 0.0022687300000000 ] - [ 0.0002587200000000, 0.0007755300000000, 0.0059821700000000 ] - [ -0.0004302500000000, 0.0003567200000000, 0.0013654800000000 ] - [ -0.0002043300000000, 0.0010007900000000, -0.0040186600000000 ] - [ -0.0005694200000000, -0.0009371300000000, -0.0042806000000000 ] - [ 0.0086415800000000, -0.0018992700000000, -0.0037998900000000 ] - [ 0.0005193900000000, 0.0010273800000000, -0.0014138800000000 ] - [ 0.0011302100000000, 0.0023920900000000, 0.0036834200000000 ] - [ 0.0012021400000000, -0.0001736200000000, 0.0041831300000000 ] - [ 0.0117752000000000, -0.0833855800000000, -0.2153975000000000 ] - [ 0.0008077800000000, -0.0009380200000000, -0.0033047200000000 ] - [ 0.0003861000000000, -0.0005549600000000, 0.0016906200000000 ] - [ 0.0001963300000000, 0.0002214600000000, 0.0021530600000000 ] - [ -0.0012841200000000, -0.0018173700000000, -0.0015513700000000 ] - [ -0.0066790000000000, 0.0071949800000000, -0.0008475800000000 ] - [ 0.0004923500000000, -0.0003841500000000, -0.0010174600000000 ] - [ 0.0020310800000000, 0.0007993600000000, -0.0038523100000000 ] - [ -0.0017831400000000, 0.0011049400000000, -0.0056896500000000 ] - [ -0.0000440400000000, -0.0010434300000000, -0.0010826300000000 ] - [ -0.0007845400000000, -0.0008554100000000, -0.0007700900000000 ] - [ -0.0012079500000000, 0.0013652100000000, -0.0019857100000000 ] - [ 0.0005721800000000, 0.0000774600000000, -0.0023447100000000 ] - [ 0.0008201200000000, 0.0002785900000000, -0.0027048400000000 ] - [ 0.0001433200000000, 0.0003494500000000, -0.0013764200000000 ] - [ -0.0000399400000000, -0.0003332700000000, -0.0011191800000000 ] - [ 0.0005051600000000, 0.0003354100000000, 0.0019931700000000 ] - [ 0.0005898300000000, 0.0000319700000000, 0.0021019300000000 ] - [ 0.0002428300000000, 0.0005483600000000, -0.0007781800000000 ] - [ 0.0007544900000000, -0.0001169600000000, -0.0015519400000000 ] - [ -0.0261987400000000, 0.0978311700000000, 0.3181400100000000 ] - [ -0.0001309000000000, 0.0001694100000000, 0.0031940000000000 ] - [ 0.0170958000000000, 0.0007653200000000, -0.0332665200000000 ] - [ 0.0003379900000000, -0.0010198500000000, 0.0005507600000000 ] - [ -0.0003567300000000, 0.0002765800000000, -0.0008644800000000 ] - [ -0.0001487700000000, -0.0011437600000000, -0.0011980600000000 ] - [ -0.0013037100000000, 0.0008882500000000, 0.0021150000000000 ] - [ -0.0001944800000000, -0.0005413000000000, 0.0012647400000000 ] - [ -0.0010755000000000, -0.0018071300000000, 0.0017784900000000 ] - [ 0.0002793800000000, 0.0000807600000000, 0.0012340600000000 ] - [ -0.0001347700000000, -0.0002583900000000, -0.0014746300000000 ] - [ -0.0004929300000000, -0.0004481400000000, -0.0008495200000000 ] - [ 0.0066940100000000, -0.0020609300000000, -0.0011625500000000 ] - [ 0.0005831800000000, 0.0000859600000000, 0.0006101000000000 ] - [ -0.0003711700000000, -0.0002110600000000, -0.0026427800000000 ] - [ -0.0004794500000000, -0.0000959300000000, -0.0009615800000000 ] - [ -0.0003558500000000, -0.0008014600000000, -0.0030626700000000 ] - [ -0.0002427000000000, -0.0003984300000000, -0.0037142400000000 ] - [ 0.0005563300000000, 0.0029642400000000, 0.0002312900000000 ] - [ 0.0024153200000000, -0.0064994500000000, -0.0052503300000000 ] - [ 0.0017279500000000, -0.0007430500000000, 0.0011871200000000 ] - [ 0.0027578800000000, 0.0020615200000000, 0.0019767400000000 ] - [ 0.0016687700000000, -0.0008359900000000, -0.0047857400000000 ] - [ 0.0002418800000000, -0.0007032100000000, -0.0007800700000000 ] - [ 0.0005913400000000, 0.0014909400000000, 0.0001866300000000 ] - [ 0.0013497200000000, -0.0017418100000000, -0.0003844000000000 ] - [ -0.0001530200000000, 0.0006267500000000, -0.0010555900000000 ] - [ -0.0006135800000000, -0.0004143600000000, -0.0023740200000000 ] - [ 0.0005332800000000, 0.0018630000000000, 0.0036309100000000 ] - [ 0.0010655200000000, -0.0019688200000000, 0.0036596500000000 ] - [ 0.0015356300000000, -0.0005875600000000, -0.0029059000000000 ] - [ 0.0002224200000000, 0.0011274800000000, -0.0010545700000000 ] - [ -0.0124650400000000, -0.0095245400000000, -0.0170478800000000 ] - [ 0.0001022800000000, 0.0007053800000000, 0.0008248900000000 ] - [ -0.0017189800000000, 0.0002169500000000, 0.0069807800000000 ] - [ -0.0005414800000000, -0.0005107300000000, 0.0023658900000000 ] - [ -0.0010548700000000, -0.0006888300000000, -0.0031027900000000 ] - [ -0.0003704500000000, 0.0009498700000000, -0.0010524600000000 ] - [ 0.0036344700000000, -0.0128751500000000, -0.0015817000000000 ] - [ 0.0002161100000000, 0.0018902700000000, 0.0022277100000000 ] - [ -0.0042475100000000, 0.0039809800000000, 0.0003205400000000 ] - [ -0.0007244300000000, -0.0012923500000000, 0.0011743400000000 ] - [ -0.0082635200000000, -0.0020143900000000, -0.0042293800000000 ] - [ -0.0004916600000000, 0.0000436400000000, 0.0005273700000000 ] - [ 0.0004946300000000, -0.0001066500000000, -0.0042857100000000 ] - [ 0.0003395300000000, -0.0001201200000000, -0.0010733800000000 ] - [ -0.0016353200000000, 0.0012772200000000, 0.0001557900000000 ] - [ -0.0003567500000000, -0.0000493100000000, -0.0000347100000000 ] - [ -0.0009362500000000, -0.0022697200000000, -0.0023185600000000 ] - [ -0.0016688700000000, 0.0014320800000000, -0.0024049300000000 ]- atom: 67 displacement: [ 0.0099999999631191, 0.0000000000000000, -0.0000008588465536 ] forces: - [ -0.0100255700000000, 0.0005106700000000, 0.0003732400000000 ] - [ -0.0016830900000000, 0.0002131800000000, -0.0001074700000000 ] - [ 0.0000496900000000, -0.0005179300000000, 0.0003726800000000 ] - [ 0.0003151200000000, 0.0004152700000000, 0.0002138400000000 ] - [ 0.0001143700000000, -0.0040875200000000, -0.0033643000000000 ] - [ -0.0009902300000000, 0.0033832100000000, -0.0036209300000000 ] - [ 0.0007401800000000, 0.0010334600000000, 0.0102574800000000 ] - [ 0.0005765100000000, 0.0000441300000000, 0.0007683500000000 ] - [ 0.0099010100000000, 0.0032852100000000, 0.0005930300000000 ] - [ 0.0073993400000000, -0.0029542600000000, 0.0008041500000000 ] - [ -0.0006468000000000, -0.0000506000000000, -0.0007168400000000 ] - [ -0.0004165200000000, 0.0000180900000000, -0.0006054000000000 ] - [ 0.0000463300000000, -0.0002293400000000, -0.0018552200000000 ] - [ -0.0001024500000000, 0.0001862000000000, -0.0004389200000000 ] - [ 0.0004851900000000, -0.0001978300000000, -0.0004889500000000 ] - [ 0.0004264400000000, -0.0000063600000000, -0.0007036300000000 ] - [ 0.0100816400000000, -0.0023726400000000, 0.0033234400000000 ] - [ 0.0006754800000000, -0.0000644200000000, 0.0008040000000000 ] - [ -0.0005884800000000, 0.0001006400000000, 0.0009201700000000 ] - [ -0.0005289400000000, 0.0001472100000000, 0.0007140900000000 ] - [ -0.0019812600000000, 0.0012200700000000, -0.0017815100000000 ] - [ -0.0014979000000000, -0.0007418400000000, -0.0003118700000000 ] - [ 0.0009464700000000, -0.0005212300000000, -0.0022724100000000 ] - [ 0.0003093100000000, 0.0000907100000000, 0.0000333400000000 ] - [ -0.0021533500000000, -0.0035908800000000, 0.0037971300000000 ] - [ -0.0020550200000000, 0.0050116500000000, 0.0034474000000000 ] - [ 0.0002646900000000, -0.0004235000000000, -0.0007203100000000 ] - [ 0.0001305800000000, 0.0002087000000000, -0.0007107000000000 ] - [ -0.0002610600000000, 0.0000353900000000, 0.0004070700000000 ] - [ -0.0002489200000000, 0.0001763800000000, 0.0001645900000000 ] - [ 0.0145513800000000, 0.0008647200000000, 0.0045639400000000 ] - [ 0.0000132100000000, 0.0001691700000000, -0.0000097900000000 ] - [ 0.0007903300000000, 0.0002898600000000, 0.0011838100000000 ] - [ 0.0019385900000000, 0.0000837000000000, 0.0005205800000000 ] - [ -0.0065268500000000, 0.0052856100000000, 0.0039545900000000 ] - [ -0.0046996600000000, -0.0071596500000000, -0.0015089000000000 ] - [ 0.0002041700000000, 0.0007064100000000, -0.0001308900000000 ] - [ 0.0004028800000000, 0.0002253900000000, -0.0008021300000000 ] - [ 0.0050931800000000, 0.0029539700000000, 0.0000956300000000 ] - [ 0.0038986200000000, -0.0027221000000000, -0.0003804100000000 ] - [ -0.0016563500000000, 0.0001878300000000, -0.0006109200000000 ] - [ -0.0005767500000000, 0.0005481900000000, 0.0007505700000000 ] - [ -0.0006600200000000, -0.0004782900000000, -0.0015213300000000 ] - [ -0.0005070300000000, -0.0005531900000000, -0.0014359400000000 ] - [ 0.1600446700000000, -0.0111082100000000, 0.0730371200000000 ] - [ 0.0024900000000000, 0.0001911600000000, -0.0004951800000000 ] - [ -0.0039250600000000, 0.0002681100000000, 0.0014150700000000 ] - [ -0.0008168400000000, -0.0002833100000000, 0.0007995700000000 ] - [ -0.0012194800000000, 0.0009918000000000, -0.0010603800000000 ] - [ -0.0001175300000000, -0.0000803700000000, -0.0001733400000000 ] - [ 0.0163551200000000, -0.0151688500000000, 0.0001326300000000 ] - [ 0.0006603600000000, 0.0015476500000000, 0.0005716700000000 ] - [ 0.0003063600000000, -0.0002756200000000, 0.0006475700000000 ] - [ -0.0000735000000000, -0.0000092700000000, 0.0001459200000000 ] - [ -0.0008829100000000, -0.0024792000000000, 0.0112444100000000 ] - [ -0.0003661900000000, 0.0002221200000000, -0.0003477200000000 ] - [ 0.0221132100000000, 0.0137270200000000, 0.0107619800000000 ] - [ -0.0006845200000000, -0.0024180400000000, 0.0001590500000000 ] - [ -0.0000891900000000, 0.0004639200000000, -0.0028077300000000 ] - [ 0.0003400700000000, -0.0000987100000000, -0.0005636800000000 ] - [ 0.0270760000000000, -0.0209849900000000, 0.0032181700000000 ] - [ -0.0004119900000000, 0.0019731000000000, -0.0004028000000000 ] - [ 0.0004706400000000, 0.0001029700000000, 0.0016354900000000 ] - [ 0.0007266300000000, 0.0005090500000000, 0.0014424200000000 ] - [ 0.0002256100000000, 0.0000561700000000, 0.0003575400000000 ] - [ 0.0002672800000000, 0.0001346900000000, 0.0003761000000000 ] - [ -0.2676752200000000, 0.0234276300000000, -0.1166807200000000 ] - [ -0.0010460500000000, -0.0004103700000000, -0.0000941800000000 ] - [ -0.0002818200000000, 0.0001251500000000, 0.0000841900000000 ] - [ -0.0002181800000000, -0.0002004700000000, 0.0000777300000000 ] - [ 0.0002985900000000, -0.0002791400000000, 0.0003265700000000 ] - [ 0.0001266800000000, -0.0005756500000000, 0.0003670700000000 ] - [ -0.0013430000000000, -0.0002905100000000, -0.0004593500000000 ] - [ -0.0013469300000000, -0.0009826400000000, 0.0001596000000000 ] - [ 0.0008039000000000, -0.0000298400000000, -0.0002982100000000 ] - [ 0.0018091100000000, -0.0006060100000000, -0.0011572800000000 ] - [ -0.0037774500000000, -0.0010829500000000, -0.0010932700000000 ] - [ -0.0021822500000000, -0.0002096800000000, -0.0001188500000000 ] - [ 0.0024152700000000, -0.0005541800000000, 0.0004653200000000 ] - [ 0.0007229000000000, 0.0000556600000000, -0.0008712000000000 ] - [ 0.0036375700000000, 0.0007675300000000, 0.0015079300000000 ] - [ 0.0004679000000000, 0.0003362800000000, 0.0001201500000000 ] - [ -0.0001714000000000, 0.0002089400000000, 0.0004492200000000 ] - [ 0.0002600800000000, 0.0003257400000000, 0.0005008800000000 ] - [ 0.0063715500000000, -0.0006683200000000, -0.0002955400000000 ] - [ 0.0058085200000000, -0.0002709400000000, 0.0012478600000000 ] - [ 0.0027210900000000, 0.0002220100000000, -0.0026362800000000 ] - [ 0.0002473900000000, -0.0001892500000000, -0.0005324300000000 ] - [ 0.0141849300000000, 0.0101622100000000, -0.0039208600000000 ] - [ 0.0004509700000000, -0.0018997900000000, -0.0007715200000000 ] - [ 0.0007288700000000, 0.0002515500000000, -0.0010984000000000 ] - [ 0.0000590400000000, 0.0002454400000000, -0.0007679700000000 ] - [ -0.0008556300000000, 0.0000950300000000, -0.0009812800000000 ] - [ -0.0005548000000000, 0.0004940300000000, -0.0002398900000000 ] - [ 0.0007835700000000, 0.0006427600000000, 0.0005251100000000 ] - [ 0.0006952300000000, 0.0004684100000000, 0.0005159200000000 ] - [ -0.0017869800000000, -0.0004166900000000, 0.0009901200000000 ] - [ -0.0017507900000000, 0.0003729200000000, 0.0016492600000000 ] - [ 0.0010723200000000, 0.0004903800000000, 0.0009794100000000 ] - [ 0.0007520800000000, -0.0003602700000000, 0.0003991000000000 ] - [ 0.0001235900000000, -0.0003788200000000, 0.0005980200000000 ] - [ -0.0000176000000000, -0.0003540100000000, 0.0003661600000000 ] - [ -0.0007054500000000, -0.0028916200000000, 0.0060501200000000 ] - [ -0.0004425600000000, 0.0009446300000000, 0.0003030400000000 ] - [ -0.0014245000000000, -0.0012973800000000, 0.0004408900000000 ] - [ -0.0015634100000000, 0.0053990500000000, 0.0060558400000000 ] - [ 0.0025410600000000, -0.0015129800000000, -0.0013986200000000 ] - [ 0.0011011200000000, 0.0012785400000000, -0.0004176900000000 ] - [ -0.0031515300000000, 0.0022732900000000, -0.0027305000000000 ] - [ -0.0028894300000000, -0.0002992800000000, -0.0017418900000000 ] - [ 0.0008193600000000, -0.0002944500000000, 0.0001467300000000 ] - [ 0.0001450900000000, -0.0005366300000000, -0.0000785300000000 ]- atom: 67 displacement: [ -0.0099999999631191, 0.0000000000000000, 0.0000008588465536 ] forces: - [ 0.0096881100000000, -0.0004760700000000, -0.0010136900000000 ] - [ 0.0013350400000000, -0.0001830500000000, -0.0005245300000000 ] - [ 0.0002703200000000, 0.0006171800000000, -0.0004906300000000 ] - [ 0.0000120400000000, -0.0003183600000000, -0.0003373300000000 ] - [ 0.0002036400000000, 0.0040023600000000, 0.0032578800000000 ] - [ 0.0013058300000000, -0.0034708000000000, 0.0035223300000000 ] - [ -0.0009448200000000, -0.0011277000000000, -0.0102172500000000 ] - [ -0.0008988900000000, -0.0001445200000000, -0.0006471600000000 ] - [ -0.0097502900000000, -0.0032180900000000, -0.0012348300000000 ] - [ -0.0072550600000000, 0.0030849700000000, -0.0014492000000000 ] - [ 0.0002992900000000, 0.0000156100000000, 0.0000767800000000 ] - [ 0.0000686000000000, -0.0000498700000000, -0.0000302800000000 ] - [ -0.0003737300000000, 0.0003270000000000, 0.0019770100000000 ] - [ -0.0002288100000000, -0.0000906500000000, 0.0005595600000000 ] - [ -0.0003492500000000, 0.0001161900000000, -0.0001487300000000 ] - [ -0.0002892900000000, -0.0000746700000000, 0.0000614900000000 ] - [ -0.0103477100000000, 0.0023509100000000, -0.0024988100000000 ] - [ -0.0008168700000000, -0.0000207600000000, -0.0001661400000000 ] - [ 0.0009363300000000, -0.0000669000000000, -0.0002764400000000 ] - [ 0.0008752200000000, -0.0001120900000000, -0.0000675700000000 ] - [ 0.0023303400000000, -0.0012452000000000, 0.0023994200000000 ] - [ 0.0018508500000000, 0.0007046400000000, 0.0009436500000000 ] - [ -0.0010818500000000, 0.0005982100000000, 0.0028873600000000 ] - [ -0.0004501800000000, -0.0000089100000000, 0.0006073400000000 ] - [ 0.0026068500000000, 0.0037996300000000, -0.0042659000000000 ] - [ 0.0025186000000000, -0.0048250700000000, -0.0039150200000000 ] - [ 0.0001971600000000, 0.0002090000000000, 0.0002778100000000 ] - [ 0.0003325400000000, -0.0004169800000000, 0.0002641900000000 ] - [ -0.0002024000000000, 0.0001789300000000, 0.0000411400000000 ] - [ -0.0002145100000000, 0.0000327400000000, 0.0002818400000000 ] - [ -0.0136299900000000, -0.0008788400000000, -0.0031595700000000 ] - [ -0.0004685500000000, -0.0003733500000000, 0.0004519300000000 ] - [ -0.0009663000000000, -0.0005771300000000, -0.0000797700000000 ] - [ -0.0021112700000000, -0.0003671600000000, 0.0005985500000000 ] - [ 0.0061301100000000, -0.0045238800000000, -0.0056508800000000 ] - [ 0.0043076700000000, 0.0078820500000000, -0.0002077600000000 ] - [ -0.0000251300000000, -0.0004203700000000, -0.0009955900000000 ] - [ -0.0002229200000000, 0.0000605000000000, -0.0003220800000000 ] - [ -0.0052609200000000, -0.0026792500000000, 0.0010452500000000 ] - [ -0.0040940000000000, 0.0030205600000000, 0.0015173800000000 ] - [ 0.0020457300000000, 0.0005576800000000, 0.0023333100000000 ] - [ 0.0009763700000000, 0.0002011500000000, 0.0009638800000000 ] - [ 0.0002603700000000, -0.0002703900000000, -0.0001893000000000 ] - [ 0.0001063600000000, -0.0001966600000000, -0.0002775700000000 ] - [ -0.1681973300000000, 0.0118248400000000, -0.0804110700000000 ] - [ -0.0023231800000000, -0.0004785800000000, -0.0006302000000000 ] - [ 0.0043189500000000, -0.0010174900000000, 0.0002871800000000 ] - [ 0.0012154500000000, -0.0004662200000000, 0.0009074200000000 ] - [ 0.0015024900000000, -0.0010048200000000, 0.0010815200000000 ] - [ 0.0004048500000000, 0.0000680400000000, 0.0002028300000000 ] - [ -0.0157082600000000, 0.0147325400000000, 0.0002890300000000 ] - [ -0.0001985400000000, -0.0017855600000000, -0.0001813100000000 ] - [ -0.0007720000000000, 0.0000287500000000, -0.0010330700000000 ] - [ -0.0003983300000000, -0.0002376200000000, -0.0005375200000000 ] - [ 0.0022284100000000, 0.0025226800000000, -0.0122785400000000 ] - [ 0.0015913200000000, -0.0001560400000000, -0.0007679800000000 ] - [ -0.0227363800000000, -0.0139899500000000, -0.0109892600000000 ] - [ 0.0003972900000000, 0.0024139700000000, -0.0001872600000000 ] - [ 0.0013069100000000, -0.0005295400000000, 0.0016959100000000 ] - [ 0.0008786500000000, 0.0000341000000000, -0.0005493100000000 ] - [ -0.0270541000000000, 0.0223014200000000, -0.0029984100000000 ] - [ 0.0008571600000000, -0.0010783800000000, 0.0007068300000000 ] - [ -0.0000133200000000, 0.0004942400000000, -0.0000229200000000 ] - [ -0.0002703400000000, 0.0000922400000000, 0.0001752400000000 ] - [ 0.0002448800000000, 0.0001913000000000, 0.0000294800000000 ] - [ 0.0002035700000000, 0.0001127600000000, 0.0000092500000000 ] - [ 0.2759409200000000, -0.0255729100000000, 0.1228296700000000 ] - [ 0.0019863300000000, -0.0003260000000000, 0.0008585600000000 ] - [ -0.0000116900000000, -0.0001072200000000, -0.0001081200000000 ] - [ -0.0000732700000000, 0.0002159300000000, -0.0001017800000000 ] - [ 0.0001395300000000, -0.0006163600000000, -0.0000270600000000 ] - [ 0.0003104800000000, -0.0003212200000000, -0.0000686800000000 ] - [ 0.0004141900000000, -0.0004452600000000, -0.0002950000000000 ] - [ 0.0004109200000000, 0.0002388900000000, -0.0009171400000000 ] - [ -0.0005510000000000, -0.0006369700000000, 0.0000210000000000 ] - [ -0.0015569100000000, -0.0000584000000000, 0.0008857000000000 ] - [ 0.0025494800000000, 0.0011761800000000, 0.0022539600000000 ] - [ 0.0009586300000000, 0.0002681600000000, 0.0012391900000000 ] - [ -0.0028669200000000, -0.0000448000000000, -0.0020932800000000 ] - [ -0.0011859900000000, -0.0006544700000000, -0.0007384600000000 ] - [ -0.0042558500000000, 0.0002549100000000, -0.0018466000000000 ] - [ -0.0010927800000000, 0.0006827400000000, -0.0004684500000000 ] - [ 0.0010999900000000, 0.0005292900000000, 0.0003109000000000 ] - [ 0.0006730000000000, 0.0004129000000000, 0.0002600500000000 ] - [ -0.0057381800000000, -0.0003622200000000, 0.0006498700000000 ] - [ -0.0051871600000000, -0.0007317200000000, -0.0008874200000000 ] - [ -0.0031846300000000, 0.0000224000000000, 0.0022626900000000 ] - [ -0.0007195400000000, 0.0004378800000000, 0.0001500400000000 ] - [ -0.0143005100000000, -0.0093948300000000, 0.0041443100000000 ] - [ -0.0007109600000000, 0.0025540700000000, 0.0010460200000000 ] - [ -0.0011878100000000, 0.0003480600000000, -0.0005088100000000 ] - [ -0.0005205600000000, 0.0003536600000000, -0.0008427900000000 ] - [ 0.0004096500000000, 0.0007980200000000, 0.0006847700000000 ] - [ 0.0001155600000000, 0.0004043800000000, -0.0000592800000000 ] - [ -0.0001600500000000, 0.0003773900000000, -0.0001727600000000 ] - [ -0.0000715200000000, 0.0005509300000000, -0.0001650200000000 ] - [ 0.0005651700000000, 0.0003529800000000, 0.0001183300000000 ] - [ 0.0005342200000000, -0.0004373900000000, -0.0005408800000000 ] - [ -0.0008195800000000, 0.0001817700000000, -0.0012654400000000 ] - [ -0.0005027800000000, 0.0010259700000000, -0.0006826700000000 ] - [ -0.0003752200000000, -0.0002885200000000, -0.0003178400000000 ] - [ -0.0002328400000000, -0.0003143900000000, -0.0000863800000000 ] - [ 0.0009781200000000, 0.0029087200000000, -0.0060199200000000 ] - [ 0.0007349500000000, -0.0009295000000000, -0.0002772900000000 ] - [ 0.0009777900000000, 0.0004035300000000, -0.0007421200000000 ] - [ 0.0010964000000000, -0.0063046800000000, -0.0063596900000000 ] - [ -0.0020812300000000, 0.0009063000000000, 0.0030001700000000 ] - [ -0.0006445300000000, -0.0018677500000000, 0.0020248300000000 ] - [ 0.0022345200000000, -0.0015141600000000, 0.0019474300000000 ] - [ 0.0019661400000000, 0.0010359100000000, 0.0009860000000000 ] - [ -0.0014446800000000, -0.0007239700000000, -0.0005034300000000 ] - [ -0.0007725400000000, -0.0004835300000000, -0.0002770900000000 ]- atom: 67 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002640500000000, 0.0050747200000000, -0.0001715600000000 ] - [ -0.0001619400000000, -0.0022015300000000, -0.0001884600000000 ] - [ -0.0005064200000000, 0.0007101500000000, 0.0008705200000000 ] - [ 0.0005419800000000, -0.0004974300000000, -0.0006588500000000 ] - [ -0.0008728200000000, -0.0018989500000000, -0.0025945100000000 ] - [ 0.0012846500000000, -0.0020160600000000, 0.0026315300000000 ] - [ 0.0006050900000000, 0.0075976700000000, -0.0002399500000000 ] - [ -0.0001970300000000, -0.0025678000000000, -0.0000034700000000 ] - [ 0.0011027400000000, -0.0005757400000000, 0.0005076900000000 ] - [ -0.0017612900000000, -0.0122415300000000, 0.0006250800000000 ] - [ -0.0000838600000000, 0.0004239100000000, -0.0002851500000000 ] - [ -0.0001798200000000, -0.0004330400000000, -0.0003329700000000 ] - [ -0.0004406500000000, 0.0021134600000000, -0.0006017900000000 ] - [ -0.0000410600000000, -0.0012895000000000, 0.0003390700000000 ] - [ -0.0000145500000000, 0.0002087200000000, -0.0003060700000000 ] - [ 0.0000651700000000, -0.0002990600000000, -0.0005144600000000 ] - [ -0.0008235400000000, 0.0085777400000000, -0.0008996000000000 ] - [ -0.0003059800000000, -0.0027676500000000, 0.0008264200000000 ] - [ 0.0005394000000000, 0.0000647900000000, -0.0003155000000000 ] - [ 0.0000337700000000, -0.0001237800000000, 0.0008531300000000 ] - [ 0.0012348000000000, -0.0002035600000000, 0.0020045600000000 ] - [ -0.0009469500000000, -0.0006647600000000, -0.0005639900000000 ] - [ -0.0004535500000000, 0.0013298800000000, 0.0014097300000000 ] - [ -0.0001080500000000, -0.0009919700000000, 0.0001392400000000 ] - [ -0.0019222500000000, -0.0008655200000000, 0.0019911900000000 ] - [ 0.0015790500000000, -0.0033310900000000, -0.0024050500000000 ] - [ -0.0000234500000000, 0.0000729700000000, -0.0004790400000000 ] - [ 0.0003721400000000, -0.0003246200000000, -0.0000054300000000 ] - [ -0.0002670000000000, 0.0008654100000000, 0.0002274200000000 ] - [ -0.0001328500000000, -0.0006033400000000, 0.0000254600000000 ] - [ 0.0000917100000000, 0.0096484600000000, 0.0004399900000000 ] - [ 0.0000156800000000, -0.0028016200000000, 0.0004127700000000 ] - [ 0.0009442000000000, -0.0007408900000000, -0.0042920200000000 ] - [ -0.0008702700000000, -0.0002375100000000, 0.0029059000000000 ] - [ 0.0020479300000000, -0.0020114000000000, -0.0044876500000000 ] - [ -0.0009972400000000, -0.0027423700000000, 0.0003267700000000 ] - [ 0.0003084800000000, 0.0006829500000000, -0.0006441500000000 ] - [ -0.0000680300000000, -0.0005749700000000, -0.0006071300000000 ] - [ 0.0018864600000000, -0.0004796100000000, 0.0045685100000000 ] - [ 0.0013275900000000, -0.0037257000000000, -0.0023957100000000 ] - [ 0.0005924700000000, 0.0020527400000000, 0.0014403900000000 ] - [ 0.0001934500000000, -0.0008295700000000, 0.0004562700000000 ] - [ -0.0000230000000000, 0.0000991000000000, -0.0004503900000000 ] - [ -0.0002100400000000, -0.0009026100000000, -0.0013331900000000 ] - [ -0.0111909000000000, 0.0422647400000000, -0.0089547900000000 ] - [ 0.0000131500000000, -0.0042165100000000, -0.0009052400000000 ] - [ 0.0003405900000000, 0.0011575700000000, 0.0005579600000000 ] - [ 0.0003745600000000, -0.0017612900000000, 0.0009148700000000 ] - [ 0.0006684900000000, -0.0006618100000000, -0.0005076200000000 ] - [ -0.0005287100000000, 0.0012729900000000, 0.0010867600000000 ] - [ -0.0110544700000000, 0.0037679500000000, -0.0000270800000000 ] - [ 0.0013486400000000, 0.0020060300000000, 0.0002617200000000 ] - [ -0.0006239100000000, -0.0004639800000000, -0.0006313700000000 ] - [ -0.0000561700000000, 0.0003137100000000, -0.0000017100000000 ] - [ -0.0038793200000000, -0.0064458600000000, -0.0096370500000000 ] - [ 0.0006122400000000, 0.0018060300000000, -0.0004778600000000 ] - [ 0.0183851600000000, -0.0005327700000000, 0.0066734600000000 ] - [ -0.0001015700000000, 0.0031080200000000, -0.0003542400000000 ] - [ 0.0007011100000000, -0.0009775300000000, 0.0001394800000000 ] - [ 0.0006334300000000, 0.0007546700000000, -0.0004823000000000 ] - [ -0.0264303900000000, 0.0051587900000000, -0.0022243300000000 ] - [ 0.0007634900000000, 0.0034970900000000, 0.0005496900000000 ] - [ 0.0000554300000000, 0.0004423800000000, 0.0001589300000000 ] - [ 0.0005033700000000, 0.0003152900000000, 0.0015942000000000 ] - [ 0.0001180600000000, 0.0001951900000000, 0.0002282100000000 ] - [ 0.0003020400000000, 0.0000631300000000, 0.0002499700000000 ] - [ 0.0246788300000000, -0.0663062500000000, 0.0074544000000000 ] - [ 0.0004192000000000, 0.0045400900000000, 0.0003014600000000 ] - [ -0.0000760700000000, 0.0003232600000000, -0.0000025700000000 ] - [ -0.0002036800000000, -0.0002342800000000, 0.0000022600000000 ] - [ 0.0001124500000000, -0.0009961300000000, 0.0001545500000000 ] - [ 0.0002683300000000, -0.0000132000000000, 0.0001269500000000 ] - [ 0.0001419800000000, -0.0002225000000000, 0.0011820400000000 ] - [ -0.0005483500000000, -0.0002303300000000, -0.0011234500000000 ] - [ 0.0006035400000000, 0.0004631900000000, -0.0006064800000000 ] - [ -0.0004320900000000, -0.0009536600000000, 0.0007581500000000 ] - [ -0.0014841200000000, 0.0027902200000000, 0.0099211300000000 ] - [ -0.0002760200000000, 0.0016651400000000, -0.0022290500000000 ] - [ -0.0006703900000000, -0.0017213100000000, -0.0017333400000000 ] - [ -0.0000116800000000, 0.0006963300000000, -0.0003795000000000 ] - [ -0.0001330600000000, -0.0010079300000000, -0.0000278000000000 ] - [ -0.0004270500000000, 0.0016556100000000, -0.0002657900000000 ] - [ 0.0006258100000000, -0.0000085800000000, 0.0003450300000000 ] - [ 0.0005125300000000, 0.0008244400000000, 0.0004442200000000 ] - [ -0.0004960300000000, 0.0007298700000000, -0.0001017500000000 ] - [ -0.0002985100000000, 0.0008393100000000, 0.0005823400000000 ] - [ -0.0000545400000000, -0.0020951500000000, -0.0007162800000000 ] - [ -0.0004633000000000, 0.0014042200000000, 0.0000495300000000 ] - [ 0.0071712800000000, 0.0011509000000000, -0.0019364500000000 ] - [ -0.0008093400000000, 0.0026614500000000, 0.0007731600000000 ] - [ -0.0001525100000000, -0.0003243400000000, -0.0006955500000000 ] - [ -0.0003242100000000, 0.0008665700000000, -0.0008912300000000 ] - [ -0.0007540700000000, -0.0005726600000000, 0.0011479900000000 ] - [ 0.0001255100000000, 0.0011820000000000, -0.0007725900000000 ] - [ 0.0001976600000000, 0.0003125300000000, 0.0001408400000000 ] - [ 0.0003687900000000, 0.0007297200000000, 0.0002486600000000 ] - [ -0.0007980900000000, 0.0002465800000000, -0.0011641700000000 ] - [ -0.0011172400000000, 0.0002673300000000, 0.0023251700000000 ] - [ 0.0001973700000000, -0.0007473600000000, 0.0003181700000000 ] - [ -0.0001448100000000, 0.0012644500000000, -0.0004444800000000 ] - [ -0.0001356100000000, -0.0008844100000000, 0.0000964400000000 ] - [ -0.0001642600000000, 0.0001751800000000, 0.0001876500000000 ] - [ -0.0012074100000000, -0.0015843800000000, -0.0033977200000000 ] - [ 0.0004097800000000, 0.0023725200000000, 0.0004265800000000 ] - [ -0.0010859400000000, 0.0011757500000000, -0.0020635600000000 ] - [ 0.0024900700000000, 0.0039241000000000, 0.0080831500000000 ] - [ -0.0003828600000000, -0.0008375100000000, 0.0024766100000000 ] - [ 0.0003421300000000, 0.0008429600000000, -0.0003000100000000 ] - [ 0.0014127300000000, 0.0028515900000000, -0.0060672600000000 ] - [ -0.0011376200000000, 0.0022506600000000, 0.0013912400000000 ] - [ -0.0005266700000000, -0.0011448900000000, -0.0003412700000000 ] - [ -0.0003360000000000, 0.0000355600000000, -0.0001146400000000 ]- atom: 67 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006217900000000, -0.0050418900000000, -0.0004551900000000 ] - [ -0.0001735500000000, 0.0022365200000000, -0.0004371300000000 ] - [ 0.0008458600000000, -0.0006230800000000, -0.0009861100000000 ] - [ -0.0002021800000000, 0.0005976000000000, 0.0005437600000000 ] - [ 0.0012193600000000, 0.0017808600000000, 0.0024766300000000 ] - [ -0.0009543200000000, 0.0019544100000000, -0.0027480900000000 ] - [ -0.0009040000000000, -0.0077083000000000, 0.0003263100000000 ] - [ -0.0001458700000000, 0.0024760400000000, 0.0001288500000000 ] - [ -0.0009276500000000, -0.0001842000000000, -0.0011729500000000 ] - [ 0.0018976600000000, 0.0124786300000000, -0.0012666100000000 ] - [ -0.0002526700000000, -0.0004602300000000, -0.0003515500000000 ] - [ -0.0001560400000000, 0.0003993300000000, -0.0003004500000000 ] - [ 0.0001023300000000, -0.0020136400000000, 0.0007142800000000 ] - [ -0.0002996100000000, 0.0013848200000000, -0.0002344900000000 ] - [ 0.0001532900000000, -0.0003070300000000, -0.0003455000000000 ] - [ 0.0000741700000000, 0.0002057600000000, -0.0001417700000000 ] - [ 0.0006780000000000, -0.0086910400000000, 0.0016086800000000 ] - [ 0.0001785400000000, 0.0026794000000000, -0.0001894800000000 ] - [ -0.0002074400000000, -0.0000349800000000, 0.0009484300000000 ] - [ 0.0002996900000000, 0.0001646400000000, -0.0002187800000000 ] - [ -0.0009056000000000, 0.0001626800000000, -0.0013787000000000 ] - [ 0.0012750800000000, 0.0006356300000000, 0.0011931400000000 ] - [ 0.0003205800000000, -0.0012449200000000, -0.0007903200000000 ] - [ -0.0000290800000000, 0.0010904600000000, 0.0005170800000000 ] - [ 0.0023722600000000, 0.0010421300000000, -0.0024107000000000 ] - [ -0.0011322400000000, 0.0035561800000000, 0.0019806200000000 ] - [ 0.0004709000000000, -0.0002899400000000, 0.0000436000000000 ] - [ 0.0000735800000000, 0.0001219100000000, -0.0004334200000000 ] - [ -0.0001805100000000, -0.0006552100000000, 0.0002049800000000 ] - [ -0.0003156100000000, 0.0008142400000000, 0.0004087500000000 ] - [ -0.0005453800000000, -0.0098716400000000, -0.0000183800000000 ] - [ -0.0004744300000000, 0.0026059200000000, 0.0000128000000000 ] - [ -0.0011413000000000, 0.0004488400000000, 0.0054368900000000 ] - [ 0.0006838900000000, -0.0000274500000000, -0.0017678400000000 ] - [ -0.0024788400000000, 0.0027433200000000, 0.0027951000000000 ] - [ 0.0005653100000000, 0.0035061500000000, -0.0020160500000000 ] - [ -0.0001163500000000, -0.0003938100000000, -0.0004827100000000 ] - [ 0.0002625600000000, 0.0008620400000000, -0.0005223900000000 ] - [ -0.0020905000000000, 0.0007326700000000, -0.0034672000000000 ] - [ -0.0015193800000000, 0.0040129700000000, 0.0035126700000000 ] - [ -0.0001876100000000, -0.0013132700000000, 0.0002482200000000 ] - [ 0.0002205000000000, 0.0015796500000000, 0.0012408800000000 ] - [ -0.0003943900000000, -0.0008483300000000, -0.0012466700000000 ] - [ -0.0002066100000000, 0.0001587900000000, -0.0003662400000000 ] - [ 0.0120171900000000, -0.0428279100000000, 0.0082081500000000 ] - [ 0.0002123300000000, 0.0039421800000000, -0.0001993400000000 ] - [ 0.0000670900000000, -0.0019021700000000, 0.0011430600000000 ] - [ 0.0000379800000000, 0.0010156500000000, 0.0007760800000000 ] - [ -0.0003723100000000, 0.0006415200000000, 0.0005297700000000 ] - [ 0.0008326900000000, -0.0012846200000000, -0.0010722700000000 ] - [ 0.0116269100000000, -0.0040101600000000, 0.0004280500000000 ] - [ -0.0008373000000000, -0.0022604200000000, 0.0001235600000000 ] - [ 0.0001430900000000, 0.0002110100000000, 0.0002510900000000 ] - [ -0.0004316800000000, -0.0005650100000000, -0.0003867200000000 ] - [ 0.0051502700000000, 0.0064444100000000, 0.0086086800000000 ] - [ 0.0005982200000000, -0.0017402900000000, -0.0006491200000000 ] - [ -0.0187643500000000, 0.0005704400000000, -0.0067038200000000 ] - [ -0.0002160800000000, -0.0031369900000000, 0.0003288400000000 ] - [ 0.0005143600000000, 0.0009189100000000, -0.0012648700000000 ] - [ 0.0005822900000000, -0.0008226900000000, -0.0006266400000000 ] - [ 0.0266820300000000, -0.0043201600000000, 0.0025218100000000 ] - [ -0.0003551100000000, -0.0026056600000000, -0.0002542100000000 ] - [ 0.0004264100000000, 0.0001459600000000, 0.0014393000000000 ] - [ -0.0000206500000000, 0.0002696300000000, 0.0000057600000000 ] - [ 0.0003697900000000, 0.0000572000000000, 0.0001604700000000 ] - [ 0.0001841400000000, 0.0001860300000000, 0.0001402400000000 ] - [ -0.0243160800000000, 0.0667166300000000, -0.0071527900000000 ] - [ 0.0004952600000000, -0.0052819800000000, 0.0004536800000000 ] - [ -0.0002278800000000, -0.0003104100000000, -0.0000157300000000 ] - [ -0.0000988200000000, 0.0002439100000000, -0.0000212800000000 ] - [ 0.0003211600000000, 0.0001082300000000, 0.0001475400000000 ] - [ 0.0001628800000000, -0.0008806400000000, 0.0001762500000000 ] - [ -0.0010733700000000, -0.0005092300000000, -0.0019471100000000 ] - [ -0.0003854600000000, -0.0005165800000000, 0.0003658200000000 ] - [ -0.0003651600000000, -0.0011249800000000, 0.0003251200000000 ] - [ 0.0006766700000000, 0.0002853400000000, -0.0010434000000000 ] - [ 0.0002667900000000, -0.0027299400000000, -0.0088889000000000 ] - [ -0.0009466300000000, -0.0016062000000000, 0.0033129100000000 ] - [ 0.0002010100000000, 0.0011346300000000, 0.0001391200000000 ] - [ -0.0004686000000000, -0.0012806900000000, -0.0012191600000000 ] - [ -0.0004884500000000, 0.0020249800000000, -0.0003301800000000 ] - [ -0.0001917900000000, -0.0006375500000000, -0.0000888000000000 ] - [ 0.0002977000000000, 0.0007422000000000, 0.0004160600000000 ] - [ 0.0004157300000000, -0.0000904300000000, 0.0003173200000000 ] - [ 0.0011312900000000, -0.0017420300000000, 0.0004587500000000 ] - [ 0.0009320800000000, -0.0018654800000000, -0.0002252400000000 ] - [ -0.0004237300000000, 0.0023494900000000, 0.0003217100000000 ] - [ -0.0000271000000000, -0.0011572100000000, -0.0004354300000000 ] - [ -0.0073797800000000, -0.0005085900000000, 0.0022072500000000 ] - [ 0.0005879300000000, -0.0019944500000000, -0.0004943500000000 ] - [ -0.0003267600000000, 0.0009128600000000, -0.0009038200000000 ] - [ -0.0001561000000000, -0.0002813200000000, -0.0007028900000000 ] - [ 0.0003223900000000, 0.0014702400000000, -0.0014512700000000 ] - [ -0.0005572400000000, -0.0002944500000000, 0.0004669600000000 ] - [ 0.0004275700000000, 0.0007072100000000, 0.0002197500000000 ] - [ 0.0002561700000000, 0.0002859100000000, 0.0001114800000000 ] - [ -0.0004181600000000, -0.0003065200000000, 0.0022865900000000 ] - [ -0.0001008600000000, -0.0003347600000000, -0.0012071000000000 ] - [ 0.0000463600000000, 0.0014176700000000, -0.0005977800000000 ] - [ 0.0003873300000000, -0.0006079300000000, 0.0001622900000000 ] - [ -0.0001046500000000, 0.0002212700000000, 0.0001883000000000 ] - [ -0.0000749100000000, -0.0008425100000000, 0.0000976900000000 ] - [ 0.0015074700000000, 0.0016198200000000, 0.0034124300000000 ] - [ -0.0001072400000000, -0.0023647000000000, -0.0003993700000000 ] - [ 0.0006598000000000, -0.0020622500000000, 0.0017934500000000 ] - [ -0.0028945600000000, -0.0048096600000000, -0.0083240500000000 ] - [ 0.0008644700000000, 0.0002588800000000, -0.0008854600000000 ] - [ 0.0001425100000000, -0.0014364700000000, 0.0018935600000000 ] - [ -0.0023676400000000, -0.0021198400000000, 0.0053557600000000 ] - [ 0.0002016800000000, -0.0015253600000000, -0.0021379600000000 ] - [ -0.0000942300000000, 0.0001291100000000, -0.0000139900000000 ] - [ -0.0002869400000000, -0.0010557100000000, -0.0002445000000000 ]- atom: 67 displacement: [ -0.0004120271249244, 0.0000000000000000, 0.0099915080767783 ] forces: - [ -0.0010571100000000, 0.0001408900000000, 0.0025501600000000 ] - [ -0.0002866100000000, -0.0000443700000000, 0.0008900100000000 ] - [ 0.0012949700000000, 0.0007375600000000, -0.0016263400000000 ] - [ 0.0006211000000000, -0.0005780200000000, -0.0010484800000000 ] - [ -0.0011153900000000, -0.0024310100000000, -0.0002803300000000 ] - [ -0.0023387700000000, 0.0040346100000000, 0.0009395800000000 ] - [ 0.0083062000000000, -0.0009466500000000, -0.0022027900000000 ] - [ 0.0003031000000000, -0.0001305600000000, 0.0010098800000000 ] - [ 0.0005358700000000, 0.0001356800000000, 0.0097703000000000 ] - [ 0.0004511800000000, -0.0008203400000000, 0.0071811400000000 ] - [ -0.0002841900000000, -0.0002026000000000, -0.0023206900000000 ] - [ -0.0002332500000000, -0.0000172800000000, -0.0014619100000000 ] - [ -0.0012476600000000, -0.0007674400000000, -0.0037581200000000 ] - [ -0.0005439700000000, 0.0003284400000000, -0.0011629900000000 ] - [ 0.0001477600000000, -0.0001678900000000, -0.0030960900000000 ] - [ 0.0002074500000000, -0.0001284700000000, -0.0026825400000000 ] - [ 0.0016416800000000, 0.0019446200000000, 0.0036466400000000 ] - [ 0.0005424600000000, 0.0005342800000000, 0.0012521700000000 ] - [ 0.0004815200000000, -0.0005442400000000, -0.0007423800000000 ] - [ 0.0003932900000000, 0.0005882800000000, -0.0005076700000000 ] - [ -0.0013829400000000, 0.0011662500000000, 0.0011575300000000 ] - [ -0.0013647400000000, -0.0010294000000000, 0.0011571200000000 ] - [ 0.0000589900000000, -0.0009317500000000, -0.0070270100000000 ] - [ -0.0002959700000000, 0.0000190500000000, -0.0006532200000000 ] - [ 0.0014779400000000, 0.0001780200000000, 0.0034269500000000 ] - [ 0.0008491800000000, 0.0000665700000000, 0.0016793300000000 ] - [ -0.0000355700000000, -0.0003293800000000, -0.0017668400000000 ] - [ -0.0000804300000000, 0.0003999000000000, -0.0018482600000000 ] - [ 0.0000827000000000, 0.0002115900000000, -0.0019820700000000 ] - [ -0.0000377900000000, 0.0000694900000000, -0.0010713100000000 ] - [ 0.0025066000000000, 0.0006134500000000, 0.0125416000000000 ] - [ -0.0006506900000000, 0.0000698000000000, 0.0017885100000000 ] - [ 0.0007306200000000, -0.0018354300000000, -0.0037277200000000 ] - [ 0.0010471000000000, 0.0030569600000000, -0.0009737500000000 ] - [ -0.0005843700000000, 0.0002455300000000, 0.0022129900000000 ] - [ -0.0001455700000000, 0.0021811200000000, 0.0008277800000000 ] - [ 0.0007858900000000, -0.0005329700000000, -0.0054546600000000 ] - [ 0.0002904700000000, 0.0004180700000000, -0.0022867000000000 ] - [ 0.0003088800000000, 0.0067047800000000, -0.0023207500000000 ] - [ 0.0030289900000000, -0.0047882400000000, -0.0021857600000000 ] - [ -0.0015987100000000, 0.0001025900000000, -0.0003171200000000 ] - [ -0.0000996000000000, 0.0008151500000000, 0.0006346000000000 ] - [ -0.0005673100000000, -0.0001049000000000, -0.0028207000000000 ] - [ -0.0003694200000000, -0.0006140400000000, -0.0028832700000000 ] - [ 0.0678613700000000, -0.0074949500000000, 0.0837344900000000 ] - [ 0.0003641500000000, 0.0000619500000000, 0.0014195500000000 ] - [ 0.0006537300000000, -0.0005429000000000, -0.0001830300000000 ] - [ 0.0002752400000000, 0.0001826900000000, 0.0008298800000000 ] - [ -0.0008315600000000, -0.0017449300000000, 0.0019430700000000 ] - [ -0.0006576300000000, 0.0012653800000000, 0.0012166500000000 ] - [ 0.0024594700000000, -0.0019499800000000, -0.0050246300000000 ] - [ 0.0007511700000000, -0.0004089400000000, -0.0014443300000000 ] - [ 0.0009731800000000, -0.0005263100000000, 0.0016600100000000 ] - [ -0.0000744500000000, -0.0000677600000000, 0.0004286900000000 ] - [ 0.0192442100000000, -0.0076484900000000, 0.0247487800000000 ] - [ 0.0009549300000000, 0.0006184900000000, -0.0013672800000000 ] - [ 0.0077034100000000, 0.0030665000000000, -0.0063570000000000 ] - [ -0.0002297600000000, -0.0003934300000000, -0.0013829500000000 ] - [ 0.0001002500000000, -0.0006756900000000, 0.0057333400000000 ] - [ 0.0002538500000000, 0.0000004200000000, 0.0004168400000000 ] - [ -0.0005563500000000, 0.0008663600000000, -0.0108830800000000 ] - [ 0.0000288900000000, 0.0005897800000000, -0.0014559300000000 ] - [ 0.0006940900000000, 0.0000019600000000, 0.0020331400000000 ] - [ 0.0008569700000000, 0.0008660800000000, 0.0023842600000000 ] - [ 0.0000932600000000, -0.0000086800000000, 0.0014789700000000 ] - [ 0.0000891100000000, -0.0000759500000000, 0.0016868700000000 ] - [ -0.1065209700000000, 0.0056755400000000, -0.1318345500000000 ] - [ 0.0000497000000000, -0.0004429900000000, -0.0010461800000000 ] - [ -0.0002857400000000, -0.0001300600000000, 0.0010463300000000 ] - [ -0.0005497000000000, 0.0003459200000000, 0.0016191500000000 ] - [ -0.0001026600000000, -0.0006645800000000, 0.0026983700000000 ] - [ 0.0001450200000000, -0.0006771400000000, 0.0012696800000000 ] - [ 0.0001116400000000, 0.0003694900000000, 0.0015346500000000 ] - [ -0.0005069300000000, -0.0019018300000000, 0.0015074900000000 ] - [ -0.0004530600000000, -0.0009478700000000, -0.0002799500000000 ] - [ -0.0005944600000000, 0.0004266400000000, -0.0002365900000000 ] - [ -0.0015549000000000, 0.0069283600000000, 0.0054564200000000 ] - [ -0.0013278400000000, -0.0020329800000000, -0.0003469600000000 ] - [ 0.0012287700000000, -0.0004847500000000, -0.0013027100000000 ] - [ -0.0000134900000000, 0.0000048100000000, -0.0011237900000000 ] - [ 0.0009403300000000, 0.0008123300000000, -0.0007389600000000 ] - [ -0.0001365500000000, 0.0003634200000000, -0.0007039100000000 ] - [ 0.0005580600000000, 0.0004124400000000, 0.0032687300000000 ] - [ 0.0005911400000000, 0.0003067600000000, 0.0015927400000000 ] - [ 0.0010859800000000, -0.0003722900000000, -0.0013011500000000 ] - [ -0.0000830200000000, -0.0010365900000000, -0.0011025900000000 ] - [ -0.0027352100000000, -0.0007619900000000, -0.0017251000000000 ] - [ -0.0004929900000000, 0.0001239200000000, -0.0008293500000000 ] - [ -0.0028757800000000, -0.0017412100000000, -0.0033935400000000 ] - [ -0.0000420100000000, 0.0003069800000000, -0.0010884300000000 ] - [ -0.0003991300000000, 0.0002998100000000, 0.0002929700000000 ] - [ -0.0002510100000000, 0.0003446400000000, -0.0003425600000000 ] - [ -0.0008382700000000, 0.0010329200000000, 0.0021159400000000 ] - [ -0.0006590600000000, -0.0002863200000000, 0.0007225800000000 ] - [ 0.0006523000000000, 0.0005402900000000, 0.0012916800000000 ] - [ 0.0006701200000000, 0.0004385400000000, 0.0012862600000000 ] - [ -0.0008479400000000, -0.0014428800000000, 0.0031465500000000 ] - [ -0.0014210900000000, 0.0008955600000000, 0.0030579600000000 ] - [ 0.0009851600000000, 0.0010328800000000, 0.0007297600000000 ] - [ 0.0005429500000000, -0.0003418100000000, 0.0004582200000000 ] - [ 0.0002092500000000, -0.0005777700000000, 0.0017173000000000 ] - [ -0.0000090500000000, -0.0003367200000000, 0.0010721300000000 ] - [ 0.0037086300000000, -0.0049756400000000, 0.0079576700000000 ] - [ 0.0003013200000000, 0.0019904500000000, 0.0001722800000000 ] - [ 0.0005822600000000, -0.0024062500000000, -0.0010935200000000 ] - [ 0.0030588800000000, 0.0087949000000000, 0.0072314700000000 ] - [ -0.0008206200000000, 0.0011871700000000, -0.0007396900000000 ] - [ 0.0001208500000000, -0.0006066100000000, 0.0000492600000000 ] - [ -0.0027009100000000, -0.0054433800000000, 0.0016956200000000 ] - [ -0.0017282400000000, 0.0021628900000000, -0.0010823400000000 ] - [ -0.0001205700000000, -0.0004150900000000, 0.0008953600000000 ] - [ -0.0002525400000000, -0.0005692800000000, 0.0003521900000000 ]- atom: 67 displacement: [ 0.0004120271249244, 0.0000000000000000, -0.0099915080767783 ] forces: - [ 0.0006799500000000, -0.0001139800000000, -0.0031762900000000 ] - [ -0.0000600000000000, 0.0000741900000000, -0.0015172200000000 ] - [ -0.0009565900000000, -0.0006284500000000, 0.0015080800000000 ] - [ -0.0002876000000000, 0.0006670200000000, 0.0009315600000000 ] - [ 0.0014508200000000, 0.0023200800000000, 0.0001299600000000 ] - [ 0.0026791800000000, -0.0041367800000000, -0.0010979500000000 ] - [ -0.0085494600000000, 0.0008410100000000, 0.0021160200000000 ] - [ -0.0006348500000000, 0.0000325000000000, -0.0008990100000000 ] - [ -0.0003965600000000, -0.0000688800000000, -0.0103909100000000 ] - [ -0.0003002700000000, 0.0009500200000000, -0.0078086400000000 ] - [ -0.0000581900000000, 0.0001687800000000, 0.0016799300000000 ] - [ -0.0001127600000000, -0.0000147600000000, 0.0008221800000000 ] - [ 0.0009062500000000, 0.0008579700000000, 0.0038673100000000 ] - [ 0.0002076600000000, -0.0002313900000000, 0.0012838800000000 ] - [ -0.0000151400000000, 0.0000949200000000, 0.0024530800000000 ] - [ -0.0000735200000000, 0.0000442400000000, 0.0020398600000000 ] - [ -0.0021426000000000, -0.0018890000000000, -0.0024127900000000 ] - [ -0.0006745700000000, -0.0006100100000000, -0.0006009700000000 ] - [ -0.0001394900000000, 0.0005794700000000, 0.0013741100000000 ] - [ -0.0000509200000000, -0.0005565400000000, 0.0011384100000000 ] - [ 0.0017193700000000, -0.0011915200000000, -0.0005036500000000 ] - [ 0.0017024300000000, 0.0009903500000000, -0.0004999200000000 ] - [ -0.0001909400000000, 0.0010152700000000, 0.0076820800000000 ] - [ 0.0001610000000000, 0.0000589600000000, 0.0012834300000000 ] - [ -0.0010206800000000, 0.0000111400000000, -0.0038286700000000 ] - [ -0.0003926800000000, 0.0001657900000000, -0.0020850000000000 ] - [ 0.0004958200000000, 0.0001191000000000, 0.0013185600000000 ] - [ 0.0005441300000000, -0.0006132100000000, 0.0014013200000000 ] - [ -0.0005496500000000, -0.0000010300000000, 0.0024278100000000 ] - [ -0.0004241700000000, 0.0001438000000000, 0.0015135600000000 ] - [ -0.0025045700000000, -0.0007710400000000, -0.0119000400000000 ] - [ 0.0001945300000000, -0.0002715000000000, -0.0013338800000000 ] - [ -0.0009121300000000, 0.0015578800000000, 0.0048461400000000 ] - [ -0.0012342500000000, -0.0033618600000000, 0.0020865200000000 ] - [ 0.0001921900000000, 0.0004922300000000, -0.0039629000000000 ] - [ -0.0002618800000000, -0.0014079900000000, -0.0025475700000000 ] - [ -0.0005933500000000, 0.0008095900000000, 0.0043045200000000 ] - [ -0.0001080100000000, -0.0001298200000000, 0.0011627400000000 ] - [ -0.0004847800000000, -0.0063751800000000, 0.0034481300000000 ] - [ -0.0032025800000000, 0.0050504600000000, 0.0033171900000000 ] - [ 0.0020092700000000, 0.0006499900000000, 0.0020103800000000 ] - [ 0.0005007900000000, -0.0000701300000000, 0.0010630800000000 ] - [ 0.0001631100000000, -0.0006373800000000, 0.0011089300000000 ] - [ -0.0000335800000000, -0.0001398800000000, 0.0011663800000000 ] - [ -0.0706820800000000, 0.0075116600000000, -0.0858067600000000 ] - [ -0.0001770100000000, -0.0003461200000000, -0.0025534500000000 ] - [ -0.0002398700000000, -0.0002087200000000, 0.0019039100000000 ] - [ 0.0001254500000000, -0.0009294100000000, 0.0008927500000000 ] - [ 0.0011269900000000, 0.0017406400000000, -0.0019201100000000 ] - [ 0.0009536300000000, -0.0012865000000000, -0.0011894400000000 ] - [ -0.0020496800000000, 0.0017503500000000, 0.0053869200000000 ] - [ -0.0002752700000000, 0.0001547400000000, 0.0018213200000000 ] - [ -0.0014582400000000, 0.0002785300000000, -0.0020416300000000 ] - [ -0.0003999900000000, -0.0001799500000000, -0.0008090600000000 ] - [ -0.0183470500000000, 0.0078663300000000, -0.0262767300000000 ] - [ 0.0002591500000000, -0.0005533800000000, 0.0002638600000000 ] - [ -0.0079052600000000, -0.0030304600000000, 0.0064483200000000 ] - [ -0.0000646700000000, 0.0003631700000000, 0.0013666500000000 ] - [ 0.0011182200000000, 0.0006012700000000, -0.0067932800000000 ] - [ 0.0009628300000000, -0.0000659000000000, -0.0015313800000000 ] - [ 0.0012227300000000, -0.0001208100000000, 0.0112059900000000 ] - [ 0.0004088900000000, 0.0003172800000000, 0.0017490800000000 ] - [ -0.0002297000000000, 0.0005917800000000, -0.0004244400000000 ] - [ -0.0003938700000000, -0.0002590400000000, -0.0007642900000000 ] - [ 0.0003829000000000, 0.0002550100000000, -0.0010895200000000 ] - [ 0.0003876100000000, 0.0003265600000000, -0.0012995000000000 ] - [ 0.1103022200000000, -0.0069129700000000, 0.1330065700000000 ] - [ 0.0008832100000000, -0.0002941500000000, 0.0018046300000000 ] - [ -0.0000093400000000, 0.0001443700000000, -0.0010675100000000 ] - [ 0.0002524400000000, -0.0003224200000000, -0.0016385300000000 ] - [ 0.0005338600000000, -0.0002361100000000, -0.0023927200000000 ] - [ 0.0002922500000000, -0.0002163700000000, -0.0009697700000000 ] - [ -0.0010458200000000, -0.0011111200000000, -0.0022888200000000 ] - [ -0.0004250400000000, 0.0011734000000000, -0.0022659400000000 ] - [ 0.0006971900000000, 0.0002748200000000, -0.0000062600000000 ] - [ 0.0008316000000000, -0.0010850300000000, -0.0000540500000000 ] - [ 0.0003359900000000, -0.0069334800000000, -0.0043648300000000 ] - [ 0.0001097500000000, 0.0021035400000000, 0.0014794300000000 ] - [ -0.0016903400000000, -0.0001165500000000, -0.0002867600000000 ] - [ -0.0004460900000000, -0.0005985500000000, -0.0004754200000000 ] - [ -0.0015626500000000, 0.0002087300000000, 0.0003749500000000 ] - [ -0.0004860600000000, 0.0006556800000000, 0.0003460100000000 ] - [ 0.0003744400000000, 0.0003289500000000, -0.0025040500000000 ] - [ 0.0003399600000000, 0.0004296500000000, -0.0008298400000000 ] - [ -0.0004622200000000, -0.0006390200000000, 0.0016480700000000 ] - [ 0.0007200400000000, 0.0000032000000000, 0.0014467900000000 ] - [ 0.0022360300000000, 0.0009973400000000, 0.0013115000000000 ] - [ 0.0000178500000000, 0.0001209500000000, 0.0004351800000000 ] - [ 0.0025909100000000, 0.0023865600000000, 0.0037011600000000 ] - [ -0.0002067800000000, 0.0003684600000000, 0.0013743500000000 ] - [ -0.0000639100000000, 0.0003015400000000, -0.0019106200000000 ] - [ -0.0002097300000000, 0.0002580300000000, -0.0012776400000000 ] - [ 0.0003997000000000, -0.0001471000000000, -0.0024116700000000 ] - [ 0.0002236400000000, 0.0011872300000000, -0.0010150700000000 ] - [ -0.0000288900000000, 0.0004774000000000, -0.0009349600000000 ] - [ -0.0000458500000000, 0.0005834400000000, -0.0009322800000000 ] - [ -0.0003719700000000, 0.0013678400000000, -0.0020290400000000 ] - [ 0.0002025800000000, -0.0009511500000000, -0.0019470700000000 ] - [ -0.0007398600000000, -0.0003691100000000, -0.0009978200000000 ] - [ -0.0002958900000000, 0.0010112800000000, -0.0007331400000000 ] - [ -0.0004537200000000, -0.0000946200000000, -0.0014315800000000 ] - [ -0.0002381000000000, -0.0003309400000000, -0.0007903900000000 ] - [ -0.0033576700000000, 0.0049397900000000, -0.0078411300000000 ] - [ -0.0000072900000000, -0.0019613600000000, -0.0001520400000000 ] - [ -0.0010153200000000, 0.0014977300000000, 0.0007774000000000 ] - [ -0.0034478700000000, -0.0096082800000000, -0.0074808900000000 ] - [ 0.0012889900000000, -0.0017969600000000, 0.0023733100000000 ] - [ 0.0003408900000000, -0.0000009000000000, 0.0015802800000000 ] - [ 0.0017459800000000, 0.0061259300000000, -0.0024553500000000 ] - [ 0.0007919300000000, -0.0014163000000000, 0.0003056300000000 ] - [ -0.0004986300000000, -0.0006044900000000, -0.0012402100000000 ] - [ -0.0003688300000000, -0.0004503200000000, -0.0006987500000000 ]- atom: 75 displacement: [ 0.0099999999631191, 0.0000000000000000, -0.0000008588465536 ] forces: - [ 0.0007648800000000, 0.0003809600000000, -0.0001175700000000 ] - [ 0.0034182700000000, -0.0008218700000000, -0.0032506200000000 ] - [ 0.0101736300000000, 0.0057285700000000, 0.0063020600000000 ] - [ 0.0022876600000000, -0.0000182800000000, -0.0001948500000000 ] - [ 0.0009696500000000, -0.0003487300000000, 0.0006257300000000 ] - [ 0.0004123400000000, -0.0000303800000000, 0.0001264300000000 ] - [ -0.0007982800000000, 0.0001899400000000, -0.0002163600000000 ] - [ -0.0010162300000000, -0.0001889200000000, -0.0004627800000000 ] - [ -0.0027218300000000, -0.0000913100000000, 0.0015092000000000 ] - [ -0.0009185900000000, -0.0000420300000000, -0.0002785300000000 ] - [ 0.0006048900000000, -0.0000858000000000, -0.0002854800000000 ] - [ 0.0008374400000000, 0.0001840600000000, 0.0020526100000000 ] - [ -0.0011665200000000, -0.0000976100000000, -0.0001285800000000 ] - [ -0.0040144400000000, -0.0004073200000000, 0.0009370200000000 ] - [ -0.0012409200000000, -0.0001075600000000, -0.0012527200000000 ] - [ -0.0004481300000000, 0.0000860300000000, -0.0006301400000000 ] - [ -0.0003041600000000, -0.0024117900000000, 0.0007618000000000 ] - [ -0.0091655400000000, 0.0087467600000000, 0.0038871600000000 ] - [ 0.0002319000000000, 0.0000720500000000, 0.0002494100000000 ] - [ 0.0001515600000000, -0.0000741400000000, 0.0003266400000000 ] - [ -0.0042175300000000, 0.0079144300000000, -0.0014700600000000 ] - [ 0.0003077000000000, -0.0033405800000000, 0.0005861900000000 ] - [ -0.0001451300000000, -0.0001147500000000, -0.0000387700000000 ] - [ -0.0000796800000000, 0.0002302400000000, 0.0001578400000000 ] - [ 0.0099779800000000, -0.0009470300000000, 0.0012167600000000 ] - [ 0.0005527000000000, 0.0005023900000000, -0.0000316500000000 ] - [ 0.0011440500000000, -0.0001019800000000, -0.0009242100000000 ] - [ 0.0006563800000000, -0.0001271900000000, -0.0002683800000000 ] - [ -0.0006310000000000, 0.0001790600000000, 0.0003265500000000 ] - [ -0.0008263700000000, -0.0000420900000000, 0.0003586900000000 ] - [ -0.0011757300000000, 0.0002251500000000, 0.0004266800000000 ] - [ -0.0066315900000000, -0.0000829400000000, -0.0022227100000000 ] - [ -0.0008506800000000, -0.0001059000000000, 0.0005604900000000 ] - [ -0.0004209200000000, -0.0001871900000000, 0.0005045800000000 ] - [ -0.0018349400000000, 0.0010955900000000, -0.0027219100000000 ] - [ 0.0007216000000000, -0.0006138900000000, -0.0017289700000000 ] - [ -0.0001352200000000, -0.0014471800000000, -0.0017140900000000 ] - [ 0.0002220700000000, 0.0013631900000000, -0.0040980700000000 ] - [ -0.0094232100000000, 0.0014141600000000, -0.0023706100000000 ] - [ -0.0018762700000000, -0.0003260400000000, 0.0008442400000000 ] - [ 0.0006612300000000, 0.0004308200000000, 0.0007562400000000 ] - [ 0.0007249400000000, 0.0003320100000000, 0.0007006000000000 ] - [ -0.0001735100000000, 0.0021684100000000, 0.0039962800000000 ] - [ -0.0006793900000000, -0.0009288500000000, -0.0001489600000000 ] - [ -0.0001387500000000, -0.0007532100000000, -0.0000679800000000 ] - [ -0.0011307300000000, 0.0023851000000000, 0.0008081100000000 ] - [ 0.0023921100000000, -0.0009128400000000, 0.0003441300000000 ] - [ 0.0693600200000000, 0.0630628500000000, -0.0020503500000000 ] - [ 0.0003771400000000, -0.0000201000000000, 0.0000762400000000 ] - [ 0.0006299000000000, -0.0000422900000000, 0.0000505700000000 ] - [ 0.0018555900000000, -0.0008741800000000, 0.0014871900000000 ] - [ 0.0013700700000000, 0.0016803100000000, 0.0019193600000000 ] - [ -0.0005546700000000, -0.0000291100000000, -0.0001024200000000 ] - [ -0.0008350700000000, -0.0002771800000000, -0.0000534100000000 ] - [ 0.0007130300000000, 0.0001869300000000, -0.0007753500000000 ] - [ 0.0010980300000000, -0.0003716800000000, -0.0016614300000000 ] - [ -0.0005210400000000, 0.0006604400000000, -0.0009763200000000 ] - [ -0.0004321400000000, -0.0007371200000000, -0.0003111500000000 ] - [ 0.0016173800000000, 0.0018112900000000, 0.0000444600000000 ] - [ 0.0024331100000000, -0.0032586100000000, 0.0028819600000000 ] - [ 0.0000799500000000, 0.0006692900000000, -0.0000836400000000 ] - [ 0.0012781800000000, -0.0016143800000000, -0.0048813000000000 ] - [ 0.0054585600000000, -0.0013632300000000, -0.0055218700000000 ] - [ 0.0006557700000000, 0.0008935300000000, 0.0003444200000000 ] - [ 0.0012183000000000, 0.0001991600000000, -0.0013245500000000 ] - [ 0.0006254000000000, 0.0002793500000000, 0.0000025600000000 ] - [ 0.0011349100000000, 0.0001178300000000, -0.0001721500000000 ] - [ 0.0021407800000000, -0.0009251100000000, -0.0002725700000000 ] - [ -0.0005801800000000, -0.0011333400000000, 0.0023756800000000 ] - [ -0.0005285000000000, 0.0005801200000000, 0.0001210500000000 ] - [ 0.0002507200000000, 0.0006061700000000, 0.0019344900000000 ] - [ -0.0007111000000000, -0.0011224600000000, 0.0007035000000000 ] - [ -0.0002113400000000, -0.0003547300000000, -0.0000363400000000 ] - [ -0.0003525800000000, -0.0003242800000000, -0.0002599000000000 ] - [ -0.1018228500000000, -0.1072379700000000, -0.0055134100000000 ] - [ -0.0006757100000000, 0.0000575200000000, 0.0001971800000000 ] - [ -0.0001098000000000, 0.0001635500000000, 0.0002485100000000 ] - [ -0.0002835400000000, 0.0000271000000000, 0.0005879500000000 ] - [ -0.0005241000000000, -0.0003092200000000, -0.0007660300000000 ] - [ -0.0008464300000000, -0.0003394600000000, -0.0003218300000000 ] - [ -0.0012093700000000, 0.0001688000000000, -0.0003849600000000 ] - [ 0.0201691900000000, 0.0229702500000000, 0.0102333200000000 ] - [ 0.0010861100000000, 0.0006366000000000, 0.0008243400000000 ] - [ 0.0014039200000000, 0.0002932700000000, 0.0012830400000000 ] - [ -0.0001689100000000, -0.0023251900000000, 0.0050889000000000 ] - [ -0.0005357000000000, -0.0003371500000000, 0.0001346500000000 ] - [ -0.0031729200000000, 0.0027585000000000, -0.0008851500000000 ] - [ -0.0091091900000000, -0.0071977100000000, -0.0029473700000000 ] - [ -0.0000842800000000, 0.0006795500000000, 0.0003192200000000 ] - [ 0.0009796400000000, 0.0000359300000000, 0.0017848800000000 ] - [ -0.0024920500000000, 0.0002580800000000, -0.0012232400000000 ] - [ -0.0050104100000000, 0.0073458100000000, -0.0047524100000000 ] - [ 0.0002081500000000, 0.0004313900000000, -0.0000926000000000 ] - [ 0.0000501900000000, 0.0004334600000000, -0.0000670700000000 ] - [ -0.0008084300000000, 0.0000056000000000, -0.0007905000000000 ] - [ 0.0001809000000000, 0.0008764000000000, -0.0003316400000000 ] - [ 0.0025564600000000, -0.0003497300000000, 0.0018882300000000 ] - [ 0.0000408300000000, -0.0000623700000000, 0.0003830600000000 ] - [ -0.0003053200000000, 0.0003790000000000, -0.0001644500000000 ] - [ -0.0001857000000000, 0.0004029800000000, -0.0001431300000000 ] - [ 0.0004138400000000, -0.0014339100000000, -0.0005335700000000 ] - [ 0.0004168600000000, -0.0000173700000000, -0.0002989200000000 ] - [ 0.0045457700000000, 0.0003797000000000, 0.0004473500000000 ] - [ 0.0032495200000000, 0.0008919200000000, -0.0004977700000000 ] - [ 0.0050521600000000, -0.0020081000000000, -0.0004231600000000 ] - [ 0.0005799400000000, -0.0000913600000000, -0.0002581900000000 ] - [ 0.0006559200000000, -0.0007960900000000, 0.0019829700000000 ] - [ 0.0001101600000000, -0.0001575900000000, 0.0012734000000000 ] - [ 0.0138446700000000, 0.0077002800000000, -0.0025515800000000 ] - [ 0.0001115500000000, -0.0003320800000000, -0.0002731100000000 ] - [ -0.0004871300000000, -0.0006086000000000, -0.0002618000000000 ] - [ -0.0004418300000000, -0.0004628100000000, -0.0003952500000000 ]- atom: 75 displacement: [ -0.0099999999631191, 0.0000000000000000, 0.0000008588465536 ] forces: - [ -0.0010941100000000, -0.0003428300000000, -0.0005107700000000 ] - [ -0.0037672000000000, 0.0008533500000000, 0.0026008500000000 ] - [ -0.0097860400000000, -0.0054225400000000, -0.0061905500000000 ] - [ -0.0019146300000000, 0.0000937600000000, 0.0001067400000000 ] - [ -0.0006201000000000, 0.0002580900000000, -0.0007317900000000 ] - [ -0.0000658300000000, -0.0000626900000000, -0.0002335200000000 ] - [ 0.0004522700000000, -0.0002832200000000, 0.0003237800000000 ] - [ 0.0006695400000000, 0.0000989900000000, 0.0005717600000000 ] - [ 0.0028636400000000, 0.0001999000000000, -0.0021545200000000 ] - [ 0.0010636000000000, 0.0001525800000000, -0.0003829900000000 ] - [ -0.0009307200000000, 0.0000466000000000, -0.0003356600000000 ] - [ -0.0011702600000000, -0.0002109200000000, -0.0026510800000000 ] - [ 0.0008179900000000, 0.0001791800000000, 0.0002287100000000 ] - [ 0.0036666600000000, 0.0005108800000000, -0.0008438000000000 ] - [ 0.0013842700000000, -0.0000019600000000, 0.0005829300000000 ] - [ 0.0005883500000000, -0.0001951100000000, -0.0000336700000000 ] - [ 0.0001799200000000, 0.0022893000000000, -0.0000963400000000 ] - [ 0.0091058600000000, -0.0088287400000000, -0.0032170300000000 ] - [ 0.0000914300000000, -0.0000365400000000, 0.0003721900000000 ] - [ 0.0001724100000000, 0.0001095900000000, 0.0002987000000000 ] - [ 0.0041687300000000, -0.0078301700000000, 0.0020455400000000 ] - [ -0.0000048900000000, 0.0033071000000000, 0.0000280700000000 ] - [ 0.0000057300000000, 0.0002223600000000, 0.0006996700000000 ] - [ -0.0000584600000000, -0.0001205800000000, 0.0005050400000000 ] - [ -0.0094802700000000, 0.0012634600000000, -0.0018159900000000 ] - [ -0.0001004500000000, -0.0003365800000000, -0.0004169600000000 ] - [ -0.0007095500000000, -0.0001023900000000, 0.0005004900000000 ] - [ -0.0002194900000000, -0.0000806300000000, -0.0001548800000000 ] - [ 0.0001957900000000, 0.0000251700000000, 0.0000980000000000 ] - [ 0.0003910200000000, 0.0002536300000000, 0.0000659500000000 ] - [ 0.0007372800000000, -0.0004338600000000, 0.0000050400000000 ] - [ 0.0062049300000000, -0.0001102300000000, 0.0026548100000000 ] - [ 0.0006472700000000, -0.0001799900000000, 0.0005725600000000 ] - [ 0.0002184500000000, -0.0001012800000000, 0.0006269000000000 ] - [ 0.0013712900000000, -0.0003528100000000, 0.0010488600000000 ] - [ -0.0011646900000000, 0.0013600800000000, 0.0000508500000000 ] - [ 0.0003404000000000, 0.0017248900000000, 0.0005799400000000 ] - [ -0.0000018400000000, -0.0010759600000000, 0.0029549800000000 ] - [ 0.0092092600000000, -0.0011293300000000, 0.0034798800000000 ] - [ 0.0016801400000000, 0.0006210300000000, 0.0002874200000000 ] - [ -0.0002322300000000, 0.0003097300000000, 0.0009225700000000 ] - [ -0.0002961600000000, 0.0004087400000000, 0.0009766500000000 ] - [ -0.0002662600000000, -0.0029168300000000, -0.0056907700000000 ] - [ 0.0002382200000000, 0.0001807700000000, -0.0015248700000000 ] - [ 0.0003508600000000, 0.0004636500000000, -0.0010594600000000 ] - [ 0.0013483000000000, -0.0026655300000000, -0.0019340200000000 ] - [ -0.0019877200000000, 0.0001724800000000, 0.0013385200000000 ] - [ -0.0689728000000000, -0.0656452100000000, 0.0038502500000000 ] - [ -0.0000683000000000, 0.0000155300000000, -0.0000598100000000 ] - [ -0.0003208200000000, 0.0000353600000000, -0.0000334500000000 ] - [ -0.0013518500000000, 0.0006241000000000, -0.0011176400000000 ] - [ -0.0008738800000000, -0.0019429900000000, -0.0015378300000000 ] - [ 0.0000572000000000, -0.0002218100000000, -0.0002892900000000 ] - [ 0.0003368300000000, 0.0000233000000000, -0.0003398300000000 ] - [ 0.0005009400000000, -0.0001194500000000, -0.0003386700000000 ] - [ 0.0001155400000000, 0.0004370400000000, 0.0005450900000000 ] - [ 0.0002049700000000, -0.0006675000000000, 0.0009603000000000 ] - [ 0.0001121700000000, 0.0007288800000000, 0.0003048500000000 ] - [ -0.0004078300000000, -0.0018762200000000, -0.0011533300000000 ] - [ -0.0012182200000000, 0.0031640400000000, -0.0039711000000000 ] - [ 0.0003425600000000, 0.0002186900000000, 0.0003880000000000 ] - [ -0.0008662500000000, 0.0024953000000000, 0.0051651500000000 ] - [ -0.0049851500000000, 0.0019393800000000, 0.0071470600000000 ] - [ -0.0001461200000000, -0.0003170400000000, 0.0012296500000000 ] - [ -0.0007217400000000, 0.0000507300000000, 0.0017255500000000 ] - [ -0.0001259500000000, -0.0000247600000000, 0.0003883300000000 ] - [ -0.0002184700000000, -0.0008443000000000, 0.0009235500000000 ] - [ -0.0012234600000000, 0.0001901800000000, 0.0010164300000000 ] - [ 0.0002569300000000, 0.0011358100000000, -0.0023942600000000 ] - [ 0.0002156800000000, -0.0005684700000000, -0.0001404300000000 ] - [ 0.0001774200000000, -0.0014866200000000, -0.0016240700000000 ] - [ 0.0011313800000000, 0.0002366800000000, -0.0004019400000000 ] - [ -0.0007106500000000, -0.0003787500000000, -0.0007209200000000 ] - [ -0.0005685700000000, -0.0004075300000000, -0.0004983100000000 ] - [ 0.1024484600000000, 0.1080583400000000, 0.0052568400000000 ] - [ 0.0009151300000000, -0.0007001700000000, -0.0004866400000000 ] - [ -0.0011064300000000, -0.0000971200000000, 0.0008592400000000 ] - [ -0.0009335900000000, 0.0000388100000000, 0.0005247800000000 ] - [ 0.0000232200000000, -0.0002597300000000, -0.0008054100000000 ] - [ 0.0003456200000000, -0.0002305100000000, -0.0012488600000000 ] - [ 0.0005948600000000, 0.0008570300000000, 0.0000210700000000 ] - [ -0.0210723100000000, -0.0223181800000000, -0.0107840300000000 ] - [ -0.0001669400000000, 0.0000978900000000, -0.0000661100000000 ] - [ -0.0004867400000000, 0.0004377000000000, -0.0005216000000000 ] - [ 0.0008449200000000, 0.0012977400000000, -0.0047022100000000 ] - [ 0.0011760000000000, -0.0006742900000000, 0.0002399400000000 ] - [ 0.0026617500000000, -0.0025338600000000, 0.0004957400000000 ] - [ 0.0085879000000000, 0.0076444700000000, 0.0026190200000000 ] - [ -0.0001455400000000, -0.0000216900000000, -0.0000342400000000 ] - [ -0.0012058500000000, 0.0006242200000000, -0.0015056300000000 ] - [ 0.0019938600000000, 0.0003064700000000, -0.0003596500000000 ] - [ 0.0045856200000000, -0.0067422500000000, 0.0031551400000000 ] - [ -0.0006359900000000, 0.0004538200000000, -0.0002083600000000 ] - [ -0.0004774600000000, 0.0004512900000000, -0.0002356800000000 ] - [ 0.0014417400000000, 0.0010115000000000, 0.0011586200000000 ] - [ 0.0004500600000000, 0.0001453700000000, 0.0006908600000000 ] - [ -0.0037706600000000, 0.0002842700000000, -0.0007588300000000 ] - [ -0.0012587500000000, -0.0000053900000000, 0.0007307200000000 ] - [ 0.0005399300000000, 0.0002782000000000, -0.0001213700000000 ] - [ 0.0004202900000000, 0.0002540300000000, -0.0001442000000000 ] - [ -0.0006461300000000, 0.0007816200000000, 0.0008256000000000 ] - [ -0.0006430100000000, -0.0006424900000000, 0.0005843600000000 ] - [ -0.0042391600000000, -0.0003549800000000, -0.0004213800000000 ] - [ -0.0029420000000000, -0.0008964100000000, 0.0005195600000000 ] - [ -0.0054816200000000, 0.0011165300000000, 0.0001205800000000 ] - [ -0.0010101000000000, -0.0007910700000000, -0.0000435200000000 ] - [ -0.0001470100000000, 0.0002246900000000, -0.0004083400000000 ] - [ 0.0003939500000000, -0.0004126700000000, 0.0002984300000000 ] - [ -0.0146422400000000, -0.0068575300000000, 0.0017442300000000 ] - [ -0.0010518700000000, 0.0010586900000000, -0.0004866100000000 ] - [ -0.0001400800000000, -0.0004078600000000, -0.0001029300000000 ] - [ -0.0001840900000000, -0.0005554400000000, 0.0000287300000000 ]- atom: 75 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008060700000000, -0.0024620900000000, 0.0023026100000000 ] - [ -0.0012342200000000, 0.0029724900000000, -0.0071933300000000 ] - [ 0.0061011900000000, 0.0147687700000000, 0.0086821200000000 ] - [ 0.0034184700000000, -0.0056869900000000, 0.0026891100000000 ] - [ 0.0000064200000000, 0.0011386300000000, 0.0003450400000000 ] - [ 0.0002662200000000, -0.0012144200000000, -0.0004584400000000 ] - [ -0.0001942800000000, -0.0006279300000000, 0.0003191200000000 ] - [ -0.0002424600000000, 0.0003639400000000, -0.0004080500000000 ] - [ -0.0003947200000000, 0.0013259600000000, 0.0011414700000000 ] - [ 0.0000370000000000, -0.0011747700000000, -0.0008904300000000 ] - [ 0.0006191800000000, -0.0016414400000000, -0.0022000900000000 ] - [ -0.0006492300000000, 0.0026849500000000, 0.0045775900000000 ] - [ -0.0005618800000000, -0.0018730200000000, -0.0003692200000000 ] - [ -0.0010458600000000, 0.0026272500000000, 0.0009546900000000 ] - [ -0.0004692700000000, 0.0007603200000000, -0.0013418200000000 ] - [ -0.0000263700000000, -0.0009250600000000, 0.0001313600000000 ] - [ -0.0025330900000000, -0.0038416200000000, 0.0010136800000000 ] - [ 0.0094663300000000, 0.0036574600000000, -0.0015148200000000 ] - [ 0.0001426000000000, 0.0005400500000000, 0.0002497400000000 ] - [ 0.0001149800000000, -0.0004867600000000, 0.0004851100000000 ] - [ 0.0065149900000000, 0.0061616500000000, 0.0012752600000000 ] - [ -0.0019753500000000, -0.0052718600000000, 0.0000283000000000 ] - [ -0.0002225900000000, -0.0004413800000000, -0.0002703700000000 ] - [ 0.0000678700000000, 0.0004489700000000, 0.0004096200000000 ] - [ -0.0009319700000000, 0.0094808400000000, 0.0023057200000000 ] - [ 0.0022198600000000, -0.0070034700000000, -0.0031228600000000 ] - [ 0.0003729300000000, 0.0010164300000000, -0.0011463100000000 ] - [ 0.0006055900000000, -0.0010757100000000, 0.0001483800000000 ] - [ -0.0003738100000000, -0.0004419200000000, -0.0000025000000000 ] - [ -0.0003705000000000, 0.0007680700000000, 0.0004927900000000 ] - [ 0.0001417200000000, -0.0014284900000000, 0.0008696100000000 ] - [ -0.0038987200000000, 0.0010076500000000, -0.0017524800000000 ] - [ -0.0001741900000000, 0.0005409900000000, 0.0006476200000000 ] - [ -0.0001467600000000, -0.0007978500000000, 0.0002998500000000 ] - [ 0.0025418400000000, 0.0024761300000000, 0.0005452800000000 ] - [ -0.0010473000000000, -0.0011797300000000, -0.0021864300000000 ] - [ -0.0005819100000000, -0.0033356600000000, -0.0027608800000000 ] - [ 0.0004039400000000, 0.0036701900000000, 0.0028340500000000 ] - [ -0.0040656400000000, 0.0028334200000000, -0.0011758500000000 ] - [ 0.0009572400000000, -0.0021847200000000, 0.0012925900000000 ] - [ 0.0002304200000000, 0.0001262000000000, 0.0008316700000000 ] - [ 0.0003552400000000, 0.0004562000000000, 0.0007851900000000 ] - [ 0.0007378300000000, 0.0000412300000000, -0.0022173400000000 ] - [ -0.0018518600000000, -0.0022758500000000, 0.0004990400000000 ] - [ -0.0003482400000000, -0.0015467800000000, 0.0002749500000000 ] - [ 0.0008396900000000, 0.0014465500000000, -0.0017988100000000 ] - [ 0.0039503400000000, -0.0104227200000000, -0.0006476500000000 ] - [ 0.0621308600000000, 0.1811403600000000, -0.0049197900000000 ] - [ 0.0001884700000000, 0.0005230800000000, 0.0000661500000000 ] - [ 0.0002024500000000, -0.0005758700000000, 0.0000492300000000 ] - [ -0.0005187100000000, -0.0002956000000000, -0.0010767300000000 ] - [ 0.0009965300000000, 0.0011754800000000, 0.0015544300000000 ] - [ -0.0003128100000000, 0.0004921500000000, -0.0000192800000000 ] - [ -0.0005728200000000, -0.0007592500000000, -0.0003256100000000 ] - [ 0.0006773500000000, 0.0005870400000000, -0.0009222900000000 ] - [ 0.0005089300000000, -0.0005498600000000, -0.0000070200000000 ] - [ 0.0006665900000000, 0.0004220700000000, -0.0017517100000000 ] - [ -0.0014481400000000, 0.0001069400000000, 0.0022088000000000 ] - [ 0.0026980500000000, 0.0032695900000000, 0.0004579300000000 ] - [ -0.0019703300000000, -0.0004330400000000, -0.0035504600000000 ] - [ 0.0004151900000000, 0.0024264700000000, -0.0002999100000000 ] - [ -0.0001575400000000, -0.0026633000000000, 0.0005911200000000 ] - [ -0.0014870000000000, -0.0025617000000000, 0.0024467200000000 ] - [ 0.0009781200000000, 0.0026089700000000, 0.0004277700000000 ] - [ 0.0000103000000000, -0.0006502600000000, 0.0007572100000000 ] - [ 0.0007011000000000, 0.0009482900000000, -0.0001432300000000 ] - [ 0.0007717500000000, 0.0004256100000000, -0.0002187800000000 ] - [ 0.0001911000000000, -0.0009797700000000, 0.0011269100000000 ] - [ 0.0000333000000000, -0.0041153000000000, 0.0009024600000000 ] - [ -0.0004767200000000, 0.0023520300000000, -0.0000934100000000 ] - [ 0.0008057500000000, 0.0010383700000000, 0.0031419200000000 ] - [ -0.0005026900000000, -0.0007153700000000, -0.0012655200000000 ] - [ -0.0004199600000000, -0.0009194300000000, -0.0001349100000000 ] - [ -0.0004449800000000, 0.0001439600000000, -0.0003755500000000 ] - [ -0.1048464900000000, -0.2741073400000000, -0.0023178300000000 ] - [ 0.0005037600000000, 0.0073331400000000, 0.0000035800000000 ] - [ -0.0006052200000000, -0.0002641900000000, 0.0001239800000000 ] - [ -0.0006193100000000, 0.0003878400000000, 0.0009953200000000 ] - [ -0.0001989400000000, 0.0003279500000000, -0.0011054600000000 ] - [ -0.0003634100000000, -0.0011309800000000, -0.0000735200000000 ] - [ -0.0023419000000000, 0.0034983900000000, -0.0008314100000000 ] - [ 0.0173827700000000, 0.0046760100000000, 0.0058653300000000 ] - [ 0.0011610200000000, 0.0013026700000000, 0.0010861200000000 ] - [ 0.0003117200000000, -0.0007154600000000, -0.0003283600000000 ] - [ -0.0033787200000000, -0.0028144900000000, -0.0059733200000000 ] - [ 0.0014769500000000, 0.0021815800000000, 0.0019223600000000 ] - [ 0.0003214500000000, 0.0156844800000000, -0.0037394500000000 ] - [ -0.0026124800000000, 0.0333538000000000, 0.0130228400000000 ] - [ 0.0002224900000000, 0.0018928500000000, 0.0000791800000000 ] - [ -0.0004171600000000, -0.0019086700000000, 0.0010420200000000 ] - [ -0.0022943400000000, 0.0060201100000000, 0.0013191000000000 ] - [ 0.0056884000000000, 0.0135660400000000, -0.0130321700000000 ] - [ -0.0002240700000000, 0.0003456300000000, -0.0000371300000000 ] - [ -0.0000893500000000, 0.0005802000000000, -0.0002067900000000 ] - [ -0.0001328300000000, -0.0001993200000000, 0.0010431200000000 ] - [ 0.0005723500000000, 0.0018013600000000, -0.0010567600000000 ] - [ 0.0010294500000000, -0.0017394000000000, 0.0014957100000000 ] - [ -0.0008810000000000, 0.0014997500000000, -0.0001190700000000 ] - [ 0.0000751900000000, 0.0002556500000000, 0.0000192900000000 ] - [ 0.0000507900000000, 0.0004523700000000, -0.0002124500000000 ] - [ -0.0004382300000000, -0.0002186900000000, 0.0005364900000000 ] - [ 0.0009788700000000, -0.0002125500000000, -0.0006816600000000 ] - [ 0.0007875400000000, 0.0008276700000000, 0.0006147300000000 ] - [ 0.0010652800000000, 0.0008682000000000, -0.0005133600000000 ] - [ 0.0010512600000000, -0.0039773500000000, -0.0006700700000000 ] - [ -0.0005588900000000, 0.0015684400000000, -0.0000032600000000 ] - [ -0.0003611400000000, -0.0003626900000000, -0.0002301600000000 ] - [ 0.0003733800000000, -0.0000733600000000, 0.0014382200000000 ] - [ 0.0093159400000000, 0.0011734000000000, -0.0020477400000000 ] - [ -0.0026818600000000, 0.0026946800000000, -0.0004998400000000 ] - [ -0.0004320000000000, -0.0002474500000000, -0.0000331100000000 ] - [ -0.0001331900000000, -0.0007360400000000, -0.0004947800000000 ]- atom: 75 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0011484000000000, 0.0025040200000000, -0.0029307300000000 ] - [ 0.0008898800000000, -0.0029864900000000, 0.0065629700000000 ] - [ -0.0054207000000000, -0.0142958300000000, -0.0082415000000000 ] - [ -0.0031045300000000, 0.0057907500000000, -0.0028280700000000 ] - [ 0.0003244800000000, -0.0012300600000000, -0.0004777200000000 ] - [ 0.0000614900000000, 0.0011119300000000, 0.0003388900000000 ] - [ -0.0001379300000000, 0.0005330300000000, -0.0001996200000000 ] - [ -0.0000877200000000, -0.0004696300000000, 0.0005236200000000 ] - [ 0.0005333600000000, -0.0012434900000000, -0.0017858600000000 ] - [ 0.0000936400000000, 0.0012483800000000, 0.0002537000000000 ] - [ -0.0009587300000000, 0.0016096400000000, 0.0015491300000000 ] - [ 0.0003012200000000, -0.0027319200000000, -0.0052246200000000 ] - [ 0.0002323200000000, 0.0019777400000000, 0.0004902500000000 ] - [ 0.0007107100000000, -0.0025387900000000, -0.0008312900000000 ] - [ 0.0005957200000000, -0.0008319800000000, 0.0007027200000000 ] - [ 0.0001597000000000, 0.0008419200000000, -0.0007727700000000 ] - [ 0.0023825400000000, 0.0037732600000000, -0.0003713100000000 ] - [ -0.0095814800000000, -0.0038340300000000, 0.0021495100000000 ] - [ 0.0002055700000000, -0.0005095000000000, 0.0003852400000000 ] - [ 0.0002329000000000, 0.0005183900000000, 0.0001518100000000 ] - [ -0.0062816300000000, -0.0061130700000000, -0.0006530600000000 ] - [ 0.0023413200000000, 0.0052355900000000, 0.0006171100000000 ] - [ 0.0000880900000000, 0.0005197100000000, 0.0009042500000000 ] - [ -0.0002037900000000, -0.0003732200000000, 0.0002256500000000 ] - [ 0.0015569600000000, -0.0090400700000000, -0.0031224100000000 ] - [ -0.0017735300000000, 0.0072203800000000, 0.0026913500000000 ] - [ 0.0000851900000000, -0.0012213000000000, 0.0006976400000000 ] - [ -0.0001490800000000, 0.0008646100000000, -0.0005990100000000 ] - [ -0.0000859000000000, 0.0006552000000000, 0.0004440400000000 ] - [ -0.0000827400000000, -0.0005593100000000, -0.0000515900000000 ] - [ -0.0005972800000000, 0.0012335000000000, -0.0004204600000000 ] - [ 0.0034358000000000, -0.0012132200000000, 0.0021932000000000 ] - [ -0.0000103600000000, -0.0008251200000000, 0.0004740000000000 ] - [ -0.0000371600000000, 0.0005096600000000, 0.0008238600000000 ] - [ -0.0029764900000000, -0.0017287700000000, -0.0022723800000000 ] - [ 0.0006589600000000, 0.0019248200000000, 0.0004768900000000 ] - [ 0.0007544700000000, 0.0036105800000000, 0.0016287800000000 ] - [ -0.0002233800000000, -0.0033995800000000, -0.0039463200000000 ] - [ 0.0039024900000000, -0.0025452700000000, 0.0023155400000000 ] - [ -0.0011494300000000, 0.0024593200000000, -0.0001659900000000 ] - [ 0.0001729300000000, 0.0006298200000000, 0.0008818100000000 ] - [ 0.0000457800000000, 0.0002879200000000, 0.0009190700000000 ] - [ -0.0011334100000000, -0.0007738300000000, 0.0005266400000000 ] - [ 0.0014611600000000, 0.0015286600000000, -0.0022209700000000 ] - [ 0.0005294300000000, 0.0012736700000000, -0.0013971500000000 ] - [ -0.0006515000000000, -0.0017731800000000, 0.0006647200000000 ] - [ -0.0035291800000000, 0.0096524400000000, 0.0023612300000000 ] - [ -0.0675417100000000, -0.1931016800000000, 0.0073622400000000 ] - [ 0.0001049200000000, -0.0005418900000000, -0.0000410100000000 ] - [ 0.0000913900000000, 0.0005575400000000, -0.0000242300000000 ] - [ 0.0010014300000000, 0.0000415000000000, 0.0014612400000000 ] - [ -0.0005229300000000, -0.0014146200000000, -0.0011663500000000 ] - [ -0.0001630000000000, -0.0007416000000000, -0.0003615400000000 ] - [ 0.0001010600000000, 0.0005132200000000, -0.0000593600000000 ] - [ 0.0005424300000000, -0.0005246300000000, -0.0001907600000000 ] - [ 0.0007057000000000, 0.0006224300000000, -0.0010936500000000 ] - [ -0.0009645600000000, -0.0004571000000000, 0.0017291100000000 ] - [ 0.0011648400000000, -0.0001118000000000, -0.0022444200000000 ] - [ -0.0014730000000000, -0.0033299200000000, -0.0015701400000000 ] - [ 0.0031932500000000, 0.0003879600000000, 0.0024317800000000 ] - [ 0.0000290900000000, -0.0015300700000000, 0.0005908600000000 ] - [ 0.0005622600000000, 0.0035932500000000, -0.0002370200000000 ] - [ 0.0019720600000000, 0.0031486800000000, -0.0008613400000000 ] - [ -0.0005254800000000, -0.0020090600000000, 0.0011900000000000 ] - [ 0.0004652900000000, 0.0008998500000000, -0.0003772700000000 ] - [ -0.0002281900000000, -0.0007001200000000, 0.0005304500000000 ] - [ 0.0001670400000000, -0.0011687300000000, 0.0009813200000000 ] - [ 0.0007403800000000, 0.0002523000000000, -0.0003623000000000 ] - [ -0.0003355100000000, 0.0041261200000000, -0.0009424000000000 ] - [ 0.0001853800000000, -0.0023306200000000, 0.0000738500000000 ] - [ -0.0003654400000000, -0.0019295700000000, -0.0028207000000000 ] - [ 0.0009464100000000, -0.0001783400000000, 0.0015668000000000 ] - [ -0.0005125400000000, 0.0001797100000000, -0.0006243800000000 ] - [ -0.0004865600000000, -0.0008802500000000, -0.0003840700000000 ] - [ 0.1105698600000000, 0.2846883400000000, 0.0012799700000000 ] - [ -0.0002569500000000, -0.0079988100000000, -0.0002762400000000 ] - [ -0.0006127400000000, 0.0003261200000000, 0.0009909300000000 ] - [ -0.0005982100000000, -0.0003209300000000, 0.0001182000000000 ] - [ -0.0002604900000000, -0.0009327900000000, -0.0005138700000000 ] - [ -0.0000957400000000, 0.0005367700000000, -0.0015313000000000 ] - [ 0.0017044400000000, -0.0024788400000000, 0.0004737100000000 ] - [ -0.0180862300000000, -0.0035853800000000, -0.0062347600000000 ] - [ -0.0002231600000000, -0.0005645900000000, -0.0003225800000000 ] - [ 0.0006201200000000, 0.0014547100000000, 0.0010881200000000 ] - [ 0.0040425300000000, 0.0017534800000000, 0.0063723300000000 ] - [ -0.0008685600000000, -0.0032072500000000, -0.0015845800000000 ] - [ -0.0007685800000000, -0.0152785800000000, 0.0032833200000000 ] - [ 0.0021770900000000, -0.0337024100000000, -0.0136938400000000 ] - [ -0.0004762300000000, -0.0012263700000000, 0.0001988500000000 ] - [ 0.0001732300000000, 0.0025807800000000, -0.0007578000000000 ] - [ 0.0018255000000000, -0.0053931700000000, -0.0029141400000000 ] - [ -0.0062582600000000, -0.0131190600000000, 0.0115816900000000 ] - [ -0.0002132600000000, 0.0005496600000000, -0.0002597100000000 ] - [ -0.0003481100000000, 0.0003204100000000, -0.0000918600000000 ] - [ 0.0007507800000000, 0.0012125600000000, -0.0006928300000000 ] - [ 0.0000478000000000, -0.0007839600000000, 0.0014148700000000 ] - [ -0.0022444100000000, 0.0016685200000000, -0.0003931900000000 ] - [ -0.0003335400000000, -0.0015593100000000, 0.0012286600000000 ] - [ 0.0001731000000000, 0.0004093400000000, -0.0002961800000000 ] - [ 0.0001971400000000, 0.0002183900000000, -0.0000668000000000 ] - [ 0.0001885400000000, -0.0004590100000000, -0.0002573500000000 ] - [ -0.0012339800000000, -0.0004533800000000, 0.0009645400000000 ] - [ -0.0004973500000000, -0.0008173800000000, -0.0005937900000000 ] - [ -0.0007665400000000, -0.0008385700000000, 0.0005358500000000 ] - [ -0.0014924300000000, 0.0030761500000000, 0.0003693700000000 ] - [ 0.0001216400000000, -0.0024670300000000, -0.0002953400000000 ] - [ 0.0008283500000000, -0.0002429300000000, 0.0018575300000000 ] - [ 0.0000835700000000, -0.0005248500000000, 0.0001760400000000 ] - [ -0.0102419300000000, -0.0004795700000000, 0.0012735100000000 ] - [ 0.0017692100000000, -0.0019560100000000, -0.0002578500000000 ] - [ -0.0001925400000000, -0.0007734400000000, -0.0003165600000000 ] - [ -0.0004894600000000, -0.0002814200000000, 0.0001455200000000 ]- atom: 75 displacement: [ -0.0004120271249244, 0.0000000000000000, 0.0099915080767783 ] forces: - [ -0.0003481100000000, 0.0017830400000000, -0.0007479300000000 ] - [ -0.0022190100000000, -0.0040523600000000, -0.0053003000000000 ] - [ 0.0065339300000000, 0.0088434900000000, 0.0184236400000000 ] - [ -0.0015015500000000, 0.0018521200000000, 0.0022398000000000 ] - [ 0.0004230700000000, 0.0004785400000000, -0.0028254400000000 ] - [ 0.0001004900000000, -0.0003204800000000, -0.0012065200000000 ] - [ -0.0004981100000000, 0.0004499400000000, -0.0008668700000000 ] - [ -0.0001726700000000, -0.0005181500000000, -0.0011723000000000 ] - [ 0.0009794000000000, 0.0006750200000000, -0.0004833700000000 ] - [ 0.0002974100000000, -0.0003443500000000, -0.0001697700000000 ] - [ 0.0001697000000000, -0.0006489000000000, -0.0013218100000000 ] - [ 0.0011253400000000, 0.0005683500000000, -0.0052182400000000 ] - [ -0.0001837900000000, -0.0001138600000000, 0.0010645600000000 ] - [ 0.0003724900000000, 0.0007544300000000, 0.0017193600000000 ] - [ -0.0008038600000000, -0.0004244300000000, -0.0014641300000000 ] - [ -0.0001566100000000, 0.0002677300000000, -0.0008752400000000 ] - [ 0.0003827500000000, 0.0004623400000000, 0.0024004800000000 ] - [ 0.0041260500000000, -0.0024493000000000, 0.0060452300000000 ] - [ 0.0003569300000000, -0.0001923300000000, -0.0019331100000000 ] - [ 0.0002747500000000, -0.0000083800000000, -0.0009766800000000 ] - [ -0.0012612300000000, 0.0004321100000000, 0.0093241000000000 ] - [ 0.0002246200000000, -0.0005323000000000, 0.0028866600000000 ] - [ -0.0002021100000000, -0.0001420600000000, -0.0012369900000000 ] - [ -0.0002711000000000, 0.0001198300000000, -0.0018820600000000 ] - [ 0.0011944600000000, 0.0022672600000000, 0.0085143400000000 ] - [ 0.0007622800000000, -0.0017599400000000, -0.0004911700000000 ] - [ 0.0004463100000000, -0.0005304900000000, -0.0027525800000000 ] - [ 0.0001396000000000, 0.0002013200000000, -0.0014437800000000 ] - [ -0.0002158700000000, 0.0000701600000000, -0.0007538600000000 ] - [ -0.0002609800000000, 0.0002622100000000, -0.0009975300000000 ] - [ -0.0003373600000000, 0.0004631200000000, 0.0010129000000000 ] - [ -0.0012376800000000, -0.0004537700000000, 0.0004441000000000 ] - [ -0.0004197400000000, -0.0001311800000000, -0.0014447300000000 ] - [ -0.0001353200000000, -0.0001429500000000, -0.0008596200000000 ] - [ -0.0064499100000000, 0.0005779000000000, -0.0037013700000000 ] - [ -0.0005440000000000, 0.0003335000000000, -0.0015943700000000 ] - [ -0.0008087900000000, -0.0013539600000000, -0.0012175500000000 ] - [ -0.0032371100000000, 0.0032988900000000, -0.0017950400000000 ] - [ 0.0009662500000000, -0.0003886100000000, 0.0055168200000000 ] - [ 0.0000526400000000, -0.0000989900000000, 0.0028539100000000 ] - [ 0.0003027800000000, 0.0004978800000000, -0.0008173000000000 ] - [ 0.0002954900000000, 0.0001372200000000, -0.0018155300000000 ] - [ 0.0009350600000000, -0.0018053700000000, -0.0036896900000000 ] - [ 0.0010146700000000, 0.0008963400000000, -0.0014856200000000 ] - [ 0.0009603300000000, 0.0011085300000000, -0.0013725000000000 ] - [ 0.0024159100000000, -0.0037272000000000, -0.0031105600000000 ] - [ -0.0011552900000000, -0.0004028500000000, 0.0062830900000000 ] - [ -0.0061983100000000, -0.0103460400000000, 0.0427765800000000 ] - [ 0.0001260800000000, -0.0000575100000000, 0.0007693000000000 ] - [ 0.0001349400000000, -0.0000018900000000, 0.0010952800000000 ] - [ 0.0019577000000000, -0.0010681200000000, -0.0003396500000000 ] - [ 0.0003592700000000, 0.0003881000000000, 0.0002338500000000 ] - [ -0.0003691000000000, -0.0002306800000000, 0.0008640500000000 ] - [ -0.0004838500000000, -0.0004239500000000, 0.0018332500000000 ] - [ 0.0004145900000000, -0.0002650700000000, 0.0005781600000000 ] - [ -0.0001838200000000, 0.0006305100000000, 0.0020952600000000 ] - [ -0.0011919100000000, -0.0015987500000000, 0.0011245900000000 ] - [ -0.0004905800000000, 0.0013300400000000, 0.0008420300000000 ] - [ 0.0026290100000000, 0.0025871600000000, -0.0018564800000000 ] - [ 0.0027858800000000, -0.0017385300000000, -0.0019298500000000 ] - [ -0.0000180400000000, 0.0002527100000000, 0.0001885500000000 ] - [ -0.0045316600000000, 0.0034976700000000, 0.0061528600000000 ] - [ -0.0049152600000000, 0.0016472600000000, 0.0018825900000000 ] - [ -0.0005098100000000, -0.0003868000000000, 0.0000442500000000 ] - [ -0.0001882400000000, -0.0000525600000000, 0.0015958400000000 ] - [ 0.0000194000000000, -0.0000871300000000, 0.0006751900000000 ] - [ 0.0002752100000000, -0.0008518400000000, 0.0002594800000000 ] - [ -0.0006237300000000, 0.0005505300000000, 0.0002772400000000 ] - [ 0.0024541300000000, -0.0014848400000000, 0.0040889000000000 ] - [ -0.0000391000000000, 0.0002594000000000, 0.0002503900000000 ] - [ 0.0007321300000000, 0.0009524400000000, 0.0020605100000000 ] - [ 0.0007562100000000, -0.0015705400000000, 0.0012775900000000 ] - [ -0.0000139700000000, -0.0003232800000000, 0.0012010400000000 ] - [ -0.0002410200000000, -0.0004150000000000, 0.0005555600000000 ] - [ -0.0016668400000000, 0.0012152600000000, -0.0829921500000000 ] - [ 0.0004977400000000, -0.0002008100000000, -0.0023456400000000 ] - [ -0.0006843600000000, -0.0000564500000000, 0.0019274900000000 ] - [ -0.0007583900000000, 0.0003051900000000, 0.0014930200000000 ] - [ -0.0002775800000000, -0.0003710700000000, 0.0003929800000000 ] - [ -0.0002263000000000, 0.0002261500000000, 0.0016915100000000 ] - [ -0.0002676900000000, 0.0001778500000000, -0.0016232800000000 ] - [ 0.0090164500000000, 0.0073537700000000, -0.0059957500000000 ] - [ 0.0009773200000000, 0.0006624400000000, 0.0009791900000000 ] - [ 0.0015488600000000, -0.0000905600000000, 0.0012509700000000 ] - [ 0.0086352300000000, -0.0045494600000000, 0.0107419400000000 ] - [ 0.0008250000000000, 0.0000136900000000, 0.0004636800000000 ] - [ -0.0002770000000000, -0.0045939700000000, -0.0030534600000000 ] - [ -0.0008060300000000, 0.0169602500000000, -0.0039241700000000 ] - [ 0.0000530600000000, 0.0002649800000000, 0.0002762000000000 ] - [ 0.0014727200000000, 0.0012384300000000, 0.0008646800000000 ] - [ -0.0013367700000000, 0.0035234100000000, -0.0029383500000000 ] - [ -0.0049667000000000, -0.0172684500000000, 0.0008234000000000 ] - [ -0.0001536500000000, 0.0003254800000000, 0.0009946000000000 ] - [ -0.0002825600000000, 0.0002968700000000, 0.0008050900000000 ] - [ -0.0003665400000000, 0.0010644600000000, 0.0017270100000000 ] - [ -0.0000428800000000, -0.0002453800000000, 0.0012948800000000 ] - [ 0.0004231200000000, 0.0001872000000000, -0.0015138700000000 ] - [ -0.0001990700000000, 0.0000916000000000, -0.0005797700000000 ] - [ 0.0001185900000000, 0.0001766700000000, 0.0011323300000000 ] - [ 0.0001357900000000, 0.0004031000000000, 0.0009257900000000 ] - [ -0.0005868200000000, 0.0005336400000000, 0.0006321700000000 ] - [ -0.0008223500000000, -0.0007439900000000, 0.0006211300000000 ] - [ -0.0001830100000000, -0.0003891100000000, -0.0016862900000000 ] - [ 0.0006567900000000, 0.0004563400000000, -0.0014727200000000 ] - [ -0.0002706400000000, -0.0007224200000000, -0.0019261900000000 ] - [ -0.0003407900000000, -0.0004231300000000, -0.0010547200000000 ] - [ 0.0016662500000000, -0.0011145900000000, 0.0037670200000000 ] - [ 0.0002856700000000, -0.0001426800000000, 0.0016949700000000 ] - [ -0.0050734100000000, -0.0020056700000000, -0.0039996000000000 ] - [ -0.0013959000000000, 0.0010341600000000, -0.0016517800000000 ] - [ -0.0002152600000000, -0.0005270200000000, 0.0008015500000000 ] - [ -0.0001907700000000, -0.0005185100000000, 0.0011543600000000 ]- atom: 75 displacement: [ 0.0004120271249244, 0.0000000000000000, -0.0099915080767783 ] forces: - [ 0.0000090600000000, -0.0017635400000000, 0.0001089600000000 ] - [ 0.0019044500000000, 0.0041407500000000, 0.0046672400000000 ] - [ -0.0058275600000000, -0.0081977500000000, -0.0181384600000000 ] - [ 0.0018462300000000, -0.0017750400000000, -0.0023446200000000 ] - [ -0.0000915600000000, -0.0005739600000000, 0.0027127200000000 ] - [ 0.0002332700000000, 0.0002206000000000, 0.0010824300000000 ] - [ 0.0001662900000000, -0.0005535600000000, 0.0009834500000000 ] - [ -0.0001604400000000, 0.0004237700000000, 0.0012849400000000 ] - [ -0.0008556800000000, -0.0005957500000000, -0.0001634900000000 ] - [ -0.0001655400000000, 0.0004228600000000, -0.0004765800000000 ] - [ -0.0005062800000000, 0.0006030300000000, 0.0006794500000000 ] - [ -0.0014582900000000, -0.0005810000000000, 0.0045881400000000 ] - [ -0.0001546300000000, 0.0002059900000000, -0.0009406800000000 ] - [ -0.0007173000000000, -0.0006522000000000, -0.0015879200000000 ] - [ 0.0009294600000000, 0.0003429600000000, 0.0008205900000000 ] - [ 0.0002903000000000, -0.0003515700000000, 0.0002349600000000 ] - [ -0.0005216300000000, -0.0005496100000000, -0.0017525300000000 ] - [ -0.0042088600000000, 0.0023731100000000, -0.0054395100000000 ] - [ -0.0000130700000000, 0.0002300900000000, 0.0025739400000000 ] - [ 0.0000675800000000, 0.0000453100000000, 0.0016165800000000 ] - [ 0.0015657100000000, -0.0004056500000000, -0.0087094900000000 ] - [ 0.0001093300000000, 0.0004669100000000, -0.0022385900000000 ] - [ 0.0000656100000000, 0.0002201700000000, 0.0018753500000000 ] - [ 0.0001333800000000, -0.0000336900000000, 0.0025216800000000 ] - [ -0.0003559500000000, -0.0015148100000000, -0.0097456700000000 ] - [ -0.0002825500000000, 0.0019312200000000, 0.0000266100000000 ] - [ 0.0000223100000000, 0.0003157600000000, 0.0022954500000000 ] - [ 0.0003260400000000, -0.0004129700000000, 0.0009983800000000 ] - [ -0.0002502200000000, 0.0001409400000000, 0.0011996200000000 ] - [ -0.0002052800000000, -0.0000490600000000, 0.0014440200000000 ] - [ -0.0001271000000000, -0.0006671000000000, -0.0005690800000000 ] - [ 0.0007389700000000, 0.0002529300000000, -0.0000223000000000 ] - [ 0.0002328200000000, -0.0001537900000000, 0.0025683800000000 ] - [ -0.0000487100000000, -0.0001458600000000, 0.0019796800000000 ] - [ 0.0060828600000000, 0.0001856200000000, 0.0019886600000000 ] - [ 0.0001407100000000, 0.0004068500000000, -0.0001306900000000 ] - [ 0.0009892600000000, 0.0016197000000000, 0.0000801400000000 ] - [ 0.0034005400000000, -0.0029738100000000, 0.0006891800000000 ] - [ -0.0011600100000000, 0.0006811600000000, -0.0043748300000000 ] - [ -0.0002377800000000, 0.0003722500000000, -0.0017179300000000 ] - [ 0.0001008000000000, 0.0002457000000000, 0.0025260700000000 ] - [ 0.0001102100000000, 0.0006139500000000, 0.0035238800000000 ] - [ -0.0013253600000000, 0.0010640900000000, 0.0019938000000000 ] - [ -0.0014192900000000, -0.0016487400000000, -0.0002189700000000 ] - [ -0.0007810100000000, -0.0014042100000000, 0.0002452400000000 ] - [ -0.0022428900000000, 0.0034764400000000, 0.0019873300000000 ] - [ 0.0015615900000000, -0.0003643700000000, -0.0045600000000000 ] - [ 0.0070284000000000, 0.0105153500000000, -0.0412517300000000 ] - [ 0.0001672700000000, 0.0000426000000000, -0.0007454300000000 ] - [ 0.0001602200000000, -0.0000183100000000, -0.0010715900000000 ] - [ -0.0014911400000000, 0.0008207200000000, 0.0007350500000000 ] - [ 0.0001259500000000, -0.0006258700000000, 0.0001650400000000 ] - [ -0.0001075600000000, -0.0000166400000000, -0.0012489700000000 ] - [ 0.0000057500000000, 0.0001707300000000, -0.0022188100000000 ] - [ 0.0008051200000000, 0.0003328600000000, -0.0016917200000000 ] - [ 0.0014086900000000, -0.0005742400000000, -0.0032170700000000 ] - [ 0.0009022700000000, 0.0015882000000000, -0.0011524000000000 ] - [ 0.0001908800000000, -0.0013563900000000, -0.0008538400000000 ] - [ -0.0013876900000000, -0.0026188500000000, 0.0007423100000000 ] - [ -0.0015689100000000, 0.0016656900000000, 0.0007968300000000 ] - [ 0.0004563000000000, 0.0006505700000000, 0.0001134200000000 ] - [ 0.0050256200000000, -0.0026371800000000, -0.0059195800000000 ] - [ 0.0053506500000000, -0.0010565700000000, -0.0002962400000000 ] - [ 0.0009712600000000, 0.0009924600000000, 0.0015611800000000 ] - [ 0.0006640200000000, 0.0002994600000000, -0.0012130000000000 ] - [ 0.0004578500000000, 0.0003393400000000, -0.0002929000000000 ] - [ 0.0006577500000000, 0.0001191200000000, 0.0005018200000000 ] - [ 0.0015647900000000, -0.0012955500000000, 0.0004918100000000 ] - [ -0.0027211800000000, 0.0014822600000000, -0.0040723500000000 ] - [ -0.0002564000000000, -0.0002323600000000, -0.0002750200000000 ] - [ -0.0002905600000000, -0.0018378600000000, -0.0017522300000000 ] - [ -0.0003179700000000, 0.0006695500000000, -0.0009851800000000 ] - [ -0.0009121500000000, -0.0004134100000000, -0.0019568700000000 ] - [ -0.0006887600000000, -0.0003208400000000, -0.0013155500000000 ] - [ 0.0006816600000000, -0.0040528500000000, 0.0832981500000000 ] - [ -0.0002498600000000, -0.0004479500000000, 0.0020605000000000 ] - [ -0.0005316700000000, 0.0001211800000000, -0.0008149700000000 ] - [ -0.0004594300000000, -0.0002400300000000, -0.0003738100000000 ] - [ -0.0001834600000000, -0.0002232600000000, -0.0019998800000000 ] - [ -0.0002378800000000, -0.0008276500000000, -0.0032940000000000 ] - [ -0.0003565200000000, 0.0008469100000000, 0.0012709500000000 ] - [ -0.0095633900000000, -0.0062609700000000, 0.0057477500000000 ] - [ -0.0000451600000000, 0.0000786900000000, -0.0002180500000000 ] - [ -0.0006115100000000, 0.0008183100000000, -0.0004944400000000 ] - [ -0.0081099100000000, 0.0035912500000000, -0.0105257500000000 ] - [ -0.0002008100000000, -0.0010206600000000, -0.0000999800000000 ] - [ -0.0002032500000000, 0.0048610400000000, 0.0026703600000000 ] - [ 0.0003365100000000, -0.0166792400000000, 0.0036446400000000 ] - [ -0.0002985200000000, 0.0004126600000000, 0.0000076900000000 ] - [ -0.0017268800000000, -0.0005849300000000, -0.0005731500000000 ] - [ 0.0008623400000000, -0.0029086500000000, 0.0013192300000000 ] - [ 0.0044699500000000, 0.0177447800000000, -0.0024489300000000 ] - [ -0.0002854400000000, 0.0005693700000000, -0.0012927100000000 ] - [ -0.0001541800000000, 0.0005985900000000, -0.0011045700000000 ] - [ 0.0009780000000000, -0.0000445700000000, -0.0013718100000000 ] - [ 0.0006633900000000, 0.0012672400000000, -0.0009485300000000 ] - [ -0.0016297100000000, -0.0002583700000000, 0.0026186800000000 ] - [ -0.0010161800000000, -0.0001476900000000, 0.0016825800000000 ] - [ 0.0001278700000000, 0.0004952800000000, -0.0014132600000000 ] - [ 0.0001110600000000, 0.0002627100000000, -0.0012078700000000 ] - [ 0.0003383200000000, -0.0012024800000000, -0.0003534500000000 ] - [ 0.0005778700000000, 0.0000752400000000, -0.0003453600000000 ] - [ 0.0004838600000000, 0.0004043600000000, 0.0017063200000000 ] - [ -0.0003515800000000, -0.0004316500000000, 0.0014917400000000 ] - [ -0.0001553200000000, -0.0001834000000000, 0.0016247100000000 ] - [ -0.0001003100000000, -0.0004619700000000, 0.0007589500000000 ] - [ -0.0012181500000000, 0.0005172100000000, -0.0021668100000000 ] - [ 0.0001739900000000, -0.0004574600000000, -0.0000767800000000 ] - [ 0.0041518400000000, 0.0027336200000000, 0.0032496300000000 ] - [ 0.0004619600000000, -0.0002903400000000, 0.0008938600000000 ] - [ -0.0004073400000000, -0.0004897100000000, -0.0011545100000000 ] - [ -0.0004323800000000, -0.0005035800000000, -0.0015096600000000 ]- atom: 81 displacement: [ 0.0099999999631191, 0.0000000000000000, -0.0000008588465536 ] forces: - [ 0.0072580700000000, -0.0015397400000000, 0.0065576300000000 ] - [ 0.0006166700000000, -0.0000585000000000, 0.0001259200000000 ] - [ -0.0026007500000000, 0.0036004100000000, -0.0026175100000000 ] - [ -0.0021260500000000, -0.0034862100000000, -0.0030287100000000 ] - [ 0.0000625500000000, 0.0003527100000000, 0.0001860900000000 ] - [ -0.0000700400000000, -0.0004978100000000, 0.0002578000000000 ] - [ -0.0010625000000000, -0.0006649900000000, -0.0020739100000000 ] - [ -0.0004699200000000, 0.0000936200000000, -0.0005051800000000 ] - [ -0.0023910100000000, -0.0008524200000000, -0.0008438900000000 ] - [ -0.0023006300000000, 0.0011772800000000, -0.0018508200000000 ] - [ 0.0012962100000000, -0.0009197400000000, -0.0034200000000000 ] - [ 0.0002919300000000, 0.0000650500000000, -0.0006101400000000 ] - [ -0.0040476100000000, 0.0007244400000000, 0.0080298400000000 ] - [ -0.0001472200000000, 0.0000876100000000, 0.0006903500000000 ] - [ -0.0004926500000000, 0.0001432800000000, -0.0001494900000000 ] - [ -0.0006061500000000, -0.0000644500000000, -0.0001264400000000 ] - [ -0.0105922900000000, -0.0013555100000000, 0.0007128600000000 ] - [ -0.0013750300000000, 0.0000421900000000, 0.0005632700000000 ] - [ 0.0005150400000000, 0.0000402700000000, -0.0002109400000000 ] - [ 0.0005887900000000, -0.0001057200000000, -0.0000542400000000 ] - [ 0.0069518100000000, -0.0040217100000000, 0.0020882300000000 ] - [ 0.0094867300000000, 0.0033458200000000, 0.0017598200000000 ] - [ -0.0005649400000000, 0.0000380500000000, -0.0001711700000000 ] - [ -0.0003162800000000, 0.0000805600000000, 0.0000013400000000 ] - [ -0.0010233200000000, 0.0059414900000000, 0.0030444700000000 ] - [ -0.0017396600000000, -0.0032422300000000, 0.0037422700000000 ] - [ 0.0001669700000000, 0.0002473600000000, -0.0007468000000000 ] - [ 0.0003629500000000, -0.0004477900000000, -0.0007398800000000 ] - [ -0.0001798900000000, 0.0000003900000000, 0.0001604400000000 ] - [ -0.0002456000000000, 0.0001847300000000, 0.0001448700000000 ] - [ 0.0334753000000000, 0.0039246900000000, 0.0141779600000000 ] - [ -0.0001564800000000, 0.0001044000000000, 0.0002033600000000 ] - [ -0.0004352200000000, -0.0002877000000000, -0.0000576000000000 ] - [ -0.0006402300000000, -0.0000903900000000, -0.0000500200000000 ] - [ 0.0046835100000000, -0.0022307700000000, -0.0028696700000000 ] - [ 0.0048934500000000, 0.0047410000000000, -0.0012662600000000 ] - [ -0.0021062700000000, -0.0000755600000000, -0.0018179000000000 ] - [ -0.0007832900000000, 0.0000676900000000, -0.0005813200000000 ] - [ -0.0056776400000000, -0.0054129700000000, 0.0007044300000000 ] - [ -0.0050017900000000, 0.0059710900000000, 0.0039785900000000 ] - [ 0.0006073700000000, 0.0009005000000000, 0.0009358300000000 ] - [ 0.0005707700000000, 0.0004441600000000, 0.0005734500000000 ] - [ 0.0014695200000000, -0.0000390700000000, -0.0005635600000000 ] - [ 0.0004110200000000, 0.0000256900000000, 0.0003155400000000 ] - [ -0.0038091900000000, 0.0001434300000000, -0.0000652100000000 ] - [ -0.0008504300000000, -0.0000407700000000, -0.0005799600000000 ] - [ 0.1967619600000000, -0.0087787800000000, 0.0873528000000000 ] - [ 0.0024621300000000, -0.0000742800000000, 0.0013199500000000 ] - [ 0.0004293400000000, -0.0001068300000000, 0.0005388700000000 ] - [ 0.0002602600000000, -0.0000267700000000, 0.0002589000000000 ] - [ 0.0009769400000000, 0.0068427400000000, 0.0062061700000000 ] - [ -0.0004679200000000, -0.0014374300000000, 0.0007138300000000 ] - [ -0.0001521400000000, -0.0000592900000000, 0.0001654700000000 ] - [ -0.0003222300000000, -0.0002456000000000, 0.0000453400000000 ] - [ 0.0015701100000000, -0.0000544100000000, -0.0006700200000000 ] - [ 0.0009341800000000, -0.0000363600000000, -0.0004945200000000 ] - [ 0.0017046000000000, -0.0003197400000000, -0.0018381000000000 ] - [ 0.0002906100000000, 0.0003055700000000, -0.0002309700000000 ] - [ 0.0035855800000000, -0.0001609500000000, 0.0002821700000000 ] - [ 0.0015476800000000, 0.0003992200000000, -0.0006890300000000 ] - [ 0.0025864500000000, 0.0007693600000000, -0.0018069700000000 ] - [ 0.0007614400000000, 0.0001176600000000, -0.0001599400000000 ] - [ -0.0007458500000000, 0.0002787500000000, -0.0001221700000000 ] - [ -0.0018026900000000, -0.0012936800000000, -0.0020293000000000 ] - [ 0.0000682600000000, 0.0000899900000000, 0.0001222000000000 ] - [ 0.0001854300000000, 0.0001006100000000, -0.0002453700000000 ] - [ 0.0044066100000000, -0.0001917400000000, 0.0017852400000000 ] - [ 0.0012445900000000, -0.0004855200000000, 0.0005839700000000 ] - [ 0.0002724400000000, -0.0005755700000000, 0.0004389600000000 ] - [ 0.0008265100000000, 0.0001459800000000, 0.0010976000000000 ] - [ 0.0010938900000000, -0.0006718500000000, 0.0012170200000000 ] - [ 0.0004707000000000, -0.0001593200000000, 0.0006983900000000 ] - [ -0.0000799000000000, -0.0004245400000000, -0.0000039700000000 ] - [ 0.0000082800000000, -0.0002529100000000, -0.0000178600000000 ] - [ -0.0007926300000000, -0.0023567600000000, -0.0001353800000000 ] - [ 0.0208524600000000, 0.0175305600000000, 0.0100914900000000 ] - [ 0.0000266700000000, 0.0002531400000000, 0.0011505300000000 ] - [ -0.0001429500000000, -0.0000706200000000, 0.0012402400000000 ] - [ -0.0006343700000000, 0.0002163100000000, -0.0021413400000000 ] - [ -0.0005067500000000, -0.0003452200000000, -0.0007256400000000 ] - [ -0.3231684600000000, 0.0054168000000000, -0.1381909700000000 ] - [ -0.0017710600000000, 0.0003884700000000, -0.0006372300000000 ] - [ 0.0015949800000000, 0.0005841400000000, 0.0006159100000000 ] - [ 0.0009231200000000, 0.0003921800000000, 0.0004566400000000 ] - [ -0.0025093200000000, -0.0012908900000000, -0.0010364500000000 ] - [ -0.0030150900000000, 0.0010572000000000, -0.0021549700000000 ] - [ 0.0338999300000000, -0.0161341300000000, -0.0007299100000000 ] - [ -0.0003177700000000, 0.0012742800000000, -0.0008012100000000 ] - [ -0.0006056100000000, -0.0033792400000000, 0.0084923900000000 ] - [ -0.0009689900000000, 0.0015026000000000, 0.0006226300000000 ] - [ 0.0017398600000000, -0.0035454700000000, 0.0121542800000000 ] - [ -0.0011953000000000, 0.0007319800000000, -0.0006188100000000 ] - [ -0.0001082700000000, 0.0004736100000000, 0.0002136300000000 ] - [ -0.0001201200000000, 0.0003606300000000, 0.0000598600000000 ] - [ -0.0004990800000000, -0.0000756400000000, 0.0006448000000000 ] - [ -0.0005008100000000, 0.0005945900000000, -0.0000936700000000 ] - [ 0.0010497100000000, 0.0010610900000000, -0.0007924100000000 ] - [ 0.0013698900000000, -0.0009202600000000, -0.0014094800000000 ] - [ -0.0000146100000000, 0.0001527300000000, -0.0000292400000000 ] - [ -0.0000594500000000, 0.0004499500000000, -0.0000555800000000 ] - [ -0.0012355000000000, 0.0001097200000000, -0.0005739300000000 ] - [ -0.0002475600000000, -0.0005952300000000, -0.0002152400000000 ] - [ 0.0129281200000000, 0.0093143000000000, -0.0039179900000000 ] - [ 0.0007872200000000, -0.0016082400000000, -0.0005282300000000 ] - [ 0.0009652600000000, 0.0008890000000000, -0.0001269800000000 ] - [ 0.0139254800000000, -0.0100998200000000, -0.0028054600000000 ] - [ -0.0008882100000000, -0.0000215600000000, 0.0020993300000000 ] - [ -0.0007557300000000, -0.0011621800000000, 0.0013669000000000 ] - [ 0.0055950100000000, -0.0004567800000000, 0.0006448000000000 ] - [ 0.0050269500000000, -0.0002381300000000, -0.0005540800000000 ] - [ -0.0008671200000000, -0.0006273000000000, 0.0000170800000000 ] - [ -0.0005337600000000, -0.0005740300000000, -0.0000687100000000 ]- atom: 81 displacement: [ -0.0099999999631191, 0.0000000000000000, 0.0000008588465536 ] forces: - [ -0.0075017300000000, 0.0015518600000000, -0.0072811900000000 ] - [ -0.0009483200000000, 0.0000950900000000, -0.0007523600000000 ] - [ 0.0029531300000000, -0.0035081400000000, 0.0024847300000000 ] - [ 0.0024690400000000, 0.0035761800000000, 0.0029091500000000 ] - [ 0.0002782800000000, -0.0004442000000000, -0.0002966400000000 ] - [ 0.0004150300000000, 0.0004028800000000, -0.0003696200000000 ] - [ 0.0007170600000000, 0.0005693900000000, 0.0021870300000000 ] - [ 0.0001291900000000, -0.0001880000000000, 0.0006164300000000 ] - [ 0.0025220500000000, 0.0009518600000000, 0.0002011900000000 ] - [ 0.0024354400000000, -0.0010936000000000, 0.0012160100000000 ] - [ -0.0016332600000000, 0.0008912000000000, 0.0028105200000000 ] - [ -0.0006253600000000, -0.0000981500000000, -0.0000204800000000 ] - [ 0.0036987000000000, -0.0006350400000000, -0.0079598900000000 ] - [ -0.0002001800000000, 0.0000062600000000, -0.0005815100000000 ] - [ 0.0006296200000000, -0.0002367400000000, -0.0005063700000000 ] - [ 0.0007418400000000, -0.0000302900000000, -0.0005309500000000 ] - [ 0.0104414100000000, 0.0012545400000000, -0.0000620000000000 ] - [ 0.0012399700000000, -0.0001352700000000, 0.0000902800000000 ] - [ -0.0001796400000000, -0.0000080100000000, 0.0008391100000000 ] - [ -0.0002529100000000, 0.0001402300000000, 0.0006828700000000 ] - [ -0.0066342200000000, 0.0039367000000000, -0.0014538700000000 ] - [ -0.0091833900000000, -0.0033626200000000, -0.0011265000000000 ] - [ 0.0004291400000000, 0.0000554000000000, 0.0008225500000000 ] - [ 0.0001780100000000, 0.0000133900000000, 0.0006482000000000 ] - [ 0.0014858800000000, -0.0057184100000000, -0.0034629200000000 ] - [ 0.0022077200000000, 0.0034372600000000, -0.0041657100000000 ] - [ 0.0002870300000000, -0.0004590500000000, 0.0003098100000000 ] - [ 0.0000922000000000, 0.0002403200000000, 0.0003017300000000 ] - [ -0.0002745300000000, 0.0002099600000000, 0.0002716900000000 ] - [ -0.0002059100000000, 0.0000259700000000, 0.0002897100000000 ] - [ -0.0363274000000000, -0.0045164200000000, -0.0151945800000000 ] - [ -0.0002981400000000, -0.0003037900000000, 0.0002357700000000 ] - [ 0.0002404700000000, 0.0000019600000000, 0.0011882300000000 ] - [ 0.0004454600000000, -0.0001966200000000, 0.0011772600000000 ] - [ -0.0050986400000000, 0.0029661600000000, 0.0011640700000000 ] - [ -0.0053344600000000, -0.0039859500000000, -0.0004446500000000 ] - [ 0.0023120800000000, 0.0003652200000000, 0.0006792900000000 ] - [ 0.0009774000000000, 0.0002171600000000, -0.0005522400000000 ] - [ 0.0054766100000000, 0.0057191100000000, 0.0004184000000000 ] - [ 0.0048063400000000, -0.0057179100000000, -0.0028672400000000 ] - [ -0.0001890400000000, -0.0001584000000000, 0.0007567800000000 ] - [ -0.0001538100000000, 0.0003016700000000, 0.0011195700000000 ] - [ -0.0018911200000000, -0.0007054700000000, -0.0011254800000000 ] - [ -0.0008259400000000, -0.0007661400000000, -0.0019979200000000 ] - [ 0.0040093400000000, -0.0004323600000000, -0.0010466200000000 ] - [ 0.0010439600000000, -0.0002428100000000, -0.0005431400000000 ] - [ -0.1861494300000000, 0.0074272900000000, -0.0789280500000000 ] - [ -0.0020357400000000, -0.0006711000000000, 0.0003793300000000 ] - [ -0.0001253600000000, 0.0000964600000000, -0.0005183900000000 ] - [ 0.0000431500000000, 0.0000161200000000, -0.0002378200000000 ] - [ -0.0004633400000000, -0.0070983600000000, -0.0058208800000000 ] - [ 0.0009685700000000, 0.0011868200000000, -0.0003252700000000 ] - [ -0.0003371600000000, -0.0001916400000000, -0.0005519200000000 ] - [ -0.0001652300000000, -0.0000046800000000, -0.0004331200000000 ] - [ -0.0003543500000000, 0.0001214300000000, -0.0004508600000000 ] - [ 0.0002829200000000, 0.0001014900000000, -0.0006208400000000 ] - [ -0.0020136800000000, 0.0003053600000000, 0.0018047400000000 ] - [ -0.0005978200000000, -0.0003171000000000, 0.0002086600000000 ] - [ -0.0023805500000000, 0.0000954600000000, -0.0013761300000000 ] - [ -0.0003314800000000, -0.0004615400000000, -0.0004200100000000 ] - [ -0.0021626300000000, 0.0001275500000000, 0.0020957300000000 ] - [ -0.0003321100000000, 0.0007706800000000, 0.0004566000000000 ] - [ 0.0012342000000000, 0.0003091300000000, 0.0017092600000000 ] - [ 0.0023007500000000, 0.0018677200000000, 0.0035991100000000 ] - [ 0.0004222100000000, 0.0001611500000000, 0.0002652000000000 ] - [ 0.0003059400000000, 0.0001510600000000, 0.0006293200000000 ] - [ -0.0034848400000000, -0.0005456300000000, -0.0010427400000000 ] - [ -0.0003147200000000, -0.0002495900000000, 0.0001728200000000 ] - [ -0.0005769700000000, 0.0005869600000000, -0.0004576600000000 ] - [ -0.0011336700000000, -0.0001390800000000, -0.0011148700000000 ] - [ -0.0006707700000000, -0.0002198200000000, -0.0009180700000000 ] - [ -0.0000393200000000, -0.0007294800000000, -0.0003951700000000 ] - [ -0.0008460000000000, -0.0003106500000000, -0.0007544200000000 ] - [ -0.0009354900000000, -0.0004826400000000, -0.0007408400000000 ] - [ 0.0010225700000000, 0.0016860900000000, -0.0001437800000000 ] - [ -0.0203778900000000, -0.0179420500000000, -0.0102005500000000 ] - [ -0.0012395900000000, -0.0001894100000000, -0.0000425500000000 ] - [ -0.0010712500000000, 0.0001370500000000, -0.0001290700000000 ] - [ 0.0001514400000000, -0.0008038900000000, 0.0005543000000000 ] - [ 0.0000239300000000, -0.0002406700000000, -0.0008683800000000 ] - [ 0.3142112500000000, -0.0032170800000000, 0.1324786200000000 ] - [ 0.0011421700000000, 0.0006306600000000, 0.0002781100000000 ] - [ -0.0006688300000000, 0.0001505800000000, 0.0001477000000000 ] - [ 0.0000050400000000, 0.0003424200000000, 0.0003045300000000 ] - [ 0.0031267500000000, 0.0002777800000000, 0.0013971400000000 ] - [ 0.0036258100000000, -0.0021077200000000, 0.0025398600000000 ] - [ -0.0338063400000000, 0.0160343800000000, 0.0003398000000000 ] - [ -0.0001773000000000, -0.0010218100000000, 0.0004093000000000 ] - [ 0.0003969100000000, 0.0040439400000000, -0.0082293200000000 ] - [ 0.0007315200000000, -0.0008391100000000, -0.0003396300000000 ] - [ -0.0023315900000000, 0.0041426600000000, -0.0137618100000000 ] - [ 0.0007081300000000, -0.0001441900000000, -0.0009790700000000 ] - [ -0.0003218400000000, 0.0004165600000000, -0.0005124200000000 ] - [ -0.0003083100000000, 0.0005312800000000, -0.0003598800000000 ] - [ 0.0011256600000000, 0.0010959900000000, -0.0002887100000000 ] - [ 0.0011239100000000, 0.0004214000000000, 0.0004490900000000 ] - [ -0.0022680800000000, -0.0011371300000000, 0.0019194800000000 ] - [ -0.0025853300000000, 0.0008632300000000, 0.0025339700000000 ] - [ 0.0002534400000000, 0.0005128200000000, -0.0002535600000000 ] - [ 0.0002983600000000, 0.0002132000000000, -0.0002272800000000 ] - [ 0.0010031100000000, -0.0007761000000000, 0.0008590100000000 ] - [ 0.0000108300000000, -0.0000734900000000, 0.0004955500000000 ] - [ -0.0127322300000000, -0.0093969500000000, 0.0039841600000000 ] - [ -0.0004724800000000, 0.0016313200000000, 0.0005524500000000 ] - [ -0.0013847700000000, -0.0017919300000000, -0.0001766300000000 ] - [ -0.0145093300000000, 0.0093215900000000, 0.0025207700000000 ] - [ 0.0013724000000000, -0.0005624000000000, -0.0005012600000000 ] - [ 0.0012429100000000, 0.0005749300000000, 0.0002356400000000 ] - [ -0.0065155200000000, 0.0011694000000000, -0.0014069800000000 ] - [ -0.0059672800000000, 0.0009910100000000, -0.0002065800000000 ] - [ 0.0002421400000000, -0.0003894900000000, -0.0003751300000000 ] - [ -0.0000917600000000, -0.0004446500000000, -0.0002891500000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006272700000000, 0.0077368900000000, -0.0025833600000000 ] - [ -0.0001218700000000, -0.0027642400000000, 0.0001040500000000 ] - [ 0.0015148300000000, -0.0017264700000000, 0.0014724000000000 ] - [ -0.0011350900000000, -0.0019166600000000, -0.0027555100000000 ] - [ 0.0003243900000000, -0.0005324800000000, -0.0005463700000000 ] - [ -0.0002058000000000, 0.0004527000000000, 0.0005073400000000 ] - [ -0.0001513500000000, 0.0019283200000000, -0.0003838000000000 ] - [ -0.0000161000000000, -0.0013826600000000, 0.0002662000000000 ] - [ -0.0014575600000000, -0.0008686500000000, -0.0011846100000000 ] - [ 0.0011823500000000, 0.0001376900000000, 0.0010209500000000 ] - [ -0.0008389300000000, 0.0016983200000000, 0.0011912200000000 ] - [ -0.0001415800000000, -0.0010743200000000, -0.0006038700000000 ] - [ 0.0006547600000000, 0.0043912800000000, -0.0002024600000000 ] - [ -0.0002894100000000, -0.0021166000000000, 0.0000288800000000 ] - [ -0.0000221000000000, -0.0001602500000000, 0.0001432500000000 ] - [ 0.0004082700000000, -0.0000132500000000, -0.0008958700000000 ] - [ 0.0008732300000000, 0.0044749300000000, 0.0007925300000000 ] - [ -0.0001649500000000, -0.0021556000000000, 0.0004754200000000 ] - [ 0.0002125500000000, -0.0002238600000000, 0.0000504300000000 ] - [ 0.0000030200000000, 0.0002265000000000, 0.0005121800000000 ] - [ -0.0008348600000000, -0.0125039200000000, 0.0030779300000000 ] - [ 0.0033258900000000, -0.0024899900000000, 0.0002401000000000 ] - [ 0.0000399700000000, 0.0004627000000000, 0.0003713600000000 ] - [ -0.0000684700000000, -0.0003652900000000, 0.0002565200000000 ] - [ 0.0015746200000000, -0.0026953100000000, -0.0015429800000000 ] - [ -0.0023159800000000, -0.0012753100000000, 0.0022171400000000 ] - [ 0.0003505100000000, -0.0004292000000000, 0.0000130000000000 ] - [ 0.0000292500000000, 0.0001847700000000, -0.0004699200000000 ] - [ -0.0002969800000000, 0.0008942200000000, 0.0002610800000000 ] - [ -0.0001388700000000, -0.0005623800000000, 0.0000613400000000 ] - [ 0.0032520100000000, 0.0100030800000000, 0.0022982200000000 ] - [ -0.0000158500000000, -0.0028279900000000, 0.0004972400000000 ] - [ -0.0000647300000000, -0.0004864700000000, 0.0000343400000000 ] - [ 0.0001121000000000, 0.0001290000000000, 0.0009470100000000 ] - [ 0.0013244100000000, -0.0031107600000000, -0.0050408800000000 ] - [ 0.0025347900000000, -0.0004499500000000, 0.0035398000000000 ] - [ 0.0008071100000000, 0.0018183600000000, 0.0000401100000000 ] - [ 0.0000193900000000, -0.0011031000000000, -0.0009466800000000 ] - [ -0.0012038000000000, -0.0027506400000000, 0.0017303400000000 ] - [ 0.0011415200000000, -0.0016337000000000, -0.0015387200000000 ] - [ 0.0003064100000000, 0.0008230400000000, 0.0009365900000000 ] - [ 0.0000258200000000, -0.0002683300000000, 0.0007317800000000 ] - [ -0.0007622800000000, -0.0002203800000000, 0.0010183800000000 ] - [ -0.0000737600000000, -0.0018573900000000, -0.0044876200000000 ] - [ 0.0002421700000000, 0.0016266500000000, -0.0010199900000000 ] - [ 0.0002242600000000, -0.0015807400000000, -0.0004955300000000 ] - [ -0.0074924900000000, 0.0417244900000000, -0.0034245900000000 ] - [ 0.0000700500000000, -0.0043007800000000, 0.0009972900000000 ] - [ 0.0000068200000000, -0.0004576400000000, -0.0000462500000000 ] - [ 0.0001587200000000, 0.0004502300000000, 0.0000766300000000 ] - [ 0.0047044900000000, 0.0050907200000000, 0.0076181200000000 ] - [ -0.0011675600000000, 0.0013559800000000, -0.0017837700000000 ] - [ -0.0003691800000000, -0.0005448700000000, -0.0002464900000000 ] - [ -0.0001932100000000, 0.0002413700000000, -0.0001845600000000 ] - [ 0.0006292700000000, -0.0005477000000000, -0.0003815600000000 ] - [ 0.0005384600000000, 0.0005446200000000, -0.0006384400000000 ] - [ -0.0007625400000000, -0.0005228800000000, 0.0011154700000000 ] - [ 0.0004623600000000, 0.0008190100000000, -0.0004793100000000 ] - [ 0.0002149000000000, -0.0014236600000000, -0.0011591600000000 ] - [ 0.0008334800000000, 0.0010835500000000, -0.0002294000000000 ] - [ 0.0006897900000000, -0.0014493100000000, -0.0002670900000000 ] - [ -0.0000256700000000, 0.0016964100000000, 0.0004429700000000 ] - [ 0.0006946600000000, 0.0016709600000000, -0.0016091800000000 ] - [ -0.0010734100000000, 0.0013371700000000, 0.0077364000000000 ] - [ 0.0005607000000000, 0.0005609900000000, -0.0003526100000000 ] - [ -0.0003005400000000, -0.0003569400000000, 0.0014883800000000 ] - [ 0.0007131100000000, -0.0018794500000000, 0.0006906600000000 ] - [ 0.0002840800000000, 0.0007810700000000, 0.0002243100000000 ] - [ -0.0002550600000000, 0.0009012300000000, -0.0002156600000000 ] - [ -0.0001613200000000, -0.0012669300000000, 0.0003412100000000 ] - [ -0.0003536700000000, -0.0007057500000000, -0.0005123800000000 ] - [ 0.0004052100000000, 0.0000399200000000, 0.0005715800000000 ] - [ -0.0004132900000000, -0.0001420400000000, -0.0003029100000000 ] - [ -0.0005896600000000, -0.0005637800000000, -0.0004154200000000 ] - [ -0.0002095500000000, 0.0026610600000000, -0.0004898400000000 ] - [ 0.0228444500000000, 0.0037861800000000, 0.0076210000000000 ] - [ -0.0004137100000000, 0.0000246200000000, 0.0013527500000000 ] - [ -0.0008617400000000, 0.0000885100000000, -0.0000239600000000 ] - [ -0.0001135000000000, -0.0011475700000000, -0.0004674600000000 ] - [ -0.0002245000000000, 0.0003872800000000, -0.0006061000000000 ] - [ 0.0044114900000000, -0.0550927200000000, 0.0008020800000000 ] - [ -0.0004128400000000, 0.0050599100000000, -0.0002346400000000 ] - [ 0.0002354000000000, -0.0002729300000000, 0.0002697700000000 ] - [ 0.0004816300000000, 0.0009108200000000, 0.0004379900000000 ] - [ -0.0004780900000000, 0.0017593000000000, 0.0020719700000000 ] - [ 0.0018970600000000, 0.0030558800000000, -0.0056800800000000 ] - [ -0.0219645100000000, -0.0029244700000000, -0.0002087400000000 ] - [ -0.0001162700000000, 0.0026599600000000, -0.0000408300000000 ] - [ -0.0019313700000000, -0.0019662100000000, -0.0039973300000000 ] - [ 0.0000434700000000, 0.0030284700000000, 0.0006649600000000 ] - [ -0.0071393500000000, -0.0047982400000000, -0.0112092600000000 ] - [ -0.0001321200000000, 0.0022555100000000, -0.0005980100000000 ] - [ -0.0001772800000000, 0.0002482700000000, -0.0000667700000000 ] - [ -0.0003577000000000, 0.0006404900000000, -0.0001899000000000 ] - [ 0.0002162500000000, 0.0006996600000000, -0.0004502400000000 ] - [ 0.0008871300000000, 0.0006945000000000, 0.0012489300000000 ] - [ -0.0003273200000000, 0.0008899000000000, -0.0006221900000000 ] - [ -0.0010138700000000, -0.0002140600000000, 0.0019203500000000 ] - [ 0.0000777300000000, 0.0001097700000000, -0.0001381000000000 ] - [ 0.0002244700000000, 0.0005964200000000, -0.0001214700000000 ] - [ 0.0003807500000000, -0.0010382900000000, -0.0003910400000000 ] - [ -0.0004894800000000, 0.0009571200000000, 0.0008874900000000 ] - [ 0.0071327800000000, 0.0014371700000000, -0.0020403100000000 ] - [ -0.0010833300000000, 0.0019564700000000, 0.0004790500000000 ] - [ 0.0004493100000000, 0.0016606400000000, -0.0002763200000000 ] - [ -0.0075902000000000, 0.0000610500000000, 0.0006837100000000 ] - [ -0.0000285800000000, -0.0004450200000000, 0.0027310000000000 ] - [ -0.0002987800000000, 0.0003412700000000, -0.0009902200000000 ] - [ -0.0006212500000000, 0.0016075500000000, -0.0002516000000000 ] - [ -0.0002271100000000, 0.0017128800000000, -0.0008869400000000 ] - [ -0.0001793900000000, -0.0009013700000000, -0.0002911100000000 ] - [ -0.0002345900000000, -0.0000683700000000, -0.0000917500000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003093400000000, -0.0076996100000000, 0.0018756200000000 ] - [ -0.0002175400000000, 0.0027978600000000, -0.0007199200000000 ] - [ -0.0011595700000000, 0.0017895000000000, -0.0015777600000000 ] - [ 0.0014774000000000, 0.0020292600000000, 0.0026478700000000 ] - [ 0.0000149100000000, 0.0004349600000000, 0.0004334800000000 ] - [ 0.0005445300000000, -0.0005406300000000, -0.0006189600000000 ] - [ -0.0001905000000000, -0.0020324300000000, 0.0004956900000000 ] - [ -0.0003207400000000, 0.0012895100000000, -0.0001479700000000 ] - [ 0.0016027700000000, 0.0009577400000000, 0.0005335900000000 ] - [ -0.0010402700000000, -0.0000324500000000, -0.0016686400000000 ] - [ 0.0004974100000000, -0.0017232800000000, -0.0017951300000000 ] - [ -0.0001938100000000, 0.0010363800000000, -0.0000343500000000 ] - [ -0.0010076400000000, -0.0042892100000000, 0.0003281600000000 ] - [ -0.0000438800000000, 0.0022067900000000, 0.0000739400000000 ] - [ 0.0001622900000000, 0.0000621500000000, -0.0007921600000000 ] - [ -0.0002667400000000, -0.0000800000000000, 0.0002426800000000 ] - [ -0.0009785400000000, -0.0045568800000000, -0.0001411500000000 ] - [ 0.0000316700000000, 0.0020612500000000, 0.0001745500000000 ] - [ 0.0001187300000000, 0.0002582000000000, 0.0005837300000000 ] - [ 0.0003281000000000, -0.0001842000000000, 0.0001196900000000 ] - [ 0.0011544100000000, 0.0123481100000000, -0.0024550900000000 ] - [ -0.0030411600000000, 0.0031478900000000, 0.0004868400000000 ] - [ -0.0001750900000000, -0.0003675200000000, 0.0002816300000000 ] - [ -0.0000692500000000, 0.0004620400000000, 0.0003943700000000 ] - [ -0.0011335100000000, 0.0028623200000000, 0.0010944500000000 ] - [ 0.0027623400000000, 0.0014933300000000, -0.0026668800000000 ] - [ 0.0000975200000000, 0.0002139400000000, -0.0004435200000000 ] - [ 0.0004165200000000, -0.0003872000000000, 0.0000347700000000 ] - [ -0.0001512900000000, -0.0006793700000000, 0.0001739300000000 ] - [ -0.0003074200000000, 0.0007702800000000, 0.0003709500000000 ] - [ -0.0036400500000000, -0.0101413900000000, -0.0018204100000000 ] - [ -0.0004140500000000, 0.0026218300000000, -0.0000525400000000 ] - [ -0.0001280400000000, 0.0001978500000000, 0.0010965100000000 ] - [ -0.0003039400000000, -0.0004131100000000, 0.0001795900000000 ] - [ -0.0017409200000000, 0.0038561000000000, 0.0033635700000000 ] - [ -0.0029383300000000, 0.0012352500000000, -0.0052078500000000 ] - [ -0.0006031200000000, -0.0015254400000000, -0.0011622800000000 ] - [ 0.0001756100000000, 0.0013884200000000, -0.0001844500000000 ] - [ 0.0010293300000000, 0.0030258000000000, -0.0006061600000000 ] - [ -0.0013183800000000, 0.0019420000000000, 0.0026705900000000 ] - [ 0.0001095700000000, -0.0000834300000000, 0.0007551800000000 ] - [ 0.0003896200000000, 0.0010153900000000, 0.0009632700000000 ] - [ 0.0003374100000000, -0.0005412700000000, -0.0027233700000000 ] - [ -0.0003434600000000, 0.0011119800000000, 0.0027816500000000 ] - [ -0.0000405500000000, -0.0019122300000000, -0.0001126400000000 ] - [ -0.0000289600000000, 0.0012955200000000, -0.0006262600000000 ] - [ 0.0070358600000000, -0.0423036100000000, 0.0046841000000000 ] - [ 0.0003118100000000, 0.0035493100000000, 0.0006853600000000 ] - [ 0.0002920400000000, 0.0004444300000000, 0.0000652500000000 ] - [ 0.0001396700000000, -0.0004609400000000, -0.0000587200000000 ] - [ -0.0042599200000000, -0.0053592600000000, -0.0072864600000000 ] - [ 0.0016466700000000, -0.0016165000000000, 0.0021422900000000 ] - [ -0.0001209600000000, 0.0002894500000000, -0.0001406400000000 ] - [ -0.0002942000000000, -0.0004937000000000, -0.0002047100000000 ] - [ 0.0005879200000000, 0.0006126700000000, -0.0007266700000000 ] - [ 0.0006808700000000, -0.0004780300000000, -0.0004761000000000 ] - [ 0.0004551000000000, 0.0005139200000000, -0.0011260100000000 ] - [ -0.0007594500000000, -0.0008338100000000, 0.0004590900000000 ] - [ 0.0009916900000000, 0.0013580400000000, 0.0000467700000000 ] - [ 0.0003837700000000, -0.0011493900000000, -0.0008759600000000 ] - [ -0.0002565200000000, 0.0023312300000000, 0.0005726700000000 ] - [ 0.0004641800000000, -0.0008027700000000, -0.0001417300000000 ] - [ -0.0002172500000000, -0.0010836100000000, 0.0032240400000000 ] - [ 0.0015454200000000, -0.0007690000000000, -0.0061036100000000 ] - [ -0.0000723100000000, -0.0003023800000000, 0.0007443500000000 ] - [ 0.0007858700000000, 0.0006092000000000, -0.0010948500000000 ] - [ 0.0002062300000000, 0.0011517500000000, 0.0000676000000000 ] - [ 0.0006355400000000, -0.0015131100000000, 0.0005322300000000 ] - [ -0.0000462000000000, -0.0008805800000000, 0.0001957200000000 ] - [ -0.0001410000000000, 0.0012756100000000, -0.0003637300000000 ] - [ 0.0007872900000000, -0.0001776900000000, 0.0008040600000000 ] - [ 0.0000355000000000, -0.0009274600000000, -0.0002708500000000 ] - [ -0.0005057500000000, -0.0005871200000000, -0.0004548300000000 ] - [ -0.0003323000000000, -0.0001701200000000, -0.0003436000000000 ] - [ 0.0004739600000000, -0.0033072400000000, 0.0002079300000000 ] - [ -0.0224475800000000, -0.0044656200000000, -0.0078728800000000 ] - [ -0.0008071000000000, 0.0000430500000000, -0.0002462400000000 ] - [ -0.0003588200000000, -0.0000260600000000, 0.0011337800000000 ] - [ -0.0003648400000000, 0.0005591100000000, -0.0011066200000000 ] - [ -0.0002514700000000, -0.0009694200000000, -0.0009848500000000 ] - [ -0.0042427600000000, 0.0551089800000000, -0.0007707500000000 ] - [ -0.0001884300000000, -0.0040382500000000, -0.0001258900000000 ] - [ 0.0006766100000000, 0.0010033800000000, 0.0004823200000000 ] - [ 0.0004364100000000, -0.0001781900000000, 0.0003202100000000 ] - [ 0.0011077900000000, -0.0027735900000000, -0.0017285100000000 ] - [ -0.0012489900000000, -0.0040578300000000, 0.0059833100000000 ] - [ 0.0214963700000000, 0.0032888200000000, -0.0001965800000000 ] - [ -0.0003593900000000, -0.0024117800000000, -0.0003462400000000 ] - [ 0.0016967000000000, 0.0025942500000000, 0.0042987900000000 ] - [ -0.0002886800000000, -0.0023672500000000, -0.0003842300000000 ] - [ 0.0066219800000000, 0.0054492300000000, 0.0095857100000000 ] - [ -0.0003342700000000, -0.0016702200000000, -0.0009777100000000 ] - [ -0.0002639200000000, 0.0006398100000000, -0.0002336400000000 ] - [ -0.0000808600000000, 0.0002480900000000, -0.0001124900000000 ] - [ 0.0004070700000000, 0.0003251600000000, 0.0008068000000000 ] - [ -0.0002660300000000, 0.0003199800000000, -0.0008876100000000 ] - [ -0.0008987700000000, -0.0009496600000000, 0.0017343000000000 ] - [ -0.0002087000000000, 0.0001449600000000, -0.0008090500000000 ] - [ 0.0001661900000000, 0.0005558200000000, -0.0001489600000000 ] - [ 0.0000199300000000, 0.0000626200000000, -0.0001663500000000 ] - [ -0.0006202900000000, 0.0003836200000000, 0.0006773500000000 ] - [ 0.0002452700000000, -0.0016178800000000, -0.0005962600000000 ] - [ -0.0068739700000000, -0.0014092300000000, 0.0020685500000000 ] - [ 0.0013564300000000, -0.0019432800000000, -0.0004558200000000 ] - [ -0.0009082000000000, -0.0025424000000000, -0.0000223000000000 ] - [ 0.0071220400000000, -0.0009722200000000, -0.0009870000000000 ] - [ 0.0005073500000000, -0.0001321400000000, -0.0011519900000000 ] - [ 0.0007737900000000, -0.0009311600000000, 0.0025689800000000 ] - [ -0.0003215600000000, -0.0008623800000000, -0.0005083000000000 ] - [ -0.0006978700000000, -0.0009891100000000, 0.0001303100000000 ] - [ -0.0004352800000000, -0.0001121800000000, -0.0000662100000000 ] - [ -0.0003823900000000, -0.0009483100000000, -0.0002657400000000 ]- atom: 81 displacement: [ -0.0004120271249244, 0.0000000000000000, 0.0099915080767783 ] forces: - [ 0.0056776600000000, 0.0002626200000000, -0.0052185300000000 ] - [ 0.0004759500000000, 0.0004562700000000, 0.0004144300000000 ] - [ -0.0028321700000000, 0.0033847100000000, 0.0011022700000000 ] - [ -0.0009133700000000, -0.0019361800000000, -0.0006996400000000 ] - [ 0.0003381600000000, -0.0004883500000000, -0.0009632300000000 ] - [ 0.0009003200000000, 0.0004784900000000, -0.0011181900000000 ] - [ -0.0018766800000000, -0.0012919000000000, -0.0030392900000000 ] - [ -0.0008182400000000, 0.0002401600000000, -0.0008602300000000 ] - [ -0.0015423600000000, -0.0008634800000000, 0.0006682200000000 ] - [ -0.0015630200000000, 0.0010294500000000, 0.0010425000000000 ] - [ 0.0003957300000000, -0.0012949200000000, -0.0069908100000000 ] - [ -0.0003691600000000, -0.0000428600000000, -0.0011092600000000 ] - [ 0.0057087600000000, -0.0004423100000000, -0.0025491100000000 ] - [ 0.0002195800000000, -0.0000052200000000, 0.0006310400000000 ] - [ 0.0000361300000000, 0.0003914900000000, -0.0013210100000000 ] - [ 0.0002311900000000, -0.0004333500000000, -0.0014010100000000 ] - [ -0.0007681700000000, 0.0005123100000000, 0.0030707200000000 ] - [ -0.0002120600000000, -0.0002125500000000, 0.0015424400000000 ] - [ 0.0003594900000000, -0.0001929300000000, -0.0018089400000000 ] - [ 0.0002690000000000, 0.0000478700000000, -0.0022049600000000 ] - [ 0.0008436900000000, 0.0010800600000000, 0.0076254200000000 ] - [ 0.0013823300000000, -0.0019494000000000, 0.0096563300000000 ] - [ -0.0002184400000000, -0.0001315000000000, -0.0015769300000000 ] - [ -0.0001642200000000, 0.0000628200000000, -0.0007787900000000 ] - [ 0.0010908800000000, -0.0004937800000000, 0.0014656400000000 ] - [ 0.0015383900000000, -0.0000572700000000, 0.0035901900000000 ] - [ 0.0000259800000000, 0.0003821500000000, -0.0017797600000000 ] - [ 0.0000084200000000, -0.0003331700000000, -0.0016723800000000 ] - [ -0.0000477900000000, 0.0001100500000000, -0.0016229300000000 ] - [ -0.0000499400000000, 0.0001229500000000, -0.0009979200000000 ] - [ 0.0121360000000000, 0.0022493100000000, 0.0164210400000000 ] - [ -0.0005618500000000, 0.0000505900000000, 0.0018880300000000 ] - [ -0.0003881400000000, -0.0003235400000000, -0.0012120600000000 ] - [ -0.0005836900000000, 0.0002199700000000, -0.0012111700000000 ] - [ 0.0020785400000000, -0.0030825700000000, -0.0037111000000000 ] - [ -0.0000777400000000, 0.0081227500000000, -0.0025949900000000 ] - [ -0.0020990000000000, -0.0003786000000000, -0.0019308000000000 ] - [ -0.0003258000000000, 0.0005028200000000, -0.0007295400000000 ] - [ 0.0001253600000000, 0.0017706700000000, 0.0020842500000000 ] - [ -0.0002151300000000, 0.0002174000000000, 0.0020323300000000 ] - [ 0.0004946400000000, -0.0006225200000000, -0.0030852600000000 ] - [ 0.0003397900000000, 0.0005483700000000, -0.0006915500000000 ] - [ 0.0009137700000000, 0.0017828100000000, -0.0023203800000000 ] - [ -0.0000248300000000, -0.0018869400000000, -0.0049321300000000 ] - [ 0.0001930700000000, 0.0001999800000000, -0.0012932900000000 ] - [ 0.0001850200000000, 0.0001517100000000, -0.0006917200000000 ] - [ 0.0751421800000000, -0.0038681400000000, 0.0802676500000000 ] - [ 0.0005580400000000, -0.0002112500000000, 0.0024539100000000 ] - [ 0.0004033400000000, -0.0002342600000000, 0.0015265600000000 ] - [ 0.0002045300000000, 0.0000305000000000, 0.0009025700000000 ] - [ 0.0045958600000000, 0.0075482200000000, 0.0041399200000000 ] - [ 0.0012272100000000, -0.0021950500000000, -0.0014355400000000 ] - [ -0.0004875200000000, -0.0001676900000000, 0.0021215000000000 ] - [ -0.0002898500000000, -0.0003592900000000, 0.0007932000000000 ] - [ 0.0006636200000000, -0.0000475800000000, 0.0004558700000000 ] - [ 0.0006704100000000, -0.0000051000000000, -0.0000630900000000 ] - [ -0.0010380400000000, 0.0005689100000000, -0.0001350600000000 ] - [ -0.0006448300000000, -0.0004313900000000, -0.0001908500000000 ] - [ 0.0019567900000000, 0.0000411500000000, -0.0011598600000000 ] - [ 0.0007709600000000, 0.0001152100000000, -0.0008827800000000 ] - [ -0.0007958300000000, -0.0001850900000000, -0.0007816200000000 ] - [ 0.0001205800000000, 0.0006503000000000, -0.0002938000000000 ] - [ -0.0004036600000000, -0.0009447800000000, 0.0004061200000000 ] - [ -0.0013638900000000, 0.0058978700000000, 0.0059169100000000 ] - [ -0.0001417300000000, -0.0003967900000000, 0.0011269700000000 ] - [ -0.0003393700000000, 0.0001257500000000, 0.0021680100000000 ] - [ 0.0019804800000000, -0.0002292500000000, -0.0001589800000000 ] - [ 0.0007310000000000, -0.0004562600000000, -0.0001369700000000 ] - [ 0.0001195100000000, -0.0006284700000000, 0.0005581900000000 ] - [ 0.0007198400000000, 0.0007738000000000, 0.0010488300000000 ] - [ 0.0015027200000000, -0.0008867400000000, 0.0021081700000000 ] - [ 0.0003629900000000, -0.0002986000000000, 0.0007202000000000 ] - [ -0.0001433900000000, -0.0004399300000000, 0.0007257900000000 ] - [ -0.0001402400000000, -0.0003374300000000, 0.0007296400000000 ] - [ -0.0000420700000000, -0.0009007500000000, -0.0015989400000000 ] - [ 0.0097430000000000, 0.0049585600000000, -0.0060525700000000 ] - [ -0.0001722100000000, 0.0005186400000000, 0.0017334300000000 ] - [ -0.0001619400000000, -0.0002693100000000, 0.0014905800000000 ] - [ -0.0009845000000000, -0.0009309900000000, 0.0041363000000000 ] - [ -0.0004989400000000, -0.0001696200000000, 0.0001441000000000 ] - [ -0.1234309600000000, 0.0012462500000000, -0.1166487200000000 ] - [ -0.0007070400000000, 0.0004552100000000, -0.0015105500000000 ] - [ 0.0007442100000000, 0.0005278600000000, 0.0014481800000000 ] - [ 0.0005484500000000, 0.0003060200000000, 0.0009047500000000 ] - [ -0.0007869600000000, 0.0014201800000000, -0.0002486100000000 ] - [ -0.0018899900000000, -0.0063723900000000, 0.0012064600000000 ] - [ -0.0057784400000000, 0.0020156000000000, -0.0100871800000000 ] - [ -0.0004214200000000, 0.0002156400000000, -0.0016504200000000 ] - [ 0.0047505400000000, -0.0056473800000000, 0.0105645300000000 ] - [ -0.0001411500000000, 0.0020357100000000, 0.0004008400000000 ] - [ 0.0193309600000000, -0.0082795300000000, 0.0168898000000000 ] - [ -0.0001552000000000, 0.0009209500000000, -0.0014646000000000 ] - [ -0.0002000200000000, 0.0003867800000000, 0.0012390300000000 ] - [ -0.0002280900000000, 0.0002560000000000, 0.0009661300000000 ] - [ 0.0000703800000000, -0.0005403400000000, 0.0017719900000000 ] - [ 0.0008116000000000, 0.0011314000000000, 0.0018012700000000 ] - [ -0.0003804300000000, -0.0004196000000000, 0.0000689900000000 ] - [ -0.0008118600000000, 0.0004529500000000, -0.0002476500000000 ] - [ -0.0000814200000000, 0.0006599300000000, 0.0011767100000000 ] - [ 0.0000518400000000, 0.0001890600000000, 0.0008300700000000 ] - [ -0.0010529500000000, -0.0012227400000000, 0.0016782000000000 ] - [ -0.0006303700000000, 0.0009140700000000, 0.0012544200000000 ] - [ -0.0030514900000000, -0.0023451000000000, -0.0027148900000000 ] - [ 0.0002105400000000, 0.0002397000000000, -0.0009949200000000 ] - [ 0.0000370200000000, -0.0007627600000000, -0.0016206400000000 ] - [ 0.0000073300000000, -0.0007724700000000, -0.0040535100000000 ] - [ -0.0000951100000000, 0.0005884200000000, 0.0029566200000000 ] - [ 0.0002476300000000, -0.0021002600000000, 0.0029101800000000 ] - [ -0.0011975700000000, 0.0001334000000000, -0.0019175800000000 ] - [ 0.0003725900000000, 0.0007964300000000, -0.0016009700000000 ] - [ -0.0000928300000000, -0.0003889100000000, 0.0019177300000000 ] - [ -0.0001909300000000, -0.0005896900000000, 0.0008720200000000 ]- atom: 81 displacement: [ 0.0004120271249244, 0.0000000000000000, -0.0099915080767783 ] forces: - [ -0.0058529900000000, -0.0002720600000000, 0.0042532800000000 ] - [ -0.0008135900000000, -0.0004249200000000, -0.0010505800000000 ] - [ 0.0031631700000000, -0.0032888300000000, -0.0011912200000000 ] - [ 0.0012586700000000, 0.0020450600000000, 0.0006093500000000 ] - [ -0.0000014200000000, 0.0003986200000000, 0.0008472400000000 ] - [ -0.0005691600000000, -0.0005805700000000, 0.0010032600000000 ] - [ 0.0015486000000000, 0.0012063700000000, 0.0031584500000000 ] - [ 0.0004823200000000, -0.0003376000000000, 0.0009694700000000 ] - [ 0.0016834000000000, 0.0009591800000000, -0.0013336300000000 ] - [ 0.0017093500000000, -0.0009372900000000, -0.0017127600000000 ] - [ -0.0007308000000000, 0.0012548100000000, 0.0063500600000000 ] - [ 0.0000310800000000, 0.0000095200000000, 0.0004845600000000 ] - [ -0.0060178700000000, 0.0005346900000000, 0.0026764300000000 ] - [ -0.0005580300000000, 0.0000999100000000, -0.0005121900000000 ] - [ 0.0001019400000000, -0.0004842600000000, 0.0006774700000000 ] - [ -0.0000911800000000, 0.0003372200000000, 0.0007554200000000 ] - [ 0.0006594900000000, -0.0005988000000000, -0.0024263900000000 ] - [ 0.0000753000000000, 0.0001202600000000, -0.0008970000000000 ] - [ -0.0000238800000000, 0.0002311200000000, 0.0024441400000000 ] - [ 0.0000677300000000, -0.0000156900000000, 0.0028438200000000 ] - [ -0.0005105800000000, -0.0011601500000000, -0.0069891500000000 ] - [ -0.0010602700000000, 0.0019423700000000, -0.0090309400000000 ] - [ 0.0000779600000000, 0.0002266500000000, 0.0022320000000000 ] - [ 0.0000249800000000, 0.0000324700000000, 0.0014330000000000 ] - [ -0.0006421500000000, 0.0006640800000000, -0.0019300700000000 ] - [ -0.0010884400000000, 0.0002676500000000, -0.0040619400000000 ] - [ 0.0004180100000000, -0.0005902300000000, 0.0013462500000000 ] - [ 0.0004353500000000, 0.0001230100000000, 0.0012410100000000 ] - [ -0.0003989200000000, 0.0001014700000000, 0.0020604200000000 ] - [ -0.0003970900000000, 0.0000848400000000, 0.0014343600000000 ] - [ -0.0131109300000000, -0.0025155800000000, -0.0160619600000000 ] - [ 0.0001202000000000, -0.0002525600000000, -0.0014641400000000 ] - [ 0.0001964600000000, 0.0000390400000000, 0.0023431800000000 ] - [ 0.0003944800000000, -0.0005116300000000, 0.0023417600000000 ] - [ -0.0024929700000000, 0.0038421000000000, 0.0020082700000000 ] - [ -0.0003452400000000, -0.0074183800000000, 0.0008909900000000 ] - [ 0.0022817400000000, 0.0006589100000000, 0.0008128600000000 ] - [ 0.0005175100000000, -0.0002123500000000, -0.0003886300000000 ] - [ -0.0003182000000000, -0.0015027800000000, -0.0009488900000000 ] - [ 0.0000193000000000, 0.0000834600000000, -0.0008793000000000 ] - [ -0.0000836900000000, 0.0013797700000000, 0.0048019500000000 ] - [ 0.0000741600000000, 0.0001937700000000, 0.0023878300000000 ] - [ -0.0013243000000000, -0.0025170900000000, 0.0006319700000000 ] - [ -0.0003916700000000, 0.0011393100000000, 0.0032350200000000 ] - [ -0.0000060200000000, -0.0004865900000000, 0.0001521600000000 ] - [ 0.0000069400000000, -0.0004398600000000, -0.0004425000000000 ] - [ -0.0721729900000000, 0.0029863800000000, -0.0781667700000000 ] - [ -0.0001444600000000, -0.0005327400000000, -0.0007557300000000 ] - [ -0.0001058900000000, 0.0002240000000000, -0.0015102500000000 ] - [ 0.0000961300000000, -0.0000447800000000, -0.0008830200000000 ] - [ -0.0041549800000000, -0.0078444600000000, -0.0037511600000000 ] - [ -0.0007470900000000, 0.0019572900000000, 0.0018410000000000 ] - [ 0.0000095300000000, -0.0000788200000000, -0.0025185800000000 ] - [ -0.0001925300000000, 0.0001103000000000, -0.0011861800000000 ] - [ 0.0005537300000000, 0.0001122300000000, -0.0015658600000000 ] - [ 0.0005465900000000, 0.0000710800000000, -0.0010498500000000 ] - [ 0.0007459900000000, -0.0005895900000000, 0.0001291200000000 ] - [ 0.0003451100000000, 0.0004206400000000, 0.0001753600000000 ] - [ -0.0007363900000000, -0.0001033300000000, 0.0000279600000000 ] - [ 0.0004448000000000, -0.0001854000000000, -0.0002378700000000 ] - [ 0.0012368000000000, 0.0010815600000000, 0.0010996300000000 ] - [ 0.0003098300000000, 0.0002443600000000, 0.0006017700000000 ] - [ 0.0008816300000000, 0.0015256400000000, 0.0011767800000000 ] - [ 0.0018301900000000, -0.0052557100000000, -0.0042904400000000 ] - [ 0.0006234600000000, 0.0006435700000000, -0.0007410500000000 ] - [ 0.0008198000000000, 0.0001239700000000, -0.0017802800000000 ] - [ -0.0010531500000000, -0.0005073900000000, 0.0009317700000000 ] - [ 0.0002000500000000, -0.0002795200000000, 0.0009040600000000 ] - [ -0.0004206400000000, 0.0006391200000000, -0.0005823900000000 ] - [ -0.0010188500000000, -0.0007532600000000, -0.0010782300000000 ] - [ -0.0010641000000000, -0.0000076600000000, -0.0018072700000000 ] - [ 0.0000681400000000, -0.0005948700000000, -0.0004267900000000 ] - [ -0.0007853700000000, -0.0002977600000000, -0.0014874900000000 ] - [ -0.0007912800000000, -0.0003976500000000, -0.0014940700000000 ] - [ 0.0002843900000000, 0.0002451200000000, 0.0013111400000000 ] - [ -0.0095600900000000, -0.0056621700000000, 0.0056596200000000 ] - [ -0.0010466300000000, -0.0004556900000000, -0.0006188200000000 ] - [ -0.0010588900000000, 0.0003384700000000, -0.0003728400000000 ] - [ 0.0005076600000000, 0.0003579600000000, -0.0057737000000000 ] - [ 0.0000191400000000, -0.0004143100000000, -0.0017351000000000 ] - [ 0.1206243000000000, 0.0000394200000000, 0.1163139300000000 ] - [ 0.0000794500000000, 0.0005627000000000, 0.0011572300000000 ] - [ 0.0001820700000000, 0.0002095900000000, -0.0006948400000000 ] - [ 0.0003801000000000, 0.0004296900000000, -0.0001488200000000 ] - [ 0.0014198900000000, -0.0024489200000000, 0.0006204400000000 ] - [ 0.0025354500000000, 0.0054029300000000, -0.0008444200000000 ] - [ 0.0050937100000000, -0.0016890600000000, 0.0097077000000000 ] - [ -0.0000621900000000, 0.0000265100000000, 0.0012678100000000 ] - [ -0.0050716600000000, 0.0063753600000000, -0.0104142800000000 ] - [ -0.0001013700000000, -0.0013791800000000, -0.0001152400000000 ] - [ -0.0195258500000000, 0.0087126000000000, -0.0182372600000000 ] - [ -0.0003225300000000, -0.0003384600000000, -0.0001384700000000 ] - [ -0.0002334700000000, 0.0005045400000000, -0.0015422200000000 ] - [ -0.0002028200000000, 0.0006407500000000, -0.0012706700000000 ] - [ 0.0005545200000000, 0.0015544300000000, -0.0014141800000000 ] - [ -0.0001814200000000, -0.0001096600000000, -0.0014449300000000 ] - [ -0.0008357700000000, 0.0003584400000000, 0.0010355100000000 ] - [ -0.0004076200000000, -0.0005164100000000, 0.0013467500000000 ] - [ 0.0003264900000000, -0.0000032200000000, -0.0014631400000000 ] - [ 0.0001913000000000, 0.0004748100000000, -0.0011155700000000 ] - [ 0.0008061900000000, 0.0005567000000000, -0.0013960800000000 ] - [ 0.0003850100000000, -0.0015692700000000, -0.0009721400000000 ] - [ 0.0033768900000000, 0.0023793600000000, 0.0027117200000000 ] - [ 0.0000920200000000, -0.0002323800000000, 0.0010137200000000 ] - [ -0.0004710000000000, -0.0001252000000000, 0.0013232600000000 ] - [ -0.0004009700000000, -0.0001491200000000, 0.0037548500000000 ] - [ 0.0005720500000000, -0.0011831200000000, -0.0013614100000000 ] - [ 0.0002336000000000, 0.0015256900000000, -0.0013176500000000 ] - [ 0.0002538600000000, 0.0006171500000000, 0.0011579000000000 ] - [ -0.0013023100000000, -0.0000710400000000, 0.0008478400000000 ] - [ -0.0005390700000000, -0.0006321000000000, -0.0022825500000000 ] - [ -0.0004372500000000, -0.0004285500000000, -0.0012339000000000 ]