# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/ce325bae-5525-4a16-8999-42de2300d3ed/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 Bi(BO2)3 / P2_1/c (14) / materials id 557351](https://mdr.nims.go.jp/datasets/213ba0c0-516d-4019-aa8e-3e109bc44615) ## 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:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 4.255346470000000, 0.000000000000000, -0.004943470000000 ] # a - [ 0.000000000000000, 11.717422200000000, 0.000000000000000 ] # b - [ -0.141140890000000, 0.000000000000000, 7.236321380000000 ] # c points: - symbol: Bi # 1 coordinates: [ 0.829552280000000, 0.385063300000000, 0.628342430000000 ] mass: 208.980400 - symbol: Bi # 2 coordinates: [ 0.170447720000000, 0.885063300000000, 0.871657570000000 ] mass: 208.980400 - symbol: Bi # 3 coordinates: [ 0.829552280000000, 0.114936700000000, 0.128342430000000 ] mass: 208.980400 - symbol: Bi # 4 coordinates: [ 0.170447720000000, 0.614936700000000, 0.371657570000000 ] mass: 208.980400 - symbol: B # 5 coordinates: [ 0.195886640000000, 0.906791450000000, 0.369697920000000 ] mass: 10.811000 - symbol: B # 6 coordinates: [ 0.679438410000000, 0.837382530000000, 0.207460710000000 ] mass: 10.811000 - symbol: B # 7 coordinates: [ 0.689199930000000, 0.875644670000000, 0.568472220000000 ] mass: 10.811000 - symbol: B # 8 coordinates: [ 0.679438410000000, 0.662617470000000, 0.707460710000000 ] mass: 10.811000 - symbol: B # 9 coordinates: [ 0.195886640000000, 0.593208550000000, 0.869697920000000 ] mass: 10.811000 - symbol: B # 10 coordinates: [ 0.310800070000000, 0.375644670000000, 0.931527780000000 ] mass: 10.811000 - symbol: B # 11 coordinates: [ 0.320561590000000, 0.337382530000000, 0.292539290000000 ] mass: 10.811000 - symbol: B # 12 coordinates: [ 0.310800070000000, 0.124355330000000, 0.431527780000000 ] mass: 10.811000 - symbol: B # 13 coordinates: [ 0.804113360000000, 0.093208550000000, 0.630302080000000 ] mass: 10.811000 - symbol: B # 14 coordinates: [ 0.804113360000000, 0.406791450000000, 0.130302080000000 ] mass: 10.811000 - symbol: B # 15 coordinates: [ 0.689199930000000, 0.624355330000000, 0.068472220000000 ] mass: 10.811000 - symbol: B # 16 coordinates: [ 0.320561590000000, 0.162617470000000, 0.792539290000000 ] mass: 10.811000 - symbol: O # 17 coordinates: [ 0.660337650000000, 0.161181590000000, 0.772724860000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.646789020000000, 0.116176930000000, 0.455723850000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.764080270000000, 0.581183310000000, 0.559799180000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.764080270000000, 0.918816690000000, 0.059799180000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.210821850000000, 0.220933000000000, 0.319669940000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.353210980000000, 0.616176930000000, 0.044276150000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.646789020000000, 0.383823070000000, 0.955723850000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.660337650000000, 0.338818410000000, 0.272724860000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.235919730000000, 0.418816690000000, 0.440200820000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.805987040000000, 0.528264770000000, 0.181380660000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.339662350000000, 0.838818410000000, 0.227275140000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.848834400000000, 0.626060790000000, 0.884437350000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.353210980000000, 0.883823070000000, 0.544276150000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.194012960000000, 0.471735230000000, 0.818619340000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.194012960000000, 0.028264770000000, 0.318619340000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.235919730000000, 0.081183310000000, 0.940200820000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.789178150000000, 0.720933000000000, 0.180330060000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.151165600000000, 0.126060790000000, 0.615562650000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.805987040000000, 0.971735230000000, 0.681380660000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.210821850000000, 0.279067000000000, 0.819669940000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.339662350000000, 0.661181590000000, 0.727275140000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.789178150000000, 0.779067000000000, 0.680330060000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.848834400000000, 0.873939210000000, 0.384437350000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.151165600000000, 0.373939210000000, 0.115562650000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.235003816048030, 0.000000000000000, 0.004583633867076 ] # a* - [ 0.000000000000000, 0.085343003173514, 0.000000000000000 ] # b* - [ 0.000160542111594, 0.000000000000000, 0.138194893032309 ] # c*unit_cell: lattice: - [ 4.255346470000000, 0.000000000000000, -0.004943470000000 ] # a - [ 0.000000000000000, 11.717422200000000, 0.000000000000000 ] # b - [ -0.141140890000000, 0.000000000000000, 7.236321380000000 ] # c points: - symbol: Bi # 1 coordinates: [ 0.829552280000000, 0.385063300000000, 0.628342430000000 ] mass: 208.980400 reduced_to: 1 - symbol: Bi # 2 coordinates: [ 0.170447720000000, 0.885063300000000, 0.871657570000000 ] mass: 208.980400 reduced_to: 2 - symbol: Bi # 3 coordinates: [ 0.829552280000000, 0.114936700000000, 0.128342430000000 ] mass: 208.980400 reduced_to: 3 - symbol: Bi # 4 coordinates: [ 0.170447720000000, 0.614936700000000, 0.371657570000000 ] mass: 208.980400 reduced_to: 4 - symbol: B # 5 coordinates: [ 0.195886640000000, 0.906791450000000, 0.369697920000000 ] mass: 10.811000 reduced_to: 5 - symbol: B # 6 coordinates: [ 0.679438410000000, 0.837382530000000, 0.207460710000000 ] mass: 10.811000 reduced_to: 6 - symbol: B # 7 coordinates: [ 0.689199930000000, 0.875644670000000, 0.568472220000000 ] mass: 10.811000 reduced_to: 7 - symbol: B # 8 coordinates: [ 0.679438410000000, 0.662617470000000, 0.707460710000000 ] mass: 10.811000 reduced_to: 8 - symbol: B # 9 coordinates: [ 0.195886640000000, 0.593208550000000, 0.869697920000000 ] mass: 10.811000 reduced_to: 9 - symbol: B # 10 coordinates: [ 0.310800070000000, 0.375644670000000, 0.931527780000000 ] mass: 10.811000 reduced_to: 10 - symbol: B # 11 coordinates: [ 0.320561590000000, 0.337382530000000, 0.292539290000000 ] mass: 10.811000 reduced_to: 11 - symbol: B # 12 coordinates: [ 0.310800070000000, 0.124355330000000, 0.431527780000000 ] mass: 10.811000 reduced_to: 12 - symbol: B # 13 coordinates: [ 0.804113360000000, 0.093208550000000, 0.630302080000000 ] mass: 10.811000 reduced_to: 13 - symbol: B # 14 coordinates: [ 0.804113360000000, 0.406791450000000, 0.130302080000000 ] mass: 10.811000 reduced_to: 14 - symbol: B # 15 coordinates: [ 0.689199930000000, 0.624355330000000, 0.068472220000000 ] mass: 10.811000 reduced_to: 15 - symbol: B # 16 coordinates: [ 0.320561590000000, 0.162617470000000, 0.792539290000000 ] mass: 10.811000 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.660337650000000, 0.161181590000000, 0.772724860000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.646789020000000, 0.116176930000000, 0.455723850000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.764080270000000, 0.581183310000000, 0.559799180000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.764080270000000, 0.918816690000000, 0.059799180000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.210821850000000, 0.220933000000000, 0.319669940000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.353210980000000, 0.616176930000000, 0.044276150000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.646789020000000, 0.383823070000000, 0.955723850000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.660337650000000, 0.338818410000000, 0.272724860000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.235919730000000, 0.418816690000000, 0.440200820000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.805987040000000, 0.528264770000000, 0.181380660000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.339662350000000, 0.838818410000000, 0.227275140000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.848834400000000, 0.626060790000000, 0.884437350000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.353210980000000, 0.883823070000000, 0.544276150000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.194012960000000, 0.471735230000000, 0.818619340000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.194012960000000, 0.028264770000000, 0.318619340000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.235919730000000, 0.081183310000000, 0.940200820000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.789178150000000, 0.720933000000000, 0.180330060000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.151165600000000, 0.126060790000000, 0.615562650000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.805987040000000, 0.971735230000000, 0.681380660000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.210821850000000, 0.279067000000000, 0.819669940000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.339662350000000, 0.661181590000000, 0.727275140000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.789178150000000, 0.779067000000000, 0.680330060000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.848834400000000, 0.873939210000000, 0.384437350000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.151165600000000, 0.373939210000000, 0.115562650000000 ] mass: 15.999400 reduced_to: 40supercell: lattice: - [ 8.510692940000000, 0.000000000000000, -0.009886940000000 ] # a - [ 0.000000000000000, 11.717422200000000, 0.000000000000000 ] # b - [ -0.141140890000000, 0.000000000000000, 7.236321380000000 ] # c points: - symbol: Bi # 1 coordinates: [ 0.414776140000000, 0.385063300000000, 0.628342430000000 ] mass: 208.980400 reduced_to: 1 - symbol: Bi # 2 coordinates: [ 0.914776140000000, 0.385063300000000, 0.628342430000000 ] mass: 208.980400 reduced_to: 1 - symbol: Bi # 3 coordinates: [ 0.085223860000000, 0.885063300000000, 0.871657570000000 ] mass: 208.980400 reduced_to: 3 - symbol: Bi # 4 coordinates: [ 0.585223860000000, 0.885063300000000, 0.871657570000000 ] mass: 208.980400 reduced_to: 3 - symbol: Bi # 5 coordinates: [ 0.414776140000000, 0.114936700000000, 0.128342430000000 ] mass: 208.980400 reduced_to: 5 - symbol: Bi # 6 coordinates: [ 0.914776140000000, 0.114936700000000, 0.128342430000000 ] mass: 208.980400 reduced_to: 5 - symbol: Bi # 7 coordinates: [ 0.085223860000000, 0.614936700000000, 0.371657570000000 ] mass: 208.980400 reduced_to: 7 - symbol: Bi # 8 coordinates: [ 0.585223860000000, 0.614936700000000, 0.371657570000000 ] mass: 208.980400 reduced_to: 7 - symbol: B # 9 coordinates: [ 0.097943320000000, 0.906791450000000, 0.369697920000000 ] mass: 10.811000 reduced_to: 9 - symbol: B # 10 coordinates: [ 0.597943320000000, 0.906791450000000, 0.369697920000000 ] mass: 10.811000 reduced_to: 9 - symbol: B # 11 coordinates: [ 0.339719205000000, 0.837382530000000, 0.207460710000000 ] mass: 10.811000 reduced_to: 11 - symbol: B # 12 coordinates: [ 0.839719205000000, 0.837382530000000, 0.207460710000000 ] mass: 10.811000 reduced_to: 11 - symbol: B # 13 coordinates: [ 0.344599965000000, 0.875644670000000, 0.568472220000000 ] mass: 10.811000 reduced_to: 13 - symbol: B # 14 coordinates: [ 0.844599965000000, 0.875644670000000, 0.568472220000000 ] mass: 10.811000 reduced_to: 13 - symbol: B # 15 coordinates: [ 0.339719205000000, 0.662617470000000, 0.707460710000000 ] mass: 10.811000 reduced_to: 15 - symbol: B # 16 coordinates: [ 0.839719205000000, 0.662617470000000, 0.707460710000000 ] mass: 10.811000 reduced_to: 15 - symbol: B # 17 coordinates: [ 0.097943320000000, 0.593208550000000, 0.869697920000000 ] mass: 10.811000 reduced_to: 17 - symbol: B # 18 coordinates: [ 0.597943320000000, 0.593208550000000, 0.869697920000000 ] mass: 10.811000 reduced_to: 17 - symbol: B # 19 coordinates: [ 0.155400035000000, 0.375644670000000, 0.931527780000000 ] mass: 10.811000 reduced_to: 19 - symbol: B # 20 coordinates: [ 0.655400035000000, 0.375644670000000, 0.931527780000000 ] mass: 10.811000 reduced_to: 19 - symbol: B # 21 coordinates: [ 0.160280795000000, 0.337382530000000, 0.292539290000000 ] mass: 10.811000 reduced_to: 21 - symbol: B # 22 coordinates: [ 0.660280795000000, 0.337382530000000, 0.292539290000000 ] mass: 10.811000 reduced_to: 21 - symbol: B # 23 coordinates: [ 0.155400035000000, 0.124355330000000, 0.431527780000000 ] mass: 10.811000 reduced_to: 23 - symbol: B # 24 coordinates: [ 0.655400035000000, 0.124355330000000, 0.431527780000000 ] mass: 10.811000 reduced_to: 23 - symbol: B # 25 coordinates: [ 0.402056680000000, 0.093208550000000, 0.630302080000000 ] mass: 10.811000 reduced_to: 25 - symbol: B # 26 coordinates: [ 0.902056680000000, 0.093208550000000, 0.630302080000000 ] mass: 10.811000 reduced_to: 25 - symbol: B # 27 coordinates: [ 0.402056680000000, 0.406791450000000, 0.130302080000000 ] mass: 10.811000 reduced_to: 27 - symbol: B # 28 coordinates: [ 0.902056680000000, 0.406791450000000, 0.130302080000000 ] mass: 10.811000 reduced_to: 27 - symbol: B # 29 coordinates: [ 0.344599965000000, 0.624355330000000, 0.068472220000000 ] mass: 10.811000 reduced_to: 29 - symbol: B # 30 coordinates: [ 0.844599965000000, 0.624355330000000, 0.068472220000000 ] mass: 10.811000 reduced_to: 29 - symbol: B # 31 coordinates: [ 0.160280795000000, 0.162617470000000, 0.792539290000000 ] mass: 10.811000 reduced_to: 31 - symbol: B # 32 coordinates: [ 0.660280795000000, 0.162617470000000, 0.792539290000000 ] mass: 10.811000 reduced_to: 31 - symbol: O # 33 coordinates: [ 0.330168825000000, 0.161181590000000, 0.772724860000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.830168825000000, 0.161181590000000, 0.772724860000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.323394510000000, 0.116176930000000, 0.455723850000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.823394510000000, 0.116176930000000, 0.455723850000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 37 coordinates: [ 0.382040135000000, 0.581183310000000, 0.559799180000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.882040135000000, 0.581183310000000, 0.559799180000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.382040135000000, 0.918816690000000, 0.059799180000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.882040135000000, 0.918816690000000, 0.059799180000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 41 coordinates: [ 0.105410925000000, 0.220933000000000, 0.319669940000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.605410925000000, 0.220933000000000, 0.319669940000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.176605490000000, 0.616176930000000, 0.044276150000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.676605490000000, 0.616176930000000, 0.044276150000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.323394510000000, 0.383823070000000, 0.955723850000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.823394510000000, 0.383823070000000, 0.955723850000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.330168825000000, 0.338818410000000, 0.272724860000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.830168825000000, 0.338818410000000, 0.272724860000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 49 coordinates: [ 0.117959865000000, 0.418816690000000, 0.440200820000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.617959865000000, 0.418816690000000, 0.440200820000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.402993520000000, 0.528264770000000, 0.181380660000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.902993520000000, 0.528264770000000, 0.181380660000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 53 coordinates: [ 0.169831175000000, 0.838818410000000, 0.227275140000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.669831175000000, 0.838818410000000, 0.227275140000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.424417200000000, 0.626060790000000, 0.884437350000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.924417200000000, 0.626060790000000, 0.884437350000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.176605490000000, 0.883823070000000, 0.544276150000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.676605490000000, 0.883823070000000, 0.544276150000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.097006480000000, 0.471735230000000, 0.818619340000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.597006480000000, 0.471735230000000, 0.818619340000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 61 coordinates: [ 0.097006480000000, 0.028264770000000, 0.318619340000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.597006480000000, 0.028264770000000, 0.318619340000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.117959865000000, 0.081183310000000, 0.940200820000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.617959865000000, 0.081183310000000, 0.940200820000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 65 coordinates: [ 0.394589075000000, 0.720933000000000, 0.180330060000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.894589075000000, 0.720933000000000, 0.180330060000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.075582800000000, 0.126060790000000, 0.615562650000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.575582800000000, 0.126060790000000, 0.615562650000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.402993520000000, 0.971735230000000, 0.681380660000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.902993520000000, 0.971735230000000, 0.681380660000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.105410925000000, 0.279067000000000, 0.819669940000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.605410925000000, 0.279067000000000, 0.819669940000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 73 coordinates: [ 0.169831175000000, 0.661181590000000, 0.727275140000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.669831175000000, 0.661181590000000, 0.727275140000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.394589075000000, 0.779067000000000, 0.680330060000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.894589075000000, 0.779067000000000, 0.680330060000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 77 coordinates: [ 0.424417200000000, 0.873939210000000, 0.384437350000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.924417200000000, 0.873939210000000, 0.384437350000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.075582800000000, 0.373939210000000, 0.115562650000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.575582800000000, 0.373939210000000, 0.115562650000000 ] mass: 15.999400 reduced_to: 79displacements:- atom: 1 displacement: [ 0.0099999932521795, 0.0000000000000000, -0.0000116170720741 ] forces: - [ -0.1227138800000000, -0.0285288400000000, 0.0000122600000000 ] - [ 0.0375866100000000, 0.0017312100000000, -0.0009248600000000 ] - [ 0.0014199700000000, 0.0004315000000000, 0.0002401100000000 ] - [ -0.0018051500000000, -0.0002368100000000, -0.0009936600000000 ] - [ -0.0095617900000000, 0.0010368000000000, -0.0004489600000000 ] - [ 0.0062480100000000, 0.0005399200000000, 0.0007191700000000 ] - [ 0.0057928900000000, -0.0111455600000000, 0.0046262300000000 ] - [ -0.0070735800000000, 0.0207620700000000, -0.0067902800000000 ] - [ 0.0003359900000000, 0.0006407600000000, 0.0001449900000000 ] - [ -0.0010323400000000, 0.0000871500000000, 0.0006688700000000 ] - [ -0.0012088400000000, 0.0010816300000000, 0.0005967200000000 ] - [ 0.0019109800000000, -0.0003931400000000, -0.0002952300000000 ] - [ -0.0005531200000000, 0.0000102800000000, 0.0010196900000000 ] - [ 0.0013026000000000, 0.0001284600000000, 0.0003263200000000 ] - [ -0.0016042600000000, -0.0035369900000000, -0.0043297900000000 ] - [ 0.0055874700000000, 0.0001912500000000, -0.0004207800000000 ] - [ 0.0017721700000000, -0.0099043800000000, -0.0029336800000000 ] - [ -0.0026872600000000, 0.0250997400000000, 0.0060049200000000 ] - [ 0.0122852200000000, 0.0011981100000000, -0.0133000900000000 ] - [ 0.0200918100000000, -0.0035329000000000, 0.0279215100000000 ] - [ 0.0051703900000000, 0.0073161100000000, 0.0108488500000000 ] - [ 0.0118791000000000, -0.0133743700000000, -0.0149510300000000 ] - [ 0.0006830100000000, 0.0043657200000000, 0.0002958000000000 ] - [ 0.0034425600000000, -0.0054405100000000, -0.0017509900000000 ] - [ -0.0096571000000000, 0.0023781200000000, 0.0020632900000000 ] - [ 0.0047056400000000, -0.0005329000000000, -0.0012947100000000 ] - [ -0.0230713800000000, -0.0082323600000000, -0.0052049600000000 ] - [ 0.0099517600000000, 0.0015052000000000, 0.0019127700000000 ] - [ -0.0032443800000000, -0.0019203400000000, 0.0008603800000000 ] - [ 0.0054300600000000, 0.0002789400000000, 0.0010554300000000 ] - [ 0.0026703700000000, 0.0106665700000000, -0.0022356200000000 ] - [ 0.0074248500000000, -0.0200920300000000, -0.0007888800000000 ] - [ 0.0047706300000000, -0.0058897200000000, 0.0010160200000000 ] - [ -0.0060769900000000, 0.0027483500000000, 0.0009308600000000 ] - [ 0.0019196400000000, -0.0030416000000000, -0.0010768400000000 ] - [ -0.0026873200000000, 0.0006468200000000, -0.0001473500000000 ] - [ 0.0115511700000000, 0.0029546800000000, -0.0020751900000000 ] - [ -0.0046182200000000, 0.0009306700000000, 0.0009858300000000 ] - [ 0.0005931800000000, -0.0002662400000000, -0.0004369000000000 ] - [ -0.0010477100000000, -0.0001906600000000, 0.0001098300000000 ] - [ -0.0026158500000000, -0.0049866700000000, -0.0017306100000000 ] - [ 0.0001085400000000, 0.0072289500000000, 0.0032788600000000 ] - [ 0.0023643800000000, 0.0016186800000000, 0.0018081100000000 ] - [ -0.0042065900000000, -0.0051425500000000, -0.0055963900000000 ] - [ 0.0097439000000000, 0.0031983000000000, 0.0046245300000000 ] - [ -0.0124109800000000, -0.0003885700000000, -0.0030655600000000 ] - [ 0.0078300600000000, 0.0002798900000000, -0.0037731500000000 ] - [ -0.0088625600000000, 0.0002888400000000, 0.0018483400000000 ] - [ -0.0122028200000000, 0.0025023300000000, -0.0016345900000000 ] - [ 0.0374800800000000, 0.0077210200000000, -0.0205379700000000 ] - [ 0.0053064400000000, 0.0020155400000000, 0.0025271700000000 ] - [ -0.0042455800000000, 0.0001888300000000, -0.0014060600000000 ] - [ 0.0003629600000000, 0.0002033800000000, -0.0005212500000000 ] - [ -0.0015095900000000, -0.0012123100000000, 0.0006274800000000 ] - [ 0.0064221600000000, -0.0027975100000000, 0.0004460100000000 ] - [ -0.0040328100000000, 0.0017932500000000, 0.0002982400000000 ] - [ 0.0003841300000000, 0.0001503000000000, 0.0004174400000000 ] - [ -0.0004054200000000, -0.0000850400000000, 0.0002257700000000 ] - [ -0.0091880700000000, 0.0040955100000000, 0.0023321800000000 ] - [ 0.0233519100000000, 0.0052411100000000, 0.0109273800000000 ] - [ -0.0007175300000000, -0.0017877700000000, -0.0009760700000000 ] - [ 0.0015592600000000, 0.0012128800000000, 0.0006972900000000 ] - [ -0.0013643400000000, -0.0030708400000000, 0.0023808600000000 ] - [ 0.0016342000000000, 0.0061731400000000, -0.0025783100000000 ] - [ 0.0030282300000000, -0.0007313600000000, 0.0015995900000000 ] - [ -0.0022794200000000, 0.0003800700000000, -0.0010200700000000 ] - [ -0.0025889100000000, -0.0021415100000000, -0.0005308200000000 ] - [ 0.0022432300000000, 0.0053240500000000, 0.0013677500000000 ] - [ 0.0018163400000000, -0.0007502500000000, 0.0001719000000000 ] - [ -0.0015129400000000, 0.0004845600000000, 0.0002028400000000 ] - [ -0.0076497900000000, -0.0044659500000000, 0.0009881500000000 ] - [ 0.0086566500000000, 0.0060934800000000, 0.0032924700000000 ] - [ 0.0008763700000000, 0.0027264200000000, -0.0001817100000000 ] - [ -0.0036352300000000, -0.0052877100000000, 0.0016320300000000 ] - [ 0.0014224800000000, 0.0022031700000000, 0.0017327100000000 ] - [ -0.0013524700000000, -0.0003734300000000, 0.0002069200000000 ] - [ 0.0009266400000000, -0.0001889300000000, -0.0003025100000000 ] - [ -0.0007709900000000, 0.0000588400000000, 0.0002015200000000 ] - [ -0.0060725600000000, 0.0000252100000000, -0.0002599600000000 ] - [ 0.0062237700000000, 0.0017319400000000, -0.0016805900000000 ]- atom: 1 displacement: [ -0.0099999932521795, 0.0000000000000000, 0.0000116170720741 ] forces: - [ 0.1191581900000000, 0.0276936400000000, -0.0000663600000000 ] - [ -0.0382251100000000, -0.0017541200000000, 0.0009783000000000 ] - [ -0.0009068100000000, -0.0004377300000000, -0.0002820400000000 ] - [ 0.0022784000000000, 0.0002209600000000, 0.0009452900000000 ] - [ 0.0090402900000000, -0.0009919400000000, 0.0004818400000000 ] - [ -0.0067635500000000, -0.0005532200000000, -0.0006785600000000 ] - [ -0.0052580400000000, 0.0112908900000000, -0.0047057400000000 ] - [ 0.0074344700000000, -0.0206931500000000, 0.0067531600000000 ] - [ -0.0008395400000000, -0.0004722600000000, 0.0004309100000000 ] - [ 0.0005166500000000, 0.0000819600000000, -0.0000962900000000 ] - [ 0.0015107900000000, -0.0011381700000000, -0.0003108400000000 ] - [ -0.0016379400000000, 0.0003512900000000, 0.0005843700000000 ] - [ 0.0007894300000000, 0.0000579600000000, -0.0003125300000000 ] - [ -0.0010963900000000, -0.0000416800000000, 0.0003596400000000 ] - [ 0.0019809200000000, 0.0035178300000000, 0.0045005200000000 ] - [ -0.0053285300000000, -0.0001153700000000, 0.0007199700000000 ] - [ -0.0022584200000000, 0.0098776000000000, 0.0035299700000000 ] - [ 0.0021684400000000, -0.0252526700000000, -0.0054172100000000 ] - [ -0.0123348600000000, -0.0011315000000000, 0.0128939000000000 ] - [ -0.0202742200000000, 0.0036005500000000, -0.0283948700000000 ] - [ -0.0052840900000000, -0.0074977000000000, -0.0113508800000000 ] - [ -0.0121059800000000, 0.0133165100000000, 0.0145512900000000 ] - [ -0.0008526600000000, -0.0044746700000000, -0.0009872600000000 ] - [ -0.0036825000000000, 0.0053375500000000, 0.0010633300000000 ] - [ 0.0101418000000000, -0.0024772300000000, -0.0026227900000000 ] - [ -0.0042035500000000, 0.0003492400000000, 0.0007211600000000 ] - [ 0.0234584100000000, 0.0083606400000000, 0.0046046500000000 ] - [ -0.0094500000000000, -0.0013372400000000, -0.0024795700000000 ] - [ 0.0035156000000000, 0.0018194200000000, -0.0001788100000000 ] - [ -0.0052505800000000, -0.0003531400000000, -0.0003567200000000 ] - [ -0.0028489700000000, -0.0107507900000000, 0.0019444500000000 ] - [ -0.0077109300000000, 0.0201270300000000, 0.0005447200000000 ] - [ -0.0038336100000000, 0.0061923200000000, -0.0010599300000000 ] - [ 0.0071192500000000, -0.0023939900000000, -0.0010161000000000 ] - [ -0.0021497500000000, 0.0027442800000000, 0.0003885400000000 ] - [ 0.0024960800000000, -0.0009189600000000, -0.0005272900000000 ] - [ -0.0119464500000000, -0.0031286800000000, 0.0016798800000000 ] - [ 0.0042789300000000, -0.0012234200000000, -0.0013753600000000 ] - [ -0.0009503900000000, 0.0005142200000000, 0.0000360300000000 ] - [ 0.0006987500000000, 0.0004465500000000, -0.0005086400000000 ] - [ 0.0021564200000000, 0.0049763500000000, 0.0011763800000000 ] - [ -0.0005141000000000, -0.0072389700000000, -0.0038392700000000 ] - [ -0.0021989000000000, -0.0019158300000000, -0.0011445600000000 ] - [ 0.0044305200000000, 0.0048794000000000, 0.0062818600000000 ] - [ -0.0101006600000000, -0.0029080400000000, -0.0051753800000000 ] - [ 0.0122561000000000, 0.0006658300000000, 0.0023734600000000 ] - [ -0.0069352300000000, -0.0006442000000000, 0.0036833500000000 ] - [ 0.0099167500000000, -0.0006530500000000, -0.0019168100000000 ] - [ 0.0124925300000000, -0.0022351700000000, 0.0020808000000000 ] - [ -0.0354052900000000, -0.0070131400000000, 0.0194189600000000 ] - [ -0.0059456000000000, -0.0026926900000000, -0.0018938000000000 ] - [ 0.0036083100000000, -0.0009090800000000, 0.0020336200000000 ] - [ -0.0013870300000000, -0.0005563200000000, 0.0005917100000000 ] - [ 0.0005037900000000, 0.0008645200000000, -0.0005606200000000 ] - [ -0.0063129500000000, 0.0025948600000000, -0.0002206100000000 ] - [ 0.0041604400000000, -0.0020335100000000, -0.0001090500000000 ] - [ -0.0001961500000000, 0.0001311700000000, 0.0002569600000000 ] - [ 0.0006162500000000, 0.0003646800000000, 0.0004539800000000 ] - [ 0.0098679100000000, -0.0034452300000000, -0.0030501900000000 ] - [ -0.0218174800000000, -0.0038898600000000, -0.0106553300000000 ] - [ 0.0013575000000000, 0.0010973600000000, 0.0003464700000000 ] - [ -0.0008974100000000, -0.0019065700000000, -0.0013197900000000 ] - [ 0.0016965200000000, 0.0028442700000000, -0.0019792900000000 ] - [ -0.0012711900000000, -0.0064145000000000, 0.0029705800000000 ] - [ -0.0025952300000000, 0.0006921800000000, -0.0010215600000000 ] - [ 0.0027333800000000, -0.0004383300000000, 0.0016010200000000 ] - [ 0.0024780000000000, 0.0019538100000000, 0.0003443600000000 ] - [ -0.0023083900000000, -0.0055322200000000, -0.0015646000000000 ] - [ -0.0024592700000000, 0.0014437100000000, 0.0004521700000000 ] - [ 0.0008657100000000, 0.0002182400000000, 0.0004233700000000 ] - [ 0.0071912900000000, 0.0045815400000000, -0.0016261200000000 ] - [ -0.0085494400000000, -0.0063865100000000, -0.0034009100000000 ] - [ -0.0019441000000000, -0.0024151900000000, 0.0002696100000000 ] - [ 0.0026485400000000, 0.0056229400000000, -0.0015706900000000 ] - [ -0.0009853800000000, -0.0021006100000000, -0.0011285900000000 ] - [ 0.0017943600000000, 0.0004058200000000, 0.0003698900000000 ] - [ -0.0008278000000000, 0.0004014200000000, 0.0004921200000000 ] - [ 0.0008713500000000, 0.0001482700000000, -0.0000060400000000 ] - [ 0.0059000300000000, 0.0002011900000000, 0.0000740000000000 ] - [ -0.0062875900000000, -0.0015213200000000, 0.0015043900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0286250800000000, -0.0935079500000000, 0.0003159200000000 ] - [ 0.0014802300000000, -0.0129694800000000, 0.0031174700000000 ] - [ -0.0001893900000000, 0.0095032200000000, 0.0011266600000000 ] - [ 0.0004909500000000, 0.0131052400000000, 0.0012091800000000 ] - [ -0.0012597100000000, 0.0062256200000000, -0.0023086500000000 ] - [ -0.0008015100000000, 0.0015876800000000, -0.0008810500000000 ] - [ -0.0110067400000000, 0.0004687000000000, -0.0062923900000000 ] - [ 0.0210559400000000, 0.0134869900000000, -0.0226623800000000 ] - [ -0.0003169700000000, 0.0051655300000000, 0.0002935400000000 ] - [ -0.0002068400000000, 0.0067790100000000, 0.0006539500000000 ] - [ -0.0003758900000000, 0.0075327100000000, -0.0007256400000000 ] - [ 0.0004460900000000, 0.0053304800000000, -0.0001298900000000 ] - [ -0.0000665300000000, 0.0089139500000000, -0.0003768200000000 ] - [ -0.0002591500000000, 0.0039561600000000, 0.0002887900000000 ] - [ -0.0088898800000000, 0.0258548900000000, 0.0147175200000000 ] - [ 0.0044959100000000, 0.0039224200000000, -0.0018108400000000 ] - [ -0.0032708300000000, -0.0030706500000000, 0.0027750800000000 ] - [ 0.0088494800000000, 0.0099127600000000, 0.0071296200000000 ] - [ 0.0035936100000000, -0.0100564000000000, -0.0010719500000000 ] - [ -0.0014011700000000, -0.0354875300000000, -0.0035178800000000 ] - [ 0.0062149800000000, -0.0069209900000000, -0.0004950500000000 ] - [ -0.0037678500000000, -0.0130501000000000, -0.0034160000000000 ] - [ 0.0074440400000000, 0.0014011000000000, 0.0042141500000000 ] - [ -0.0056053400000000, 0.0033911400000000, 0.0072113000000000 ] - [ -0.0004921900000000, 0.0211036400000000, 0.0034448900000000 ] - [ 0.0010363100000000, 0.0042618400000000, -0.0000025400000000 ] - [ -0.0060051500000000, -0.0136525400000000, -0.0015545400000000 ] - [ 0.0016529700000000, -0.0045347100000000, -0.0012185100000000 ] - [ -0.0040536400000000, 0.0014026200000000, 0.0064885300000000 ] - [ 0.0038478800000000, 0.0003724900000000, 0.0018317800000000 ] - [ 0.0156065700000000, 0.0014340600000000, -0.0057189200000000 ] - [ -0.0095888100000000, 0.0145973800000000, -0.0047354700000000 ] - [ -0.0065640800000000, -0.0071902100000000, 0.0027782300000000 ] - [ 0.0054405700000000, -0.0016193800000000, -0.0009460000000000 ] - [ -0.0041561500000000, -0.0054632200000000, -0.0041142600000000 ] - [ 0.0017467300000000, -0.0008689400000000, -0.0011666500000000 ] - [ 0.0004136000000000, 0.0191374400000000, -0.0001851300000000 ] - [ -0.0010631800000000, 0.0031580000000000, -0.0013474100000000 ] - [ -0.0005373900000000, -0.0052130400000000, 0.0003895200000000 ] - [ -0.0004084100000000, -0.0034113600000000, 0.0002373000000000 ] - [ -0.0022231600000000, 0.0031136200000000, -0.0019466400000000 ] - [ 0.0035322500000000, 0.0039081700000000, -0.0045075700000000 ] - [ 0.0018929400000000, 0.0003706300000000, -0.0007511400000000 ] - [ -0.0031791300000000, -0.0014228700000000, 0.0004413800000000 ] - [ 0.0006932600000000, 0.0090812400000000, 0.0057710300000000 ] - [ 0.0004565000000000, 0.0072329700000000, 0.0000873400000000 ] - [ 0.0010804900000000, 0.0068608000000000, -0.0015743600000000 ] - [ -0.0003714000000000, 0.0033691200000000, 0.0016530600000000 ] - [ -0.0009267800000000, 0.0085221400000000, 0.0006644200000000 ] - [ 0.0078801900000000, 0.0193322700000000, -0.0031897000000000 ] - [ 0.0006921500000000, 0.0057733000000000, 0.0030859900000000 ] - [ -0.0004723100000000, 0.0040838600000000, 0.0015642700000000 ] - [ 0.0003066100000000, -0.0031351800000000, -0.0000977600000000 ] - [ -0.0001050600000000, -0.0040002900000000, -0.0000384500000000 ] - [ 0.0005926500000000, -0.0047178700000000, -0.0066651400000000 ] - [ -0.0005071800000000, -0.0002333000000000, -0.0002073300000000 ] - [ 0.0004695500000000, -0.0027233000000000, 0.0007790100000000 ] - [ 0.0005516800000000, -0.0027660500000000, 0.0006510800000000 ] - [ 0.0024913900000000, 0.0070758800000000, -0.0022540500000000 ] - [ 0.0104778200000000, 0.0282294500000000, 0.0070304600000000 ] - [ -0.0011920400000000, -0.0042388400000000, -0.0013025400000000 ] - [ 0.0013669700000000, -0.0055976500000000, -0.0011066900000000 ] - [ -0.0036629300000000, -0.0050476700000000, 0.0032241600000000 ] - [ 0.0012781400000000, -0.0080775700000000, 0.0025695500000000 ] - [ 0.0012315500000000, -0.0059820800000000, 0.0000470900000000 ] - [ 0.0005970400000000, -0.0042978000000000, 0.0008575000000000 ] - [ -0.0038424600000000, -0.0011996600000000, -0.0011231700000000 ] - [ 0.0044392200000000, -0.0072812000000000, -0.0022419700000000 ] - [ 0.0001565200000000, -0.0113887700000000, 0.0005732700000000 ] - [ -0.0002303700000000, -0.0044061800000000, 0.0006136700000000 ] - [ -0.0060297700000000, 0.0061871500000000, 0.0020012400000000 ] - [ 0.0039991400000000, 0.0108315400000000, 0.0053063900000000 ] - [ 0.0062295300000000, -0.0030219500000000, -0.0038543600000000 ] - [ -0.0057105100000000, -0.0050470900000000, 0.0002355900000000 ] - [ -0.0012611000000000, -0.0141282200000000, -0.0016978600000000 ] - [ -0.0008728900000000, -0.0047336600000000, 0.0007686600000000 ] - [ -0.0007435300000000, -0.0034990100000000, -0.0001174100000000 ] - [ -0.0004986800000000, -0.0020494300000000, -0.0002617800000000 ] - [ -0.0032207500000000, 0.0029788300000000, 0.0002760300000000 ] - [ -0.0002695500000000, 0.0070561600000000, 0.0011913200000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0275815300000000, 0.0912546500000000, -0.0002571000000000 ] - [ -0.0020121000000000, 0.0129800100000000, -0.0031136300000000 ] - [ 0.0006775300000000, -0.0095266700000000, -0.0011559200000000 ] - [ 0.0000302100000000, -0.0131346500000000, -0.0012223000000000 ] - [ 0.0007742000000000, -0.0061674100000000, 0.0023553600000000 ] - [ 0.0002926300000000, -0.0015290100000000, 0.0009231400000000 ] - [ 0.0114436100000000, -0.0005304200000000, 0.0062219000000000 ] - [ -0.0203480900000000, -0.0134491300000000, 0.0224042900000000 ] - [ -0.0001945000000000, -0.0050093300000000, 0.0002688300000000 ] - [ -0.0002933600000000, -0.0066293700000000, -0.0000892700000000 ] - [ 0.0006518100000000, -0.0075999600000000, 0.0010029100000000 ] - [ -0.0001561500000000, -0.0053993000000000, 0.0004114600000000 ] - [ 0.0002718400000000, -0.0088552400000000, 0.0010550200000000 ] - [ 0.0004862700000000, -0.0038820400000000, 0.0004048300000000 ] - [ 0.0090878300000000, -0.0255134900000000, -0.0144113700000000 ] - [ -0.0041872200000000, -0.0039005100000000, 0.0020865700000000 ] - [ 0.0027282700000000, 0.0028219700000000, -0.0021756300000000 ] - [ -0.0091989100000000, -0.0102008300000000, -0.0064703000000000 ] - [ -0.0036867000000000, 0.0101879200000000, 0.0003778200000000 ] - [ 0.0010724300000000, 0.0355865800000000, 0.0027319200000000 ] - [ -0.0063930100000000, 0.0069606800000000, 0.0002307800000000 ] - [ 0.0034561200000000, 0.0131671900000000, 0.0031647000000000 ] - [ -0.0077600100000000, -0.0014552900000000, -0.0049567600000000 ] - [ 0.0054496000000000, -0.0034656400000000, -0.0079995500000000 ] - [ 0.0009970700000000, -0.0215149000000000, -0.0040367200000000 ] - [ -0.0005427500000000, -0.0044219800000000, -0.0005514700000000 ] - [ 0.0064678000000000, 0.0137077400000000, 0.0009797800000000 ] - [ -0.0011387000000000, 0.0046724000000000, 0.0006434600000000 ] - [ 0.0042314800000000, -0.0015115400000000, -0.0057266900000000 ] - [ -0.0036288100000000, -0.0004803900000000, -0.0011369300000000 ] - [ -0.0160616900000000, -0.0013408200000000, 0.0054838100000000 ] - [ 0.0094052400000000, -0.0144217100000000, 0.0046043800000000 ] - [ 0.0076375600000000, 0.0074168600000000, -0.0028137700000000 ] - [ -0.0044200500000000, 0.0019234500000000, 0.0008573000000000 ] - [ 0.0040119300000000, 0.0052161500000000, 0.0034934500000000 ] - [ -0.0019656800000000, 0.0005775600000000, 0.0004973500000000 ] - [ -0.0009677500000000, -0.0171802600000000, -0.0006118800000000 ] - [ 0.0007104400000000, -0.0033721300000000, 0.0009506100000000 ] - [ 0.0001870200000000, 0.0054654900000000, -0.0007926300000000 ] - [ 0.0000590500000000, 0.0036641900000000, -0.0006424400000000 ] - [ 0.0017814400000000, -0.0032319900000000, 0.0013946200000000 ] - [ -0.0039989100000000, -0.0040304000000000, 0.0039741900000000 ] - [ -0.0016787300000000, -0.0006309100000000, 0.0014220900000000 ] - [ 0.0033708300000000, 0.0011930100000000, 0.0002781800000000 ] - [ -0.0009041700000000, -0.0088339800000000, -0.0065148800000000 ] - [ -0.0006285400000000, -0.0069525400000000, -0.0007575500000000 ] - [ -0.0001127600000000, -0.0072554300000000, 0.0014446600000000 ] - [ 0.0014062200000000, -0.0037587300000000, -0.0017384100000000 ] - [ 0.0011913500000000, -0.0082236000000000, -0.0002989400000000 ] - [ -0.0075229500000000, -0.0191281900000000, 0.0035894600000000 ] - [ -0.0013456100000000, -0.0063991600000000, -0.0024473000000000 ] - [ -0.0001742900000000, -0.0047415700000000, -0.0009361600000000 ] - [ -0.0013172800000000, 0.0028009900000000, 0.0001647200000000 ] - [ -0.0009137600000000, 0.0036657800000000, 0.0001053800000000 ] - [ -0.0005179300000000, 0.0044878200000000, 0.0067681800000000 ] - [ 0.0005992300000000, 0.0000470400000000, 0.0003948000000000 ] - [ -0.0002594600000000, 0.0030105600000000, -0.0000952100000000 ] - [ -0.0003596900000000, 0.0030573500000000, 0.0000286700000000 ] - [ -0.0018733900000000, -0.0063179500000000, 0.0016416800000000 ] - [ -0.0093660300000000, -0.0272170800000000, -0.0072578100000000 ] - [ 0.0018646400000000, 0.0035419300000000, 0.0006929600000000 ] - [ -0.0007262000000000, 0.0049057700000000, 0.0004959100000000 ] - [ 0.0040528700000000, 0.0047984500000000, -0.0028513600000000 ] - [ -0.0009496400000000, 0.0077960800000000, -0.0021856200000000 ] - [ -0.0007980200000000, 0.0059505700000000, 0.0005040600000000 ] - [ -0.0001580000000000, 0.0042707000000000, -0.0002755900000000 ] - [ 0.0037871500000000, 0.0009819100000000, 0.0009312100000000 ] - [ -0.0046287200000000, 0.0071220300000000, 0.0020414900000000 ] - [ -0.0008090200000000, 0.0121470300000000, 0.0000476100000000 ] - [ -0.0004161400000000, 0.0051042300000000, 0.0000104800000000 ] - [ 0.0056221400000000, -0.0062317100000000, -0.0026008100000000 ] - [ -0.0041676300000000, -0.0111316600000000, -0.0056761400000000 ] - [ -0.0071769600000000, 0.0033582600000000, 0.0038884000000000 ] - [ 0.0046556500000000, 0.0054076400000000, -0.0001798200000000 ] - [ 0.0017016400000000, 0.0141847600000000, 0.0023027700000000 ] - [ 0.0013105700000000, 0.0047937300000000, -0.0001902500000000 ] - [ 0.0008418800000000, 0.0037166900000000, 0.0003209300000000 ] - [ 0.0005980700000000, 0.0022652700000000, 0.0004593400000000 ] - [ 0.0030825400000000, -0.0027732700000000, -0.0004824600000000 ] - [ 0.0001816400000000, -0.0068602500000000, -0.0013988300000000 ]- atom: 1 displacement: [ -0.0001950079929100, 0.0000000000000000, 0.0099980984133335 ] forces: - [ 0.0009934400000000, 0.0004415000000000, -0.0972076100000000 ] - [ -0.0019887300000000, 0.0030871500000000, -0.0200108900000000 ] - [ 0.0004885900000000, -0.0011615300000000, 0.0002358700000000 ] - [ -0.0006809500000000, -0.0012251700000000, -0.0000656800000000 ] - [ -0.0005104500000000, 0.0022511100000000, 0.0119989200000000 ] - [ 0.0003200600000000, 0.0008852300000000, 0.0050692300000000 ] - [ 0.0048196100000000, -0.0060260200000000, 0.0035471800000000 ] - [ -0.0063434900000000, -0.0228905100000000, 0.0114046400000000 ] - [ -0.0000972200000000, -0.0001053300000000, -0.0001268900000000 ] - [ -0.0005097500000000, -0.0005000100000000, -0.0005304100000000 ] - [ 0.0003371900000000, -0.0014248700000000, 0.0002492600000000 ] - [ -0.0006569000000000, -0.0005925300000000, 0.0004026300000000 ] - [ 0.0000720100000000, -0.0015249800000000, -0.0001168300000000 ] - [ -0.0002603200000000, -0.0001923800000000, -0.0005464300000000 ] - [ 0.0017846900000000, 0.0004365300000000, -0.0145244300000000 ] - [ 0.0024649800000000, -0.0000721400000000, -0.0023289800000000 ] - [ -0.0004083300000000, 0.0063194100000000, 0.0008685000000000 ] - [ 0.0020823200000000, 0.0256823100000000, 0.0058992100000000 ] - [ -0.0304402700000000, -0.0013373800000000, 0.0057801700000000 ] - [ 0.0233380300000000, -0.0029388800000000, 0.0294646300000000 ] - [ 0.0199885800000000, 0.0027142100000000, 0.0093834300000000 ] - [ -0.0099324500000000, 0.0102360400000000, 0.0244057800000000 ] - [ 0.0018545900000000, 0.0028961700000000, -0.0034326600000000 ] - [ -0.0015752200000000, 0.0053855100000000, -0.0062732800000000 ] - [ 0.0013823400000000, -0.0034677800000000, -0.0089416400000000 ] - [ 0.0003582000000000, -0.0017235600000000, -0.0033287300000000 ] - [ 0.0032920400000000, -0.0018485700000000, 0.0476033200000000 ] - [ -0.0002864500000000, 0.0005809400000000, 0.0077437500000000 ] - [ 0.0004564900000000, 0.0011213300000000, 0.0086517500000000 ] - [ 0.0024237300000000, 0.0003709200000000, 0.0032140000000000 ] - [ -0.0056587100000000, -0.0057914500000000, 0.0000359400000000 ] - [ 0.0043936400000000, -0.0193959700000000, -0.0047897800000000 ] - [ 0.0024766700000000, 0.0063451700000000, 0.0024877800000000 ] - [ -0.0042474400000000, 0.0042646900000000, 0.0020934600000000 ] - [ -0.0003339800000000, -0.0027614600000000, 0.0018925700000000 ] - [ 0.0010433700000000, -0.0007819300000000, 0.0015113900000000 ] - [ -0.0016051100000000, 0.0046157800000000, 0.0136231300000000 ] - [ 0.0001986400000000, 0.0003623100000000, 0.0030843300000000 ] - [ 0.0000323900000000, -0.0000671500000000, -0.0009693900000000 ] - [ 0.0000029600000000, 0.0002706800000000, -0.0007624600000000 ] - [ -0.0037296600000000, -0.0043521700000000, -0.0006038000000000 ] - [ 0.0024180900000000, -0.0074819300000000, -0.0044496700000000 ] - [ -0.0003232000000000, -0.0014973300000000, -0.0018993100000000 ] - [ -0.0026926800000000, -0.0045249400000000, -0.0066005500000000 ] - [ 0.0041427200000000, 0.0015922100000000, -0.0064298700000000 ] - [ -0.0091435200000000, 0.0003726800000000, -0.0064155100000000 ] - [ -0.0048768700000000, -0.0001820600000000, -0.0195774500000000 ] - [ 0.0068289200000000, -0.0019489100000000, -0.0068978200000000 ] - [ -0.0093618600000000, 0.0022208700000000, 0.0024872400000000 ] - [ -0.0115394800000000, -0.0031072500000000, 0.0155898100000000 ] - [ -0.0020897400000000, 0.0006273000000000, -0.0102124600000000 ] - [ -0.0008349200000000, -0.0004676400000000, -0.0029091900000000 ] - [ -0.0006512500000000, 0.0004304100000000, -0.0002415600000000 ] - [ 0.0000791200000000, 0.0010802000000000, -0.0007748300000000 ] - [ 0.0034755800000000, -0.0062040500000000, -0.0004370700000000 ] - [ 0.0003468200000000, -0.0016286300000000, -0.0001681100000000 ] - [ 0.0000693200000000, 0.0003742900000000, 0.0007001000000000 ] - [ 0.0004512000000000, 0.0003586900000000, 0.0009997200000000 ] - [ 0.0073466200000000, -0.0032754600000000, 0.0027229700000000 ] - [ 0.0085784200000000, -0.0000119000000000, 0.0139781500000000 ] - [ -0.0002643200000000, -0.0009322000000000, -0.0003948600000000 ] - [ 0.0001410200000000, -0.0014663600000000, 0.0002008300000000 ] - [ 0.0014311100000000, 0.0020847500000000, -0.0020760500000000 ] - [ 0.0009941400000000, 0.0053786400000000, -0.0028440700000000 ] - [ -0.0014802600000000, 0.0008926800000000, -0.0030736800000000 ] - [ -0.0008557000000000, 0.0000997600000000, -0.0014375900000000 ] - [ 0.0004837100000000, 0.0008374800000000, 0.0028653800000000 ] - [ 0.0000421100000000, 0.0020180500000000, 0.0054189700000000 ] - [ -0.0003040200000000, 0.0033302500000000, 0.0015888100000000 ] - [ -0.0002910500000000, 0.0015715400000000, 0.0008398800000000 ] - [ 0.0071219600000000, 0.0027368900000000, 0.0027376600000000 ] - [ -0.0016930500000000, 0.0086815500000000, 0.0063375500000000 ] - [ -0.0025167300000000, -0.0007831800000000, 0.0031289200000000 ] - [ -0.0023377900000000, -0.0051483400000000, 0.0038266700000000 ] - [ 0.0005794800000000, 0.0036070500000000, 0.0033028800000000 ] - [ -0.0002608700000000, -0.0001042100000000, 0.0008766600000000 ] - [ -0.0000687600000000, 0.0004202300000000, 0.0004766300000000 ] - [ 0.0000151700000000, 0.0001986600000000, 0.0004800900000000 ] - [ 0.0024697700000000, 0.0011124000000000, -0.0098317800000000 ] - [ -0.0007683400000000, 0.0006525600000000, -0.0179784700000000 ]- atom: 1 displacement: [ 0.0001950079929100, 0.0000000000000000, -0.0099980984133335 ] forces: - [ -0.0035777800000000, -0.0012153500000000, 0.0964414800000000 ] - [ 0.0014385900000000, -0.0030735900000000, 0.0200218600000000 ] - [ 0.0000113100000000, 0.0011371300000000, -0.0002853800000000 ] - [ 0.0011791400000000, 0.0011966800000000, 0.0000067000000000 ] - [ 0.0000300800000000, -0.0023727800000000, -0.0120028800000000 ] - [ -0.0008351800000000, -0.0008979500000000, -0.0050497000000000 ] - [ -0.0043035000000000, 0.0060477800000000, -0.0035286000000000 ] - [ 0.0068883700000000, 0.0229737600000000, -0.0112846000000000 ] - [ -0.0004108300000000, 0.0002591900000000, 0.0007039700000000 ] - [ 0.0000007900000000, 0.0006450800000000, 0.0011056000000000 ] - [ -0.0000569700000000, 0.0013671100000000, 0.0000532600000000 ] - [ 0.0009378700000000, 0.0005293600000000, -0.0001157700000000 ] - [ 0.0001532500000000, 0.0015863000000000, 0.0008233400000000 ] - [ 0.0004766100000000, 0.0002672000000000, 0.0012383500000000 ] - [ -0.0014775400000000, -0.0004631400000000, 0.0146343600000000 ] - [ -0.0021932200000000, 0.0001148800000000, 0.0026151100000000 ] - [ -0.0001126100000000, -0.0064500100000000, -0.0003290400000000 ] - [ -0.0024999000000000, -0.0258751000000000, -0.0053335500000000 ] - [ 0.0297970100000000, 0.0013999800000000, -0.0065432400000000 ] - [ -0.0232382100000000, 0.0030679000000000, -0.0301338500000000 ] - [ -0.0206505100000000, -0.0027618300000000, -0.0095981300000000 ] - [ 0.0098633700000000, -0.0101592300000000, -0.0246391300000000 ] - [ -0.0020643300000000, -0.0030104200000000, 0.0027704200000000 ] - [ 0.0013549800000000, -0.0055038000000000, 0.0056496400000000 ] - [ -0.0008500400000000, 0.0033475300000000, 0.0083884000000000 ] - [ 0.0001454900000000, 0.0015466700000000, 0.0027624300000000 ] - [ -0.0026481200000000, 0.0021625300000000, -0.0481292600000000 ] - [ 0.0007288500000000, -0.0003840300000000, -0.0082982700000000 ] - [ -0.0002668100000000, -0.0010935200000000, -0.0079763000000000 ] - [ -0.0022284000000000, -0.0004537700000000, -0.0025208700000000 ] - [ 0.0054063900000000, 0.0058217700000000, -0.0003437700000000 ] - [ -0.0046882100000000, 0.0194440000000000, 0.0044924800000000 ] - [ -0.0014848800000000, -0.0060340600000000, -0.0024827400000000 ] - [ 0.0052598200000000, -0.0039151200000000, -0.0021579700000000 ] - [ 0.0001225500000000, 0.0024908900000000, -0.0025986200000000 ] - [ -0.0012509100000000, 0.0005094700000000, -0.0022028200000000 ] - [ 0.0012643600000000, -0.0046872000000000, -0.0141303100000000 ] - [ -0.0005384700000000, -0.0006187900000000, -0.0034755900000000 ] - [ -0.0003849400000000, 0.0003496800000000, 0.0005745200000000 ] - [ -0.0003536200000000, -0.0000074300000000, 0.0003623400000000 ] - [ 0.0033496400000000, 0.0043610000000000, 0.0000020400000000 ] - [ -0.0029101200000000, 0.0074894200000000, 0.0038671000000000 ] - [ 0.0005491800000000, 0.0011925100000000, 0.0025857700000000 ] - [ 0.0028915700000000, 0.0042723000000000, 0.0072942800000000 ] - [ -0.0044579400000000, -0.0012823700000000, 0.0067785400000000 ] - [ 0.0089605400000000, -0.0001079000000000, 0.0057629100000000 ] - [ 0.0059872100000000, -0.0001500800000000, 0.0191671100000000 ] - [ -0.0057856600000000, 0.0015527800000000, 0.0067805200000000 ] - [ 0.0097296800000000, -0.0019975500000000, -0.0022416700000000 ] - [ 0.0129621600000000, 0.0035733100000000, -0.0160698000000000 ] - [ 0.0014002300000000, -0.0014997500000000, 0.0108140100000000 ] - [ 0.0001996500000000, -0.0002536000000000, 0.0035190000000000 ] - [ -0.0003602600000000, -0.0007710300000000, 0.0003058400000000 ] - [ -0.0010948400000000, -0.0014129000000000, 0.0008420500000000 ] - [ -0.0033923800000000, 0.0059386900000000, 0.0006872700000000 ] - [ -0.0002347400000000, 0.0014129200000000, 0.0003651500000000 ] - [ 0.0001256800000000, -0.0000868200000000, -0.0000271800000000 ] - [ -0.0002490000000000, -0.0000715600000000, -0.0003240400000000 ] - [ -0.0066357600000000, 0.0039306400000000, -0.0032630700000000 ] - [ -0.0072213100000000, 0.0011481000000000, -0.0139839800000000 ] - [ 0.0009151700000000, 0.0002539600000000, -0.0002325100000000 ] - [ 0.0005044900000000, 0.0007951800000000, -0.0008395900000000 ] - [ -0.0010835700000000, -0.0023274000000000, 0.0024856300000000 ] - [ -0.0006528500000000, -0.0056304800000000, 0.0032600300000000 ] - [ 0.0019108800000000, -0.0009618500000000, 0.0036208500000000 ] - [ 0.0012989100000000, -0.0001382000000000, 0.0020108000000000 ] - [ -0.0005824000000000, -0.0010387600000000, -0.0030662900000000 ] - [ -0.0001232600000000, -0.0022509600000000, -0.0056265300000000 ] - [ -0.0003489600000000, -0.0026228500000000, -0.0009676200000000 ] - [ -0.0003579700000000, -0.0008644300000000, -0.0002149400000000 ] - [ -0.0075099600000000, -0.0026541400000000, -0.0032261200000000 ] - [ 0.0015345000000000, -0.0087994200000000, -0.0065958900000000 ] - [ 0.0014747200000000, 0.0011278400000000, -0.0030267200000000 ] - [ 0.0013332400000000, 0.0054955400000000, -0.0037549000000000 ] - [ -0.0001344000000000, -0.0035074600000000, -0.0026868800000000 ] - [ 0.0007027800000000, 0.0001615800000000, -0.0002989900000000 ] - [ 0.0001697400000000, -0.0002037900000000, -0.0002903100000000 ] - [ 0.0000868300000000, 0.0000169100000000, -0.0002852400000000 ] - [ -0.0024323000000000, -0.0009216900000000, 0.0096209900000000 ] - [ 0.0005370100000000, -0.0004554600000000, 0.0177685300000000 ]- atom: 9 displacement: [ 0.0099999932521795, 0.0000000000000000, -0.0000116170720741 ] forces: - [ 0.0003347600000000, -0.0000649500000000, 0.0001877400000000 ] - [ -0.0010191900000000, 0.0000358000000000, -0.0002508700000000 ] - [ -0.0229587400000000, 0.0062279000000000, 0.0024537500000000 ] - [ 0.0099424500000000, -0.0014027700000000, -0.0003501400000000 ] - [ 0.0017603400000000, 0.0030200300000000, -0.0001004500000000 ] - [ -0.0026345600000000, -0.0089854700000000, 0.0022606600000000 ] - [ -0.0096330300000000, -0.0007226000000000, 0.0009184100000000 ] - [ 0.0047035900000000, 0.0007857600000000, 0.0001764100000000 ] - [ -0.2858726700000000, 0.0301156800000000, -0.0143084500000000 ] - [ 0.0156954500000000, -0.0007416800000000, 0.0005521400000000 ] - [ 0.0285814100000000, -0.0130023400000000, -0.0186474800000000 ] - [ 0.0255622800000000, 0.0150126700000000, 0.0461329100000000 ] - [ 0.0268655200000000, -0.0058946500000000, 0.0221823800000000 ] - [ 0.0247460900000000, -0.0002201800000000, -0.0478319200000000 ] - [ 0.0004627200000000, -0.0028555900000000, 0.0002915900000000 ] - [ 0.0021495000000000, 0.0053288200000000, 0.0001716600000000 ] - [ -0.0033065100000000, -0.0006758300000000, -0.0002046700000000 ] - [ 0.0014458300000000, 0.0001049600000000, 0.0004875400000000 ] - [ -0.0002989700000000, -0.0001125800000000, -0.0003139600000000 ] - [ 0.0000652300000000, 0.0001194200000000, -0.0003684300000000 ] - [ -0.0008095400000000, -0.0004391600000000, -0.0003178200000000 ] - [ 0.0001429300000000, -0.0001282600000000, -0.0000538000000000 ] - [ -0.0018969200000000, 0.0026036500000000, -0.0048761700000000 ] - [ 0.0029463200000000, -0.0011594900000000, -0.0001412600000000 ] - [ 0.0020441700000000, 0.0030789600000000, 0.0004683700000000 ] - [ 0.0001123200000000, -0.0063046000000000, -0.0025816700000000 ] - [ 0.0005172600000000, -0.0002041000000000, -0.0004474100000000 ] - [ 0.0000707400000000, 0.0004585400000000, -0.0000195200000000 ] - [ 0.0008857900000000, -0.0024804900000000, -0.0004919000000000 ] - [ 0.0016841900000000, 0.0042289800000000, 0.0021865300000000 ] - [ -0.0009942200000000, 0.0003771100000000, -0.0006060000000000 ] - [ 0.0008423100000000, -0.0000382700000000, -0.0006553900000000 ] - [ 0.0009441200000000, -0.0004371700000000, -0.0003911700000000 ] - [ -0.0002834200000000, 0.0015708300000000, 0.0013237900000000 ] - [ 0.0013346900000000, -0.0021989500000000, 0.0009134500000000 ] - [ -0.0011877900000000, 0.0027940100000000, -0.0002799400000000 ] - [ -0.0007426200000000, 0.0007612300000000, 0.0005648800000000 ] - [ 0.0009990100000000, -0.0020087300000000, -0.0014630900000000 ] - [ -0.0059375800000000, -0.0017022600000000, 0.0049236300000000 ] - [ 0.0051190900000000, 0.0020760500000000, -0.0154071500000000 ] - [ -0.0007070100000000, 0.0006716900000000, 0.0004086700000000 ] - [ -0.0010284300000000, 0.0002489400000000, -0.0008855000000000 ] - [ 0.0007376000000000, 0.0020304100000000, 0.0009821000000000 ] - [ -0.0014811400000000, -0.0010091000000000, -0.0001222700000000 ] - [ -0.0000171400000000, 0.0002124500000000, -0.0002618500000000 ] - [ -0.0001825500000000, 0.0000588200000000, -0.0003811100000000 ] - [ 0.0005342200000000, -0.0002625800000000, -0.0000156300000000 ] - [ 0.0004004900000000, -0.0001851800000000, -0.0000990600000000 ] - [ 0.0002438700000000, 0.0011710600000000, 0.0000805300000000 ] - [ -0.0000183500000000, 0.0000469200000000, 0.0002966000000000 ] - [ -0.0010184200000000, 0.0005061000000000, -0.0000559200000000 ] - [ 0.0006858900000000, -0.0019676000000000, 0.0009560500000000 ] - [ 0.0660285400000000, -0.0188858500000000, -0.0265868400000000 ] - [ -0.0137832900000000, -0.0005482300000000, -0.0048571800000000 ] - [ -0.0009118400000000, 0.0007254300000000, 0.0003104000000000 ] - [ 0.0014984000000000, -0.0020688200000000, -0.0004932800000000 ] - [ 0.0711723900000000, -0.0074399000000000, 0.0312852700000000 ] - [ -0.0142115100000000, 0.0014970700000000, 0.0062801500000000 ] - [ 0.0010693400000000, 0.0007590700000000, -0.0000442500000000 ] - [ -0.0000991000000000, 0.0001455700000000, -0.0004630900000000 ] - [ 0.0412270800000000, -0.0002103100000000, 0.0080630400000000 ] - [ -0.0028732200000000, -0.0000627200000000, -0.0009026400000000 ] - [ 0.0012625700000000, -0.0008558600000000, -0.0002055300000000 ] - [ -0.0006709100000000, -0.0003269900000000, 0.0004909400000000 ] - [ -0.0026933000000000, 0.0035625400000000, 0.0012810200000000 ] - [ 0.0021591800000000, -0.0118553500000000, -0.0079264000000000 ] - [ 0.0018716500000000, -0.0000703900000000, 0.0003911100000000 ] - [ -0.0015888700000000, -0.0003649100000000, 0.0003372100000000 ] - [ -0.0058043300000000, -0.0013682500000000, -0.0027791400000000 ] - [ 0.0038698500000000, 0.0043007300000000, 0.0111918800000000 ] - [ 0.0000970400000000, -0.0000632700000000, -0.0000432100000000 ] - [ -0.0005657700000000, 0.0001497500000000, -0.0002622800000000 ] - [ 0.0006612100000000, 0.0016859500000000, -0.0006643900000000 ] - [ -0.0021111000000000, -0.0006336300000000, 0.0001150200000000 ] - [ -0.0032361400000000, 0.0023488000000000, -0.0029888100000000 ] - [ 0.0019880100000000, -0.0057740500000000, 0.0127555100000000 ] - [ -0.0126558000000000, -0.0005763600000000, 0.0003539900000000 ] - [ 0.0478304600000000, 0.0071682900000000, -0.0013331600000000 ] - [ 0.0002657200000000, 0.0001378600000000, -0.0001917400000000 ] - [ -0.0003276500000000, 0.0001816300000000, -0.0001033600000000 ]- atom: 9 displacement: [ -0.0099999932521795, 0.0000000000000000, 0.0000116170720741 ] forces: - [ -0.0008403300000000, 0.0000573500000000, -0.0001492900000000 ] - [ 0.0005313800000000, -0.0000489500000000, 0.0002878400000000 ] - [ 0.0235551500000000, -0.0062417000000000, -0.0024705900000000 ] - [ -0.0094539900000000, 0.0013910600000000, 0.0003061900000000 ] - [ -0.0022776300000000, -0.0029845700000000, 0.0001185000000000 ] - [ 0.0022304400000000, 0.0090456600000000, -0.0022140800000000 ] - [ 0.0101686400000000, 0.0007758100000000, -0.0009485800000000 ] - [ -0.0042096400000000, -0.0007923100000000, -0.0002168300000000 ] - [ 0.2927895900000000, -0.0247229100000000, 0.0133937900000000 ] - [ -0.0161213000000000, 0.0009344700000000, 0.0000130200000000 ] - [ -0.0280931800000000, 0.0126998200000000, 0.0185797100000000 ] - [ -0.0256582400000000, -0.0152426300000000, -0.0460510800000000 ] - [ -0.0264619900000000, 0.0058359100000000, -0.0210567800000000 ] - [ -0.0249091700000000, 0.0001890100000000, 0.0487187400000000 ] - [ -0.0001834100000000, 0.0029071700000000, -0.0000053100000000 ] - [ -0.0018773000000000, -0.0053203900000000, 0.0001070300000000 ] - [ 0.0028132300000000, 0.0005058500000000, 0.0007763600000000 ] - [ -0.0019585300000000, -0.0002776400000000, 0.0000809600000000 ] - [ 0.0000765300000000, 0.0001927500000000, -0.0003745700000000 ] - [ -0.0002804100000000, -0.0000368300000000, -0.0003207600000000 ] - [ 0.0005145800000000, 0.0003756100000000, 0.0000390400000000 ] - [ -0.0004219400000000, 0.0000829200000000, -0.0002354900000000 ] - [ 0.0015455100000000, -0.0027030700000000, 0.0041833100000000 ] - [ -0.0031757600000000, 0.0010904800000000, -0.0005467400000000 ] - [ -0.0015374900000000, -0.0032355000000000, -0.0010233700000000 ] - [ 0.0004308200000000, 0.0061852200000000, 0.0020196200000000 ] - [ -0.0000123600000000, 0.0003700700000000, -0.0001209300000000 ] - [ 0.0004415800000000, -0.0002966100000000, -0.0005515200000000 ] - [ -0.0006779600000000, 0.0023968700000000, 0.0011819400000000 ] - [ -0.0014749800000000, -0.0043481000000000, -0.0015100000000000 ] - [ 0.0006917900000000, -0.0003386400000000, 0.0003142200000000 ] - [ -0.0011238800000000, 0.0000917200000000, 0.0003764600000000 ] - [ 0.0000796800000000, 0.0007789000000000, 0.0003186600000000 ] - [ 0.0012945300000000, -0.0012383200000000, -0.0014054900000000 ] - [ -0.0015159600000000, 0.0018989000000000, -0.0015995500000000 ] - [ 0.0009890100000000, -0.0031020200000000, -0.0003986000000000 ] - [ 0.0003941100000000, -0.0010127200000000, -0.0009653500000000 ] - [ -0.0013576700000000, 0.0017699500000000, 0.0010729300000000 ] - [ 0.0055873500000000, 0.0019627100000000, -0.0052947800000000 ] - [ -0.0054992500000000, -0.0018439700000000, 0.0151218100000000 ] - [ 0.0002809300000000, -0.0006178000000000, -0.0009900400000000 ] - [ 0.0005896400000000, -0.0003059100000000, 0.0003143100000000 ] - [ -0.0005349400000000, -0.0023194100000000, -0.0003073800000000 ] - [ 0.0016903100000000, 0.0007343700000000, 0.0008037400000000 ] - [ -0.0001813000000000, 0.0000690900000000, -0.0004168200000000 ] - [ -0.0000209300000000, 0.0002242500000000, -0.0002972900000000 ] - [ 0.0004882900000000, -0.0000799500000000, -0.0000540100000000 ] - [ 0.0006095200000000, -0.0001574800000000, 0.0000339500000000 ] - [ 0.0001084100000000, -0.0009194900000000, 0.0003268400000000 ] - [ 0.0003695900000000, 0.0002069500000000, 0.0001019200000000 ] - [ 0.0003715300000000, -0.0012012900000000, 0.0006811500000000 ] - [ -0.0013439900000000, 0.0012843200000000, -0.0003384100000000 ] - [ -0.0666837800000000, 0.0174473400000000, 0.0253170900000000 ] - [ 0.0127113600000000, 0.0002065400000000, 0.0048900900000000 ] - [ 0.0010137400000000, -0.0009339300000000, -0.0001142800000000 ] - [ -0.0014076400000000, 0.0018706300000000, 0.0006896400000000 ] - [ -0.0705619800000000, 0.0073252900000000, -0.0288210600000000 ] - [ 0.0143520900000000, -0.0011939700000000, -0.0055651300000000 ] - [ -0.0004227100000000, -0.0000569400000000, -0.0005808800000000 ] - [ 0.0007493600000000, 0.0005563200000000, -0.0001605600000000 ] - [ -0.0406353300000000, -0.0016605200000000, -0.0084432100000000 ] - [ 0.0035194600000000, -0.0006591000000000, 0.0002847200000000 ] - [ -0.0009095500000000, 0.0006122900000000, 0.0005925700000000 ] - [ 0.0010195200000000, 0.0000693400000000, -0.0000961500000000 ] - [ 0.0031942500000000, -0.0036192100000000, -0.0006743200000000 ] - [ -0.0016992700000000, 0.0119127400000000, 0.0085681800000000 ] - [ -0.0019812000000000, -0.0001250300000000, -0.0005564400000000 ] - [ 0.0014913600000000, 0.0001528500000000, -0.0005389200000000 ] - [ 0.0051655600000000, 0.0020732200000000, 0.0033778100000000 ] - [ -0.0045324000000000, -0.0036365500000000, -0.0106488500000000 ] - [ -0.0005354900000000, 0.0001193500000000, -0.0005339200000000 ] - [ 0.0001265600000000, -0.0001045500000000, -0.0003172600000000 ] - [ -0.0016754400000000, -0.0013428800000000, 0.0007328800000000 ] - [ 0.0011078500000000, 0.0009842400000000, -0.0000460500000000 ] - [ 0.0037402400000000, -0.0023210700000000, 0.0035613600000000 ] - [ -0.0015323300000000, 0.0058802800000000, -0.0122666200000000 ] - [ 0.0127833800000000, 0.0007977000000000, -0.0001537000000000 ] - [ -0.0556978200000000, -0.0091300200000000, 0.0021940400000000 ] - [ -0.0003671500000000, 0.0000783200000000, -0.0000074700000000 ] - [ 0.0002287400000000, 0.0000283600000000, -0.0000919400000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003096300000000, 0.0050891000000000, -0.0001517500000000 ] - [ -0.0002519000000000, 0.0067056000000000, -0.0005524300000000 ] - [ 0.0085703600000000, -0.0137090200000000, 0.0021228000000000 ] - [ -0.0011579800000000, -0.0046157500000000, -0.0005377000000000 ] - [ 0.0096498800000000, -0.0029448500000000, -0.0061866400000000 ] - [ -0.0255278800000000, 0.0101202700000000, -0.0263372100000000 ] - [ 0.0026596100000000, 0.0212288300000000, -0.0033677900000000 ] - [ -0.0001914700000000, 0.0043607100000000, -0.0016666600000000 ] - [ 0.0265522300000000, -0.3010936200000000, -0.0067352400000000 ] - [ -0.0010829400000000, -0.0060255500000000, 0.0017032000000000 ] - [ -0.0248774200000000, -0.0017456000000000, 0.0046852900000000 ] - [ 0.0103362600000000, -0.0001899100000000, 0.0136168200000000 ] - [ -0.0076946700000000, -0.0002632700000000, -0.0037945900000000 ] - [ 0.0045016700000000, -0.0038148500000000, -0.0127453000000000 ] - [ -0.0010301500000000, 0.0008989200000000, 0.0006734800000000 ] - [ 0.0010954800000000, 0.0023071200000000, 0.0004293100000000 ] - [ 0.0003344300000000, 0.0034821100000000, 0.0015681000000000 ] - [ -0.0004434700000000, 0.0024604200000000, 0.0008842200000000 ] - [ 0.0006451300000000, 0.0029877000000000, -0.0009068300000000 ] - [ -0.0005543400000000, 0.0020347700000000, -0.0007001200000000 ] - [ 0.0016643000000000, 0.0093171700000000, 0.0008147800000000 ] - [ -0.0013719200000000, 0.0030672300000000, 0.0005952800000000 ] - [ 0.0152920000000000, 0.0393140100000000, 0.0195889200000000 ] - [ -0.0041934100000000, -0.0018871000000000, -0.0022253400000000 ] - [ 0.0034322800000000, -0.0074802400000000, 0.0063636300000000 ] - [ -0.0060149400000000, -0.0057661900000000, 0.0054549100000000 ] - [ 0.0005407500000000, 0.0037358900000000, -0.0006488500000000 ] - [ -0.0001221600000000, 0.0055046900000000, -0.0004328000000000 ] - [ -0.0009903900000000, 0.0035621700000000, 0.0015791800000000 ] - [ 0.0010031000000000, 0.0031617800000000, 0.0018673200000000 ] - [ 0.0035713700000000, 0.0041922600000000, 0.0047094100000000 ] - [ -0.0030511600000000, 0.0015872300000000, 0.0009279600000000 ] - [ -0.0010070500000000, -0.0001677500000000, -0.0012490000000000 ] - [ 0.0025243100000000, -0.0000460500000000, 0.0021698800000000 ] - [ -0.0122911500000000, -0.0027363400000000, -0.0073161500000000 ] - [ 0.0065709700000000, -0.0001210900000000, -0.0016928900000000 ] - [ 0.0004683900000000, -0.0025755000000000, 0.0001258300000000 ] - [ -0.0012459000000000, -0.0029265500000000, 0.0008715600000000 ] - [ 0.0074451900000000, 0.0093410700000000, -0.0057098700000000 ] - [ -0.0001968100000000, 0.0102604300000000, -0.0002590300000000 ] - [ -0.0009274500000000, -0.0183614100000000, 0.0007672700000000 ] - [ 0.0003939800000000, -0.0016677200000000, -0.0002548300000000 ] - [ 0.0001377000000000, -0.0023822800000000, -0.0009772800000000 ] - [ -0.0009474600000000, -0.0013805600000000, -0.0004968300000000 ] - [ -0.0005686500000000, -0.0012023500000000, -0.0004587900000000 ] - [ 0.0000698700000000, -0.0017861400000000, -0.0003874100000000 ] - [ -0.0014115400000000, -0.0028809100000000, 0.0005433400000000 ] - [ 0.0011277500000000, -0.0034778200000000, -0.0004609000000000 ] - [ 0.0004844800000000, -0.0077013800000000, -0.0004224700000000 ] - [ 0.0005046300000000, -0.0026768300000000, -0.0001976200000000 ] - [ -0.0000413100000000, -0.0039884900000000, 0.0002616900000000 ] - [ -0.0013510900000000, -0.0048897000000000, -0.0008092100000000 ] - [ -0.0220181500000000, 0.0659246800000000, 0.0413566400000000 ] - [ -0.0031421100000000, -0.0001357300000000, -0.0016337900000000 ] - [ 0.0008374600000000, -0.0010667600000000, -0.0005883100000000 ] - [ 0.0002419700000000, -0.0014522600000000, -0.0003203500000000 ] - [ -0.0101801300000000, 0.0375366100000000, -0.0187486400000000 ] - [ -0.0036728900000000, 0.0011761100000000, 0.0028430200000000 ] - [ 0.0000591500000000, -0.0031644600000000, -0.0005471900000000 ] - [ 0.0002827800000000, -0.0022570100000000, -0.0004960300000000 ] - [ 0.0076508100000000, 0.1122139100000000, -0.0091273400000000 ] - [ 0.0007613200000000, 0.0050705100000000, -0.0004396400000000 ] - [ -0.0014364700000000, 0.0024096800000000, 0.0054139700000000 ] - [ 0.0017322300000000, 0.0044363700000000, 0.0021310100000000 ] - [ 0.0041401900000000, -0.0044658700000000, -0.0008518700000000 ] - [ -0.0021869900000000, -0.0033424100000000, -0.0018117100000000 ] - [ 0.0009728000000000, -0.0036862900000000, -0.0109474500000000 ] - [ 0.0007512700000000, 0.0011965900000000, -0.0012289800000000 ] - [ 0.0049498500000000, 0.0079344200000000, 0.0019266600000000 ] - [ -0.0008204400000000, 0.0093461700000000, -0.0008475900000000 ] - [ -0.0002649500000000, -0.0041545900000000, -0.0012182700000000 ] - [ 0.0004386800000000, -0.0019430300000000, -0.0003878200000000 ] - [ -0.0002875400000000, -0.0004776400000000, 0.0003937600000000 ] - [ -0.0014725400000000, -0.0005097300000000, 0.0003516300000000 ] - [ -0.0007925400000000, 0.0006788500000000, 0.0007320400000000 ] - [ -0.0016523300000000, -0.0012970800000000, 0.0031213000000000 ] - [ 0.0071147600000000, 0.0036613100000000, 0.0019333200000000 ] - [ 0.0057248100000000, 0.0361208600000000, 0.0033376100000000 ] - [ 0.0004589800000000, -0.0027692900000000, 0.0007972900000000 ] - [ 0.0004688500000000, -0.0011986000000000, 0.0002140900000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008035000000000, -0.0050869800000000, 0.0001915300000000 ] - [ -0.0002557200000000, -0.0067021400000000, 0.0005930300000000 ] - [ -0.0080279000000000, 0.0136503200000000, -0.0022127500000000 ] - [ 0.0016855400000000, 0.0045897300000000, 0.0004828900000000 ] - [ -0.0101183300000000, 0.0029464900000000, 0.0062015700000000 ] - [ 0.0248870500000000, -0.0099947000000000, 0.0262160600000000 ] - [ -0.0021877700000000, -0.0213883600000000, 0.0033549600000000 ] - [ 0.0006953500000000, -0.0043235600000000, 0.0016216000000000 ] - [ -0.0283236200000000, 0.2901159400000000, 0.0135655400000000 ] - [ 0.0005901700000000, 0.0061525800000000, -0.0011281700000000 ] - [ 0.0251902900000000, 0.0016585900000000, -0.0044639900000000 ] - [ -0.0100577300000000, 0.0002573500000000, -0.0131969000000000 ] - [ 0.0078583100000000, 0.0003807800000000, 0.0044991400000000 ] - [ -0.0042306200000000, 0.0038822800000000, 0.0132983500000000 ] - [ 0.0013242000000000, -0.0008248100000000, -0.0003826600000000 ] - [ -0.0008140200000000, -0.0022244900000000, -0.0001375800000000 ] - [ -0.0008505100000000, -0.0036409700000000, -0.0010019000000000 ] - [ -0.0000620800000000, -0.0026194200000000, -0.0003170900000000 ] - [ -0.0008604500000000, -0.0028971400000000, 0.0002205700000000 ] - [ 0.0003335700000000, -0.0019499000000000, 0.0000089400000000 ] - [ -0.0019523900000000, -0.0093695600000000, -0.0010963700000000 ] - [ 0.0010837500000000, -0.0031140300000000, -0.0008805300000000 ] - [ -0.0154353300000000, -0.0387176600000000, -0.0203712300000000 ] - [ 0.0039529600000000, 0.0017889700000000, 0.0015163900000000 ] - [ -0.0028973400000000, 0.0072613600000000, -0.0068818900000000 ] - [ 0.0064620000000000, 0.0055416800000000, -0.0059775500000000 ] - [ -0.0000327200000000, -0.0035631300000000, 0.0000801200000000 ] - [ 0.0006333600000000, -0.0053404100000000, -0.0001401700000000 ] - [ 0.0012163300000000, -0.0036391700000000, -0.0008909100000000 ] - [ -0.0007872200000000, -0.0032373400000000, -0.0011844300000000 ] - [ -0.0038207100000000, -0.0041264700000000, -0.0049431400000000 ] - [ 0.0027587400000000, -0.0015349400000000, -0.0012046700000000 ] - [ 0.0020113900000000, 0.0005153800000000, 0.0011687800000000 ] - [ -0.0014995800000000, 0.0004001800000000, -0.0022408200000000 ] - [ 0.0119748600000000, 0.0024049700000000, 0.0065788800000000 ] - [ -0.0067211900000000, -0.0001644900000000, 0.0010182500000000 ] - [ -0.0008274000000000, 0.0023151000000000, -0.0005284600000000 ] - [ 0.0009064000000000, 0.0026627600000000, -0.0012809000000000 ] - [ -0.0078591300000000, -0.0090675900000000, 0.0053529600000000 ] - [ -0.0001788600000000, -0.0099638300000000, -0.0001489800000000 ] - [ 0.0005239900000000, 0.0185222900000000, -0.0013151500000000 ] - [ -0.0008306800000000, 0.0016201700000000, -0.0003146700000000 ] - [ 0.0000594900000000, 0.0020957300000000, 0.0016669300000000 ] - [ 0.0011520800000000, 0.0010955300000000, 0.0011777600000000 ] - [ 0.0003652700000000, 0.0014804500000000, -0.0002221800000000 ] - [ -0.0002690400000000, 0.0020681600000000, -0.0002913600000000 ] - [ 0.0024262500000000, 0.0025352400000000, -0.0006087400000000 ] - [ -0.0001114000000000, 0.0031307300000000, 0.0003959300000000 ] - [ -0.0001341000000000, 0.0079838100000000, 0.0008262200000000 ] - [ -0.0001515800000000, 0.0029199300000000, 0.0005979400000000 ] - [ -0.0006120800000000, 0.0032840700000000, 0.0003623400000000 ] - [ 0.0007067400000000, 0.0041914200000000, 0.0014410000000000 ] - [ 0.0226379000000000, -0.0674541200000000, -0.0438708800000000 ] - [ 0.0020654100000000, -0.0002225800000000, 0.0016583100000000 ] - [ -0.0007401300000000, 0.0008515600000000, 0.0007869500000000 ] - [ -0.0001402200000000, 0.0012319900000000, 0.0005182900000000 ] - [ 0.0100581600000000, -0.0368015700000000, 0.0187775400000000 ] - [ 0.0038135600000000, -0.0008757300000000, -0.0021225800000000 ] - [ 0.0005908000000000, 0.0038554400000000, -0.0000787000000000 ] - [ 0.0003661400000000, 0.0029478500000000, -0.0001299100000000 ] - [ -0.0068858100000000, -0.1018291900000000, 0.0058858200000000 ] - [ -0.0001133900000000, -0.0057384700000000, -0.0001851700000000 ] - [ 0.0017947000000000, -0.0026499200000000, -0.0050114500000000 ] - [ -0.0013782900000000, -0.0046755900000000, -0.0017307100000000 ] - [ -0.0036759900000000, 0.0043787500000000, 0.0014603800000000 ] - [ 0.0026351800000000, 0.0032640800000000, 0.0023798700000000 ] - [ -0.0010668700000000, 0.0034233800000000, 0.0106377100000000 ] - [ -0.0008502500000000, -0.0013962500000000, 0.0010270500000000 ] - [ -0.0055907600000000, -0.0071813900000000, -0.0013084100000000 ] - [ 0.0001585000000000, -0.0085791700000000, 0.0014742700000000 ] - [ -0.0001761100000000, 0.0041822600000000, 0.0006246500000000 ] - [ -0.0008768600000000, 0.0019884000000000, -0.0001930600000000 ] - [ -0.0007292800000000, 0.0008138200000000, -0.0003296900000000 ] - [ 0.0004578200000000, 0.0008432800000000, -0.0002827200000000 ] - [ 0.0012542000000000, -0.0006783900000000, -0.0001528400000000 ] - [ 0.0020921000000000, 0.0013110800000000, -0.0025254200000000 ] - [ -0.0069987300000000, -0.0034446200000000, -0.0017578500000000 ] - [ -0.0056617000000000, -0.0359120200000000, -0.0032227100000000 ] - [ -0.0005589000000000, 0.0029790000000000, -0.0009944200000000 ] - [ -0.0005662600000000, 0.0014072000000000, -0.0004088300000000 ]- atom: 9 displacement: [ -0.0001950079929100, 0.0000000000000000, 0.0099980984133335 ] forces: - [ -0.0004051100000000, 0.0000084400000000, -0.0004044100000000 ] - [ 0.0001477400000000, 0.0003669600000000, -0.0007911600000000 ] - [ -0.0041246400000000, 0.0011152700000000, 0.0477095600000000 ] - [ 0.0022782100000000, 0.0009490500000000, 0.0080499400000000 ] - [ -0.0035241800000000, -0.0025181100000000, 0.0005720800000000 ] - [ 0.0055239100000000, -0.0065903000000000, 0.0057679600000000 ] - [ 0.0027635200000000, 0.0037740600000000, -0.0086576600000000 ] - [ -0.0008408200000000, 0.0002629200000000, -0.0030915400000000 ] - [ -0.0133398000000000, -0.0075322400000000, -0.3498602300000000 ] - [ -0.0002467700000000, 0.0015218900000000, 0.0009424800000000 ] - [ -0.0355952600000000, -0.0000352900000000, 0.0037788100000000 ] - [ 0.0146285500000000, -0.0000312800000000, -0.0106993900000000 ] - [ 0.0430105500000000, -0.0023415300000000, 0.0045679700000000 ] - [ -0.0174244800000000, -0.0042122500000000, -0.0011815300000000 ] - [ 0.0007985600000000, -0.0065323900000000, 0.0013651900000000 ] - [ -0.0005373100000000, -0.0039140300000000, 0.0000728500000000 ] - [ -0.0006857100000000, -0.0013631700000000, 0.0037748800000000 ] - [ -0.0000785400000000, -0.0006912000000000, 0.0013101500000000 ] - [ -0.0000795300000000, 0.0002167200000000, 0.0004044300000000 ] - [ 0.0001200600000000, 0.0002125000000000, 0.0001484500000000 ] - [ -0.0007836500000000, -0.0010025700000000, 0.0003918200000000 ] - [ 0.0001549700000000, 0.0001234900000000, -0.0002440500000000 ] - [ -0.0070361400000000, 0.0014455900000000, -0.0134577600000000 ] - [ 0.0002217800000000, 0.0006213500000000, -0.0011198300000000 ] - [ 0.0009685000000000, 0.0064977700000000, -0.0020915800000000 ] - [ -0.0020602000000000, 0.0057801500000000, -0.0011875200000000 ] - [ 0.0000854900000000, 0.0004516200000000, 0.0002658700000000 ] - [ 0.0005246100000000, 0.0002219500000000, 0.0000538800000000 ] - [ -0.0002510400000000, 0.0034948500000000, 0.0041054700000000 ] - [ 0.0001740800000000, 0.0008249700000000, 0.0022923400000000 ] - [ -0.0009129900000000, 0.0011087400000000, 0.0019329800000000 ] - [ 0.0000441600000000, 0.0005856900000000, 0.0004276200000000 ] - [ 0.0010133200000000, -0.0011735600000000, -0.0007107800000000 ] - [ 0.0008601600000000, -0.0011281400000000, -0.0010620700000000 ] - [ 0.0033392500000000, -0.0016471400000000, 0.0032541700000000 ] - [ -0.0008812100000000, -0.0006302200000000, 0.0010470600000000 ] - [ -0.0004769900000000, 0.0014413700000000, 0.0009344100000000 ] - [ -0.0012024000000000, 0.0010179400000000, 0.0015185800000000 ] - [ 0.0074906800000000, 0.0035666500000000, -0.0068885700000000 ] - [ -0.0026352600000000, -0.0013758800000000, -0.0057790600000000 ] - [ 0.0006031600000000, 0.0048931000000000, -0.0010087200000000 ] - [ -0.0000146900000000, -0.0004399600000000, 0.0003202300000000 ] - [ -0.0003558300000000, -0.0018155600000000, -0.0017576800000000 ] - [ -0.0002095600000000, -0.0003158600000000, -0.0004370300000000 ] - [ -0.0001581300000000, 0.0000045700000000, -0.0007238400000000 ] - [ -0.0003129500000000, 0.0000761500000000, -0.0005985600000000 ] - [ 0.0010407300000000, -0.0000184100000000, -0.0000442800000000 ] - [ 0.0001451000000000, -0.0000579900000000, 0.0001155800000000 ] - [ 0.0003729200000000, -0.0011996100000000, 0.0007103200000000 ] - [ 0.0000235400000000, -0.0000607900000000, 0.0004395200000000 ] - [ 0.0000200100000000, -0.0016313100000000, 0.0001927000000000 ] - [ -0.0006854000000000, -0.0006141400000000, -0.0002291500000000 ] - [ -0.0289685800000000, 0.0424923900000000, 0.0905880200000000 ] - [ 0.0023408400000000, 0.0011696600000000, 0.0027938500000000 ] - [ -0.0000586700000000, 0.0008747700000000, -0.0024641800000000 ] - [ 0.0001366400000000, 0.0005877100000000, -0.0010341700000000 ] - [ 0.0400385000000000, -0.0182496400000000, 0.1259062000000000 ] - [ -0.0004309100000000, 0.0005893600000000, 0.0020501400000000 ] - [ 0.0003178300000000, 0.0009854100000000, -0.0009240600000000 ] - [ 0.0002493900000000, 0.0006283200000000, -0.0004947500000000 ] - [ 0.0052412800000000, -0.0192525700000000, 0.0507491700000000 ] - [ 0.0004462100000000, -0.0011780000000000, 0.0002982500000000 ] - [ 0.0002965500000000, -0.0003643500000000, -0.0014749300000000 ] - [ 0.0000701600000000, -0.0012159800000000, -0.0014455200000000 ] - [ 0.0100547600000000, -0.0077955700000000, -0.0014745300000000 ] - [ -0.0025930600000000, 0.0002191900000000, 0.0014792600000000 ] - [ 0.0004568800000000, -0.0019714700000000, 0.0034948400000000 ] - [ -0.0011452500000000, -0.0014997300000000, 0.0005590900000000 ] - [ -0.0109919400000000, -0.0057389500000000, -0.0058554700000000 ] - [ 0.0033312500000000, -0.0013864900000000, -0.0036978800000000 ] - [ -0.0000495800000000, -0.0004434100000000, -0.0007202000000000 ] - [ -0.0002038100000000, -0.0005242300000000, -0.0004963800000000 ] - [ 0.0005383600000000, 0.0037484000000000, -0.0020607400000000 ] - [ -0.0003796400000000, 0.0015381900000000, 0.0000314500000000 ] - [ -0.0097207100000000, 0.0070114200000000, -0.0068862200000000 ] - [ 0.0027911700000000, 0.0022576800000000, -0.0013356100000000 ] - [ -0.0015821800000000, 0.0017683500000000, 0.0110463000000000 ] - [ -0.0017206300000000, 0.0038088800000000, 0.0579966600000000 ] - [ -0.0000670700000000, 0.0002737900000000, -0.0007494900000000 ] - [ 0.0001072700000000, -0.0000440000000000, -0.0003199900000000 ]- atom: 9 displacement: [ 0.0001950079929100, 0.0000000000000000, -0.0099980984133335 ] forces: - [ -0.0000886300000000, -0.0000135000000000, 0.0004403300000000 ] - [ -0.0006391800000000, -0.0003693300000000, 0.0008213300000000 ] - [ 0.0046589100000000, -0.0011699500000000, -0.0477431500000000 ] - [ -0.0017600000000000, -0.0009616900000000, -0.0080950200000000 ] - [ 0.0030225200000000, 0.0025440100000000, -0.0005028700000000 ] - [ -0.0059977500000000, 0.0066496900000000, -0.0055987200000000 ] - [ -0.0022943100000000, -0.0037409700000000, 0.0086159000000000 ] - [ 0.0013498200000000, -0.0002608200000000, 0.0030440700000000 ] - [ 0.0039466900000000, 0.0139028900000000, 0.3454134000000000 ] - [ -0.0001755700000000, -0.0013377700000000, -0.0003681400000000 ] - [ 0.0360279100000000, -0.0001267400000000, -0.0037533200000000 ] - [ -0.0143614500000000, -0.0000306800000000, 0.0112083000000000 ] - [ -0.0425337900000000, 0.0024006700000000, -0.0035339500000000 ] - [ 0.0175152700000000, 0.0042430800000000, 0.0016128500000000 ] - [ -0.0004928400000000, 0.0065328400000000, -0.0010876700000000 ] - [ 0.0008301600000000, 0.0039244100000000, 0.0002003600000000 ] - [ 0.0001596200000000, 0.0011795400000000, -0.0031911800000000 ] - [ -0.0004293400000000, 0.0005135300000000, -0.0007356500000000 ] - [ -0.0001459700000000, -0.0001257200000000, -0.0010798000000000 ] - [ -0.0003400300000000, -0.0001238900000000, -0.0008297900000000 ] - [ 0.0004754600000000, 0.0009510200000000, -0.0006554200000000 ] - [ -0.0004438900000000, -0.0001547700000000, -0.0000325300000000 ] - [ 0.0068178400000000, -0.0015466900000000, 0.0125821900000000 ] - [ -0.0004253500000000, -0.0007087700000000, 0.0004367500000000 ] - [ -0.0004403200000000, -0.0066255500000000, 0.0015001700000000 ] - [ 0.0025443900000000, -0.0058973600000000, 0.0005791100000000 ] - [ 0.0004292400000000, -0.0002845200000000, -0.0008326100000000 ] - [ -0.0000070900000000, -0.0000523300000000, -0.0006214900000000 ] - [ 0.0004670200000000, -0.0035957300000000, -0.0034204500000000 ] - [ 0.0000550500000000, -0.0009108900000000, -0.0015993400000000 ] - [ 0.0006274100000000, -0.0010590500000000, -0.0022023300000000 ] - [ -0.0003333600000000, -0.0005516900000000, -0.0007042700000000 ] - [ 0.0000167300000000, 0.0015302600000000, 0.0006498900000000 ] - [ 0.0001767200000000, 0.0014809900000000, 0.0009865000000000 ] - [ -0.0035120200000000, 0.0013734200000000, -0.0039105000000000 ] - [ 0.0006676400000000, 0.0003756900000000, -0.0017187400000000 ] - [ 0.0001189500000000, -0.0016641400000000, -0.0013091200000000 ] - [ 0.0008492200000000, -0.0012434100000000, -0.0018956000000000 ] - [ -0.0078961900000000, -0.0033371200000000, 0.0065444300000000 ] - [ 0.0023400100000000, 0.0016116200000000, 0.0053909600000000 ] - [ -0.0010505800000000, -0.0048268800000000, 0.0004215000000000 ] - [ -0.0004472300000000, 0.0003755800000000, -0.0009136700000000 ] - [ 0.0005558000000000, 0.0015475300000000, 0.0024424600000000 ] - [ 0.0003990300000000, 0.0000494400000000, 0.0011252700000000 ] - [ -0.0000362600000000, 0.0002613600000000, 0.0000293300000000 ] - [ 0.0001161700000000, 0.0001913600000000, -0.0000959200000000 ] - [ 0.0000028200000000, -0.0003429500000000, -0.0000217300000000 ] - [ 0.0008838300000000, -0.0003041600000000, -0.0001763000000000 ] - [ -0.0000173900000000, 0.0014345200000000, -0.0003174700000000 ] - [ 0.0003284700000000, 0.0002935000000000, -0.0000552700000000 ] - [ -0.0006804100000000, 0.0009492000000000, 0.0004249800000000 ] - [ 0.0000236600000000, -0.0000732700000000, 0.0008439200000000 ] - [ 0.0312812200000000, -0.0467079400000000, -0.0947633900000000 ] - [ -0.0034426000000000, -0.0015329500000000, -0.0027686700000000 ] - [ 0.0001624500000000, -0.0010598700000000, 0.0026670300000000 ] - [ -0.0000241900000000, -0.0007839700000000, 0.0012309200000000 ] - [ -0.0346173400000000, 0.0164079100000000, -0.1164446000000000 ] - [ 0.0005416100000000, -0.0003124500000000, -0.0013010500000000 ] - [ 0.0003423000000000, -0.0002903000000000, 0.0003019100000000 ] - [ 0.0004063000000000, 0.0000640600000000, -0.0001267000000000 ] - [ -0.0045331400000000, 0.0184598200000000, -0.0511627900000000 ] - [ 0.0001949700000000, 0.0004773700000000, -0.0009207400000000 ] - [ 0.0000633800000000, 0.0001058800000000, 0.0018507100000000 ] - [ 0.0002787100000000, 0.0009720300000000, 0.0018202200000000 ] - [ -0.0095669000000000, 0.0077379400000000, 0.0021200300000000 ] - [ 0.0030574100000000, -0.0003075600000000, -0.0009303800000000 ] - [ -0.0005636400000000, 0.0017452700000000, -0.0036894800000000 ] - [ 0.0010269600000000, 0.0013006000000000, -0.0007580400000000 ] - [ 0.0102828000000000, 0.0064105000000000, 0.0064236800000000 ] - [ -0.0039338500000000, 0.0020710400000000, 0.0043366300000000 ] - [ -0.0004046300000000, 0.0004937900000000, 0.0001234100000000 ] - [ -0.0002530000000000, 0.0005840300000000, -0.0000979100000000 ] - [ -0.0015669800000000, -0.0033589800000000, 0.0021150500000000 ] - [ -0.0006502100000000, -0.0011671600000000, 0.0000319300000000 ] - [ 0.0101924400000000, -0.0069599100000000, 0.0074353700000000 ] - [ -0.0023046100000000, -0.0021788900000000, 0.0019761600000000 ] - [ 0.0014707000000000, -0.0015984200000000, -0.0108006700000000 ] - [ 0.0019606300000000, -0.0036139700000000, -0.0576285600000000 ] - [ -0.0000406700000000, -0.0000741600000000, 0.0005353800000000 ] - [ -0.0002175200000000, 0.0002404700000000, 0.0001125600000000 ]- atom: 11 displacement: [ 0.0099999932521795, 0.0000000000000000, -0.0000116170720741 ] forces: - [ -0.0016077300000000, -0.0005153000000000, 0.0001884100000000 ] - [ 0.0015194300000000, 0.0002967000000000, -0.0007429800000000 ] - [ 0.0054723200000000, -0.0062862600000000, 0.0202973200000000 ] - [ 0.0122022600000000, 0.0036347200000000, -0.0097769800000000 ] - [ -0.0020431200000000, 0.0089619300000000, 0.0016083700000000 ] - [ 0.0051877300000000, -0.0043152100000000, 0.0024480900000000 ] - [ 0.0030119200000000, 0.0157925100000000, -0.0054686800000000 ] - [ 0.0077791900000000, -0.0094988000000000, 0.0046734200000000 ] - [ 0.0277595500000000, -0.0248455000000000, -0.0348384700000000 ] - [ 0.0253416800000000, 0.0103732300000000, 0.0154756100000000 ] - [ -0.3165359500000000, 0.0146547500000000, 0.0127075900000000 ] - [ 0.0158832700000000, 0.0005912500000000, 0.0008667000000000 ] - [ -0.0279769900000000, -0.0029107500000000, 0.0139288100000000 ] - [ 0.0070113200000000, 0.0009464700000000, -0.0027467700000000 ] - [ -0.0041322900000000, -0.0016032000000000, -0.0009384000000000 ] - [ 0.0024886200000000, 0.0009652000000000, -0.0003842800000000 ] - [ 0.0000694200000000, 0.0010900500000000, 0.0009302000000000 ] - [ 0.0017466900000000, -0.0010387200000000, -0.0003583300000000 ] - [ -0.0016883600000000, 0.0000445300000000, -0.0005337200000000 ] - [ 0.0012958600000000, -0.0000022300000000, -0.0004668700000000 ] - [ -0.0027245100000000, -0.0004328300000000, 0.0018552000000000 ] - [ 0.0017420100000000, 0.0006757800000000, -0.0009355100000000 ] - [ -0.0056663900000000, -0.0045822500000000, -0.0040960900000000 ] - [ 0.0032189300000000, 0.0020196300000000, 0.0021782400000000 ] - [ -0.0005886900000000, 0.0035934900000000, -0.0010770100000000 ] - [ 0.0012337500000000, -0.0029773200000000, -0.0000822300000000 ] - [ -0.0004106300000000, -0.0017171600000000, -0.0009275600000000 ] - [ 0.0005359300000000, 0.0013072300000000, 0.0000131800000000 ] - [ -0.0066327200000000, -0.0054131000000000, -0.0095830500000000 ] - [ 0.0034636600000000, 0.0017207400000000, 0.0023786100000000 ] - [ -0.0029898300000000, -0.0009979100000000, 0.0001017700000000 ] - [ 0.0020853500000000, 0.0005918000000000, -0.0004726100000000 ] - [ 0.0021534400000000, -0.0007700300000000, 0.0001062400000000 ] - [ -0.0008515000000000, 0.0007327800000000, 0.0000009400000000 ] - [ 0.0034480500000000, -0.0008238600000000, 0.0004505700000000 ] - [ -0.0032413700000000, 0.0005949000000000, -0.0013664200000000 ] - [ 0.0012684100000000, 0.0009456100000000, -0.0003608700000000 ] - [ -0.0028585800000000, -0.0000298800000000, 0.0008824400000000 ] - [ 0.0452407600000000, 0.0049956600000000, -0.0121602200000000 ] - [ -0.0076658000000000, 0.0008226100000000, -0.0016613300000000 ] - [ 0.0009105000000000, 0.0022637300000000, -0.0008344100000000 ] - [ -0.0019006100000000, -0.0014015300000000, -0.0010744400000000 ] - [ 0.0062944400000000, -0.0015071200000000, 0.0014330100000000 ] - [ -0.0027617000000000, 0.0001776800000000, 0.0000102300000000 ] - [ 0.0010140200000000, 0.0003357900000000, 0.0001374800000000 ] - [ -0.0010221600000000, -0.0000501100000000, -0.0005623300000000 ] - [ 0.0023634800000000, -0.0002183700000000, -0.0009441300000000 ] - [ -0.0008265700000000, -0.0002895100000000, 0.0003775900000000 ] - [ 0.0010568000000000, -0.0038223300000000, 0.0006699300000000 ] - [ -0.0002958100000000, 0.0016726000000000, -0.0002714200000000 ] - [ -0.0007259700000000, 0.0064429100000000, 0.0011420600000000 ] - [ -0.0020173000000000, -0.0017404300000000, -0.0011282200000000 ] - [ 0.1262402200000000, -0.0026962000000000, -0.0118636100000000 ] - [ -0.0130092400000000, 0.0004806400000000, 0.0019484400000000 ] - [ -0.0002645100000000, 0.0019775400000000, 0.0030596800000000 ] - [ -0.0005127200000000, -0.0006984400000000, -0.0002219200000000 ] - [ 0.0108561900000000, 0.0027232800000000, 0.0118516200000000 ] - [ -0.0059878600000000, 0.0000425500000000, -0.0014448400000000 ] - [ 0.0004837100000000, -0.0001137600000000, -0.0003095800000000 ] - [ -0.0002287300000000, 0.0009336400000000, -0.0002147900000000 ] - [ -0.0020162700000000, 0.0149765800000000, 0.0031249500000000 ] - [ -0.0029331100000000, -0.0059512900000000, -0.0009428600000000 ] - [ 0.0025434900000000, 0.0017546400000000, 0.0001311300000000 ] - [ -0.0012181700000000, -0.0009826000000000, 0.0000594900000000 ] - [ 0.0500741600000000, -0.0306347800000000, 0.0022833400000000 ] - [ -0.0055173000000000, -0.0025189000000000, -0.0002288700000000 ] - [ 0.0007016600000000, 0.0011727100000000, 0.0012650800000000 ] - [ -0.0008596200000000, -0.0008107100000000, -0.0006525100000000 ] - [ 0.0024518100000000, -0.0036687300000000, -0.0042467500000000 ] - [ -0.0042710400000000, 0.0025533400000000, -0.0012334100000000 ] - [ 0.0003806200000000, 0.0006080400000000, -0.0002065000000000 ] - [ -0.0008030100000000, -0.0002186100000000, -0.0001735000000000 ] - [ 0.0016158800000000, -0.0001770700000000, 0.0001240600000000 ] - [ -0.0026143100000000, 0.0000870900000000, 0.0003596900000000 ] - [ 0.0033032500000000, 0.0031506500000000, -0.0040277300000000 ] - [ -0.0021369400000000, -0.0016426100000000, 0.0007874300000000 ] - [ 0.0625952700000000, 0.0096623300000000, 0.0050702300000000 ] - [ -0.0139733600000000, 0.0010186300000000, 0.0049040600000000 ] - [ 0.0004177400000000, 0.0001001900000000, -0.0004944200000000 ] - [ -0.0009520000000000, 0.0004172700000000, 0.0002233700000000 ]- atom: 11 displacement: [ -0.0099999932521795, 0.0000000000000000, 0.0000116170720741 ] forces: - [ 0.0011128000000000, 0.0005108400000000, -0.0001520300000000 ] - [ -0.0020291600000000, -0.0003058000000000, 0.0007838600000000 ] - [ -0.0050041400000000, 0.0063227900000000, -0.0205320000000000 ] - [ -0.0117959000000000, -0.0035827200000000, 0.0096121800000000 ] - [ 0.0015277900000000, -0.0090490300000000, -0.0016185800000000 ] - [ -0.0057362800000000, 0.0043738500000000, -0.0024304700000000 ] - [ -0.0024998800000000, -0.0158883300000000, 0.0054925400000000 ] - [ -0.0073685400000000, 0.0094838200000000, -0.0047173400000000 ] - [ -0.0288802400000000, 0.0252355000000000, 0.0356945400000000 ] - [ -0.0258063200000000, -0.0099914400000000, -0.0145548200000000 ] - [ 0.3296374200000000, -0.0154977400000000, -0.0157390300000000 ] - [ -0.0155367200000000, -0.0006447700000000, -0.0005979600000000 ] - [ 0.0283967900000000, 0.0029615600000000, -0.0132995500000000 ] - [ -0.0068351300000000, -0.0008677500000000, 0.0034511500000000 ] - [ 0.0044472900000000, 0.0016651000000000, 0.0012302100000000 ] - [ -0.0022233000000000, -0.0009225700000000, 0.0006691200000000 ] - [ -0.0005786100000000, -0.0012662200000000, -0.0003819500000000 ] - [ -0.0022782500000000, 0.0008699200000000, 0.0009200100000000 ] - [ 0.0014868600000000, 0.0000365000000000, -0.0001538300000000 ] - [ -0.0015268600000000, 0.0000826200000000, -0.0002228100000000 ] - [ 0.0024701100000000, 0.0003897300000000, -0.0021547900000000 ] - [ -0.0020413000000000, -0.0007352400000000, 0.0006505800000000 ] - [ 0.0055162300000000, 0.0045501600000000, 0.0034427700000000 ] - [ -0.0034590200000000, -0.0020996000000000, -0.0028793200000000 ] - [ 0.0010984000000000, -0.0037868900000000, 0.0005121000000000 ] - [ -0.0007342300000000, 0.0028349100000000, -0.0004857700000000 ] - [ 0.0009147200000000, 0.0018971400000000, 0.0003696900000000 ] - [ -0.0000291600000000, -0.0011499100000000, -0.0005861900000000 ] - [ 0.0070326200000000, 0.0053478900000000, 0.0102968700000000 ] - [ -0.0032649700000000, -0.0018376800000000, -0.0017102100000000 ] - [ 0.0027379500000000, 0.0010626800000000, -0.0003936700000000 ] - [ -0.0023848900000000, -0.0005474700000000, 0.0002005300000000 ] - [ -0.0011557200000000, 0.0011225200000000, -0.0001750500000000 ] - [ 0.0018817600000000, -0.0003929100000000, -0.0000726000000000 ] - [ -0.0036783200000000, 0.0005475500000000, -0.0011313100000000 ] - [ 0.0030638700000000, -0.0008844100000000, 0.0006932400000000 ] - [ -0.0016257800000000, -0.0012115900000000, -0.0000367300000000 ] - [ 0.0025226000000000, -0.0002171200000000, -0.0012828500000000 ] - [ -0.0456934600000000, -0.0046036600000000, 0.0117348500000000 ] - [ 0.0073271100000000, -0.0005845600000000, 0.0012916600000000 ] - [ -0.0013644500000000, -0.0023417900000000, 0.0002616700000000 ] - [ 0.0014832600000000, 0.0013606400000000, 0.0005129400000000 ] - [ -0.0061105900000000, 0.0012651500000000, -0.0007218300000000 ] - [ 0.0029817500000000, -0.0004461100000000, 0.0006763800000000 ] - [ -0.0012259300000000, -0.0000557500000000, -0.0008243900000000 ] - [ 0.0008299200000000, 0.0003329600000000, -0.0001141600000000 ] - [ -0.0013690600000000, -0.0001247300000000, 0.0008886100000000 ] - [ 0.0018519700000000, -0.0000556700000000, -0.0004478600000000 ] - [ -0.0007104500000000, 0.0040840200000000, -0.0002659800000000 ] - [ 0.0006504400000000, -0.0014255000000000, 0.0006754500000000 ] - [ 0.0000673600000000, -0.0072601700000000, -0.0005224600000000 ] - [ 0.0013716800000000, 0.0010621400000000, 0.0017541800000000 ] - [ -0.1399680500000000, 0.0028542600000000, 0.0137505800000000 ] - [ 0.0119481400000000, -0.0008426300000000, -0.0018890200000000 ] - [ 0.0003668100000000, -0.0022045900000000, -0.0028995500000000 ] - [ 0.0006157600000000, 0.0004951100000000, 0.0004254800000000 ] - [ -0.0107002100000000, -0.0024920900000000, -0.0113864000000000 ] - [ 0.0062705600000000, 0.0002311200000000, 0.0021342900000000 ] - [ 0.0001645200000000, 0.0008207400000000, -0.0003114500000000 ] - [ 0.0008855100000000, -0.0002369800000000, -0.0004084400000000 ] - [ 0.0027023200000000, -0.0158806700000000, -0.0038142500000000 ] - [ 0.0036280500000000, 0.0052597700000000, 0.0003037000000000 ] - [ -0.0022087700000000, -0.0020304300000000, 0.0002751600000000 ] - [ 0.0016122300000000, 0.0007535300000000, 0.0003251600000000 ] - [ -0.0499805400000000, 0.0301662600000000, -0.0017212300000000 ] - [ 0.0059616200000000, 0.0025166700000000, 0.0008064900000000 ] - [ -0.0008096900000000, -0.0013957700000000, -0.0014738700000000 ] - [ 0.0007676600000000, 0.0006031400000000, 0.0004565900000000 ] - [ -0.0031276500000000, 0.0043875400000000, 0.0048689500000000 ] - [ 0.0036449600000000, -0.0018695800000000, 0.0018698700000000 ] - [ -0.0008270900000000, -0.0005672200000000, -0.0003727700000000 ] - [ 0.0003683600000000, 0.0002686900000000, -0.0004069400000000 ] - [ -0.0026474100000000, 0.0005245600000000, -0.0000560900000000 ] - [ 0.0016163600000000, 0.0002576100000000, -0.0002901100000000 ] - [ -0.0028862000000000, -0.0031121300000000, 0.0046171200000000 ] - [ 0.0025956200000000, 0.0016992500000000, -0.0002108400000000 ] - [ -0.0617864300000000, -0.0089371100000000, -0.0034379400000000 ] - [ 0.0139899400000000, -0.0007937100000000, -0.0046456300000000 ] - [ -0.0005234500000000, 0.0001094300000000, 0.0003016600000000 ] - [ 0.0008630700000000, -0.0002076700000000, -0.0004201000000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008554500000000, 0.0075444100000000, -0.0013526600000000 ] - [ -0.0006234200000000, 0.0053486600000000, -0.0005487900000000 ] - [ -0.0071299400000000, -0.0069571100000000, -0.0028691000000000 ] - [ 0.0135907000000000, -0.0130790200000000, -0.0099790900000000 ] - [ 0.0033164400000000, 0.0257723800000000, -0.0004161800000000 ] - [ -0.0004092200000000, 0.0039017800000000, 0.0001035200000000 ] - [ 0.0109157100000000, 0.0014010100000000, -0.0055973100000000 ] - [ -0.0198023300000000, 0.0144647100000000, -0.0197888500000000 ] - [ -0.0130883600000000, -0.0017146900000000, 0.0000916200000000 ] - [ 0.0148108000000000, -0.0001792400000000, 0.0006273600000000 ] - [ 0.0120729900000000, -0.2949843200000000, -0.0055342300000000 ] - [ 0.0007706200000000, -0.0050100100000000, 0.0000391100000000 ] - [ -0.0082113900000000, -0.0059025600000000, 0.0111677300000000 ] - [ 0.0037068300000000, -0.0023884300000000, -0.0002209100000000 ] - [ 0.0017714500000000, -0.0104245400000000, 0.0044695800000000 ] - [ -0.0007952700000000, -0.0070259100000000, 0.0003992900000000 ] - [ 0.0026208100000000, 0.0007794900000000, 0.0068526500000000 ] - [ -0.0055500200000000, 0.0021737700000000, 0.0041074000000000 ] - [ 0.0009789000000000, 0.0032876000000000, 0.0002051100000000 ] - [ -0.0003345000000000, 0.0031949800000000, 0.0003906100000000 ] - [ 0.0002673200000000, 0.0044199400000000, -0.0003469800000000 ] - [ -0.0008431300000000, 0.0063341900000000, 0.0010185600000000 ] - [ -0.0026461400000000, 0.0032665500000000, -0.0002705700000000 ] - [ 0.0008551600000000, 0.0042465600000000, 0.0005278900000000 ] - [ 0.0006169600000000, 0.0040485500000000, 0.0008059700000000 ] - [ 0.0001880900000000, 0.0014648400000000, 0.0002738900000000 ] - [ 0.0006579900000000, 0.0094105200000000, 0.0006919700000000 ] - [ 0.0003577900000000, 0.0031697200000000, -0.0004320500000000 ] - [ 0.0088835600000000, 0.0364605800000000, 0.0227386200000000 ] - [ -0.0027943600000000, -0.0027245200000000, -0.0008689500000000 ] - [ -0.0011696600000000, 0.0043577500000000, -0.0001184100000000 ] - [ 0.0004273700000000, 0.0055628300000000, -0.0010254300000000 ] - [ 0.0014569400000000, -0.0027757100000000, 0.0002019200000000 ] - [ 0.0001776200000000, -0.0019777000000000, 0.0003129100000000 ] - [ 0.0010544500000000, -0.0027350400000000, -0.0007289800000000 ] - [ -0.0010467000000000, -0.0013824100000000, -0.0007850400000000 ] - [ -0.0012367200000000, -0.0019971400000000, 0.0018499200000000 ] - [ 0.0005617300000000, -0.0006770300000000, 0.0031182100000000 ] - [ 0.0062557900000000, 0.0705929100000000, -0.0241136000000000 ] - [ -0.0009226300000000, 0.0003921600000000, -0.0028442500000000 ] - [ -0.0002639300000000, -0.0039954900000000, 0.0000065400000000 ] - [ -0.0019588200000000, -0.0062282900000000, -0.0014906900000000 ] - [ -0.0114991300000000, -0.0054752100000000, -0.0063142100000000 ] - [ 0.0048045800000000, -0.0007400000000000, -0.0008984900000000 ] - [ -0.0010268700000000, -0.0026422300000000, -0.0013675900000000 ] - [ 0.0000099200000000, -0.0012154700000000, -0.0006402100000000 ] - [ -0.0004250900000000, -0.0052785500000000, 0.0002359700000000 ] - [ 0.0004625700000000, -0.0025622100000000, -0.0000861300000000 ] - [ 0.0002135900000000, -0.0018838700000000, -0.0002602200000000 ] - [ 0.0002588500000000, -0.0073972100000000, 0.0006375900000000 ] - [ 0.0007603300000000, -0.0164728700000000, 0.0003989700000000 ] - [ -0.0003786700000000, -0.0018332000000000, 0.0000665600000000 ] - [ -0.0007702900000000, 0.0447172200000000, 0.0058658500000000 ] - [ -0.0025062300000000, 0.0065470500000000, 0.0015516800000000 ] - [ 0.0023006200000000, -0.0033894500000000, -0.0135184900000000 ] - [ -0.0005656500000000, 0.0012031800000000, -0.0011111900000000 ] - [ 0.0036229400000000, 0.0020790500000000, -0.0004704900000000 ] - [ -0.0053388800000000, 0.0008661300000000, 0.0022200500000000 ] - [ -0.0005732100000000, -0.0024797900000000, -0.0018415400000000 ] - [ 0.0012087700000000, -0.0027212000000000, -0.0008483700000000 ] - [ 0.0029038400000000, 0.0005476700000000, 0.0002888900000000 ] - [ -0.0023571500000000, -0.0041184000000000, -0.0020849800000000 ] - [ 0.0017027800000000, -0.0015310800000000, 0.0012367900000000 ] - [ -0.0022926400000000, -0.0032594800000000, 0.0022689000000000 ] - [ -0.0208600900000000, 0.1085013200000000, 0.0237084600000000 ] - [ 0.0005205600000000, 0.0057246700000000, 0.0006473000000000 ] - [ 0.0002172900000000, -0.0013362800000000, -0.0004426500000000 ] - [ -0.0008420000000000, -0.0020452900000000, -0.0006336100000000 ] - [ -0.0004912200000000, -0.0009366100000000, 0.0029791100000000 ] - [ -0.0010014200000000, -0.0003012200000000, 0.0006802300000000 ] - [ 0.0002347800000000, -0.0040898200000000, -0.0004957600000000 ] - [ 0.0003618800000000, -0.0045952600000000, -0.0002222400000000 ] - [ -0.0007356700000000, 0.0032837600000000, -0.0013651600000000 ] - [ 0.0011072500000000, 0.0047678300000000, 0.0011112200000000 ] - [ 0.0026302300000000, 0.0111228700000000, -0.0037683400000000 ] - [ 0.0006803800000000, 0.0057456900000000, 0.0010560600000000 ] - [ 0.0077027300000000, 0.0352762800000000, 0.0091886100000000 ] - [ 0.0000606600000000, 0.0011587600000000, 0.0017001700000000 ] - [ 0.0000023300000000, -0.0016621400000000, 0.0002024300000000 ] - [ 0.0015523800000000, -0.0030114000000000, -0.0003435300000000 ]- atom: 11 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0013611800000000, -0.0075891600000000, 0.0013973200000000 ] - [ 0.0001222100000000, -0.0053818800000000, 0.0005877600000000 ] - [ 0.0076905600000000, 0.0069229800000000, 0.0028973600000000 ] - [ -0.0130792300000000, 0.0131382000000000, 0.0099012500000000 ] - [ -0.0037394700000000, -0.0255968300000000, 0.0003457000000000 ] - [ -0.0001031000000000, -0.0039205300000000, -0.0000779200000000 ] - [ -0.0104873200000000, -0.0013738900000000, 0.0056024200000000 ] - [ 0.0204653500000000, -0.0145557100000000, 0.0198465900000000 ] - [ 0.0126131800000000, 0.0016881600000000, 0.0004822500000000 ] - [ -0.0154434800000000, 0.0002678800000000, 0.0000175300000000 ] - [ -0.0181375200000000, 0.3036310400000000, 0.0110240500000000 ] - [ -0.0004652200000000, 0.0049885500000000, 0.0002692300000000 ] - [ 0.0084709800000000, 0.0060063500000000, -0.0105917900000000 ] - [ -0.0034893400000000, 0.0024839500000000, 0.0008872000000000 ] - [ -0.0015086900000000, 0.0105373000000000, -0.0042236800000000 ] - [ 0.0010906300000000, 0.0071226500000000, -0.0001168000000000 ] - [ -0.0031571400000000, -0.0009443800000000, -0.0063482800000000 ] - [ 0.0050907800000000, -0.0023583300000000, -0.0035453000000000 ] - [ -0.0011995100000000, -0.0032238700000000, -0.0008995500000000 ] - [ 0.0001191000000000, -0.0031285200000000, -0.0010835000000000 ] - [ -0.0005535900000000, -0.0044888100000000, 0.0000636300000000 ] - [ 0.0005660000000000, -0.0064044600000000, -0.0013152600000000 ] - [ 0.0024237000000000, -0.0033468100000000, -0.0004096000000000 ] - [ -0.0010708800000000, -0.0043430500000000, -0.0012092200000000 ] - [ -0.0001012400000000, -0.0042691200000000, -0.0013554700000000 ] - [ 0.0003168200000000, -0.0016562200000000, -0.0008404600000000 ] - [ -0.0001594400000000, -0.0092769000000000, -0.0012577900000000 ] - [ 0.0001469600000000, -0.0030120200000000, -0.0001378400000000 ] - [ -0.0084411400000000, -0.0372030100000000, -0.0221848900000000 ] - [ 0.0030247500000000, 0.0026643200000000, 0.0015757400000000 ] - [ 0.0008913900000000, -0.0043232700000000, -0.0001670700000000 ] - [ -0.0007091900000000, -0.0055328400000000, 0.0007477800000000 ] - [ -0.0004491500000000, 0.0031435300000000, -0.0002678200000000 ] - [ 0.0008385200000000, 0.0023346200000000, -0.0003819800000000 ] - [ -0.0012588000000000, 0.0024560100000000, 0.0000384900000000 ] - [ 0.0008432600000000, 0.0011088500000000, 0.0001002000000000 ] - [ 0.0008833600000000, 0.0017500000000000, -0.0022511700000000 ] - [ -0.0009126300000000, 0.0004231700000000, -0.0035286500000000 ] - [ -0.0054563000000000, -0.0677952200000000, 0.0206637800000000 ] - [ 0.0005401900000000, -0.0001177200000000, 0.0024337300000000 ] - [ -0.0001706900000000, 0.0039608900000000, -0.0005828800000000 ] - [ 0.0015173300000000, 0.0062015500000000, 0.0009115900000000 ] - [ 0.0118169900000000, 0.0052731100000000, 0.0070755400000000 ] - [ -0.0046306800000000, 0.0004583500000000, 0.0015701800000000 ] - [ 0.0008286200000000, 0.0029326700000000, 0.0006886100000000 ] - [ -0.0002107200000000, 0.0015022800000000, -0.0000384000000000 ] - [ 0.0014401100000000, 0.0049356900000000, -0.0003011600000000 ] - [ 0.0005497400000000, 0.0022250700000000, 0.0000221000000000 ] - [ 0.0001395000000000, 0.0021379900000000, 0.0006646700000000 ] - [ 0.0000900000000000, 0.0076689100000000, -0.0002347400000000 ] - [ -0.0014490600000000, 0.0156731100000000, 0.0002199600000000 ] - [ -0.0002663700000000, 0.0011366800000000, 0.0005550600000000 ] - [ 0.0007840800000000, -0.0451383800000000, -0.0061250000000000 ] - [ 0.0014948700000000, -0.0069260700000000, -0.0015075900000000 ] - [ -0.0022371000000000, 0.0032383400000000, 0.0138237200000000 ] - [ 0.0006733100000000, -0.0014231500000000, 0.0013105800000000 ] - [ -0.0034435100000000, -0.0017835400000000, 0.0012231100000000 ] - [ 0.0056007000000000, -0.0005950600000000, -0.0014892800000000 ] - [ 0.0012298800000000, 0.0031961100000000, 0.0012308100000000 ] - [ -0.0005680600000000, 0.0034382900000000, 0.0002236600000000 ] - [ -0.0022415400000000, -0.0012244500000000, -0.0009347100000000 ] - [ 0.0030138000000000, 0.0034430600000000, 0.0014437600000000 ] - [ -0.0013514200000000, 0.0012903500000000, -0.0008275400000000 ] - [ 0.0026741700000000, 0.0030481300000000, -0.0018773900000000 ] - [ 0.0248527100000000, -0.1190133500000000, -0.0251995000000000 ] - [ -0.0000880800000000, -0.0058164900000000, -0.0000744100000000 ] - [ -0.0003123400000000, 0.0011350900000000, 0.0002441900000000 ] - [ 0.0007484600000000, 0.0018485700000000, 0.0004345300000000 ] - [ -0.0001642400000000, 0.0016841700000000, -0.0023385300000000 ] - [ 0.0003405300000000, 0.0010186700000000, -0.0000552500000000 ] - [ -0.0006764200000000, 0.0041547400000000, -0.0000820200000000 ] - [ -0.0008045700000000, 0.0046629200000000, -0.0003567000000000 ] - [ -0.0002748200000000, -0.0029602400000000, 0.0014457300000000 ] - [ -0.0021349700000000, -0.0044380200000000, -0.0010466600000000 ] - [ -0.0021900400000000, -0.0111385300000000, 0.0043692900000000 ] - [ -0.0002509100000000, -0.0057388700000000, -0.0004740500000000 ] - [ -0.0073876000000000, -0.0350668000000000, -0.0088927300000000 ] - [ -0.0000401200000000, -0.0009376800000000, -0.0014590000000000 ] - [ -0.0000997300000000, 0.0018789400000000, -0.0003981300000000 ] - [ -0.0016559700000000, 0.0032319500000000, 0.0001505800000000 ]- atom: 11 displacement: [ -0.0001950079929100, 0.0000000000000000, 0.0099980984133335 ] forces: - [ 0.0002311200000000, -0.0008541300000000, 0.0001221500000000 ] - [ -0.0007235100000000, -0.0002729900000000, 0.0002840000000000 ] - [ 0.0111714200000000, 0.0004890200000000, 0.0092674600000000 ] - [ -0.0146231900000000, 0.0032501300000000, 0.0243433200000000 ] - [ -0.0046488200000000, -0.0146747800000000, -0.0146897900000000 ] - [ -0.0009263600000000, 0.0020387200000000, -0.0025077500000000 ] - [ -0.0018823400000000, -0.0058872600000000, 0.0002129000000000 ] - [ -0.0005783200000000, -0.0044637900000000, -0.0048067800000000 ] - [ -0.0194846400000000, 0.0051745400000000, 0.0042727700000000 ] - [ 0.0453822400000000, 0.0132816900000000, -0.0100444100000000 ] - [ 0.0176496600000000, -0.0118160800000000, -0.2640598500000000 ] - [ 0.0005785900000000, -0.0001646600000000, -0.0007519000000000 ] - [ -0.0122732700000000, 0.0041534600000000, 0.0504779000000000 ] - [ 0.0025605000000000, -0.0007465100000000, 0.0024849400000000 ] - [ -0.0008615500000000, -0.0043199400000000, 0.0021247500000000 ] - [ -0.0004330300000000, -0.0002606700000000, 0.0000603600000000 ] - [ -0.0001113700000000, -0.0006383800000000, 0.0015094800000000 ] - [ -0.0002548600000000, -0.0003470200000000, 0.0002368800000000 ] - [ 0.0007963400000000, -0.0001485200000000, -0.0000419000000000 ] - [ -0.0008025600000000, -0.0004353300000000, 0.0000954900000000 ] - [ 0.0019100400000000, 0.0001917300000000, -0.0011993500000000 ] - [ -0.0009699000000000, -0.0011931800000000, -0.0001113800000000 ] - [ -0.0006480300000000, 0.0024875300000000, -0.0001614500000000 ] - [ 0.0002711500000000, 0.0042784300000000, 0.0008275300000000 ] - [ -0.0001876900000000, 0.0046642000000000, 0.0018015500000000 ] - [ -0.0002794900000000, 0.0010435300000000, 0.0002753100000000 ] - [ 0.0000890900000000, -0.0008203600000000, 0.0002565100000000 ] - [ 0.0003391600000000, -0.0006720900000000, -0.0003895100000000 ] - [ -0.0035085600000000, 0.0079891800000000, 0.0049719100000000 ] - [ -0.0005214500000000, -0.0012176800000000, -0.0006353900000000 ] - [ 0.0001658400000000, 0.0000776600000000, 0.0013818500000000 ] - [ -0.0005152000000000, -0.0008672900000000, 0.0031058300000000 ] - [ 0.0006736900000000, -0.0008473500000000, -0.0017464500000000 ] - [ 0.0015248400000000, 0.0000154900000000, -0.0009361600000000 ] - [ 0.0002221200000000, -0.0033145800000000, 0.0001584200000000 ] - [ 0.0000436300000000, -0.0010150500000000, -0.0006026300000000 ] - [ -0.0008427800000000, 0.0015274400000000, 0.0004707600000000 ] - [ 0.0009774500000000, 0.0001212100000000, -0.0003379600000000 ] - [ -0.0116919200000000, -0.0201434500000000, 0.0707277400000000 ] - [ 0.0014843700000000, -0.0012496500000000, 0.0028294600000000 ] - [ -0.0006068100000000, -0.0011172700000000, 0.0005328700000000 ] - [ 0.0028541000000000, -0.0006400500000000, 0.0027331700000000 ] - [ -0.0013287900000000, -0.0008272300000000, 0.0000315600000000 ] - [ 0.0008195400000000, 0.0002122600000000, 0.0008918500000000 ] - [ -0.0006561500000000, 0.0004633400000000, -0.0008901100000000 ] - [ 0.0002051200000000, 0.0003325700000000, -0.0002961200000000 ] - [ -0.0008451500000000, 0.0016479400000000, 0.0012382800000000 ] - [ 0.0011211400000000, 0.0000146200000000, -0.0002303100000000 ] - [ -0.0002959000000000, 0.0014978900000000, 0.0003675900000000 ] - [ 0.0000990300000000, -0.0001466000000000, 0.0005554900000000 ] - [ 0.0002723500000000, -0.0037143900000000, -0.0004530200000000 ] - [ 0.0000992000000000, 0.0006579000000000, 0.0007317500000000 ] - [ -0.0029849200000000, 0.0065146500000000, 0.0457078700000000 ] - [ -0.0063714400000000, 0.0012692500000000, 0.0059273100000000 ] - [ -0.0000432500000000, 0.0013262100000000, 0.0006622600000000 ] - [ -0.0000260200000000, 0.0002306600000000, 0.0002128800000000 ] - [ 0.0090603300000000, -0.0008852500000000, -0.0054501400000000 ] - [ -0.0121048700000000, 0.0002403300000000, -0.0091450100000000 ] - [ 0.0001340800000000, 0.0008311900000000, -0.0006173500000000 ] - [ 0.0004001700000000, 0.0008317000000000, -0.0003692600000000 ] - [ 0.0014069300000000, -0.0045504500000000, 0.0007036100000000 ] - [ -0.0045403000000000, -0.0113232900000000, 0.0055298400000000 ] - [ -0.0018962200000000, 0.0003891200000000, -0.0005510400000000 ] - [ 0.0034306500000000, 0.0025367500000000, -0.0026995900000000 ] - [ 0.0043924800000000, 0.0179093700000000, 0.0453816200000000 ] - [ 0.0008806800000000, 0.0020456700000000, 0.0007540700000000 ] - [ 0.0000711500000000, -0.0008969400000000, -0.0010173200000000 ] - [ -0.0007795700000000, -0.0012416000000000, -0.0009200200000000 ] - [ -0.0009847800000000, -0.0056191800000000, -0.0115446100000000 ] - [ -0.0005712400000000, -0.0004554600000000, -0.0016887400000000 ] - [ -0.0003692100000000, 0.0000457800000000, -0.0006601200000000 ] - [ -0.0001288000000000, 0.0004754200000000, -0.0010301900000000 ] - [ 0.0004962600000000, 0.0012097300000000, -0.0009762500000000 ] - [ -0.0003397100000000, -0.0000979200000000, -0.0001232100000000 ] - [ 0.0001345000000000, 0.0052301800000000, -0.0128546000000000 ] - [ -0.0006827500000000, 0.0004840000000000, -0.0022245300000000 ] - [ -0.0000887300000000, 0.0094096900000000, 0.0619523900000000 ] - [ 0.0004218200000000, 0.0007312200000000, 0.0008228300000000 ] - [ -0.0005122300000000, 0.0001433800000000, -0.0000070900000000 ] - [ 0.0005549000000000, 0.0004215800000000, -0.0002652000000000 ]- atom: 11 displacement: [ 0.0001950079929100, 0.0000000000000000, -0.0099980984133335 ] forces: - [ -0.0007291000000000, 0.0008546900000000, -0.0000837700000000 ] - [ 0.0002246800000000, 0.0002794100000000, -0.0002480800000000 ] - [ -0.0108425800000000, -0.0004814300000000, -0.0093531300000000 ] - [ 0.0152868800000000, -0.0031873500000000, -0.0245069900000000 ] - [ 0.0041444000000000, 0.0148007400000000, 0.0147036100000000 ] - [ 0.0004335300000000, -0.0020281000000000, 0.0025538200000000 ] - [ 0.0024043800000000, 0.0059315000000000, -0.0003000400000000 ] - [ 0.0010611900000000, 0.0045037700000000, 0.0046844900000000 ] - [ 0.0188298800000000, -0.0049484100000000, -0.0038970800000000 ] - [ -0.0457594700000000, -0.0131282600000000, 0.0106618500000000 ] - [ -0.0227043100000000, 0.0053041100000000, 0.2617356000000000 ] - [ -0.0002709400000000, 0.0000904300000000, 0.0010605000000000 ] - [ 0.0127022600000000, -0.0038628100000000, -0.0493571400000000 ] - [ -0.0023367900000000, 0.0008189900000000, -0.0018173000000000 ] - [ 0.0011352600000000, 0.0043077300000000, -0.0018331600000000 ] - [ 0.0007123200000000, 0.0002923900000000, 0.0002279500000000 ] - [ -0.0003981600000000, 0.0004632700000000, -0.0009124400000000 ] - [ -0.0002406300000000, 0.0001825300000000, 0.0003492500000000 ] - [ -0.0010124800000000, 0.0002377800000000, -0.0006474800000000 ] - [ 0.0005860000000000, 0.0005233600000000, -0.0007841900000000 ] - [ -0.0021982800000000, -0.0002350300000000, 0.0009168200000000 ] - [ 0.0006891700000000, 0.0011677900000000, -0.0001778700000000 ] - [ 0.0004171800000000, -0.0025713000000000, -0.0005462600000000 ] - [ -0.0004828700000000, -0.0043323000000000, -0.0014877300000000 ] - [ 0.0006948200000000, -0.0048422700000000, -0.0023583300000000 ] - [ 0.0007893800000000, -0.0012022800000000, -0.0008400500000000 ] - [ 0.0004186200000000, 0.0010202100000000, -0.0008205900000000 ] - [ 0.0001685300000000, 0.0008516600000000, -0.0001813900000000 ] - [ 0.0037692200000000, -0.0081506000000000, -0.0041455800000000 ] - [ 0.0007312500000000, 0.0011374800000000, 0.0013331500000000 ] - [ -0.0004452700000000, -0.0000119300000000, -0.0016737800000000 ] - [ 0.0002367000000000, 0.0009270300000000, -0.0033839800000000 ] - [ 0.0003388600000000, 0.0011983800000000, 0.0016859400000000 ] - [ -0.0005074500000000, 0.0003237600000000, 0.0008644300000000 ] - [ -0.0004139300000000, 0.0030273700000000, -0.0008345700000000 ] - [ -0.0002608000000000, 0.0007289300000000, -0.0000835700000000 ] - [ 0.0004840000000000, -0.0017682900000000, -0.0008570600000000 ] - [ -0.0013306900000000, -0.0003749600000000, -0.0000484200000000 ] - [ 0.0129159800000000, 0.0238585400000000, -0.0747229800000000 ] - [ -0.0018345500000000, 0.0015106100000000, -0.0032601500000000 ] - [ 0.0001688000000000, 0.0010665900000000, -0.0011113100000000 ] - [ -0.0033056900000000, 0.0005635800000000, -0.0033199300000000 ] - [ 0.0014923900000000, 0.0005323100000000, 0.0006104800000000 ] - [ -0.0006088900000000, -0.0005001400000000, -0.0002230100000000 ] - [ 0.0004539800000000, -0.0001893200000000, 0.0002064600000000 ] - [ -0.0004062700000000, -0.0000552100000000, -0.0003844100000000 ] - [ 0.0018589400000000, -0.0020157600000000, -0.0013035800000000 ] - [ -0.0001109000000000, -0.0003682500000000, 0.0001663300000000 ] - [ 0.0006504700000000, -0.0012593900000000, 0.0000343700000000 ] - [ 0.0002513900000000, 0.0003752500000000, -0.0001523800000000 ] - [ -0.0009270300000000, 0.0029058500000000, 0.0010812700000000 ] - [ -0.0007486700000000, -0.0013633200000000, -0.0001087400000000 ] - [ 0.0029121800000000, -0.0068579200000000, -0.0455805800000000 ] - [ 0.0053233400000000, -0.0015814800000000, -0.0058544100000000 ] - [ 0.0001363100000000, -0.0015174800000000, -0.0004924100000000 ] - [ 0.0001269900000000, -0.0004369100000000, -0.0000273000000000 ] - [ -0.0088185200000000, 0.0011430100000000, 0.0061319300000000 ] - [ 0.0123389600000000, 0.0000436100000000, 0.0098430000000000 ] - [ 0.0005135800000000, -0.0001390300000000, -0.0000151200000000 ] - [ 0.0002452800000000, -0.0001382400000000, -0.0002599000000000 ] - [ -0.0007583600000000, 0.0038971100000000, -0.0013085300000000 ] - [ 0.0051201600000000, 0.0105335700000000, -0.0061794400000000 ] - [ 0.0022533300000000, -0.0006561600000000, 0.0009575500000000 ] - [ -0.0030535700000000, -0.0027662300000000, 0.0031002700000000 ] - [ -0.0040789100000000, -0.0171285100000000, -0.0446472400000000 ] - [ -0.0004540900000000, -0.0020943500000000, -0.0001796700000000 ] - [ -0.0001700700000000, 0.0006836200000000, 0.0008273800000000 ] - [ 0.0006823500000000, 0.0010283000000000, 0.0007146200000000 ] - [ 0.0002907800000000, 0.0063515600000000, 0.0122248100000000 ] - [ -0.0000679400000000, 0.0011491700000000, 0.0023242500000000 ] - [ -0.0000698900000000, -0.0000098800000000, 0.0000826400000000 ] - [ -0.0003112400000000, -0.0004366500000000, 0.0004497600000000 ] - [ -0.0014992000000000, -0.0008467900000000, 0.0010394600000000 ] - [ -0.0006757000000000, 0.0004500200000000, 0.0001928600000000 ] - [ 0.0002883900000000, -0.0051723200000000, 0.0134124300000000 ] - [ 0.0011370900000000, -0.0004234300000000, 0.0028134300000000 ] - [ 0.0030362000000000, -0.0073171900000000, -0.0559960700000000 ] - [ -0.0003891100000000, -0.0005054200000000, -0.0005669800000000 ] - [ 0.0004148100000000, 0.0000617900000000, -0.0001876500000000 ] - [ -0.0006478400000000, -0.0002231100000000, 0.0000710300000000 ]- atom: 13 displacement: [ 0.0099999932521795, 0.0000000000000000, -0.0000116170720741 ] forces: - [ -0.0009218900000000, -0.0001697800000000, -0.0000351100000000 ] - [ 0.0009458300000000, -0.0003768600000000, -0.0003232100000000 ] - [ 0.0125123500000000, -0.0036276000000000, -0.0297637900000000 ] - [ 0.0203867200000000, 0.0012514500000000, 0.0237467200000000 ] - [ -0.0036237500000000, 0.0041408900000000, 0.0003010800000000 ] - [ 0.0050692200000000, -0.0037128600000000, 0.0024332300000000 ] - [ 0.0010263000000000, 0.0075795900000000, 0.0019532100000000 ] - [ 0.0037907100000000, -0.0055284400000000, -0.0014099800000000 ] - [ 0.0261329500000000, -0.0076287400000000, 0.0434411300000000 ] - [ 0.0246226600000000, 0.0045016700000000, -0.0168887000000000 ] - [ -0.0279850600000000, -0.0083843800000000, -0.0129237200000000 ] - [ 0.0070536500000000, 0.0035596500000000, 0.0027243000000000 ] - [ -0.3457824100000000, 0.0042755900000000, -0.0365935300000000 ] - [ 0.0162083800000000, 0.0001984600000000, 0.0000017300000000 ] - [ -0.0065820600000000, -0.0085900400000000, -0.0036328700000000 ] - [ 0.0034925100000000, 0.0029122000000000, -0.0004147500000000 ] - [ 0.0005273600000000, 0.0010146600000000, -0.0000504100000000 ] - [ 0.0013026100000000, -0.0009758100000000, 0.0003793100000000 ] - [ -0.0013618800000000, -0.0000395700000000, -0.0004675200000000 ] - [ 0.0010624000000000, 0.0000547100000000, 0.0001708800000000 ] - [ -0.0017213600000000, -0.0011100000000000, 0.0007275700000000 ] - [ 0.0012642000000000, 0.0002017800000000, -0.0008098200000000 ] - [ -0.0050111800000000, -0.0077982500000000, -0.0007778400000000 ] - [ 0.0039481700000000, 0.0027844100000000, 0.0001027900000000 ] - [ -0.0014332200000000, 0.0151914300000000, -0.0071936200000000 ] - [ 0.0033041400000000, -0.0041321600000000, 0.0000950400000000 ] - [ 0.0000665300000000, -0.0006663100000000, -0.0002590000000000 ] - [ 0.0004265500000000, 0.0005260300000000, -0.0000561000000000 ] - [ -0.0034802500000000, -0.0016671900000000, 0.0004769600000000 ] - [ 0.0023804200000000, 0.0006018200000000, 0.0009516600000000 ] - [ -0.0057060600000000, -0.0024990900000000, -0.0007814200000000 ] - [ 0.0031803400000000, 0.0009818400000000, 0.0003021400000000 ] - [ 0.0050192300000000, -0.0075895500000000, -0.0017963800000000 ] - [ -0.0016834600000000, 0.0012145300000000, 0.0000462400000000 ] - [ 0.0057696300000000, -0.0010193900000000, 0.0024845800000000 ] - [ -0.0034877600000000, 0.0004768400000000, -0.0012399000000000 ] - [ 0.0005284800000000, 0.0029010400000000, 0.0008229800000000 ] - [ -0.0013458000000000, -0.0005582000000000, -0.0000703600000000 ] - [ 0.0043535300000000, -0.0009429600000000, 0.0056371300000000 ] - [ -0.0076828500000000, 0.0010073100000000, 0.0019843000000000 ] - [ 0.0009598200000000, 0.0024506300000000, -0.0004615300000000 ] - [ -0.0010300500000000, -0.0011255400000000, -0.0000700000000000 ] - [ 0.0020565400000000, -0.0006668600000000, 0.0004902500000000 ] - [ -0.0015486200000000, 0.0001072200000000, 0.0001136300000000 ] - [ 0.0006655200000000, 0.0001694900000000, -0.0003223300000000 ] - [ -0.0009039700000000, 0.0001198400000000, -0.0006222000000000 ] - [ 0.0016000800000000, 0.0000263800000000, -0.0003709800000000 ] - [ -0.0004449600000000, 0.0001041200000000, 0.0003356300000000 ] - [ 0.0006237400000000, -0.0008693100000000, 0.0006004000000000 ] - [ -0.0003592700000000, 0.0010476300000000, 0.0002119700000000 ] - [ 0.0002836000000000, 0.0008523600000000, 0.0003483900000000 ] - [ -0.0012919200000000, -0.0010151000000000, -0.0003453300000000 ] - [ 0.0105016500000000, -0.0033420200000000, -0.0111778200000000 ] - [ -0.0070647800000000, 0.0002105900000000, 0.0013317200000000 ] - [ -0.0010665400000000, 0.0034593500000000, -0.0017982500000000 ] - [ -0.0006114800000000, -0.0008101100000000, 0.0001008700000000 ] - [ 0.1483312300000000, -0.0069690800000000, 0.0214050300000000 ] - [ -0.0129232100000000, 0.0001396500000000, -0.0022310200000000 ] - [ 0.0003712200000000, -0.0001586000000000, -0.0002389900000000 ] - [ -0.0002050800000000, 0.0010176100000000, -0.0003788000000000 ] - [ -0.0035497700000000, 0.0112277900000000, -0.0096323400000000 ] - [ -0.0030037500000000, -0.0056134600000000, 0.0015569400000000 ] - [ 0.0019663800000000, 0.0024452800000000, -0.0003162800000000 ] - [ -0.0016306500000000, -0.0023416700000000, -0.0005076300000000 ] - [ 0.0031418500000000, 0.0056809000000000, 0.0039254100000000 ] - [ -0.0013662300000000, -0.0017240800000000, -0.0002017400000000 ] - [ 0.0001449100000000, 0.0034336500000000, 0.0007748000000000 ] - [ -0.0020101400000000, -0.0015924100000000, -0.0005810000000000 ] - [ 0.0428628500000000, 0.0158663200000000, 0.0181033200000000 ] - [ -0.0079476700000000, 0.0022686600000000, 0.0006418100000000 ] - [ 0.0009693000000000, 0.0007774400000000, -0.0001714200000000 ] - [ -0.0010046500000000, -0.0005517100000000, -0.0005625200000000 ] - [ 0.0052437600000000, -0.0004349600000000, 0.0012741300000000 ] - [ -0.0028243300000000, 0.0003831400000000, 0.0003088300000000 ] - [ 0.0488886900000000, -0.0178008100000000, 0.0212883900000000 ] - [ -0.0052496100000000, -0.0023420500000000, 0.0012715500000000 ] - [ 0.0651244400000000, 0.0077503600000000, -0.0123210100000000 ] - [ -0.0141224600000000, -0.0009745800000000, -0.0046134500000000 ] - [ 0.0002176000000000, 0.0003189000000000, -0.0003310600000000 ] - [ -0.0003598700000000, 0.0001163300000000, -0.0001223200000000 ]- atom: 13 displacement: [ -0.0099999932521795, 0.0000000000000000, 0.0000116170720741 ] forces: - [ 0.0004219700000000, 0.0001673200000000, 0.0000723900000000 ] - [ -0.0014524600000000, 0.0003687900000000, 0.0003649400000000 ] - [ -0.0120714000000000, 0.0036548000000000, 0.0300206600000000 ] - [ -0.0199694000000000, -0.0012148800000000, -0.0235577400000000 ] - [ 0.0031370200000000, -0.0041584500000000, -0.0002705600000000 ] - [ -0.0056163100000000, 0.0037606200000000, -0.0024218000000000 ] - [ -0.0005129400000000, -0.0076133700000000, -0.0020030200000000 ] - [ -0.0033346000000000, 0.0055437000000000, 0.0013684300000000 ] - [ -0.0272478900000000, 0.0079158100000000, -0.0431596300000000 ] - [ -0.0251049400000000, -0.0042621500000000, 0.0170804900000000 ] - [ 0.0284505800000000, 0.0083231800000000, 0.0132721400000000 ] - [ -0.0068060600000000, -0.0036377900000000, -0.0024400500000000 ] - [ 0.3598561400000000, -0.0058796000000000, 0.0409271400000000 ] - [ -0.0159436900000000, -0.0001260100000000, 0.0007001400000000 ] - [ 0.0070689100000000, 0.0086831600000000, 0.0039232000000000 ] - [ -0.0032301500000000, -0.0029045900000000, 0.0007050700000000 ] - [ -0.0010381500000000, -0.0011953000000000, 0.0006400100000000 ] - [ -0.0018521600000000, 0.0008109400000000, 0.0001975700000000 ] - [ 0.0011552300000000, 0.0001219700000000, -0.0002207900000000 ] - [ -0.0012895600000000, 0.0000280300000000, -0.0008668700000000 ] - [ 0.0014514400000000, 0.0010674200000000, -0.0010190800000000 ] - [ -0.0015572900000000, -0.0002533400000000, 0.0005251600000000 ] - [ 0.0048618900000000, 0.0077798200000000, 0.0000940000000000 ] - [ -0.0041943800000000, -0.0028589800000000, -0.0007904000000000 ] - [ 0.0020156300000000, -0.0154871800000000, 0.0067053500000000 ] - [ -0.0028184000000000, 0.0040100000000000, -0.0006675500000000 ] - [ 0.0004418700000000, 0.0008404300000000, -0.0003107400000000 ] - [ 0.0000802800000000, -0.0003607400000000, -0.0005160500000000 ] - [ 0.0037343500000000, 0.0015879600000000, 0.0001928800000000 ] - [ -0.0021766100000000, -0.0006921200000000, -0.0002593500000000 ] - [ 0.0054690800000000, 0.0025705000000000, 0.0005023400000000 ] - [ -0.0034927000000000, -0.0009425100000000, -0.0005796200000000 ] - [ -0.0040653500000000, 0.0079726700000000, 0.0017394100000000 ] - [ 0.0027183800000000, -0.0008810800000000, -0.0001196600000000 ] - [ -0.0060238600000000, 0.0007628900000000, -0.0031861600000000 ] - [ 0.0033128600000000, -0.0007699000000000, 0.0005697500000000 ] - [ -0.0008888000000000, -0.0032032000000000, -0.0012388100000000 ] - [ 0.0009998100000000, 0.0003156000000000, -0.0003239700000000 ] - [ -0.0047442900000000, 0.0011923100000000, -0.0060428900000000 ] - [ 0.0073694100000000, -0.0007589100000000, -0.0024021500000000 ] - [ -0.0014119100000000, -0.0025190600000000, -0.0001134100000000 ] - [ 0.0005964000000000, 0.0010809200000000, -0.0005091800000000 ] - [ -0.0018745400000000, 0.0003912900000000, 0.0001859500000000 ] - [ 0.0017640200000000, -0.0003855000000000, 0.0005657300000000 ] - [ -0.0008729900000000, 0.0001102700000000, -0.0003563200000000 ] - [ 0.0007100700000000, 0.0001613700000000, -0.0000539300000000 ] - [ -0.0005943500000000, -0.0003718200000000, 0.0003043300000000 ] - [ 0.0014658600000000, -0.0004518100000000, -0.0004045700000000 ] - [ -0.0002765700000000, 0.0011265900000000, -0.0002005800000000 ] - [ 0.0007166000000000, -0.0007976400000000, 0.0001860000000000 ] - [ -0.0009344100000000, -0.0015579100000000, 0.0002857800000000 ] - [ 0.0006447800000000, 0.0003221200000000, 0.0009712000000000 ] - [ -0.0115513700000000, 0.0030417100000000, 0.0114484300000000 ] - [ 0.0061291600000000, -0.0005597200000000, -0.0012804400000000 ] - [ 0.0011691600000000, -0.0037609700000000, 0.0020727300000000 ] - [ 0.0007146000000000, 0.0006085300000000, 0.0000869000000000 ] - [ -0.1618719800000000, 0.0083511000000000, -0.0232144100000000 ] - [ 0.0130962100000000, 0.0001326500000000, 0.0029065800000000 ] - [ 0.0002769500000000, 0.0008682800000000, -0.0003888200000000 ] - [ 0.0008641000000000, -0.0003235300000000, -0.0002467000000000 ] - [ 0.0042633300000000, -0.0120581100000000, 0.0091179000000000 ] - [ 0.0036916400000000, 0.0049324300000000, -0.0021644900000000 ] - [ -0.0016315100000000, -0.0027153600000000, 0.0007240000000000 ] - [ 0.0020168900000000, 0.0021242200000000, 0.0009356300000000 ] - [ -0.0027228700000000, -0.0057457200000000, -0.0033609000000000 ] - [ 0.0018173100000000, 0.0016870800000000, 0.0007818100000000 ] - [ -0.0002536200000000, -0.0036790200000000, -0.0009774800000000 ] - [ 0.0019640200000000, 0.0014066700000000, 0.0003586100000000 ] - [ -0.0435914700000000, -0.0145401100000000, -0.0171792400000000 ] - [ 0.0072987300000000, -0.0015886800000000, -0.0000315300000000 ] - [ -0.0014201700000000, -0.0007335700000000, -0.0004087200000000 ] - [ 0.0005715000000000, 0.0006024500000000, -0.0000151200000000 ] - [ -0.0062581800000000, 0.0008267500000000, -0.0012352800000000 ] - [ 0.0018369000000000, -0.0000281500000000, -0.0002541500000000 ] - [ -0.0489833900000000, 0.0177069100000000, -0.0206985700000000 ] - [ 0.0056984400000000, 0.0024196800000000, -0.0007204800000000 ] - [ -0.0642599800000000, -0.0075163100000000, 0.0108669000000000 ] - [ 0.0141452900000000, 0.0011705700000000, 0.0047467300000000 ] - [ -0.0003195600000000, -0.0001099300000000, 0.0001368200000000 ] - [ 0.0002634300000000, 0.0000935300000000, -0.0000718800000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002716200000000, 0.0088701800000000, -0.0015303000000000 ] - [ -0.0001669400000000, 0.0039134900000000, -0.0002085100000000 ] - [ -0.0008766300000000, -0.0101354400000000, 0.0012806600000000 ] - [ 0.0038639400000000, -0.0355314800000000, 0.0030843000000000 ] - [ 0.0016283600000000, 0.0014421400000000, -0.0010756000000000 ] - [ -0.0005699500000000, 0.0004160700000000, -0.0004035300000000 ] - [ 0.0046555100000000, 0.0014395200000000, 0.0030014500000000 ] - [ -0.0051111800000000, 0.0034382100000000, 0.0052968400000000 ] - [ -0.0061056300000000, -0.0002805200000000, -0.0021742500000000 ] - [ -0.0005307200000000, -0.0038271800000000, -0.0039562700000000 ] - [ -0.0027718400000000, -0.0059264300000000, 0.0041464600000000 ] - [ 0.0010429000000000, -0.0024513400000000, -0.0006108300000000 ] - [ 0.0022978200000000, -0.2989314600000000, 0.0066222300000000 ] - [ 0.0002794200000000, -0.0005034900000000, 0.0016689400000000 ] - [ 0.0055897200000000, 0.0366411400000000, -0.0076172000000000 ] - [ -0.0016304600000000, -0.0026539600000000, 0.0012845300000000 ] - [ 0.0021718100000000, 0.0035102600000000, -0.0031919500000000 ] - [ -0.0045507900000000, 0.0031190100000000, -0.0006570200000000 ] - [ -0.0000282500000000, 0.0025342100000000, -0.0003819300000000 ] - [ -0.0001218900000000, 0.0022493600000000, -0.0006390800000000 ] - [ -0.0001466700000000, 0.0032332300000000, 0.0000490800000000 ] - [ -0.0000978100000000, 0.0031353600000000, 0.0003361900000000 ] - [ -0.0079541400000000, 0.0028019500000000, -0.0032414500000000 ] - [ 0.0027162200000000, 0.0010917200000000, -0.0051312300000000 ] - [ 0.0030308100000000, 0.0391438500000000, 0.0014553000000000 ] - [ -0.0008783200000000, -0.0019423900000000, 0.0003573600000000 ] - [ 0.0004081700000000, 0.0030293900000000, -0.0004568100000000 ] - [ 0.0001746000000000, 0.0020772600000000, -0.0004569700000000 ] - [ 0.0017376400000000, 0.0006447400000000, -0.0043149900000000 ] - [ -0.0005377200000000, -0.0007871800000000, -0.0007896100000000 ] - [ -0.0047116600000000, 0.0033352900000000, 0.0023081600000000 ] - [ 0.0019262000000000, 0.0043159600000000, 0.0042069700000000 ] - [ 0.0041149700000000, -0.0085436100000000, -0.0031307000000000 ] - [ -0.0001422600000000, -0.0006782300000000, -0.0004082700000000 ] - [ 0.0043771900000000, -0.0074813700000000, 0.0056954700000000 ] - [ -0.0007790100000000, -0.0000429700000000, 0.0000720600000000 ] - [ 0.0011185700000000, -0.0118183700000000, -0.0036292100000000 ] - [ -0.0004269300000000, -0.0012143400000000, -0.0001731000000000 ] - [ 0.0002149800000000, 0.0056177400000000, -0.0045067900000000 ] - [ 0.0002137000000000, 0.0007826000000000, 0.0004708900000000 ] - [ 0.0010696400000000, -0.0029035400000000, 0.0010617800000000 ] - [ -0.0008437300000000, -0.0027013700000000, 0.0008479600000000 ] - [ -0.0005623900000000, -0.0005731100000000, 0.0017935800000000 ] - [ 0.0012443200000000, 0.0000864600000000, 0.0007347300000000 ] - [ -0.0003514000000000, -0.0013535500000000, -0.0004835800000000 ] - [ -0.0000761300000000, -0.0007900400000000, -0.0003787300000000 ] - [ 0.0000934500000000, -0.0020693500000000, 0.0001941400000000 ] - [ 0.0003302600000000, -0.0015081700000000, -0.0000213300000000 ] - [ 0.0000414800000000, -0.0018042300000000, -0.0002227700000000 ] - [ 0.0004609900000000, -0.0021636700000000, -0.0001400000000000 ] - [ -0.0003157900000000, -0.0024776200000000, 0.0009020500000000 ] - [ -0.0006586000000000, -0.0016674100000000, 0.0000467500000000 ] - [ -0.0011943700000000, 0.0023815300000000, 0.0002072900000000 ] - [ -0.0017875400000000, 0.0009299200000000, -0.0003854500000000 ] - [ 0.0024023200000000, -0.0074310600000000, 0.0064120900000000 ] - [ -0.0005175900000000, -0.0000353700000000, 0.0008539800000000 ] - [ -0.0086846300000000, 0.0411523300000000, -0.0035721000000000 ] - [ -0.0011670100000000, 0.0037692100000000, 0.0000325200000000 ] - [ -0.0001479100000000, -0.0030156800000000, 0.0000715200000000 ] - [ 0.0009725800000000, -0.0027385600000000, -0.0004428500000000 ] - [ 0.0020288900000000, 0.0017454900000000, -0.0006630700000000 ] - [ 0.0005690900000000, 0.0032393100000000, 0.0013445800000000 ] - [ 0.0018753700000000, 0.0011599700000000, -0.0009682000000000 ] - [ -0.0036986600000000, 0.0024108200000000, -0.0020404500000000 ] - [ 0.0010277600000000, 0.0046682800000000, 0.0020202500000000 ] - [ -0.0002552100000000, 0.0021118300000000, 0.0003919400000000 ] - [ 0.0023755900000000, -0.0005061300000000, -0.0005532000000000 ] - [ -0.0074384600000000, -0.0068258300000000, 0.0010269900000000 ] - [ 0.0160977600000000, 0.0980321000000000, 0.0247079200000000 ] - [ -0.0010719200000000, 0.0022612600000000, -0.0001894000000000 ] - [ 0.0009664400000000, -0.0031848000000000, -0.0008045100000000 ] - [ 0.0002666400000000, -0.0033067600000000, -0.0008980500000000 ] - [ -0.0105278800000000, -0.0056868600000000, 0.0024054000000000 ] - [ 0.0036474800000000, 0.0002628100000000, 0.0007757700000000 ] - [ -0.0097080700000000, 0.1103724900000000, -0.0340662500000000 ] - [ 0.0010113500000000, 0.0029898200000000, -0.0003581200000000 ] - [ 0.0066670200000000, 0.0328770900000000, 0.0061006500000000 ] - [ 0.0022615800000000, 0.0004537700000000, 0.0013440300000000 ] - [ 0.0001805300000000, -0.0010586700000000, 0.0001718500000000 ] - [ 0.0002646900000000, -0.0011355900000000, 0.0000889900000000 ]- atom: 13 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002209000000000, -0.0089017200000000, 0.0015829700000000 ] - [ -0.0003365700000000, -0.0039242500000000, 0.0002478900000000 ] - [ 0.0014498600000000, 0.0101090500000000, -0.0014114300000000 ] - [ -0.0032770900000000, 0.0355411800000000, -0.0030630800000000 ] - [ -0.0021095000000000, -0.0014712700000000, 0.0010668900000000 ] - [ 0.0000634600000000, -0.0004369800000000, 0.0004342400000000 ] - [ -0.0041908000000000, -0.0014158300000000, -0.0030799800000000 ] - [ 0.0056554300000000, -0.0034178800000000, -0.0053858800000000 ] - [ 0.0056296600000000, 0.0003632600000000, 0.0027910400000000 ] - [ -0.0001107900000000, 0.0038702800000000, 0.0045031400000000 ] - [ 0.0030912000000000, 0.0059827700000000, -0.0037557200000000 ] - [ -0.0007694300000000, 0.0024216600000000, 0.0009194100000000 ] - [ -0.0078585100000000, 0.3000119000000000, -0.0159520500000000 ] - [ -0.0000486300000000, 0.0005969100000000, -0.0009945400000000 ] - [ -0.0051547200000000, -0.0370207700000000, 0.0083195900000000 ] - [ 0.0019245300000000, 0.0027354100000000, -0.0010017500000000 ] - [ -0.0026971400000000, -0.0036908200000000, 0.0037994400000000 ] - [ 0.0040284900000000, -0.0032800500000000, 0.0012409500000000 ] - [ -0.0001893100000000, -0.0024547500000000, -0.0003087000000000 ] - [ -0.0000943200000000, -0.0021649800000000, -0.0000493800000000 ] - [ -0.0001387400000000, -0.0032785800000000, -0.0003370000000000 ] - [ -0.0001836100000000, -0.0031884000000000, -0.0006242200000000 ] - [ 0.0076315500000000, -0.0028746300000000, 0.0025166500000000 ] - [ -0.0029158300000000, -0.0011765600000000, 0.0044337000000000 ] - [ -0.0022802700000000, -0.0388870300000000, -0.0016356300000000 ] - [ 0.0013705000000000, 0.0017339300000000, -0.0009236100000000 ] - [ 0.0001030300000000, -0.0028557500000000, -0.0001146700000000 ] - [ 0.0003313000000000, -0.0019077100000000, -0.0001118000000000 ] - [ -0.0015072900000000, -0.0007306700000000, 0.0049979400000000 ] - [ 0.0007583700000000, 0.0007204600000000, 0.0014887900000000 ] - [ 0.0044152000000000, -0.0032785700000000, -0.0025736900000000 ] - [ -0.0022031400000000, -0.0042745800000000, -0.0044858400000000 ] - [ -0.0031402300000000, 0.0089345800000000, 0.0030340200000000 ] - [ 0.0011517400000000, 0.0010321800000000, 0.0003396500000000 ] - [ -0.0045520300000000, 0.0071163700000000, -0.0063398500000000 ] - [ 0.0005773900000000, -0.0002296700000000, -0.0007533400000000 ] - [ -0.0014910100000000, 0.0116709700000000, 0.0032461100000000 ] - [ 0.0000774400000000, 0.0009558600000000, -0.0002265700000000 ] - [ -0.0005767600000000, -0.0053176100000000, 0.0040448100000000 ] - [ -0.0005873200000000, -0.0005050100000000, -0.0008612300000000 ] - [ -0.0014878100000000, 0.0028526800000000, -0.0016227100000000 ] - [ 0.0003989600000000, 0.0026582400000000, -0.0014235600000000 ] - [ 0.0007579900000000, 0.0002880100000000, -0.0011248400000000 ] - [ -0.0010436800000000, -0.0003734600000000, -0.0000563700000000 ] - [ 0.0001505400000000, 0.0016323800000000, -0.0001958600000000 ] - [ -0.0001255500000000, 0.0010711800000000, -0.0003007000000000 ] - [ 0.0009188200000000, 0.0017207800000000, -0.0002563200000000 ] - [ 0.0006836500000000, 0.0011644600000000, -0.0000444300000000 ] - [ 0.0003136800000000, 0.0020537000000000, 0.0006239700000000 ] - [ -0.0001126000000000, 0.0024141600000000, 0.0005437500000000 ] - [ -0.0003360900000000, 0.0017702800000000, -0.0002649600000000 ] - [ 0.0000119200000000, 0.0009643000000000, 0.0005803100000000 ] - [ 0.0001534100000000, -0.0027552000000000, -0.0001886400000000 ] - [ 0.0008409400000000, -0.0012982200000000, 0.0004135400000000 ] - [ -0.0023133800000000, 0.0071229500000000, -0.0061259200000000 ] - [ 0.0006243800000000, -0.0001816600000000, -0.0006659100000000 ] - [ 0.0100312300000000, -0.0410036900000000, 0.0045786100000000 ] - [ 0.0013796100000000, -0.0034912200000000, 0.0006681900000000 ] - [ 0.0008009000000000, 0.0037243000000000, -0.0007014500000000 ] - [ -0.0003229300000000, 0.0034334900000000, -0.0001883300000000 ] - [ -0.0013599900000000, -0.0024055300000000, 0.0000516100000000 ] - [ 0.0000648700000000, -0.0039050300000000, -0.0019619200000000 ] - [ -0.0015162400000000, -0.0013946400000000, 0.0013615900000000 ] - [ 0.0040552300000000, -0.0026464100000000, 0.0024544500000000 ] - [ -0.0005862400000000, -0.0047471400000000, -0.0014346400000000 ] - [ 0.0007022200000000, -0.0021893300000000, 0.0001849900000000 ] - [ -0.0024492300000000, 0.0003019200000000, 0.0003498200000000 ] - [ 0.0073312300000000, 0.0066225800000000, -0.0012634100000000 ] - [ -0.0144242600000000, -0.0919944400000000, -0.0202205300000000 ] - [ 0.0004021500000000, -0.0015289800000000, 0.0008211600000000 ] - [ -0.0014083300000000, 0.0032392500000000, 0.0002242600000000 ] - [ -0.0007118000000000, 0.0033536600000000, 0.0003159800000000 ] - [ 0.0095878700000000, 0.0060879900000000, -0.0023794300000000 ] - [ -0.0046795100000000, 0.0000793900000000, -0.0007139200000000 ] - [ 0.0122283900000000, -0.1165099600000000, 0.0391154900000000 ] - [ -0.0005817800000000, -0.0029744000000000, 0.0009395100000000 ] - [ -0.0067338800000000, -0.0326261800000000, -0.0052613800000000 ] - [ -0.0022270900000000, -0.0002554600000000, -0.0011984500000000 ] - [ -0.0002782100000000, 0.0012674100000000, -0.0003661100000000 ] - [ -0.0003646200000000, 0.0013451500000000, -0.0002847400000000 ]- atom: 13 displacement: [ -0.0001950079929100, 0.0000000000000000, 0.0099980984133335 ] forces: - [ 0.0004290000000000, -0.0007174200000000, -0.0004339400000000 ] - [ -0.0002905100000000, -0.0000540600000000, -0.0008661200000000 ] - [ -0.0131421600000000, 0.0007951400000000, 0.0064694600000000 ] - [ 0.0281867900000000, 0.0031069400000000, 0.0299227900000000 ] - [ 0.0003465500000000, -0.0061674000000000, 0.0083284500000000 ] - [ 0.0003569700000000, -0.0014047600000000, 0.0028553400000000 ] - [ 0.0008733600000000, 0.0044472300000000, -0.0031388800000000 ] - [ -0.0012283000000000, 0.0077193300000000, -0.0059755700000000 ] - [ 0.0207484400000000, -0.0038792300000000, 0.0039881000000000 ] - [ -0.0489150800000000, -0.0130170400000000, -0.0017867300000000 ] - [ 0.0144580600000000, 0.0109795600000000, 0.0503376500000000 ] - [ -0.0030849400000000, -0.0006531400000000, 0.0021982000000000 ] - [ -0.0356686900000000, 0.0116356300000000, -0.2964741300000000 ] - [ -0.0005410100000000, 0.0013676600000000, -0.0009544600000000 ] - [ -0.0096274200000000, -0.0223010900000000, 0.0046145300000000 ] - [ 0.0021174900000000, 0.0011915600000000, -0.0007899800000000 ] - [ -0.0011012600000000, -0.0013411300000000, 0.0040356600000000 ] - [ 0.0015615900000000, -0.0015875800000000, 0.0022615300000000 ] - [ -0.0002074600000000, 0.0000801000000000, 0.0002796100000000 ] - [ 0.0003886800000000, 0.0003373900000000, 0.0007385100000000 ] - [ -0.0003012900000000, -0.0005557100000000, 0.0001394700000000 ] - [ -0.0002892000000000, -0.0007631500000000, 0.0003065200000000 ] - [ -0.0004560500000000, -0.0027779600000000, -0.0018739700000000 ] - [ 0.0002547400000000, -0.0048667900000000, -0.0082902600000000 ] - [ -0.0042623100000000, 0.0196033500000000, -0.0132121300000000 ] - [ 0.0004007200000000, -0.0018773500000000, -0.0010621900000000 ] - [ 0.0002888300000000, 0.0006638400000000, 0.0004597100000000 ] - [ 0.0002270100000000, 0.0004314400000000, 0.0002020100000000 ] - [ 0.0003287800000000, 0.0046272600000000, 0.0069142200000000 ] - [ 0.0006714900000000, 0.0010842300000000, 0.0019259100000000 ] - [ -0.0038043500000000, 0.0001460900000000, -0.0000166800000000 ] - [ 0.0023241800000000, 0.0008719100000000, 0.0010636800000000 ] - [ 0.0035798700000000, -0.0056383100000000, -0.0023159100000000 ] - [ -0.0007766200000000, 0.0007780600000000, 0.0001206400000000 ] - [ 0.0020950700000000, 0.0004700200000000, 0.0054114700000000 ] - [ 0.0003126900000000, 0.0009098200000000, 0.0011302900000000 ] - [ -0.0002279400000000, 0.0085891300000000, 0.0043771500000000 ] - [ -0.0004526700000000, -0.0001683400000000, 0.0009194100000000 ] - [ 0.0010597900000000, 0.0039670400000000, -0.0173289500000000 ] - [ -0.0006131300000000, 0.0009825000000000, -0.0039686900000000 ] - [ -0.0000140700000000, 0.0007990500000000, -0.0004026400000000 ] - [ -0.0002751500000000, 0.0019818000000000, 0.0004235700000000 ] - [ -0.0009863400000000, -0.0011574200000000, -0.0019404800000000 ] - [ -0.0005637400000000, -0.0005562900000000, -0.0010122400000000 ] - [ -0.0000910500000000, -0.0000277700000000, -0.0009009700000000 ] - [ -0.0005116900000000, 0.0000463800000000, -0.0007426400000000 ] - [ 0.0005548900000000, 0.0000354800000000, 0.0001470800000000 ] - [ 0.0005514000000000, 0.0000664100000000, -0.0000462600000000 ] - [ 0.0004834200000000, -0.0004827500000000, 0.0006323900000000 ] - [ -0.0002776400000000, -0.0007045800000000, 0.0009761500000000 ] - [ -0.0003142500000000, -0.0022748800000000, -0.0005936700000000 ] - [ -0.0004936000000000, -0.0008987200000000, -0.0000462100000000 ] - [ -0.0097915500000000, -0.0010701100000000, -0.0049621000000000 ] - [ 0.0128505700000000, -0.0026765500000000, -0.0083011900000000 ] - [ 0.0000609000000000, 0.0018750400000000, -0.0062675700000000 ] - [ 0.0002812800000000, -0.0003104400000000, -0.0009113700000000 ] - [ 0.0035594100000000, -0.0026519100000000, 0.0528456700000000 ] - [ 0.0057491400000000, 0.0002389900000000, 0.0081466200000000 ] - [ 0.0005298900000000, 0.0011279800000000, -0.0008833200000000 ] - [ -0.0000619100000000, 0.0008414700000000, -0.0006578500000000 ] - [ -0.0011481700000000, 0.0027926700000000, -0.0006455700000000 ] - [ 0.0075125000000000, 0.0130094600000000, -0.0014535500000000 ] - [ 0.0012778100000000, 0.0001241300000000, -0.0012094900000000 ] - [ -0.0004526600000000, -0.0032034800000000, -0.0029602000000000 ] - [ -0.0001063900000000, -0.0131475500000000, -0.0092189000000000 ] - [ 0.0007730800000000, -0.0022321600000000, -0.0003655600000000 ] - [ 0.0007269400000000, 0.0006876900000000, 0.0009697200000000 ] - [ -0.0079365500000000, -0.0069698600000000, 0.0040605300000000 ] - [ 0.0196478900000000, 0.0320601800000000, 0.0645344800000000 ] - [ -0.0017853200000000, 0.0020559200000000, 0.0020142400000000 ] - [ 0.0006186500000000, -0.0002399500000000, -0.0003233700000000 ] - [ -0.0008440300000000, -0.0008038300000000, -0.0008811800000000 ] - [ 0.0068353900000000, 0.0044819500000000, -0.0015724300000000 ] - [ -0.0042204200000000, 0.0017228900000000, 0.0003584900000000 ] - [ 0.0164765300000000, -0.0419181500000000, 0.0656166800000000 ] - [ -0.0002118400000000, -0.0019843800000000, 0.0021244500000000 ] - [ -0.0041864100000000, 0.0019794000000000, 0.0629743800000000 ] - [ -0.0003947900000000, 0.0001944400000000, 0.0011951200000000 ] - [ 0.0000553900000000, 0.0001451600000000, -0.0005001800000000 ] - [ 0.0001028200000000, 0.0000295100000000, -0.0007323800000000 ]- atom: 13 displacement: [ 0.0001950079929100, 0.0000000000000000, -0.0099980984133335 ] forces: - [ -0.0009267800000000, 0.0007075000000000, 0.0004769700000000 ] - [ -0.0002080300000000, 0.0000476200000000, 0.0009056500000000 ] - [ 0.0135110300000000, -0.0007961500000000, -0.0065082600000000 ] - [ -0.0274029100000000, -0.0030935500000000, -0.0298534300000000 ] - [ -0.0008432600000000, 0.0062066800000000, -0.0083085600000000 ] - [ -0.0008523800000000, 0.0014178100000000, -0.0028118600000000 ] - [ -0.0003721600000000, -0.0044259000000000, 0.0031178400000000 ] - [ 0.0017386100000000, -0.0077043000000000, 0.0059475700000000 ] - [ -0.0214496500000000, 0.0041100100000000, -0.0032598300000000 ] - [ 0.0485882600000000, 0.0131914000000000, 0.0022330800000000 ] - [ -0.0139828000000000, -0.0111030400000000, -0.0505383300000000 ] - [ 0.0033766800000000, 0.0005950800000000, -0.0018817800000000 ] - [ 0.0286771300000000, -0.0107236300000000, 0.3022886200000000 ] - [ 0.0007876800000000, -0.0012886200000000, 0.0016258500000000 ] - [ 0.0099717800000000, 0.0222719200000000, -0.0042616600000000 ] - [ -0.0018361500000000, -0.0011393200000000, 0.0010771600000000 ] - [ 0.0005934600000000, 0.0011712200000000, -0.0034647500000000 ] - [ -0.0020779100000000, 0.0014283300000000, -0.0016922100000000 ] - [ -0.0000114800000000, 0.0000039500000000, -0.0009705000000000 ] - [ -0.0006057800000000, -0.0002513600000000, -0.0014299200000000 ] - [ 0.0000154400000000, 0.0005066400000000, -0.0004245900000000 ] - [ 0.0000082100000000, 0.0007199000000000, -0.0005943200000000 ] - [ 0.0002262800000000, 0.0026743700000000, 0.0011918300000000 ] - [ -0.0004615100000000, 0.0048054500000000, 0.0076166900000000 ] - [ 0.0047588200000000, -0.0197476800000000, 0.0127270700000000 ] - [ 0.0001168100000000, 0.0017041600000000, 0.0004949100000000 ] - [ 0.0002193100000000, -0.0004922700000000, -0.0010310500000000 ] - [ 0.0002805000000000, -0.0002598000000000, -0.0007725300000000 ] - [ -0.0001107300000000, -0.0047473100000000, -0.0062481500000000 ] - [ -0.0004536600000000, -0.0011683800000000, -0.0012354700000000 ] - [ 0.0035140400000000, -0.0000921800000000, -0.0002797100000000 ] - [ -0.0026054000000000, -0.0008275800000000, -0.0013329400000000 ] - [ -0.0025881400000000, 0.0059950100000000, 0.0022498200000000 ] - [ 0.0017868200000000, -0.0004328100000000, -0.0001920300000000 ] - [ -0.0022710200000000, -0.0007712900000000, -0.0060832900000000 ] - [ -0.0005241500000000, -0.0011922500000000, -0.0018134800000000 ] - [ -0.0001260800000000, -0.0087905300000000, -0.0047688600000000 ] - [ 0.0001025500000000, -0.0000860600000000, -0.0013202200000000 ] - [ -0.0014663300000000, -0.0036882100000000, 0.0168317900000000 ] - [ 0.0002616500000000, -0.0007284300000000, 0.0035564400000000 ] - [ -0.0004222700000000, -0.0008450400000000, -0.0001731500000000 ] - [ -0.0001674500000000, -0.0020415500000000, -0.0010005600000000 ] - [ 0.0011891800000000, 0.0008820900000000, 0.0026214500000000 ] - [ 0.0007657200000000, 0.0002755800000000, 0.0016903600000000 ] - [ -0.0001102900000000, 0.0003069600000000, 0.0002239800000000 ] - [ 0.0003095400000000, 0.0002337000000000, 0.0000650400000000 ] - [ 0.0004599400000000, -0.0003822500000000, -0.0002166600000000 ] - [ 0.0004607200000000, -0.0004133000000000, -0.0000212400000000 ] - [ -0.0001310700000000, 0.0007343100000000, -0.0002317700000000 ] - [ 0.0006283600000000, 0.0009516500000000, -0.0005752700000000 ] - [ -0.0003382700000000, 0.0015789200000000, 0.0012245300000000 ] - [ -0.0001567200000000, 0.0001987000000000, 0.0006691600000000 ] - [ 0.0088393000000000, 0.0007177000000000, 0.0050282200000000 ] - [ -0.0138362800000000, 0.0023305900000000, 0.0083568000000000 ] - [ 0.0000285800000000, -0.0021514900000000, 0.0065501500000000 ] - [ -0.0001796000000000, 0.0000990500000000, 0.0011067900000000 ] - [ -0.0021505800000000, 0.0028227200000000, -0.0521698900000000 ] - [ -0.0055948700000000, 0.0000443600000000, -0.0074875700000000 ] - [ 0.0001204700000000, -0.0004296800000000, 0.0002597900000000 ] - [ 0.0007119600000000, -0.0001472000000000, 0.0000328500000000 ] - [ 0.0017969500000000, -0.0034672200000000, -0.0000188000000000 ] - [ -0.0069169100000000, -0.0137714300000000, 0.0008452400000000 ] - [ -0.0009218100000000, -0.0003809200000000, 0.0016101400000000 ] - [ 0.0008193300000000, 0.0029733100000000, 0.0033829100000000 ] - [ 0.0005361500000000, 0.0131497000000000, 0.0098337600000000 ] - [ -0.0003287200000000, 0.0021821200000000, 0.0009402100000000 ] - [ -0.0008284600000000, -0.0008886400000000, -0.0011652000000000 ] - [ 0.0078183900000000, 0.0067323900000000, -0.0042844600000000 ] - [ -0.0192037500000000, -0.0291452700000000, -0.0627658800000000 ] - [ 0.0011217000000000, -0.0013534200000000, -0.0013772600000000 ] - [ -0.0010578600000000, 0.0002878800000000, -0.0002524200000000 ] - [ 0.0004029400000000, 0.0008477900000000, 0.0002994500000000 ] - [ -0.0078317500000000, -0.0041246100000000, 0.0016472400000000 ] - [ 0.0032130100000000, -0.0013845800000000, -0.0002926100000000 ] - [ -0.0151036800000000, 0.0392174400000000, -0.0638180300000000 ] - [ 0.0006446400000000, 0.0020291700000000, -0.0015357400000000 ] - [ 0.0079844300000000, -0.0019286200000000, -0.0700482700000000 ] - [ 0.0004269300000000, 0.0000087200000000, -0.0010593500000000 ] - [ -0.0001541900000000, 0.0000648700000000, 0.0003048400000000 ] - [ -0.0002025000000000, 0.0001790800000000, 0.0005376200000000 ]- atom: 33 displacement: [ 0.0099999932521795, 0.0000000000000000, -0.0000116170720741 ] forces: - [ 0.0040723400000000, -0.0070736500000000, 0.0020690700000000 ] - [ -0.0068293100000000, 0.0048918100000000, -0.0048320600000000 ] - [ 0.0016369400000000, -0.0066778000000000, -0.0019798700000000 ] - [ -0.0028585400000000, 0.0051714500000000, -0.0019024000000000 ] - [ 0.0071818100000000, -0.0006137800000000, -0.0052054700000000 ] - [ -0.0096154600000000, 0.0008885200000000, 0.0061238600000000 ] - [ 0.0011179900000000, 0.0008090400000000, -0.0001478700000000 ] - [ -0.0007484200000000, 0.0004052800000000, 0.0005465000000000 ] - [ 0.0001738900000000, -0.0014158400000000, 0.0007997800000000 ] - [ -0.0010366000000000, 0.0020783000000000, 0.0006222400000000 ] - [ 0.0017831800000000, 0.0009180900000000, 0.0003443700000000 ] - [ -0.0012125500000000, -0.0003518400000000, 0.0011248400000000 ] - [ 0.0046127400000000, 0.0036352200000000, 0.0034987500000000 ] - [ -0.0020782800000000, -0.0005965100000000, -0.0009694500000000 ] - [ 0.0019959800000000, 0.0009510000000000, -0.0011652300000000 ] - [ -0.0011887900000000, 0.0000671100000000, 0.0007292500000000 ] - [ -0.0002306400000000, 0.0018242300000000, 0.0008113000000000 ] - [ -0.0003566100000000, -0.0007036800000000, -0.0000761400000000 ] - [ 0.0055975900000000, 0.0100606200000000, 0.0070723200000000 ] - [ -0.0024248200000000, -0.0041293000000000, -0.0041144400000000 ] - [ 0.0019743000000000, 0.0002056200000000, 0.0008943800000000 ] - [ -0.0022456900000000, -0.0016390600000000, -0.0000223500000000 ] - [ 0.0107993800000000, -0.0007107200000000, -0.0093998000000000 ] - [ -0.0066483900000000, -0.0013490800000000, 0.0129039700000000 ] - [ 0.0668537100000000, -0.0231776900000000, -0.0300726500000000 ] - [ -0.0129351600000000, -0.0026762000000000, 0.0023112600000000 ] - [ 0.0014302800000000, -0.0001334800000000, 0.0007858500000000 ] - [ -0.0013515900000000, 0.0010446700000000, -0.0001971500000000 ] - [ 0.0011998600000000, 0.0003693100000000, 0.0004119700000000 ] - [ -0.0008403500000000, 0.0001329000000000, 0.0003718800000000 ] - [ 0.1267031600000000, -0.0006078900000000, 0.0002259700000000 ] - [ -0.0125959800000000, -0.0019737500000000, -0.0062444000000000 ] - [ -0.3309202200000000, 0.0528837700000000, 0.0809729000000000 ] - [ 0.0076696000000000, -0.0000526700000000, -0.0006916300000000 ] - [ -0.0144085600000000, 0.0004654300000000, -0.0022312200000000 ] - [ 0.0093869300000000, -0.0000589400000000, -0.0023546600000000 ] - [ -0.0006252700000000, 0.0018187200000000, -0.0005688500000000 ] - [ 0.0001170300000000, -0.0016432500000000, 0.0000286800000000 ] - [ -0.0014495700000000, -0.0008220600000000, 0.0000823700000000 ] - [ 0.0018104300000000, 0.0019233300000000, -0.0008855300000000 ] - [ -0.0017258400000000, -0.0002432500000000, 0.0008095700000000 ] - [ 0.0010232400000000, 0.0019806900000000, -0.0027775400000000 ] - [ -0.0006004100000000, -0.0005434500000000, -0.0000585900000000 ] - [ 0.0006919000000000, -0.0001303500000000, 0.0005157500000000 ] - [ -0.0041144100000000, -0.0012925500000000, -0.0016428800000000 ] - [ 0.0034950200000000, 0.0004097700000000, 0.0004945200000000 ] - [ -0.0006857500000000, 0.0002263300000000, -0.0004718400000000 ] - [ 0.0020106900000000, -0.0002617100000000, -0.0000472700000000 ] - [ -0.0006960600000000, -0.0005700800000000, 0.0000014400000000 ] - [ 0.0014946700000000, 0.0002134400000000, 0.0001786600000000 ] - [ -0.0007467800000000, -0.0005778400000000, -0.0000324000000000 ] - [ 0.0001007100000000, -0.0008840300000000, 0.0003845800000000 ] - [ -0.0014219000000000, -0.0000233000000000, -0.0001310100000000 ] - [ 0.0006799900000000, -0.0007312700000000, -0.0002012500000000 ] - [ -0.0003796500000000, -0.0003202000000000, 0.0004710600000000 ] - [ 0.0006985200000000, -0.0004319000000000, -0.0000506300000000 ] - [ -0.0022766800000000, 0.0003677200000000, -0.0001987700000000 ] - [ 0.0019195900000000, -0.0006368600000000, 0.0006918600000000 ] - [ 0.0001667400000000, -0.0041280100000000, -0.0003832300000000 ] - [ 0.0009228700000000, 0.0019636500000000, 0.0004202100000000 ] - [ -0.0011569200000000, 0.0004309600000000, -0.0001787200000000 ] - [ 0.0015505100000000, -0.0016435900000000, -0.0016080800000000 ] - [ 0.0334612500000000, 0.0209688100000000, -0.0286679400000000 ] - [ 0.0098388700000000, -0.0036669800000000, 0.0072598100000000 ] - [ -0.0001284100000000, -0.0006862600000000, 0.0001412000000000 ] - [ 0.0005969000000000, -0.0000377900000000, 0.0001287300000000 ] - [ 0.0344915000000000, 0.0080413600000000, 0.0170682300000000 ] - [ 0.0384439100000000, -0.0087979100000000, -0.0285774100000000 ] - [ -0.0058663200000000, -0.0191036200000000, -0.0059357300000000 ] - [ 0.0021445200000000, 0.0030663600000000, 0.0004874700000000 ] - [ 0.0339356900000000, -0.0336996300000000, -0.0083243100000000 ] - [ 0.0095867000000000, 0.0098135000000000, 0.0021929000000000 ] - [ -0.0017874200000000, -0.0002009300000000, 0.0006948500000000 ] - [ 0.0003728700000000, 0.0000010200000000, -0.0002945400000000 ] - [ -0.0007334100000000, -0.0025309000000000, 0.0006840200000000 ] - [ 0.0012330900000000, 0.0003148300000000, 0.0008014000000000 ] - [ -0.0004296400000000, -0.0008436600000000, -0.0012857400000000 ] - [ 0.0004517600000000, 0.0003049600000000, 0.0001899600000000 ] - [ 0.0001136300000000, -0.0011900000000000, -0.0030281900000000 ] - [ -0.0001919300000000, 0.0009353500000000, 0.0006094600000000 ]- atom: 33 displacement: [ -0.0099999932521795, 0.0000000000000000, 0.0000116170720741 ] forces: - [ -0.0045345000000000, 0.0071338200000000, -0.0020568200000000 ] - [ 0.0063804300000000, -0.0049715600000000, 0.0049384300000000 ] - [ -0.0011801300000000, 0.0067363500000000, 0.0019634800000000 ] - [ 0.0034334300000000, -0.0051967700000000, 0.0019031100000000 ] - [ -0.0075832800000000, 0.0005835700000000, 0.0053284200000000 ] - [ 0.0091543900000000, -0.0008920500000000, -0.0061433800000000 ] - [ -0.0006349600000000, -0.0008136200000000, 0.0001099300000000 ] - [ 0.0012656800000000, -0.0004031300000000, -0.0005909800000000 ] - [ -0.0006933900000000, 0.0015991500000000, -0.0002355800000000 ] - [ 0.0005429800000000, -0.0019410700000000, -0.0000533200000000 ] - [ -0.0015277200000000, -0.0009883700000000, -0.0000590700000000 ] - [ 0.0015167700000000, 0.0003090000000000, -0.0008566400000000 ] - [ -0.0044836900000000, -0.0036273200000000, -0.0028529300000000 ] - [ 0.0023264600000000, 0.0006963100000000, 0.0016810300000000 ] - [ -0.0017367600000000, -0.0009144500000000, 0.0014692900000000 ] - [ 0.0014878100000000, -0.0000193800000000, -0.0004512800000000 ] - [ -0.0002785800000000, -0.0020140900000000, -0.0002481200000000 ] - [ -0.0001478800000000, 0.0005366700000000, 0.0006470700000000 ] - [ -0.0059209300000000, -0.0100606700000000, -0.0078270300000000 ] - [ 0.0022444100000000, 0.0041960600000000, 0.0034121400000000 ] - [ -0.0022911900000000, -0.0002519800000000, -0.0011869000000000 ] - [ 0.0019853400000000, 0.0016005400000000, -0.0002763700000000 ] - [ -0.0112602800000000, 0.0006374900000000, 0.0087923100000000 ] - [ 0.0065151500000000, 0.0012790200000000, -0.0135511900000000 ] - [ -0.0658521500000000, 0.0215673200000000, 0.0277869400000000 ] - [ 0.0135404500000000, 0.0025273700000000, -0.0029313300000000 ] - [ -0.0009106200000000, 0.0003077200000000, -0.0013497500000000 ] - [ 0.0018660600000000, -0.0008862300000000, -0.0003848500000000 ] - [ -0.0009957500000000, -0.0004562200000000, 0.0002749400000000 ] - [ 0.0010708300000000, -0.0002202700000000, 0.0003185400000000 ] - [ -0.1395391100000000, 0.0009700500000000, 0.0010860700000000 ] - [ 0.0123776700000000, 0.0020318100000000, 0.0059519600000000 ] - [ 0.3450126200000000, -0.0516390300000000, -0.0811588800000000 ] - [ -0.0066964000000000, 0.0004013100000000, 0.0006331100000000 ] - [ 0.0142811100000000, -0.0006224800000000, 0.0019845100000000 ] - [ -0.0096365800000000, -0.0002268700000000, 0.0016412000000000 ] - [ 0.0002811000000000, -0.0020939600000000, 0.0001718700000000 ] - [ -0.0004720800000000, 0.0014158500000000, -0.0004309200000000 ] - [ 0.0011085300000000, 0.0011012400000000, -0.0004765600000000 ] - [ -0.0021873600000000, -0.0017081800000000, 0.0004994900000000 ] - [ 0.0013252700000000, 0.0001977700000000, -0.0013918200000000 ] - [ -0.0015112300000000, -0.0020507700000000, 0.0021782500000000 ] - [ 0.0008109700000000, 0.0002674700000000, 0.0007430700000000 ] - [ -0.0004998800000000, -0.0001493600000000, 0.0001613700000000 ] - [ 0.0039616300000000, 0.0015331100000000, 0.0009489600000000 ] - [ -0.0037108400000000, -0.0001135600000000, -0.0011600900000000 ] - [ 0.0017171600000000, -0.0005814200000000, 0.0004063800000000 ] - [ -0.0010151100000000, -0.0000814100000000, -0.0000164100000000 ] - [ 0.0010640400000000, 0.0008308100000000, 0.0003924000000000 ] - [ -0.0011775700000000, 0.0000420100000000, 0.0002326300000000 ] - [ 0.0000961400000000, -0.0001224900000000, 0.0006561500000000 ] - [ -0.0007521400000000, 0.0001960700000000, 0.0002427800000000 ] - [ 0.0004221100000000, -0.0003226200000000, 0.0002008400000000 ] - [ -0.0017136600000000, 0.0003938500000000, 0.0002726500000000 ] - [ 0.0004806700000000, 0.0001139300000000, -0.0002795400000000 ] - [ -0.0006053100000000, 0.0002255100000000, 0.0002469800000000 ] - [ 0.0025112100000000, -0.0000875500000000, 0.0008819000000000 ] - [ -0.0017512700000000, 0.0009259700000000, -0.0000230400000000 ] - [ 0.0004991600000000, 0.0048859500000000, -0.0002348700000000 ] - [ -0.0002915200000000, -0.0012644100000000, -0.0010565900000000 ] - [ 0.0018593400000000, -0.0011390000000000, -0.0004382800000000 ] - [ -0.0009741000000000, 0.0009740700000000, 0.0009416700000000 ] - [ -0.0336179500000000, -0.0216447800000000, 0.0295452700000000 ] - [ -0.0093763800000000, 0.0033352100000000, -0.0067697300000000 ] - [ 0.0005728000000000, 0.0006501900000000, 0.0004395400000000 ] - [ -0.0001610500000000, -0.0000119800000000, 0.0004532100000000 ] - [ -0.0353067600000000, -0.0084405700000000, -0.0177254900000000 ] - [ -0.0379013100000000, 0.0083859300000000, 0.0278465600000000 ] - [ 0.0050814900000000, 0.0200939800000000, 0.0066213000000000 ] - [ -0.0028206500000000, -0.0024109000000000, 0.0001391000000000 ] - [ -0.0350117000000000, 0.0344070700000000, 0.0078471300000000 ] - [ -0.0098582200000000, -0.0096250900000000, -0.0027304200000000 ] - [ 0.0007908600000000, 0.0005505800000000, -0.0006359300000000 ] - [ -0.0013979700000000, 0.0003468300000000, 0.0003648800000000 ] - [ 0.0011842400000000, 0.0026167200000000, -0.0001182900000000 ] - [ -0.0008046200000000, -0.0002706200000000, -0.0002291400000000 ] - [ 0.0005345000000000, 0.0010733600000000, 0.0015037600000000 ] - [ -0.0003547600000000, -0.0000976800000000, 0.0000036600000000 ] - [ -0.0002057200000000, 0.0014124400000000, 0.0028657300000000 ] - [ 0.0000802500000000, -0.0007275800000000, -0.0007984900000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0062971300000000, -0.0072531900000000, 0.0060741800000000 ] - [ 0.0023169700000000, -0.0017637500000000, 0.0041597700000000 ] - [ -0.0023085600000000, -0.0032283200000000, 0.0008720400000000 ] - [ 0.0056899700000000, -0.0052350900000000, 0.0053804700000000 ] - [ -0.0006777200000000, 0.0070581800000000, 0.0000239600000000 ] - [ -0.0007426500000000, 0.0035827500000000, 0.0017792700000000 ] - [ 0.0006368400000000, -0.0029662900000000, 0.0005900100000000 ] - [ -0.0007972700000000, -0.0038371400000000, 0.0012157000000000 ] - [ -0.0008614900000000, -0.0002725300000000, -0.0010630600000000 ] - [ 0.0011429000000000, -0.0001544000000000, -0.0009758000000000 ] - [ -0.0007976200000000, -0.0029893800000000, -0.0008969200000000 ] - [ 0.0007002200000000, -0.0021889600000000, 0.0000039100000000 ] - [ -0.0076436200000000, -0.0086950500000000, -0.0056050400000000 ] - [ 0.0011508600000000, -0.0008211200000000, 0.0009677400000000 ] - [ 0.0001963900000000, -0.0050870700000000, -0.0017033300000000 ] - [ 0.0002538900000000, -0.0023745700000000, -0.0000451200000000 ] - [ -0.0001612600000000, -0.0027899100000000, 0.0001358900000000 ] - [ -0.0002419700000000, -0.0033946600000000, 0.0001713700000000 ] - [ 0.0005294500000000, -0.0058217400000000, -0.0046233100000000 ] - [ -0.0003206300000000, 0.0001465800000000, -0.0019043600000000 ] - [ 0.0002135100000000, 0.0031114000000000, -0.0011639600000000 ] - [ -0.0000589800000000, 0.0046001100000000, 0.0001396100000000 ] - [ -0.0033116800000000, 0.0025300900000000, -0.0013322900000000 ] - [ 0.0002699600000000, 0.0010781100000000, -0.0028318000000000 ] - [ -0.0169233200000000, 0.0660695400000000, 0.0425287800000000 ] - [ -0.0001578400000000, -0.0000500000000000, 0.0010582500000000 ] - [ -0.0012704700000000, -0.0005551400000000, -0.0038859300000000 ] - [ 0.0010598800000000, -0.0005890000000000, -0.0016340200000000 ] - [ -0.0000862800000000, -0.0019388100000000, 0.0001307800000000 ] - [ -0.0001739100000000, -0.0013795100000000, 0.0000987800000000 ] - [ -0.0025800800000000, 0.0450643800000000, 0.0065123600000000 ] - [ 0.0005094900000000, 0.0067627000000000, 0.0012902100000000 ] - [ 0.0511851600000000, -0.1593195500000000, -0.0839487900000000 ] - [ 0.0002915700000000, -0.0021983400000000, -0.0004448200000000 ] - [ 0.0015744600000000, -0.0064997300000000, 0.0139062800000000 ] - [ -0.0001738600000000, -0.0003869100000000, -0.0006742600000000 ] - [ -0.0008116100000000, 0.0068889100000000, -0.0002244500000000 ] - [ -0.0001906200000000, 0.0016629900000000, -0.0000314600000000 ] - [ 0.0002602100000000, 0.0001656000000000, -0.0018059800000000 ] - [ -0.0002813200000000, 0.0003411900000000, -0.0008399900000000 ] - [ -0.0001685800000000, -0.0032303300000000, 0.0002830000000000 ] - [ -0.0008494500000000, -0.0033158500000000, -0.0001556000000000 ] - [ 0.0002212700000000, 0.0008675800000000, 0.0006442900000000 ] - [ 0.0003510300000000, 0.0009743500000000, 0.0005877600000000 ] - [ 0.0002507200000000, 0.0051839700000000, 0.0034615300000000 ] - [ 0.0000165500000000, 0.0004257200000000, 0.0006291200000000 ] - [ 0.0000988200000000, -0.0021226500000000, 0.0000977900000000 ] - [ 0.0006014400000000, -0.0019957300000000, -0.0004891600000000 ] - [ -0.0002701800000000, 0.0004701200000000, -0.0005462800000000 ] - [ 0.0030386700000000, -0.0002004400000000, -0.0031481600000000 ] - [ 0.0001098200000000, 0.0013286200000000, 0.0010034700000000 ] - [ -0.0003734900000000, 0.0006986700000000, 0.0005313600000000 ] - [ -0.0003613300000000, 0.0009675400000000, 0.0003285300000000 ] - [ -0.0010665400000000, 0.0010275700000000, -0.0003790800000000 ] - [ -0.0002417600000000, 0.0014322800000000, 0.0000792100000000 ] - [ -0.0003421000000000, 0.0009105900000000, 0.0000581600000000 ] - [ 0.0025867000000000, 0.0011226800000000, 0.0014849200000000 ] - [ -0.0016472600000000, 0.0008644300000000, 0.0006317200000000 ] - [ -0.0003741200000000, 0.0036232500000000, -0.0004915400000000 ] - [ 0.0021450200000000, 0.0026133100000000, 0.0015783100000000 ] - [ 0.0008219200000000, -0.0005753300000000, -0.0002152900000000 ] - [ 0.0006242100000000, -0.0009528100000000, 0.0005412400000000 ] - [ 0.0188498000000000, -0.0034509800000000, -0.0126891500000000 ] - [ -0.0035294400000000, -0.0015338200000000, -0.0010565400000000 ] - [ -0.0000077900000000, 0.0026447800000000, 0.0005294500000000 ] - [ -0.0000683800000000, 0.0019629900000000, 0.0003188700000000 ] - [ 0.0067034200000000, -0.0048905700000000, 0.0011547800000000 ] - [ -0.0071860800000000, -0.0045772500000000, 0.0023699400000000 ] - [ -0.0142538600000000, 0.0504945700000000, 0.0189212900000000 ] - [ -0.0004718300000000, 0.0001054000000000, 0.0001993700000000 ] - [ -0.0331828500000000, 0.0155829900000000, 0.0053270200000000 ] - [ 0.0056848700000000, -0.0004781000000000, -0.0002467200000000 ] - [ -0.0001393100000000, 0.0020778600000000, 0.0000074000000000 ] - [ -0.0003296700000000, 0.0020242700000000, 0.0000715900000000 ] - [ 0.0012829900000000, 0.0083178800000000, -0.0002134000000000 ] - [ 0.0003718900000000, 0.0020741300000000, 0.0002895300000000 ] - [ 0.0002354300000000, 0.0019180500000000, 0.0034644400000000 ] - [ 0.0001175900000000, 0.0006361000000000, 0.0003735700000000 ] - [ -0.0007111900000000, 0.0002579500000000, 0.0024359500000000 ] - [ 0.0003512100000000, -0.0005561300000000, 0.0008226600000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0057681000000000, 0.0073555600000000, -0.0060693200000000 ] - [ -0.0028357800000000, 0.0017803200000000, -0.0041241400000000 ] - [ 0.0028305300000000, 0.0031512300000000, -0.0009370800000000 ] - [ -0.0052339600000000, 0.0052194500000000, -0.0054756700000000 ] - [ 0.0002467800000000, -0.0070581000000000, 0.0000091900000000 ] - [ 0.0001964400000000, -0.0035442900000000, -0.0017055300000000 ] - [ -0.0001235900000000, 0.0029697200000000, -0.0006231800000000 ] - [ 0.0012766500000000, 0.0038304100000000, -0.0012367800000000 ] - [ 0.0003577200000000, 0.0004090800000000, 0.0016428000000000 ] - [ -0.0016627000000000, 0.0002904200000000, 0.0015571600000000 ] - [ 0.0010969900000000, 0.0029276500000000, 0.0011856000000000 ] - [ -0.0004254700000000, 0.0021212100000000, 0.0002899600000000 ] - [ 0.0079333900000000, 0.0087799400000000, 0.0063339900000000 ] - [ -0.0009456600000000, 0.0008878100000000, -0.0002840100000000 ] - [ 0.0001064000000000, 0.0051253300000000, 0.0019593000000000 ] - [ 0.0000195000000000, 0.0024123600000000, 0.0003340200000000 ] - [ -0.0003434200000000, 0.0026251100000000, 0.0004353800000000 ] - [ -0.0002690100000000, 0.0032132600000000, 0.0003960100000000 ] - [ -0.0007219900000000, 0.0059523900000000, 0.0039595500000000 ] - [ 0.0000940800000000, -0.0000364700000000, 0.0012118000000000 ] - [ -0.0004844600000000, -0.0031324900000000, 0.0008785900000000 ] - [ -0.0002293900000000, -0.0046052400000000, -0.0004121000000000 ] - [ 0.0030728600000000, -0.0026062400000000, 0.0005799900000000 ] - [ -0.0004945200000000, -0.0011496300000000, 0.0021600400000000 ] - [ 0.0193206200000000, -0.0673183700000000, -0.0459269100000000 ] - [ 0.0005933700000000, -0.0001375000000000, -0.0016086300000000 ] - [ 0.0017667200000000, 0.0007363100000000, 0.0033027500000000 ] - [ -0.0005551100000000, 0.0007641800000000, 0.0010615600000000 ] - [ 0.0003127200000000, 0.0018502700000000, 0.0005563500000000 ] - [ 0.0003826600000000, 0.0012922200000000, 0.0005892700000000 ] - [ 0.0029473500000000, -0.0447902500000000, -0.0067506400000000 ] - [ -0.0008164800000000, -0.0067085900000000, -0.0015864200000000 ] - [ -0.0531516900000000, 0.1606509000000000, 0.0869457400000000 ] - [ 0.0007472400000000, 0.0025314300000000, 0.0003739700000000 ] - [ -0.0017739400000000, 0.0063814900000000, -0.0143740400000000 ] - [ 0.0000064900000000, 0.0001032200000000, -0.0000103500000000 ] - [ 0.0004462500000000, -0.0070563200000000, -0.0001823100000000 ] - [ -0.0001577200000000, -0.0019151700000000, -0.0003648700000000 ] - [ -0.0006218500000000, 0.0000967800000000, 0.0014206000000000 ] - [ -0.0000518900000000, -0.0000607300000000, 0.0004323700000000 ] - [ -0.0002720000000000, 0.0031546300000000, -0.0008467400000000 ] - [ 0.0003972500000000, 0.0032386300000000, -0.0004354300000000 ] - [ -0.0000265800000000, -0.0011460000000000, 0.0000349700000000 ] - [ -0.0001445300000000, -0.0012506700000000, 0.0000936400000000 ] - [ -0.0004778200000000, -0.0048163300000000, -0.0040875500000000 ] - [ -0.0002131400000000, -0.0001516000000000, -0.0013049000000000 ] - [ 0.0009063100000000, 0.0017576900000000, -0.0001671600000000 ] - [ 0.0004223900000000, 0.0016313500000000, 0.0004167500000000 ] - [ 0.0006164900000000, -0.0002290400000000, 0.0009414900000000 ] - [ -0.0026359100000000, 0.0004330900000000, 0.0035006400000000 ] - [ -0.0007568900000000, -0.0020245400000000, -0.0003749500000000 ] - [ -0.0002743100000000, -0.0014005000000000, 0.0000935600000000 ] - [ -0.0006620500000000, -0.0013033200000000, -0.0002636600000000 ] - [ 0.0000587500000000, -0.0013634500000000, 0.0004490600000000 ] - [ 0.0003394800000000, -0.0016404900000000, 0.0001228400000000 ] - [ 0.0004435800000000, -0.0011185400000000, 0.0001362800000000 ] - [ -0.0024139300000000, -0.0008328900000000, -0.0008161000000000 ] - [ 0.0018686300000000, -0.0005780800000000, 0.0000392200000000 ] - [ 0.0010215300000000, -0.0029409200000000, -0.0001353500000000 ] - [ -0.0014680000000000, -0.0019128900000000, -0.0021750800000000 ] - [ -0.0001566300000000, -0.0001018000000000, -0.0004029100000000 ] - [ 0.0000067300000000, 0.0002843400000000, -0.0011845900000000 ] - [ -0.0183812900000000, 0.0034165000000000, 0.0130119400000000 ] - [ 0.0038955200000000, 0.0013016400000000, 0.0014785600000000 ] - [ 0.0004437100000000, -0.0026862600000000, 0.0000474700000000 ] - [ 0.0005098500000000, -0.0019992200000000, 0.0002587500000000 ] - [ -0.0066395900000000, 0.0047590000000000, -0.0013016900000000 ] - [ 0.0071777600000000, 0.0044216500000000, -0.0026167900000000 ] - [ 0.0140411400000000, -0.0507890500000000, -0.0187164200000000 ] - [ -0.0001643900000000, 0.0006204800000000, 0.0004286100000000 ] - [ 0.0323287800000000, -0.0154430300000000, -0.0058597200000000 ] - [ -0.0060852700000000, 0.0005019300000000, -0.0003368900000000 ] - [ -0.0008907400000000, -0.0017286700000000, 0.0000667400000000 ] - [ -0.0006756800000000, -0.0016739900000000, -0.0000061700000000 ] - [ -0.0008527300000000, -0.0082918100000000, 0.0008043000000000 ] - [ 0.0000765400000000, -0.0020109700000000, 0.0002910000000000 ] - [ -0.0001379900000000, -0.0017061100000000, -0.0032989800000000 ] - [ -0.0000123800000000, -0.0004171400000000, -0.0001795000000000 ] - [ 0.0006101400000000, -0.0000581900000000, -0.0026307400000000 ] - [ -0.0004469600000000, 0.0007558200000000, -0.0010184800000000 ]- atom: 33 displacement: [ -0.0001950079929100, 0.0000000000000000, 0.0099980984133335 ] forces: - [ 0.0007393700000000, 0.0029648900000000, 0.0024569800000000 ] - [ 0.0008326000000000, -0.0009871100000000, 0.0022374300000000 ] - [ -0.0000058700000000, 0.0039854400000000, 0.0031006200000000 ] - [ 0.0019222000000000, -0.0003036500000000, 0.0038632500000000 ] - [ -0.0042093300000000, 0.0015075300000000, -0.0191543100000000 ] - [ 0.0017770600000000, -0.0017190300000000, -0.0068815700000000 ] - [ -0.0003252200000000, -0.0001381000000000, -0.0003064800000000 ] - [ 0.0008635600000000, -0.0000688500000000, -0.0008326100000000 ] - [ -0.0006187400000000, -0.0010888800000000, -0.0004161600000000 ] - [ 0.0011303300000000, 0.0022944100000000, -0.0007259000000000 ] - [ 0.0002541900000000, 0.0002067300000000, -0.0015847500000000 ] - [ 0.0001984800000000, 0.0003345100000000, -0.0007741500000000 ] - [ -0.0017731500000000, -0.0031255800000000, -0.0020595200000000 ] - [ 0.0002272200000000, -0.0003174600000000, 0.0005229100000000 ] - [ -0.0008088400000000, -0.0002606000000000, 0.0014254400000000 ] - [ 0.0005785900000000, 0.0000808300000000, -0.0000587300000000 ] - [ -0.0002352100000000, -0.0006884800000000, 0.0002707300000000 ] - [ -0.0003180400000000, 0.0003595800000000, 0.0004401600000000 ] - [ 0.0010608600000000, -0.0025000300000000, -0.0020354900000000 ] - [ 0.0002115500000000, -0.0006226100000000, 0.0000651700000000 ] - [ -0.0000840000000000, 0.0013672400000000, -0.0011667100000000 ] - [ 0.0002159700000000, -0.0011029100000000, -0.0002953900000000 ] - [ -0.0115969300000000, 0.0001479500000000, -0.0054598000000000 ] - [ 0.0012912300000000, -0.0004324700000000, -0.0089223400000000 ] - [ -0.0251629800000000, 0.0408911000000000, 0.0903851100000000 ] - [ -0.0044095800000000, -0.0016936400000000, 0.0023506700000000 ] - [ -0.0004681800000000, -0.0002781300000000, -0.0024047100000000 ] - [ 0.0003600100000000, -0.0002493900000000, -0.0002815100000000 ] - [ -0.0002470100000000, -0.0002719300000000, 0.0005223900000000 ] - [ 0.0004966900000000, -0.0000542300000000, 0.0003402900000000 ] - [ -0.0152989900000000, 0.0060820500000000, 0.0453775000000000 ] - [ 0.0020114300000000, 0.0015650200000000, 0.0058900900000000 ] - [ 0.0858960100000000, -0.0839495500000000, -0.2101466700000000 ] - [ -0.0002771900000000, -0.0002241700000000, -0.0015972000000000 ] - [ 0.0010352700000000, 0.0172015900000000, 0.0720110100000000 ] - [ 0.0007642600000000, -0.0001844500000000, 0.0034474800000000 ] - [ 0.0000364200000000, -0.0021141500000000, 0.0001589600000000 ] - [ -0.0002171800000000, 0.0004772000000000, -0.0003173200000000 ] - [ 0.0001184900000000, -0.0020928700000000, -0.0011607700000000 ] - [ -0.0008483900000000, -0.0011143300000000, 0.0005692700000000 ] - [ 0.0016656100000000, -0.0016514000000000, 0.0023867700000000 ] - [ 0.0015448800000000, 0.0012812900000000, 0.0030764800000000 ] - [ 0.0002409100000000, 0.0000543900000000, 0.0004484300000000 ] - [ -0.0000983800000000, -0.0002275000000000, 0.0002411200000000 ] - [ -0.0000446300000000, 0.0043275200000000, 0.0012858700000000 ] - [ -0.0007187100000000, 0.0003865300000000, -0.0004064100000000 ] - [ 0.0000873300000000, -0.0003013400000000, 0.0008650800000000 ] - [ 0.0004695600000000, 0.0002905600000000, -0.0000017500000000 ] - [ 0.0006335600000000, -0.0000569000000000, 0.0001877700000000 ] - [ -0.0010219300000000, 0.0007052200000000, 0.0009917400000000 ] - [ -0.0000120800000000, 0.0001208800000000, 0.0008696700000000 ] - [ -0.0003594500000000, -0.0000999800000000, 0.0003590300000000 ] - [ -0.0006580200000000, 0.0001180600000000, 0.0006869500000000 ] - [ -0.0007624500000000, -0.0005859900000000, 0.0000310200000000 ] - [ 0.0002135200000000, 0.0000697700000000, -0.0002947500000000 ] - [ -0.0001670000000000, -0.0000132000000000, 0.0001207000000000 ] - [ 0.0010891200000000, 0.0009031200000000, 0.0005904200000000 ] - [ -0.0004213400000000, -0.0000641800000000, 0.0010397000000000 ] - [ 0.0002756500000000, 0.0016913900000000, -0.0005511100000000 ] - [ -0.0005183300000000, -0.0000074700000000, -0.0013075700000000 ] - [ 0.0036053500000000, 0.0011603900000000, 0.0025233000000000 ] - [ 0.0034468900000000, -0.0030195000000000, 0.0048748300000000 ] - [ -0.0314815200000000, -0.0149082100000000, 0.0148331900000000 ] - [ 0.0016587400000000, -0.0001138500000000, 0.0003414900000000 ] - [ 0.0002941100000000, -0.0001667600000000, 0.0006620100000000 ] - [ 0.0002104900000000, -0.0001944400000000, 0.0004841000000000 ] - [ 0.0227829700000000, 0.0037035700000000, 0.0012199000000000 ] - [ -0.0195730300000000, 0.0028677800000000, 0.0074373000000000 ] - [ -0.0039793200000000, 0.0162582900000000, -0.0030494300000000 ] - [ -0.0000451500000000, 0.0012846000000000, -0.0007888200000000 ] - [ -0.0144242900000000, 0.0093493500000000, -0.0073252600000000 ] - [ 0.0017249500000000, -0.0002341400000000, -0.0019179100000000 ] - [ 0.0001829300000000, 0.0002061500000000, -0.0004345400000000 ] - [ -0.0008533900000000, 0.0001340500000000, 0.0001498400000000 ] - [ 0.0004273900000000, 0.0016455800000000, -0.0003867600000000 ] - [ -0.0002250700000000, 0.0000950000000000, -0.0001506800000000 ] - [ -0.0005899400000000, 0.0006255200000000, 0.0012162600000000 ] - [ 0.0004318500000000, 0.0004362100000000, 0.0002434900000000 ] - [ -0.0002879900000000, -0.0001317000000000, 0.0006785700000000 ] - [ 0.0001392300000000, 0.0001778900000000, -0.0000834200000000 ]- atom: 33 displacement: [ 0.0001950079929100, 0.0000000000000000, -0.0099980984133335 ] forces: - [ -0.0011741200000000, -0.0029010700000000, -0.0024734100000000 ] - [ -0.0013775900000000, 0.0010072200000000, -0.0022402000000000 ] - [ 0.0004917200000000, -0.0040161600000000, -0.0031227500000000 ] - [ -0.0014095000000000, 0.0003150700000000, -0.0038535600000000 ] - [ 0.0035765100000000, -0.0015318000000000, 0.0195291000000000 ] - [ -0.0023372100000000, 0.0017061100000000, 0.0069614200000000 ] - [ 0.0008238200000000, 0.0001596900000000, 0.0002592900000000 ] - [ -0.0003628300000000, 0.0000916800000000, 0.0007821800000000 ] - [ 0.0001094500000000, 0.0012681000000000, 0.0009725500000000 ] - [ -0.0016266200000000, -0.0020382500000000, 0.0012761100000000 ] - [ 0.0000410500000000, -0.0002269900000000, 0.0018510500000000 ] - [ 0.0000733800000000, -0.0003743000000000, 0.0010645200000000 ] - [ 0.0019453300000000, 0.0031779000000000, 0.0026999000000000 ] - [ -0.0000240400000000, 0.0004038200000000, 0.0001562500000000 ] - [ 0.0010932800000000, 0.0003137900000000, -0.0011312700000000 ] - [ -0.0002989000000000, -0.0000242000000000, 0.0003459700000000 ] - [ -0.0002725300000000, 0.0005386800000000, 0.0003072000000000 ] - [ -0.0001891300000000, -0.0005201500000000, 0.0001310700000000 ] - [ -0.0012208100000000, 0.0026747400000000, 0.0014246000000000 ] - [ -0.0004442400000000, 0.0007038000000000, -0.0007437200000000 ] - [ -0.0001780500000000, -0.0014347600000000, 0.0008862500000000 ] - [ -0.0005156500000000, 0.0009903400000000, 0.0000127600000000 ] - [ 0.0114637700000000, -0.0002743100000000, 0.0046154700000000 ] - [ -0.0015582300000000, 0.0003153400000000, 0.0082001200000000 ] - [ 0.0291536900000000, -0.0452348400000000, -0.0950838500000000 ] - [ 0.0048118900000000, 0.0014956900000000, -0.0029133200000000 ] - [ 0.0009788700000000, 0.0004361500000000, 0.0018464700000000 ] - [ 0.0001354600000000, 0.0004222400000000, -0.0002736400000000 ] - [ 0.0004713000000000, 0.0001953500000000, 0.0001756600000000 ] - [ -0.0002798700000000, -0.0000233100000000, 0.0003531700000000 ] - [ 0.0153442400000000, -0.0059349700000000, -0.0454272400000000 ] - [ -0.0023260000000000, -0.0015712700000000, -0.0062039900000000 ] - [ -0.0888865700000000, 0.0889868700000000, 0.2152725100000000 ] - [ 0.0013314700000000, 0.0005863200000000, 0.0015216400000000 ] - [ -0.0012314100000000, -0.0179189800000000, -0.0740923800000000 ] - [ -0.0008935100000000, -0.0000894700000000, -0.0041063800000000 ] - [ -0.0003878800000000, 0.0018447500000000, -0.0005559500000000 ] - [ -0.0001324000000000, -0.0007380100000000, -0.0000803400000000 ] - [ -0.0004784400000000, 0.0022908600000000, 0.0007395800000000 ] - [ 0.0004985100000000, 0.0013599700000000, -0.0009710900000000 ] - [ -0.0021199400000000, 0.0016174700000000, -0.0029453600000000 ] - [ -0.0019300100000000, -0.0012601700000000, -0.0036313800000000 ] - [ -0.0000453300000000, -0.0003393900000000, 0.0002250400000000 ] - [ 0.0003001900000000, -0.0000569800000000, 0.0004351400000000 ] - [ -0.0001958400000000, -0.0040008600000000, -0.0019759400000000 ] - [ 0.0005285900000000, -0.0001101700000000, -0.0002789000000000 ] - [ 0.0009167800000000, -0.0000210100000000, -0.0009278200000000 ] - [ 0.0005597800000000, -0.0006191800000000, -0.0000683200000000 ] - [ -0.0002825300000000, 0.0003062700000000, 0.0002186100000000 ] - [ 0.0013588800000000, -0.0004417800000000, -0.0005692800000000 ] - [ -0.0006375500000000, -0.0008179600000000, -0.0002469300000000 ] - [ -0.0002874500000000, -0.0006028500000000, 0.0002634200000000 ] - [ -0.0003641000000000, -0.0004685700000000, -0.0006153400000000 ] - [ -0.0002424700000000, 0.0002197900000000, 0.0000280500000000 ] - [ -0.0001147600000000, -0.0002823300000000, 0.0004850400000000 ] - [ 0.0002711900000000, -0.0002029900000000, 0.0000724500000000 ] - [ -0.0008813100000000, -0.0006204400000000, 0.0000988600000000 ] - [ 0.0006268700000000, 0.0003267500000000, -0.0003399100000000 ] - [ 0.0003774100000000, -0.0010316000000000, -0.0000749200000000 ] - [ 0.0011650400000000, 0.0007002200000000, 0.0006772400000000 ] - [ -0.0030010600000000, -0.0018627600000000, -0.0031336300000000 ] - [ -0.0026716100000000, 0.0022360200000000, -0.0054183900000000 ] - [ 0.0316092000000000, 0.0145317900000000, -0.0145367400000000 ] - [ -0.0012647600000000, -0.0001437200000000, 0.0000075500000000 ] - [ 0.0001462000000000, 0.0001006200000000, -0.0000798100000000 ] - [ 0.0002340100000000, 0.0001361400000000, 0.0000930500000000 ] - [ -0.0228287300000000, -0.0039212000000000, -0.0013376700000000 ] - [ 0.0197411100000000, -0.0031174800000000, -0.0076777300000000 ] - [ 0.0032620600000000, -0.0153107600000000, 0.0038464300000000 ] - [ -0.0005899900000000, -0.0005734200000000, 0.0014111900000000 ] - [ 0.0141856800000000, -0.0095084300000000, 0.0065119600000000 ] - [ -0.0021876700000000, 0.0002904400000000, 0.0013280200000000 ] - [ -0.0011972400000000, 0.0001320100000000, 0.0005021200000000 ] - [ -0.0001602800000000, 0.0002048000000000, -0.0000816800000000 ] - [ 0.0000118300000000, -0.0015847200000000, 0.0009574900000000 ] - [ 0.0006700600000000, -0.0000527700000000, 0.0007312300000000 ] - [ 0.0006788700000000, -0.0004263700000000, -0.0009884000000000 ] - [ -0.0003311300000000, -0.0002319600000000, -0.0000437300000000 ] - [ 0.0001877000000000, 0.0003318600000000, -0.0009098500000000 ] - [ -0.0002359000000000, 0.0000440600000000, -0.0001229500000000 ]- atom: 35 displacement: [ 0.0099999932521795, 0.0000000000000000, -0.0000116170720741 ] forces: - [ 0.0017917300000000, -0.0040613500000000, -0.0001739200000000 ] - [ -0.0028328900000000, 0.0018378100000000, 0.0011062000000000 ] - [ 0.0025076600000000, -0.0017799600000000, -0.0004058000000000 ] - [ -0.0040304000000000, 0.0032445700000000, -0.0028709100000000 ] - [ 0.0097188100000000, -0.0008208700000000, 0.0044537000000000 ] - [ -0.0125374800000000, -0.0005341100000000, -0.0092120300000000 ] - [ 0.0005343700000000, 0.0003650600000000, -0.0000428300000000 ] - [ -0.0002571000000000, 0.0004557100000000, 0.0003189500000000 ] - [ 0.0011449600000000, -0.0119810000000000, 0.0037122500000000 ] - [ -0.0013231200000000, 0.0067420000000000, -0.0005153400000000 ] - [ 0.0036836800000000, 0.0011194600000000, 0.0005298600000000 ] - [ -0.0029960500000000, -0.0009597100000000, 0.0002329700000000 ] - [ 0.0059772600000000, 0.0044606900000000, 0.0026290600000000 ] - [ -0.0032757800000000, -0.0006297000000000, 0.0006923100000000 ] - [ 0.0012530600000000, 0.0009438200000000, -0.0003870000000000 ] - [ -0.0007778300000000, -0.0000850100000000, 0.0004285000000000 ] - [ -0.0001741500000000, 0.0003795200000000, 0.0002296500000000 ] - [ -0.0003343000000000, -0.0002542100000000, 0.0000736000000000 ] - [ 0.0018377700000000, 0.0007038600000000, -0.0013844700000000 ] - [ -0.0017574300000000, -0.0010999600000000, -0.0010374300000000 ] - [ 0.0060013300000000, 0.0115721400000000, -0.0014298800000000 ] - [ -0.0029962400000000, -0.0047485300000000, 0.0005139400000000 ] - [ 0.1481983700000000, -0.0088756400000000, 0.0044594700000000 ] - [ -0.0130745600000000, -0.0013149900000000, 0.0050671300000000 ] - [ 0.0713768300000000, -0.0104448500000000, 0.0393760000000000 ] - [ -0.0139900400000000, -0.0038126600000000, -0.0010440300000000 ] - [ 0.0008952200000000, 0.0000484000000000, -0.0007294600000000 ] - [ -0.0013261000000000, 0.0011242200000000, -0.0006167000000000 ] - [ 0.0008722000000000, 0.0002076100000000, 0.0003698500000000 ] - [ -0.0006931300000000, -0.0000666200000000, -0.0000773300000000 ] - [ 0.0105206100000000, 0.0035396500000000, 0.0089758600000000 ] - [ -0.0062433000000000, -0.0054297400000000, -0.0125071800000000 ] - [ -0.0137967700000000, 0.0017943300000000, 0.0005483500000000 ] - [ 0.0099948100000000, 0.0000860300000000, 0.0009995900000000 ] - [ -0.3624087700000000, 0.0330894700000000, -0.1049085100000000 ] - [ 0.0079726000000000, -0.0002628500000000, 0.0002826800000000 ] - [ -0.0005139300000000, 0.0002048900000000, -0.0004447400000000 ] - [ 0.0002285600000000, -0.0004940500000000, -0.0002989200000000 ] - [ -0.0016100700000000, -0.0013578600000000, 0.0005545100000000 ] - [ 0.0017046100000000, 0.0030779200000000, 0.0013291400000000 ] - [ 0.0277116900000000, -0.0223301900000000, 0.0211248900000000 ] - [ 0.0060068300000000, 0.0053370600000000, -0.0051284900000000 ] - [ -0.0003872800000000, -0.0002425400000000, 0.0003510600000000 ] - [ 0.0006467600000000, -0.0001959900000000, 0.0005166600000000 ] - [ -0.0012377600000000, 0.0002436100000000, -0.0000321700000000 ] - [ 0.0011753500000000, 0.0001314000000000, 0.0000322600000000 ] - [ -0.0035145400000000, -0.0005511700000000, -0.0000262300000000 ] - [ 0.0040978900000000, -0.0002746300000000, -0.0005853100000000 ] - [ -0.0001641400000000, -0.0025840300000000, -0.0009898400000000 ] - [ 0.0006356300000000, 0.0008777400000000, 0.0003250400000000 ] - [ -0.0006035400000000, -0.0004841200000000, 0.0003098600000000 ] - [ 0.0000910600000000, -0.0007699500000000, 0.0003965500000000 ] - [ -0.0028832500000000, 0.0023141800000000, 0.0009678300000000 ] - [ 0.0013151500000000, -0.0019342900000000, -0.0004592600000000 ] - [ -0.0001486400000000, -0.0003140700000000, 0.0002916800000000 ] - [ 0.0002609500000000, -0.0001089000000000, 0.0001868400000000 ] - [ -0.0032439000000000, 0.0023331500000000, -0.0019249500000000 ] - [ 0.0026403400000000, -0.0011724700000000, 0.0011816700000000 ] - [ 0.0001331000000000, -0.0002576100000000, -0.0000885800000000 ] - [ 0.0006311200000000, 0.0008956800000000, -0.0001088300000000 ] - [ 0.0364671900000000, 0.0219194600000000, 0.0234917500000000 ] - [ 0.0128905800000000, -0.0063975600000000, -0.0058742100000000 ] - [ -0.0023518700000000, -0.0004223600000000, -0.0004142700000000 ] - [ 0.0024390800000000, -0.0001902700000000, 0.0028268800000000 ] - [ -0.0004819500000000, -0.0006383300000000, 0.0001075600000000 ] - [ 0.0008540500000000, 0.0004578600000000, 0.0004226100000000 ] - [ 0.0380648800000000, -0.0004668700000000, -0.0208146800000000 ] - [ 0.0396230800000000, 0.0028433600000000, 0.0303071200000000 ] - [ -0.0017663800000000, -0.0152805500000000, 0.0143861100000000 ] - [ 0.0020182300000000, 0.0029567000000000, -0.0000435700000000 ] - [ -0.0016390000000000, -0.0015695200000000, -0.0012965700000000 ] - [ 0.0005010200000000, 0.0029421900000000, 0.0013083600000000 ] - [ -0.0012085100000000, 0.0000500400000000, 0.0001620300000000 ] - [ 0.0000830200000000, -0.0000725800000000, -0.0001516500000000 ] - [ -0.0006558700000000, -0.0023147400000000, 0.0002473200000000 ] - [ 0.0009114900000000, 0.0005343300000000, 0.0000435300000000 ] - [ -0.0013113400000000, -0.0026421400000000, -0.0006785400000000 ] - [ 0.0033853200000000, 0.0029702600000000, -0.0010184000000000 ] - [ -0.0002284600000000, -0.0025360300000000, 0.0019375600000000 ] - [ -0.0000224200000000, 0.0009603900000000, -0.0000867100000000 ]- atom: 35 displacement: [ -0.0099999932521795, 0.0000000000000000, 0.0000116170720741 ] forces: - [ -0.0022784000000000, 0.0040968400000000, 0.0002088900000000 ] - [ 0.0023475500000000, -0.0018755700000000, -0.0010831100000000 ] - [ -0.0020507800000000, 0.0017932400000000, 0.0003737500000000 ] - [ 0.0046023800000000, -0.0033076700000000, 0.0028661300000000 ] - [ -0.0101161900000000, 0.0007617400000000, -0.0045575500000000 ] - [ 0.0121430500000000, 0.0005499800000000, 0.0093638600000000 ] - [ -0.0000453500000000, -0.0003627400000000, 0.0000024700000000 ] - [ 0.0007681500000000, -0.0004545400000000, -0.0003599500000000 ] - [ -0.0017109100000000, 0.0122677500000000, -0.0031939600000000 ] - [ 0.0008558700000000, -0.0065527700000000, 0.0010733200000000 ] - [ -0.0034414200000000, -0.0011957300000000, -0.0002437900000000 ] - [ 0.0033066700000000, 0.0009284200000000, 0.0000508400000000 ] - [ -0.0058142900000000, -0.0044547700000000, -0.0019537900000000 ] - [ 0.0035218800000000, 0.0007272400000000, -0.0000081400000000 ] - [ -0.0009842100000000, -0.0009089000000000, 0.0006786600000000 ] - [ 0.0010730100000000, 0.0001365500000000, -0.0001467100000000 ] - [ -0.0003379700000000, -0.0005538800000000, 0.0003411600000000 ] - [ -0.0001719800000000, 0.0000845800000000, 0.0004989400000000 ] - [ -0.0020904500000000, -0.0006194600000000, 0.0007091200000000 ] - [ 0.0015563400000000, 0.0011875400000000, 0.0003528100000000 ] - [ -0.0063989200000000, -0.0117276800000000, 0.0011491900000000 ] - [ 0.0027446100000000, 0.0046894700000000, -0.0008020600000000 ] - [ -0.1619723300000000, 0.0098619700000000, -0.0072265800000000 ] - [ 0.0129242500000000, 0.0012309100000000, -0.0057540300000000 ] - [ -0.0703769100000000, 0.0097583700000000, -0.0376650300000000 ] - [ 0.0145884800000000, 0.0036796400000000, 0.0004957800000000 ] - [ -0.0003743300000000, 0.0001304000000000, 0.0001581600000000 ] - [ 0.0018448600000000, -0.0009728600000000, 0.0000574900000000 ] - [ -0.0006659200000000, -0.0002938800000000, 0.0003196000000000 ] - [ 0.0009213100000000, -0.0000171000000000, 0.0007750600000000 ] - [ -0.0110301000000000, -0.0035282500000000, -0.0093406900000000 ] - [ 0.0060378700000000, 0.0055147000000000, 0.0121589300000000 ] - [ 0.0148872200000000, -0.0015225400000000, -0.0009929300000000 ] - [ -0.0090345200000000, 0.0002655500000000, -0.0010213600000000 ] - [ 0.3764525500000000, -0.0339085600000000, 0.1044999700000000 ] - [ -0.0082158600000000, -0.0000152100000000, -0.0009606200000000 ] - [ 0.0001640900000000, -0.0004593700000000, 0.0000499200000000 ] - [ -0.0005857800000000, 0.0002477600000000, -0.0000983800000000 ] - [ 0.0012713700000000, 0.0016406400000000, -0.0009665500000000 ] - [ -0.0020842700000000, -0.0028749000000000, -0.0017647100000000 ] - [ -0.0286239800000000, 0.0227710300000000, -0.0220709300000000 ] - [ -0.0063675400000000, -0.0053233900000000, 0.0044913100000000 ] - [ 0.0005933100000000, -0.0000364100000000, 0.0003280100000000 ] - [ -0.0004558100000000, -0.0000835300000000, 0.0001587900000000 ] - [ 0.0010506900000000, 0.0000257600000000, -0.0006449600000000 ] - [ -0.0013899600000000, 0.0001527200000000, -0.0007153900000000 ] - [ 0.0045594700000000, 0.0001684000000000, -0.0000166300000000 ] - [ -0.0031035300000000, -0.0000474200000000, 0.0005212100000000 ] - [ 0.0005258800000000, 0.0028684900000000, 0.0014018900000000 ] - [ -0.0002987100000000, -0.0006209800000000, 0.0000814100000000 ] - [ -0.0000485400000000, -0.0002183600000000, 0.0003151300000000 ] - [ -0.0007446800000000, 0.0000816100000000, 0.0002272100000000 ] - [ 0.0019019000000000, -0.0026839300000000, -0.0009089100000000 ] - [ -0.0023530600000000, 0.0015826800000000, 0.0005196600000000 ] - [ 0.0002482500000000, 0.0001074500000000, -0.0000980100000000 ] - [ -0.0001646700000000, -0.0001014600000000, 0.0000064600000000 ] - [ 0.0034913500000000, -0.0020618400000000, 0.0026236500000000 ] - [ -0.0024690900000000, 0.0014520500000000, -0.0004995500000000 ] - [ 0.0005215000000000, 0.0009616500000000, -0.0005365800000000 ] - [ 0.0000100000000000, -0.0001990100000000, -0.0005201800000000 ] - [ -0.0364966300000000, -0.0231423300000000, -0.0246067900000000 ] - [ -0.0120447200000000, 0.0055700800000000, 0.0051458400000000 ] - [ 0.0027612500000000, 0.0001802000000000, 0.0008036000000000 ] - [ -0.0022252400000000, -0.0000370400000000, -0.0023546000000000 ] - [ 0.0009271500000000, 0.0006006500000000, 0.0004708400000000 ] - [ -0.0004192100000000, -0.0005139100000000, 0.0001553200000000 ] - [ -0.0389307100000000, 0.0002985100000000, 0.0211369500000000 ] - [ -0.0390247100000000, -0.0030162500000000, -0.0299106700000000 ] - [ 0.0009177100000000, 0.0161419500000000, -0.0139128200000000 ] - [ -0.0026887500000000, -0.0022970300000000, 0.0006776200000000 ] - [ 0.0012297100000000, 0.0016299200000000, 0.0007291200000000 ] - [ -0.0009632600000000, -0.0028970400000000, -0.0018765900000000 ] - [ 0.0002025000000000, 0.0002975900000000, -0.0000962300000000 ] - [ -0.0011072000000000, 0.0004228900000000, 0.0002238800000000 ] - [ 0.0011075000000000, 0.0023902300000000, 0.0003290000000000 ] - [ -0.0004778300000000, -0.0004946600000000, 0.0005397400000000 ] - [ 0.0013922800000000, 0.0028883000000000, 0.0008840100000000 ] - [ -0.0033216700000000, -0.0027970400000000, 0.0012319100000000 ] - [ 0.0001391500000000, 0.0027859500000000, -0.0021656400000000 ] - [ -0.0000907500000000, -0.0007533100000000, -0.0001121900000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0031631200000000, -0.0053551600000000, -0.0026825200000000 ] - [ 0.0005314200000000, -0.0007152800000000, -0.0006122700000000 ] - [ -0.0015107200000000, 0.0004851100000000, 0.0012871200000000 ] - [ 0.0052619400000000, -0.0013188500000000, 0.0044780300000000 ] - [ -0.0033197600000000, 0.0089603300000000, -0.0014251500000000 ] - [ 0.0002626200000000, 0.0071101800000000, -0.0002207000000000 ] - [ 0.0002629800000000, -0.0028628500000000, 0.0002120100000000 ] - [ 0.0000192200000000, -0.0029085500000000, 0.0001914800000000 ] - [ -0.0022892700000000, -0.0025208200000000, -0.0012366800000000 ] - [ 0.0026772800000000, 0.0000941800000000, -0.0001528000000000 ] - [ -0.0005387500000000, -0.0026154500000000, -0.0030299200000000 ] - [ 0.0008751100000000, -0.0012741700000000, -0.0007167400000000 ] - [ -0.0007902100000000, -0.0072601600000000, 0.0009225000000000 ] - [ 0.0007299700000000, 0.0001314100000000, 0.0014109600000000 ] - [ -0.0000526000000000, -0.0027645400000000, -0.0001904700000000 ] - [ 0.0003307300000000, -0.0013352500000000, -0.0000463000000000 ] - [ -0.0003244400000000, -0.0014237100000000, 0.0004195000000000 ] - [ -0.0001711600000000, -0.0020139800000000, 0.0003512900000000 ] - [ 0.0004272100000000, -0.0003819100000000, 0.0006873100000000 ] - [ -0.0003577200000000, 0.0002798200000000, 0.0000659900000000 ] - [ 0.0012624800000000, -0.0053798100000000, 0.0005649500000000 ] - [ -0.0004576700000000, -0.0006162600000000, -0.0005047600000000 ] - [ -0.0074032300000000, 0.0410130100000000, -0.0033124000000000 ] - [ -0.0001106100000000, 0.0035894700000000, -0.0002580300000000 ] - [ -0.0070641900000000, 0.0372823300000000, -0.0178246000000000 ] - [ 0.0015746000000000, 0.0009262000000000, 0.0001850500000000 ] - [ -0.0019315400000000, -0.0021553000000000, 0.0013540600000000 ] - [ 0.0011254900000000, -0.0011502700000000, -0.0000938000000000 ] - [ 0.0000822300000000, -0.0015341300000000, 0.0005128000000000 ] - [ 0.0001275000000000, -0.0009722400000000, 0.0004381300000000 ] - [ 0.0024437400000000, 0.0019676800000000, -0.0010875000000000 ] - [ -0.0002349300000000, 0.0007652100000000, -0.0000349900000000 ] - [ 0.0010779400000000, -0.0063289700000000, 0.0174389100000000 ] - [ 0.0006001900000000, -0.0000752400000000, -0.0000840200000000 ] - [ 0.0329670100000000, -0.0874383000000000, 0.0351724600000000 ] - [ -0.0002181700000000, -0.0013069100000000, -0.0003993300000000 ] - [ -0.0002252300000000, 0.0023231800000000, -0.0000980100000000 ] - [ -0.0003007700000000, 0.0008102300000000, -0.0000038700000000 ] - [ -0.0000856300000000, -0.0013592000000000, -0.0005542600000000 ] - [ -0.0000997700000000, -0.0012831800000000, -0.0001242400000000 ] - [ -0.0241105800000000, 0.0030042400000000, -0.0141046100000000 ] - [ 0.0026307300000000, -0.0007010100000000, -0.0015053300000000 ] - [ 0.0002014000000000, 0.0004955400000000, 0.0003850600000000 ] - [ 0.0001581200000000, 0.0006163200000000, 0.0004259800000000 ] - [ -0.0002129000000000, 0.0006644400000000, -0.0007593200000000 ] - [ -0.0000879400000000, 0.0001875600000000, -0.0003925200000000 ] - [ 0.0019154000000000, 0.0048772100000000, -0.0042158100000000 ] - [ 0.0002470200000000, 0.0001132800000000, -0.0002869300000000 ] - [ -0.0005331800000000, 0.0022911400000000, 0.0009202700000000 ] - [ 0.0007531500000000, 0.0010930100000000, 0.0000310300000000 ] - [ 0.0000709700000000, 0.0018863600000000, 0.0001928700000000 ] - [ -0.0004220100000000, 0.0008389000000000, 0.0003490800000000 ] - [ -0.0002847900000000, 0.0008140700000000, 0.0008000600000000 ] - [ -0.0012837800000000, 0.0005517700000000, -0.0001768600000000 ] - [ -0.0001451100000000, 0.0008449900000000, -0.0000795500000000 ] - [ -0.0001162100000000, 0.0004379300000000, -0.0000192900000000 ] - [ 0.0022772800000000, 0.0031243700000000, -0.0000363300000000 ] - [ -0.0012069300000000, 0.0002274800000000, -0.0000331200000000 ] - [ 0.0001087600000000, 0.0014358500000000, -0.0004790800000000 ] - [ 0.0010279800000000, 0.0016817000000000, 0.0002356300000000 ] - [ 0.0220374400000000, -0.0028721400000000, 0.0120759000000000 ] - [ -0.0043467000000000, -0.0018457100000000, 0.0019271500000000 ] - [ -0.0009254100000000, -0.0020548700000000, 0.0009506900000000 ] - [ 0.0011460200000000, -0.0020115600000000, -0.0009292400000000 ] - [ 0.0000939800000000, 0.0019633800000000, 0.0009446600000000 ] - [ -0.0000735600000000, 0.0011296100000000, 0.0004232000000000 ] - [ -0.0031123200000000, -0.0065301600000000, 0.0007074200000000 ] - [ 0.0005846600000000, -0.0051013500000000, 0.0011769400000000 ] - [ -0.0154563800000000, 0.0192735600000000, -0.0284342200000000 ] - [ -0.0006066400000000, -0.0012632600000000, 0.0001235500000000 ] - [ -0.0006867000000000, -0.0004254000000000, -0.0003683500000000 ] - [ 0.0002088200000000, -0.0009018000000000, -0.0003711800000000 ] - [ -0.0001037800000000, 0.0011794800000000, -0.0001537200000000 ] - [ -0.0005149000000000, 0.0012859100000000, 0.0001183300000000 ] - [ 0.0003730300000000, 0.0038243100000000, -0.0002431200000000 ] - [ 0.0002039600000000, 0.0009578300000000, 0.0000540600000000 ] - [ -0.0021409100000000, 0.0051139700000000, 0.0012817200000000 ] - [ 0.0006825200000000, 0.0007579300000000, 0.0000402300000000 ] - [ -0.0008059500000000, 0.0012644200000000, -0.0011339000000000 ] - [ 0.0004652900000000, 0.0003828600000000, -0.0004405400000000 ]- atom: 35 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0026274400000000, 0.0053255100000000, 0.0026814800000000 ] - [ -0.0010320600000000, 0.0007275500000000, 0.0006474100000000 ] - [ 0.0020200600000000, -0.0005156800000000, -0.0013372100000000 ] - [ -0.0047725100000000, 0.0012943700000000, -0.0045176400000000 ] - [ 0.0027896200000000, -0.0089497200000000, 0.0015687700000000 ] - [ -0.0007910800000000, -0.0070791300000000, 0.0002394400000000 ] - [ 0.0002435100000000, 0.0028710100000000, -0.0002495800000000 ] - [ 0.0004687600000000, 0.0029202700000000, -0.0002296600000000 ] - [ 0.0018118200000000, 0.0026202000000000, 0.0018494200000000 ] - [ -0.0032175000000000, 0.0000504800000000, 0.0007234600000000 ] - [ 0.0008401400000000, 0.0025744700000000, 0.0033400100000000 ] - [ -0.0006020500000000, 0.0012162100000000, 0.0009987800000000 ] - [ 0.0009904100000000, 0.0073359100000000, -0.0002845500000000 ] - [ -0.0005189300000000, -0.0000559100000000, -0.0007152900000000 ] - [ 0.0003394200000000, 0.0028091300000000, 0.0004705600000000 ] - [ -0.0000522600000000, 0.0013818400000000, 0.0003348200000000 ] - [ -0.0001815800000000, 0.0012580800000000, 0.0001508000000000 ] - [ -0.0003366900000000, 0.0018393900000000, 0.0002183200000000 ] - [ -0.0006333100000000, 0.0004790000000000, -0.0013728600000000 ] - [ 0.0001340200000000, -0.0001800700000000, -0.0007560700000000 ] - [ -0.0015110100000000, 0.0053673800000000, -0.0008493300000000 ] - [ 0.0001670300000000, 0.0005816400000000, 0.0002195300000000 ] - [ 0.0078937600000000, -0.0411453300000000, 0.0024598400000000 ] - [ -0.0001177400000000, -0.0036710200000000, -0.0004534500000000 ] - [ 0.0077361000000000, -0.0370602500000000, 0.0170903100000000 ] - [ -0.0011174900000000, -0.0011258200000000, -0.0007544100000000 ] - [ 0.0024149600000000, 0.0023219900000000, -0.0019098900000000 ] - [ -0.0006183400000000, 0.0013253900000000, -0.0004783500000000 ] - [ 0.0001412400000000, 0.0014506100000000, 0.0001795500000000 ] - [ 0.0000857000000000, 0.0008879600000000, 0.0002502300000000 ] - [ -0.0027690700000000, -0.0018945800000000, 0.0008394500000000 ] - [ -0.0000466200000000, -0.0006956900000000, -0.0002271200000000 ] - [ -0.0000510800000000, 0.0065517100000000, -0.0177039500000000 ] - [ 0.0004324200000000, 0.0004148400000000, 0.0000077200000000 ] - [ -0.0340721100000000, 0.0869594400000000, -0.0355087300000000 ] - [ 0.0000295800000000, 0.0010267500000000, -0.0002700000000000 ] - [ -0.0001271500000000, -0.0025574500000000, -0.0003043100000000 ] - [ -0.0000501500000000, -0.0010642900000000, -0.0003934000000000 ] - [ -0.0002701400000000, 0.0016153000000000, 0.0001560000000000 ] - [ -0.0002440800000000, 0.0015487200000000, -0.0002697200000000 ] - [ 0.0234408900000000, -0.0030623800000000, 0.0134241700000000 ] - [ -0.0030491500000000, 0.0006410200000000, 0.0009226300000000 ] - [ -0.0000047900000000, -0.0007753400000000, 0.0002928000000000 ] - [ 0.0000455000000000, -0.0008942700000000, 0.0002536400000000 ] - [ 0.0000057100000000, -0.0003875600000000, 0.0000773200000000 ] - [ -0.0001092000000000, 0.0000890700000000, -0.0002850900000000 ] - [ -0.0009016500000000, -0.0051232400000000, 0.0040599600000000 ] - [ 0.0007710000000000, -0.0004641500000000, 0.0002201400000000 ] - [ 0.0008801100000000, -0.0020439300000000, -0.0005192900000000 ] - [ -0.0003932100000000, -0.0008470500000000, 0.0003637400000000 ] - [ -0.0007171300000000, -0.0025758600000000, 0.0004300400000000 ] - [ -0.0002270400000000, -0.0015385300000000, 0.0002754300000000 ] - [ -0.0007422100000000, -0.0011419300000000, -0.0007326100000000 ] - [ 0.0002788000000000, -0.0008910900000000, 0.0002448300000000 ] - [ 0.0002435400000000, -0.0010534400000000, 0.0002742300000000 ] - [ 0.0002164000000000, -0.0006464000000000, 0.0002137400000000 ] - [ -0.0021177300000000, -0.0029022300000000, 0.0007276600000000 ] - [ 0.0014179600000000, 0.0000581200000000, 0.0007132600000000 ] - [ 0.0005367000000000, -0.0007430800000000, -0.0001451100000000 ] - [ -0.0003654700000000, -0.0009807900000000, -0.0008494400000000 ] - [ -0.0213741500000000, 0.0023210300000000, -0.0126944200000000 ] - [ 0.0050263900000000, 0.0011646100000000, -0.0025555000000000 ] - [ 0.0012889000000000, 0.0018155900000000, -0.0005616500000000 ] - [ -0.0007889700000000, 0.0017748500000000, 0.0013209700000000 ] - [ 0.0003423500000000, -0.0020138000000000, -0.0003718200000000 ] - [ 0.0005148900000000, -0.0011716700000000, 0.0001568200000000 ] - [ 0.0031669600000000, 0.0063084600000000, -0.0009616800000000 ] - [ -0.0007289900000000, 0.0049023200000000, -0.0013844100000000 ] - [ 0.0149769000000000, -0.0187261900000000, 0.0294162100000000 ] - [ -0.0000391700000000, 0.0019795600000000, 0.0004997300000000 ] - [ 0.0002529300000000, 0.0004468000000000, -0.0002164500000000 ] - [ -0.0006474500000000, 0.0009321900000000, -0.0002115600000000 ] - [ -0.0009141900000000, -0.0008338400000000, 0.0002240600000000 ] - [ -0.0004961800000000, -0.0009388300000000, -0.0000520400000000 ] - [ 0.0000675400000000, -0.0037563900000000, 0.0008245800000000 ] - [ 0.0002372000000000, -0.0009021500000000, 0.0005210000000000 ] - [ 0.0022989300000000, -0.0050160700000000, -0.0010903600000000 ] - [ -0.0005688800000000, -0.0005249300000000, 0.0001467700000000 ] - [ 0.0007002900000000, -0.0010632100000000, 0.0009422400000000 ] - [ -0.0005573500000000, -0.0001755100000000, 0.0002451000000000 ]- atom: 35 displacement: [ -0.0001950079929100, 0.0000000000000000, 0.0099980984133335 ] forces: - [ -0.0009989700000000, -0.0037171200000000, 0.0022790100000000 ] - [ -0.0000203500000000, -0.0008646000000000, 0.0018666000000000 ] - [ 0.0016853200000000, 0.0011143200000000, -0.0022203300000000 ] - [ -0.0056187700000000, -0.0001168000000000, -0.0070235000000000 ] - [ 0.0044984700000000, -0.0060559100000000, -0.0070806700000000 ] - [ -0.0027972000000000, -0.0004168600000000, -0.0059947400000000 ] - [ 0.0003242000000000, 0.0004364600000000, 0.0003455200000000 ] - [ 0.0001458100000000, 0.0003089100000000, 0.0006309000000000 ] - [ 0.0009703000000000, -0.0066753900000000, 0.0038242500000000 ] - [ -0.0001675700000000, -0.0013889200000000, 0.0016798500000000 ] - [ 0.0008781000000000, -0.0004241300000000, 0.0006311900000000 ] - [ -0.0008369100000000, -0.0004514100000000, -0.0001384300000000 ] - [ 0.0028630500000000, 0.0059622300000000, 0.0061250400000000 ] - [ -0.0007409100000000, 0.0004640500000000, 0.0017941500000000 ] - [ 0.0006038500000000, 0.0010407500000000, -0.0003838000000000 ] - [ -0.0000689800000000, 0.0003282300000000, 0.0001794400000000 ] - [ -0.0001786400000000, 0.0000267600000000, -0.0000954600000000 ] - [ -0.0002950400000000, -0.0000300100000000, 0.0000292400000000 ] - [ 0.0000162100000000, -0.0014277200000000, -0.0026064200000000 ] - [ -0.0003141400000000, -0.0003440800000000, -0.0016912800000000 ] - [ 0.0008283300000000, 0.0064936900000000, -0.0003981500000000 ] - [ -0.0004267300000000, 0.0012941400000000, 0.0003946300000000 ] - [ 0.0194688100000000, -0.0039553300000000, 0.0523747900000000 ] - [ -0.0024391000000000, -0.0003421100000000, 0.0073473500000000 ] - [ 0.0317094700000000, -0.0197608800000000, 0.1249448700000000 ] - [ 0.0063841200000000, 0.0024556000000000, 0.0015311000000000 ] - [ 0.0008902700000000, 0.0014053500000000, -0.0023661400000000 ] - [ -0.0001868700000000, 0.0009059900000000, -0.0010640400000000 ] - [ 0.0001142200000000, 0.0000983100000000, -0.0002165700000000 ] - [ -0.0001627900000000, -0.0000019000000000, -0.0000575800000000 ] - [ 0.0113076200000000, -0.0008780200000000, -0.0057901000000000 ] - [ -0.0018492600000000, 0.0019530300000000, -0.0094252200000000 ] - [ -0.0012258500000000, 0.0144812700000000, 0.0736374700000000 ] - [ -0.0016257300000000, -0.0001524600000000, 0.0036786600000000 ] - [ -0.1011178100000000, 0.0355228000000000, -0.2951324200000000 ] - [ 0.0003892300000000, -0.0002020900000000, -0.0029884800000000 ] - [ -0.0002424500000000, 0.0001124700000000, -0.0005654800000000 ] - [ -0.0000304400000000, -0.0001806900000000, -0.0004164800000000 ] - [ -0.0000353800000000, 0.0019196000000000, 0.0002018800000000 ] - [ 0.0002069900000000, 0.0017288000000000, 0.0011450300000000 ] - [ 0.0227967000000000, -0.0137044800000000, 0.0051139700000000 ] - [ -0.0019107400000000, -0.0002415000000000, -0.0020968700000000 ] - [ 0.0001192400000000, -0.0001848700000000, 0.0005795700000000 ] - [ 0.0002707100000000, -0.0002268800000000, 0.0005366400000000 ] - [ 0.0002221400000000, 0.0005670700000000, 0.0010952700000000 ] - [ 0.0002552300000000, 0.0001952400000000, 0.0002433600000000 ] - [ -0.0007292500000000, -0.0039325800000000, 0.0015820200000000 ] - [ 0.0012724800000000, -0.0011387200000000, -0.0000712200000000 ] - [ 0.0003366300000000, -0.0015260600000000, -0.0009833600000000 ] - [ 0.0005604600000000, -0.0004032600000000, -0.0006397100000000 ] - [ -0.0004951300000000, -0.0011930200000000, 0.0006331500000000 ] - [ -0.0002259900000000, -0.0007782800000000, 0.0004223600000000 ] - [ -0.0010117400000000, 0.0009405400000000, 0.0002589700000000 ] - [ -0.0001800000000000, 0.0001557700000000, 0.0007433800000000 ] - [ 0.0000217000000000, -0.0003291800000000, 0.0005310300000000 ] - [ 0.0000339100000000, -0.0001421000000000, 0.0003113200000000 ] - [ -0.0021196400000000, -0.0002659500000000, -0.0019402500000000 ] - [ 0.0008983500000000, -0.0002108800000000, -0.0003801500000000 ] - [ 0.0002421300000000, 0.0006786900000000, -0.0000486600000000 ] - [ 0.0005332700000000, 0.0004262900000000, 0.0000453900000000 ] - [ 0.0268643700000000, 0.0121107600000000, 0.0061077400000000 ] - [ -0.0020492300000000, 0.0001756000000000, -0.0008023400000000 ] - [ -0.0023164400000000, -0.0018369000000000, 0.0045785100000000 ] - [ -0.0083069400000000, 0.0032317000000000, 0.0104471300000000 ] - [ 0.0000000600000000, 0.0001923500000000, 0.0002195500000000 ] - [ 0.0003823900000000, 0.0002574700000000, 0.0004353600000000 ] - [ -0.0291310500000000, -0.0004196500000000, 0.0045914200000000 ] - [ 0.0206381800000000, 0.0012946400000000, 0.0062536000000000 ] - [ 0.0139893200000000, -0.0265687100000000, 0.0211840200000000 ] - [ -0.0010895000000000, -0.0011068100000000, 0.0002768900000000 ] - [ -0.0022353100000000, 0.0032243100000000, 0.0008762200000000 ] - [ 0.0004574500000000, 0.0011571900000000, 0.0010988700000000 ] - [ -0.0008966700000000, -0.0001307400000000, 0.0001357000000000 ] - [ -0.0003390900000000, -0.0000735600000000, -0.0000570200000000 ] - [ 0.0000227700000000, -0.0030200600000000, 0.0004265000000000 ] - [ 0.0003089900000000, -0.0002565900000000, -0.0000065600000000 ] - [ -0.0006186300000000, 0.0013045500000000, -0.0019246800000000 ] - [ 0.0019474500000000, 0.0021672300000000, -0.0010743100000000 ] - [ -0.0000204600000000, -0.0007698600000000, 0.0017282900000000 ] - [ -0.0004026500000000, -0.0002850700000000, 0.0005832300000000 ]- atom: 35 displacement: [ 0.0001950079929100, 0.0000000000000000, -0.0099980984133335 ] forces: - [ 0.0005403200000000, 0.0037270300000000, -0.0021903900000000 ] - [ -0.0005045800000000, 0.0008692600000000, -0.0018127600000000 ] - [ -0.0011711600000000, -0.0011294900000000, 0.0021934500000000 ] - [ 0.0061037800000000, 0.0001727900000000, 0.0069912100000000 ] - [ -0.0048929500000000, 0.0061972300000000, 0.0061202000000000 ] - [ 0.0021752100000000, 0.0004068500000000, 0.0059289400000000 ] - [ 0.0001739000000000, -0.0004237400000000, -0.0003871300000000 ] - [ 0.0003522000000000, -0.0002955300000000, -0.0006722300000000 ] - [ -0.0014951000000000, 0.0067436100000000, -0.0032418500000000 ] - [ -0.0003319400000000, 0.0015815500000000, -0.0011060900000000 ] - [ -0.0005656500000000, 0.0003896000000000, -0.0003788000000000 ] - [ 0.0010998300000000, 0.0003979000000000, 0.0004235400000000 ] - [ -0.0025905000000000, -0.0058966200000000, -0.0053916200000000 ] - [ 0.0009323500000000, -0.0003869700000000, -0.0011009000000000 ] - [ -0.0003133700000000, -0.0009788500000000, 0.0006722600000000 ] - [ 0.0003428000000000, -0.0002780100000000, 0.0001099000000000 ] - [ -0.0003291200000000, -0.0001914500000000, 0.0006657700000000 ] - [ -0.0002138700000000, -0.0001326100000000, 0.0005388400000000 ] - [ -0.0002061900000000, 0.0015151600000000, 0.0019088500000000 ] - [ 0.0000763400000000, 0.0004020800000000, 0.0009931400000000 ] - [ -0.0010834300000000, -0.0064373400000000, 0.0000890500000000 ] - [ 0.0001258900000000, -0.0013576600000000, -0.0006806300000000 ] - [ -0.0191599100000000, 0.0038283400000000, -0.0532782300000000 ] - [ 0.0021722100000000, 0.0002439400000000, -0.0079760300000000 ] - [ -0.0260064400000000, 0.0174241300000000, -0.1170921000000000 ] - [ -0.0060186300000000, -0.0026539900000000, -0.0020938900000000 ] - [ -0.0003696800000000, -0.0012403200000000, 0.0017780000000000 ] - [ 0.0006790500000000, -0.0007278900000000, 0.0004895000000000 ] - [ 0.0001108600000000, -0.0001793600000000, 0.0009083100000000 ] - [ 0.0003745400000000, -0.0000806600000000, 0.0007441500000000 ] - [ -0.0114915900000000, 0.0009519500000000, 0.0056950900000000 ] - [ 0.0015125400000000, -0.0019681200000000, 0.0091515400000000 ] - [ 0.0022575400000000, -0.0137359600000000, -0.0723541200000000 ] - [ 0.0027305900000000, 0.0005079100000000, -0.0037576900000000 ] - [ 0.0945569200000000, -0.0338788300000000, 0.2851792300000000 ] - [ -0.0005326400000000, -0.0000777200000000, 0.0023125400000000 ] - [ -0.0001116800000000, -0.0003749100000000, 0.0001670900000000 ] - [ -0.0003172100000000, -0.0000738100000000, 0.0000161900000000 ] - [ -0.0003346400000000, -0.0017097600000000, -0.0005895100000000 ] - [ -0.0005387800000000, -0.0014570100000000, -0.0015279200000000 ] - [ -0.0232720600000000, 0.0137001100000000, -0.0054448100000000 ] - [ 0.0014801800000000, 0.0002161900000000, 0.0015379700000000 ] - [ 0.0000764600000000, -0.0000959300000000, 0.0001001400000000 ] - [ -0.0000660100000000, -0.0000562100000000, 0.0001443600000000 ] - [ -0.0004384600000000, -0.0002651000000000, -0.0017713700000000 ] - [ -0.0004435200000000, 0.0000876100000000, -0.0009167100000000 ] - [ 0.0017015800000000, 0.0036008900000000, -0.0016294100000000 ] - [ -0.0002408800000000, 0.0007906000000000, 0.0000028200000000 ] - [ 0.0000183900000000, 0.0017564800000000, 0.0013759700000000 ] - [ -0.0002091700000000, 0.0006585700000000, 0.0010413900000000 ] - [ -0.0001554000000000, 0.0004952500000000, -0.0000052000000000 ] - [ -0.0004188300000000, 0.0000757600000000, 0.0002049200000000 ] - [ -0.0000250800000000, -0.0012625600000000, -0.0001762000000000 ] - [ -0.0008246300000000, -0.0005053100000000, -0.0006705000000000 ] - [ 0.0000758100000000, 0.0001169400000000, -0.0003351800000000 ] - [ 0.0000676100000000, -0.0000685100000000, -0.0001144000000000 ] - [ 0.0023023300000000, 0.0005827000000000, 0.0025959200000000 ] - [ -0.0006813800000000, 0.0004835500000000, 0.0010578100000000 ] - [ 0.0004048800000000, 0.0000142400000000, -0.0005748000000000 ] - [ 0.0001114300000000, 0.0002746100000000, -0.0006747800000000 ] - [ -0.0262640200000000, -0.0128251000000000, -0.0064917700000000 ] - [ 0.0027176600000000, -0.0008825300000000, 0.0002078900000000 ] - [ 0.0026273700000000, 0.0015679800000000, -0.0041832400000000 ] - [ 0.0088779300000000, -0.0035585500000000, -0.0101619500000000 ] - [ 0.0004351000000000, -0.0002492600000000, 0.0003670200000000 ] - [ 0.0000628600000000, -0.0003040900000000, 0.0001456400000000 ] - [ 0.0290682100000000, 0.0002222200000000, -0.0048794400000000 ] - [ -0.0204145900000000, -0.0014525400000000, -0.0064132000000000 ] - [ -0.0145225000000000, 0.0269653600000000, -0.0204529100000000 ] - [ 0.0004660300000000, 0.0018288500000000, 0.0003399400000000 ] - [ 0.0017808400000000, -0.0031902800000000, -0.0014810100000000 ] - [ -0.0008822900000000, -0.0010663300000000, -0.0016811900000000 ] - [ -0.0001229400000000, 0.0004736700000000, -0.0000680000000000 ] - [ -0.0006698000000000, 0.0004108300000000, 0.0001216700000000 ] - [ 0.0003989000000000, 0.0030413300000000, 0.0001369300000000 ] - [ 0.0001379000000000, 0.0003086400000000, 0.0005810700000000 ] - [ 0.0007034400000000, -0.0010925300000000, 0.0021253800000000 ] - [ -0.0018303000000000, -0.0019485200000000, 0.0012669000000000 ] - [ -0.0000775100000000, 0.0009513800000000, -0.0019020600000000 ] - [ 0.0003066000000000, 0.0005068500000000, -0.0007705400000000 ]- atom: 37 displacement: [ 0.0099999932521795, 0.0000000000000000, -0.0000116170720741 ] forces: - [ 0.0115432900000000, 0.0007023400000000, -0.0012343100000000 ] - [ -0.0047062800000000, -0.0008777500000000, 0.0002859700000000 ] - [ -0.0012945300000000, 0.0038477600000000, 0.0012157800000000 ] - [ 0.0017353000000000, -0.0011109200000000, 0.0008538000000000 ] - [ 0.0005259400000000, 0.0003668700000000, 0.0002497200000000 ] - [ -0.0011232700000000, 0.0002379000000000, 0.0001834700000000 ] - [ -0.0121810300000000, -0.0010346500000000, -0.0098325000000000 ] - [ 0.0374363000000000, 0.0078785700000000, -0.0122169200000000 ] - [ -0.0008317300000000, 0.0007276300000000, -0.0000328600000000 ] - [ 0.0009363000000000, -0.0010007100000000, -0.0007292500000000 ] - [ 0.0015810100000000, -0.0010886600000000, -0.0004994300000000 ] - [ -0.0025517200000000, 0.0006816500000000, 0.0012448400000000 ] - [ 0.0008037100000000, 0.0013793700000000, 0.0002722000000000 ] - [ -0.0010617900000000, -0.0002181100000000, 0.0000412800000000 ] - [ 0.0456075100000000, -0.0055982100000000, -0.0111574600000000 ] - [ -0.0073725800000000, 0.0007527700000000, 0.0016635600000000 ] - [ -0.0060399100000000, -0.0077546500000000, 0.0079008800000000 ] - [ 0.0051597700000000, -0.0000698700000000, -0.0020880700000000 ] - [ 0.0016858900000000, -0.0016519200000000, 0.0007931900000000 ] - [ -0.0019272900000000, 0.0039337600000000, -0.0009956900000000 ] - [ 0.0022196700000000, -0.0015474500000000, -0.0021698200000000 ] - [ -0.0015499400000000, 0.0024740800000000, 0.0030959000000000 ] - [ 0.0003339300000000, -0.0001765900000000, -0.0000343300000000 ] - [ -0.0006450500000000, 0.0002465600000000, -0.0008169500000000 ] - [ 0.0003247500000000, 0.0002224600000000, -0.0000956300000000 ] - [ 0.0000584200000000, 0.0002412100000000, -0.0004421000000000 ] - [ 0.0013463600000000, 0.0017154200000000, -0.0001416400000000 ] - [ -0.0005952500000000, -0.0014498900000000, -0.0003950400000000 ] - [ 0.0046087300000000, -0.0004557300000000, 0.0017746100000000 ] - [ -0.0074360500000000, -0.0004371200000000, -0.0002153900000000 ] - [ 0.0007262600000000, 0.0000633900000000, -0.0005947900000000 ] - [ -0.0006081400000000, 0.0000953100000000, -0.0002323200000000 ] - [ 0.0000623900000000, -0.0004451900000000, 0.0001618700000000 ] - [ 0.0007957400000000, 0.0001573300000000, -0.0000683000000000 ] - [ -0.0004357700000000, -0.0001878900000000, -0.0004069100000000 ] - [ 0.0003057600000000, -0.0002659900000000, -0.0001864000000000 ] - [ -0.1198364700000000, 0.0182645500000000, 0.0595795100000000 ] - [ 0.0065514300000000, -0.0001368700000000, -0.0016257400000000 ] - [ -0.0008079700000000, 0.0001460400000000, -0.0001619400000000 ] - [ 0.0008017500000000, 0.0000788000000000, -0.0009824900000000 ] - [ -0.0004609400000000, 0.0008741800000000, -0.0000186000000000 ] - [ -0.0003311700000000, -0.0013474400000000, -0.0005252800000000 ] - [ -0.0024421500000000, 0.0009669700000000, -0.0022006300000000 ] - [ 0.0024070000000000, -0.0011185200000000, -0.0082953600000000 ] - [ -0.0015404900000000, 0.0000433600000000, -0.0002207100000000 ] - [ 0.0017836200000000, 0.0000611000000000, 0.0000610500000000 ] - [ -0.0007711500000000, -0.0006193700000000, 0.0002486600000000 ] - [ 0.0025097800000000, -0.0000641800000000, -0.0006737300000000 ] - [ 0.0029460600000000, 0.0046226200000000, 0.0017343300000000 ] - [ 0.0017951800000000, -0.0064651100000000, -0.0019915400000000 ] - [ -0.0032154000000000, -0.0008427900000000, -0.0011237400000000 ] - [ 0.0043307800000000, 0.0016594700000000, 0.0026016800000000 ] - [ -0.0013823500000000, -0.0006099200000000, 0.0004751900000000 ] - [ 0.0008215600000000, 0.0026909200000000, -0.0011364900000000 ] - [ -0.0103104200000000, 0.0008313600000000, 0.0034707400000000 ] - [ 0.0063928400000000, 0.0002374100000000, -0.0013176100000000 ] - [ -0.0002314100000000, -0.0005710800000000, 0.0004986900000000 ] - [ 0.0005621000000000, 0.0007169900000000, 0.0007365200000000 ] - [ 0.0019636200000000, 0.0033284700000000, -0.0015811200000000 ] - [ 0.0019546500000000, -0.0054602400000000, 0.0034540800000000 ] - [ 0.0004477500000000, -0.0005245400000000, -0.0002495800000000 ] - [ 0.0001133500000000, -0.0000015400000000, -0.0001581600000000 ] - [ -0.0000903700000000, -0.0012616600000000, 0.0000688500000000 ] - [ 0.0003658200000000, -0.0000485500000000, 0.0002314900000000 ] - [ -0.0027109200000000, 0.0012541200000000, -0.0001306600000000 ] - [ 0.0055962500000000, -0.0016955200000000, 0.0025148500000000 ] - [ -0.0001251100000000, -0.0001313900000000, -0.0001056600000000 ] - [ -0.0000349000000000, -0.0001941200000000, 0.0000465800000000 ] - [ -0.0007426300000000, -0.0001558800000000, 0.0000674800000000 ] - [ 0.0003144400000000, 0.0001387000000000, 0.0007861600000000 ] - [ -0.0004726200000000, 0.0005126600000000, -0.0000429100000000 ] - [ -0.0005354600000000, -0.0007486900000000, -0.0011525500000000 ] - [ 0.0328456300000000, -0.0182556500000000, -0.0306569900000000 ] - [ 0.0091699700000000, 0.0039289000000000, 0.0017408500000000 ] - [ -0.0076004900000000, -0.0006768600000000, -0.0001722200000000 ] - [ 0.0025951500000000, 0.0004386100000000, 0.0001460400000000 ] - [ -0.0007151600000000, 0.0000878200000000, 0.0007095700000000 ] - [ 0.0007774500000000, -0.0000622900000000, 0.0001005600000000 ] - [ -0.0000745600000000, 0.0004953300000000, 0.0001247100000000 ] - [ -0.0000507100000000, -0.0007392900000000, -0.0000248100000000 ]- atom: 37 displacement: [ -0.0099999932521795, 0.0000000000000000, 0.0000116170720741 ] forces: - [ -0.0119549300000000, -0.0006812700000000, 0.0012085800000000 ] - [ 0.0041913600000000, 0.0008924900000000, -0.0002676100000000 ] - [ 0.0017672900000000, -0.0038731200000000, -0.0012433600000000 ] - [ -0.0011772200000000, 0.0011115600000000, -0.0008576100000000 ] - [ -0.0010209500000000, -0.0003583600000000, -0.0001979000000000 ] - [ 0.0006238200000000, -0.0002302300000000, -0.0001402800000000 ] - [ 0.0125329900000000, 0.0010851100000000, 0.0097460500000000 ] - [ -0.0354734300000000, -0.0075415600000000, 0.0109126400000000 ] - [ 0.0003079600000000, -0.0005676600000000, 0.0005896800000000 ] - [ -0.0014206400000000, 0.0011537600000000, 0.0012823700000000 ] - [ -0.0013115000000000, 0.0010355900000000, 0.0007728900000000 ] - [ 0.0028294300000000, -0.0007853800000000, -0.0009592400000000 ] - [ -0.0006102500000000, -0.0012383700000000, 0.0003569600000000 ] - [ 0.0012853100000000, 0.0002860000000000, 0.0006448800000000 ] - [ -0.0453293300000000, 0.0061463000000000, 0.0118186100000000 ] - [ 0.0076125000000000, -0.0007035800000000, -0.0013564100000000 ] - [ 0.0054790800000000, 0.0075627400000000, -0.0072768300000000 ] - [ -0.0054879000000000, -0.0000878900000000, 0.0026688800000000 ] - [ -0.0019157400000000, 0.0017417800000000, -0.0014800500000000 ] - [ 0.0017196100000000, -0.0038150800000000, 0.0003399700000000 ] - [ -0.0025274000000000, 0.0015038100000000, 0.0018860700000000 ] - [ 0.0012726800000000, -0.0024975100000000, -0.0033414600000000 ] - [ -0.0005662900000000, 0.0000949000000000, -0.0006652500000000 ] - [ 0.0004318500000000, -0.0003274300000000, 0.0001122800000000 ] - [ 0.0001886600000000, -0.0003973400000000, -0.0004888500000000 ] - [ 0.0004468700000000, -0.0004156700000000, -0.0001305800000000 ] - [ -0.0008268600000000, -0.0015277700000000, -0.0004222600000000 ] - [ 0.0010959600000000, 0.0016559500000000, -0.0001588700000000 ] - [ -0.0044769900000000, 0.0003460600000000, -0.0009683200000000 ] - [ 0.0076227300000000, 0.0003626800000000, 0.0009444300000000 ] - [ -0.0010382700000000, -0.0000116400000000, 0.0003178500000000 ] - [ 0.0003371200000000, -0.0000717900000000, -0.0000604500000000 ] - [ 0.0009682900000000, 0.0008118000000000, -0.0002437400000000 ] - [ 0.0002085100000000, 0.0001906900000000, 0.0000045600000000 ] - [ 0.0002421600000000, -0.0000896800000000, -0.0002636300000000 ] - [ -0.0005089100000000, -0.0000150000000000, -0.0004892000000000 ] - [ 0.1184379800000000, -0.0194002200000000, -0.0588513400000000 ] - [ -0.0068917100000000, -0.0001394000000000, 0.0012556000000000 ] - [ 0.0004565500000000, 0.0001060000000000, -0.0002407200000000 ] - [ -0.0011516700000000, 0.0001883800000000, 0.0005696500000000 ] - [ 0.0000255500000000, -0.0009334200000000, -0.0005580400000000 ] - [ -0.0001184200000000, 0.0012776800000000, -0.0000551100000000 ] - [ 0.0026749600000000, -0.0012491200000000, 0.0028540000000000 ] - [ -0.0022305300000000, 0.0008194400000000, 0.0088252100000000 ] - [ 0.0013424700000000, 0.0002287300000000, -0.0004623000000000 ] - [ -0.0020019600000000, 0.0002051400000000, -0.0007553200000000 ] - [ 0.0017880700000000, 0.0002660900000000, -0.0003009100000000 ] - [ -0.0014869900000000, -0.0002921700000000, 0.0005971600000000 ] - [ -0.0025985300000000, -0.0044135400000000, -0.0013656900000000 ] - [ -0.0013608000000000, 0.0065823800000000, 0.0023297200000000 ] - [ 0.0025131800000000, 0.0001414100000000, 0.0016737500000000 ] - [ -0.0049828200000000, -0.0024008500000000, -0.0020118200000000 ] - [ 0.0003769100000000, 0.0002746700000000, -0.0004064700000000 ] - [ -0.0018467900000000, -0.0029912300000000, 0.0011951700000000 ] - [ 0.0103658400000000, -0.0011221100000000, -0.0037072700000000 ] - [ -0.0062618500000000, -0.0004555500000000, 0.0014956600000000 ] - [ 0.0004552300000000, 0.0008438700000000, 0.0001909800000000 ] - [ -0.0003726700000000, -0.0004297300000000, -0.0000534000000000 ] - [ -0.0013159800000000, -0.0026232800000000, 0.0009672500000000 ] - [ -0.0013079900000000, 0.0061135000000000, -0.0040294700000000 ] - [ 0.0002064700000000, -0.0001703400000000, -0.0003714500000000 ] - [ 0.0005285600000000, -0.0006903500000000, -0.0004648400000000 ] - [ 0.0004507300000000, 0.0010207000000000, 0.0003258500000000 ] - [ -0.0000167500000000, -0.0002000700000000, 0.0001622900000000 ] - [ 0.0031224500000000, -0.0013033300000000, 0.0006537400000000 ] - [ -0.0051720900000000, 0.0016926200000000, -0.0019774500000000 ] - [ 0.0000312600000000, -0.0000786400000000, -0.0000877900000000 ] - [ -0.0000738200000000, -0.0000131600000000, -0.0002343000000000 ] - [ 0.0000845600000000, 0.0008271900000000, 0.0005604200000000 ] - [ -0.0009648200000000, 0.0005671000000000, -0.0001604600000000 ] - [ 0.0000433800000000, -0.0004713200000000, -0.0005368900000000 ] - [ 0.0000499800000000, 0.0008111900000000, 0.0005338600000000 ] - [ -0.0342279600000000, 0.0190086500000000, 0.0311755700000000 ] - [ -0.0100320100000000, -0.0034938200000000, -0.0015586200000000 ] - [ 0.0080278500000000, 0.0004782300000000, 0.0006998000000000 ] - [ -0.0021474500000000, -0.0003714300000000, 0.0004294000000000 ] - [ 0.0008049500000000, 0.0001144800000000, -0.0004924200000000 ] - [ -0.0006722100000000, 0.0002842000000000, 0.0001017400000000 ] - [ -0.0000139400000000, -0.0002933100000000, -0.0003247100000000 ] - [ -0.0000547300000000, 0.0009398400000000, -0.0001847900000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0028585100000000, 0.0171858700000000, 0.0048516400000000 ] - [ 0.0008240500000000, 0.0032288500000000, 0.0005315000000000 ] - [ 0.0032108300000000, -0.0049015900000000, -0.0021696300000000 ] - [ -0.0060729800000000, -0.0079229100000000, -0.0056631500000000 ] - [ 0.0001394900000000, -0.0053164100000000, 0.0002333500000000 ] - [ 0.0000659300000000, -0.0035208000000000, -0.0001121000000000 ] - [ 0.0025924200000000, 0.0083536400000000, 0.0021187800000000 ] - [ 0.0075930200000000, 0.0191346700000000, -0.0032424800000000 ] - [ 0.0006393200000000, -0.0023467900000000, 0.0018675200000000 ] - [ -0.0021517700000000, -0.0026881900000000, 0.0013977000000000 ] - [ 0.0012227800000000, -0.0018756100000000, 0.0018127900000000 ] - [ 0.0002426700000000, -0.0005437800000000, 0.0003904300000000 ] - [ 0.0031724700000000, -0.0116966600000000, 0.0091097600000000 ] - [ -0.0003296300000000, -0.0010308000000000, 0.0002987700000000 ] - [ -0.0053162700000000, 0.0704740700000000, 0.0237868500000000 ] - [ -0.0005492800000000, 0.0002905700000000, 0.0015060300000000 ] - [ 0.0015702400000000, 0.0090819000000000, -0.0031136900000000 ] - [ -0.0022071700000000, 0.0099763800000000, 0.0017419400000000 ] - [ -0.0026739500000000, 0.0013056400000000, -0.0006483700000000 ] - [ 0.0021148800000000, 0.0025434200000000, 0.0027710300000000 ] - [ -0.0020189000000000, -0.0014393600000000, -0.0007015600000000 ] - [ 0.0007196400000000, -0.0031733800000000, -0.0027640600000000 ] - [ -0.0010948700000000, -0.0019636300000000, -0.0009670100000000 ] - [ 0.0008028800000000, -0.0023188700000000, -0.0011463600000000 ] - [ 0.0012963500000000, -0.0078928100000000, -0.0015888500000000 ] - [ 0.0001748900000000, -0.0028705700000000, -0.0004736100000000 ] - [ 0.0009774100000000, 0.0025639600000000, -0.0000446500000000 ] - [ 0.0004552400000000, 0.0046050200000000, 0.0007994100000000 ] - [ 0.0011509200000000, 0.0054195900000000, -0.0034462200000000 ] - [ -0.0007531100000000, 0.0005928900000000, -0.0005345800000000 ] - [ -0.0040689900000000, -0.0019798700000000, 0.0011482100000000 ] - [ 0.0013917800000000, -0.0074778000000000, -0.0003759100000000 ] - [ 0.0024433100000000, 0.0071044800000000, -0.0019558700000000 ] - [ -0.0010109900000000, 0.0019556200000000, 0.0005411600000000 ] - [ 0.0002254700000000, 0.0022878900000000, -0.0000946000000000 ] - [ -0.0004670600000000, 0.0007927400000000, -0.0004003200000000 ] - [ 0.0191253900000000, -0.1559742400000000, -0.0687415400000000 ] - [ -0.0001811000000000, -0.0029933500000000, 0.0007400600000000 ] - [ -0.0001970100000000, 0.0033860900000000, 0.0002258400000000 ] - [ -0.0001199100000000, 0.0019722200000000, 0.0006804800000000 ] - [ 0.0003723600000000, 0.0016293000000000, -0.0000889600000000 ] - [ -0.0003685800000000, 0.0022045000000000, 0.0002942000000000 ] - [ 0.0004044000000000, -0.0020688200000000, 0.0020486300000000 ] - [ 0.0001709800000000, -0.0020142700000000, -0.0029959000000000 ] - [ 0.0013923000000000, -0.0013278400000000, -0.0021027700000000 ] - [ -0.0030665000000000, -0.0012640700000000, -0.0019815800000000 ] - [ 0.0014666200000000, -0.0001334800000000, 0.0021599300000000 ] - [ -0.0012934000000000, 0.0000300700000000, 0.0011583200000000 ] - [ 0.0046584700000000, -0.0002058500000000, 0.0017344500000000 ] - [ -0.0062774500000000, 0.0006119800000000, 0.0070155800000000 ] - [ -0.0011936600000000, -0.0052850500000000, 0.0068602800000000 ] - [ -0.0009063500000000, -0.0042598100000000, -0.0009808000000000 ] - [ -0.0012088000000000, 0.0001661200000000, -0.0001632000000000 ] - [ -0.0004188800000000, -0.0005193300000000, 0.0006133000000000 ] - [ 0.0014759800000000, -0.0072124900000000, 0.0123783800000000 ] - [ -0.0006599000000000, -0.0014926200000000, 0.0012207700000000 ] - [ -0.0026332600000000, 0.0023020300000000, -0.0013570100000000 ] - [ 0.0008522100000000, 0.0011009300000000, -0.0001793600000000 ] - [ 0.0009879900000000, -0.0040104000000000, -0.0007059200000000 ] - [ -0.0023838800000000, -0.0020216500000000, -0.0053403100000000 ] - [ 0.0002839700000000, 0.0021583100000000, -0.0006014300000000 ] - [ 0.0003973100000000, 0.0025093400000000, -0.0005077400000000 ] - [ 0.0013094900000000, 0.0026685400000000, -0.0006941500000000 ] - [ 0.0001003200000000, 0.0047561700000000, -0.0001828100000000 ] - [ 0.0010842600000000, -0.0001361100000000, -0.0016751200000000 ] - [ 0.0000236300000000, 0.0003213800000000, 0.0001503300000000 ] - [ 0.0008444300000000, 0.0009800400000000, 0.0002775000000000 ] - [ 0.0000979300000000, 0.0025746500000000, 0.0005655800000000 ] - [ 0.0001443200000000, 0.0107080300000000, -0.0002242600000000 ] - [ -0.0005317300000000, 0.0027723800000000, 0.0000377000000000 ] - [ 0.0011738100000000, 0.0004913700000000, -0.0008694300000000 ] - [ -0.0078083300000000, 0.0053884100000000, -0.0068880000000000 ] - [ -0.0217767200000000, -0.0033302400000000, 0.0143359500000000 ] - [ 0.0029813000000000, -0.0012595100000000, 0.0000890200000000 ] - [ 0.0021578000000000, 0.0484244800000000, 0.0216590800000000 ] - [ 0.0001165300000000, 0.0006395700000000, -0.0000049900000000 ] - [ 0.0012093200000000, 0.0021169000000000, -0.0024498800000000 ] - [ 0.0000058400000000, 0.0006781800000000, -0.0001258500000000 ] - [ 0.0009763100000000, -0.0006992800000000, 0.0001212500000000 ] - [ 0.0000426500000000, -0.0003199500000000, -0.0009694600000000 ]- atom: 37 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0032312000000000, -0.0191288700000000, -0.0045632300000000 ] - [ -0.0013327200000000, -0.0033048100000000, -0.0004924000000000 ] - [ -0.0026973200000000, 0.0049470600000000, 0.0021307100000000 ] - [ 0.0065286000000000, 0.0079536300000000, 0.0055952600000000 ] - [ -0.0006418900000000, 0.0053617900000000, -0.0001985600000000 ] - [ -0.0005710700000000, 0.0035543500000000, 0.0001539100000000 ] - [ -0.0021503800000000, -0.0083900300000000, -0.0021904600000000 ] - [ -0.0071299200000000, -0.0193224000000000, 0.0031491200000000 ] - [ -0.0011383300000000, 0.0025435500000000, -0.0012928100000000 ] - [ 0.0016243200000000, 0.0029005600000000, -0.0008099000000000 ] - [ -0.0009388500000000, 0.0018718400000000, -0.0015250300000000 ] - [ 0.0000542200000000, 0.0005571100000000, -0.0001092200000000 ] - [ -0.0029524200000000, 0.0117911800000000, -0.0083923700000000 ] - [ 0.0005439400000000, 0.0011401500000000, 0.0003975000000000 ] - [ 0.0042584400000000, -0.0679219100000000, -0.0200266700000000 ] - [ 0.0008531300000000, -0.0002177900000000, -0.0012262300000000 ] - [ -0.0020871400000000, -0.0093267800000000, 0.0036994400000000 ] - [ 0.0017097200000000, -0.0102465900000000, -0.0011897500000000 ] - [ 0.0024873800000000, -0.0012489000000000, -0.0000428200000000 ] - [ -0.0023577200000000, -0.0025137700000000, -0.0034941900000000 ] - [ 0.0017677400000000, 0.0013813800000000, 0.0004178500000000 ] - [ -0.0010087100000000, 0.0031323000000000, 0.0025048600000000 ] - [ 0.0009026500000000, 0.0018929600000000, 0.0002889200000000 ] - [ -0.0010397600000000, 0.0022577500000000, 0.0004746200000000 ] - [ -0.0007911600000000, 0.0077911600000000, 0.0010254900000000 ] - [ 0.0003351000000000, 0.0027256300000000, -0.0000963300000000 ] - [ -0.0004914600000000, -0.0024962000000000, -0.0005230900000000 ] - [ 0.0000558700000000, -0.0045069800000000, -0.0013761600000000 ] - [ -0.0009757300000000, -0.0055150900000000, 0.0041685800000000 ] - [ 0.0010143300000000, -0.0006946900000000, 0.0012114000000000 ] - [ 0.0038349700000000, 0.0020407300000000, -0.0014555700000000 ] - [ -0.0017047800000000, 0.0075869300000000, 0.0000855700000000 ] - [ -0.0014649100000000, -0.0068400400000000, 0.0019289100000000 ] - [ 0.0020464600000000, -0.0016217600000000, -0.0006141700000000 ] - [ -0.0004396800000000, -0.0025919000000000, -0.0005955200000000 ] - [ 0.0002744100000000, -0.0010810600000000, -0.0002791900000000 ] - [ -0.0184176400000000, 0.1550330200000000, 0.0641505900000000 ] - [ -0.0001862900000000, 0.0027940700000000, -0.0011768400000000 ] - [ -0.0001583900000000, -0.0031579400000000, -0.0006135900000000 ] - [ -0.0002319100000000, -0.0017509900000000, -0.0010682600000000 ] - [ -0.0008219200000000, -0.0016795100000000, -0.0004931000000000 ] - [ -0.0000601700000000, -0.0022622400000000, -0.0008867100000000 ] - [ -0.0002013600000000, 0.0018020100000000, -0.0013691500000000 ] - [ 0.0000267900000000, 0.0017726800000000, 0.0037914200000000 ] - [ -0.0016019700000000, 0.0016472800000000, 0.0014687800000000 ] - [ 0.0028900400000000, 0.0015682700000000, 0.0013208200000000 ] - [ -0.0004616300000000, -0.0002019700000000, -0.0022619900000000 ] - [ 0.0023354900000000, -0.0003716200000000, -0.0012458200000000 ] - [ -0.0043802500000000, 0.0004647400000000, -0.0013499100000000 ] - [ 0.0067543200000000, -0.0004388100000000, -0.0066831300000000 ] - [ 0.0005374000000000, 0.0047021500000000, -0.0062240300000000 ] - [ 0.0002510100000000, 0.0036222200000000, 0.0016236800000000 ] - [ 0.0001927300000000, -0.0005331500000000, 0.0002277200000000 ] - [ -0.0005912800000000, 0.0001145500000000, -0.0005369100000000 ] - [ -0.0013529700000000, 0.0069067300000000, -0.0123875200000000 ] - [ 0.0007417700000000, 0.0012903800000000, -0.0010206400000000 ] - [ 0.0028236800000000, -0.0020329500000000, 0.0020318000000000 ] - [ -0.0006448200000000, -0.0008392400000000, 0.0008530600000000 ] - [ -0.0003519700000000, 0.0047562500000000, 0.0000854700000000 ] - [ 0.0030987900000000, 0.0028042700000000, 0.0047949900000000 ] - [ 0.0003589900000000, -0.0028795900000000, -0.0000274500000000 ] - [ 0.0002604700000000, -0.0032412900000000, -0.0001210100000000 ] - [ -0.0009703700000000, -0.0029502100000000, 0.0011024600000000 ] - [ 0.0002533300000000, -0.0050337500000000, 0.0005910900000000 ] - [ -0.0006305100000000, 0.0000461400000000, 0.0022119900000000 ] - [ 0.0004185400000000, -0.0004118600000000, 0.0004570900000000 ] - [ -0.0009567000000000, -0.0011969800000000, -0.0004744400000000 ] - [ -0.0001842800000000, -0.0028118700000000, -0.0007674900000000 ] - [ -0.0007864400000000, -0.0100172800000000, 0.0008459500000000 ] - [ -0.0001156100000000, -0.0021017300000000, 0.0005890900000000 ] - [ -0.0016350800000000, -0.0004346800000000, 0.0003002300000000 ] - [ 0.0074868800000000, -0.0053818100000000, 0.0064168400000000 ] - [ 0.0207995800000000, 0.0035379600000000, -0.0142786300000000 ] - [ -0.0040197000000000, 0.0015755400000000, -0.0000179500000000 ] - [ -0.0016670000000000, -0.0476174500000000, -0.0205862100000000 ] - [ 0.0003166300000000, -0.0006231800000000, 0.0005820000000000 ] - [ -0.0011072200000000, -0.0019210000000000, 0.0026341400000000 ] - [ 0.0000849000000000, -0.0004861100000000, 0.0003138100000000 ] - [ -0.0010947100000000, 0.0009263500000000, -0.0003180500000000 ] - [ -0.0001472500000000, 0.0005520800000000, 0.0007773400000000 ]- atom: 37 displacement: [ -0.0001950079929100, 0.0000000000000000, 0.0099980984133335 ] forces: - [ -0.0023182300000000, 0.0001993900000000, 0.0139163500000000 ] - [ 0.0010178400000000, -0.0011190700000000, 0.0033183500000000 ] - [ 0.0024554900000000, -0.0031337600000000, -0.0022827100000000 ] - [ -0.0025526200000000, -0.0023731000000000, -0.0031351800000000 ] - [ -0.0005021800000000, -0.0005992800000000, -0.0007555300000000 ] - [ 0.0000773400000000, -0.0004440500000000, -0.0005386000000000 ] - [ -0.0013849400000000, 0.0005252900000000, 0.0024642200000000 ] - [ -0.0199162000000000, -0.0034155400000000, 0.0153124000000000 ] - [ 0.0005232900000000, 0.0003913400000000, 0.0014329900000000 ] - [ -0.0015436400000000, 0.0011724100000000, 0.0019943800000000 ] - [ -0.0000416200000000, 0.0020180900000000, 0.0008132400000000 ] - [ 0.0012763000000000, 0.0032730500000000, -0.0000000700000000 ] - [ 0.0011298300000000, -0.0034177400000000, 0.0049224200000000 ] - [ 0.0002600000000000, 0.0000672500000000, 0.0014729800000000 ] - [ -0.0134681100000000, 0.0244829500000000, 0.0747027700000000 ] - [ -0.0011784700000000, 0.0026426900000000, 0.0031225500000000 ] - [ 0.0049668500000000, 0.0055941200000000, -0.0064655200000000 ] - [ -0.0156833000000000, -0.0000085000000000, -0.0055312300000000 ] - [ -0.0006606300000000, 0.0012500100000000, -0.0017853300000000 ] - [ -0.0007944600000000, 0.0022397100000000, -0.0035031100000000 ] - [ -0.0002534500000000, -0.0010260100000000, -0.0008675700000000 ] - [ -0.0002515700000000, -0.0021443500000000, -0.0031100200000000 ] - [ 0.0002761600000000, -0.0004638000000000, 0.0000832000000000 ] - [ -0.0000811800000000, -0.0003907800000000, 0.0004314200000000 ] - [ 0.0001342800000000, -0.0007308700000000, 0.0002040600000000 ] - [ 0.0003543600000000, -0.0004939000000000, -0.0000423000000000 ] - [ -0.0001667000000000, -0.0051089800000000, -0.0019664200000000 ] - [ 0.0005636900000000, -0.0018060900000000, -0.0019160100000000 ] - [ 0.0058904400000000, 0.0042263600000000, -0.0166553200000000 ] - [ 0.0024484300000000, -0.0006978800000000, -0.0033547400000000 ] - [ 0.0002882300000000, -0.0004372300000000, 0.0000480800000000 ] - [ -0.0005979700000000, 0.0004383900000000, 0.0002013700000000 ] - [ 0.0001582300000000, 0.0001894800000000, 0.0003009700000000 ] - [ 0.0007248500000000, 0.0003429600000000, -0.0001445000000000 ] - [ -0.0003373900000000, -0.0000308600000000, -0.0007044700000000 ] - [ -0.0002096100000000, 0.0000580600000000, -0.0005597300000000 ] - [ 0.0614754200000000, -0.0692275300000000, -0.1854459800000000 ] - [ -0.0017488000000000, 0.0008223200000000, -0.0050908800000000 ] - [ -0.0001215900000000, -0.0002822200000000, 0.0004040700000000 ] - [ -0.0009698700000000, -0.0007407300000000, 0.0011021400000000 ] - [ -0.0002334000000000, 0.0007306500000000, -0.0002978700000000 ] - [ 0.0001568600000000, 0.0012575700000000, -0.0000998000000000 ] - [ -0.0004730100000000, -0.0009146900000000, 0.0047583100000000 ] - [ 0.0026695300000000, 0.0010046600000000, 0.0108706000000000 ] - [ 0.0006845400000000, 0.0004761700000000, 0.0000550200000000 ] - [ 0.0014045900000000, 0.0000610300000000, 0.0010155900000000 ] - [ 0.0008040000000000, 0.0014322500000000, -0.0009760700000000 ] - [ -0.0002239400000000, 0.0004593500000000, 0.0007364400000000 ] - [ 0.0016786800000000, 0.0015831300000000, -0.0002709700000000 ] - [ -0.0019958500000000, 0.0070784600000000, 0.0007018600000000 ] - [ -0.0016223600000000, 0.0007548000000000, 0.0150048000000000 ] - [ -0.0010551200000000, 0.0012542600000000, 0.0022359000000000 ] - [ -0.0006904300000000, -0.0009020500000000, 0.0000075400000000 ] - [ -0.0005593100000000, -0.0035446500000000, 0.0008340500000000 ] - [ 0.0032610900000000, 0.0114457600000000, 0.0566236300000000 ] - [ -0.0031212300000000, -0.0008449100000000, 0.0021660000000000 ] - [ -0.0010880000000000, 0.0008764700000000, -0.0008646100000000 ] - [ 0.0002105700000000, -0.0000328900000000, -0.0005063400000000 ] - [ -0.0014042100000000, -0.0022500900000000, 0.0003786800000000 ] - [ 0.0047521200000000, -0.0056187900000000, 0.0033746900000000 ] - [ 0.0000826100000000, -0.0002252400000000, -0.0005864700000000 ] - [ 0.0006208200000000, -0.0006875100000000, -0.0005999200000000 ] - [ 0.0000584900000000, 0.0008014600000000, 0.0005343400000000 ] - [ 0.0002064300000000, 0.0002675600000000, 0.0004807600000000 ] - [ 0.0003737500000000, -0.0004400900000000, 0.0085595500000000 ] - [ 0.0001446400000000, -0.0020010200000000, 0.0027822200000000 ] - [ -0.0001596100000000, 0.0000695100000000, -0.0002970500000000 ] - [ 0.0003094300000000, -0.0000024300000000, -0.0005163200000000 ] - [ 0.0000534500000000, 0.0026724900000000, 0.0000691800000000 ] - [ -0.0007176700000000, 0.0006252000000000, -0.0001544300000000 ] - [ -0.0005105500000000, 0.0001370900000000, -0.0004890800000000 ] - [ 0.0003770800000000, -0.0007276300000000, 0.0005304000000000 ] - [ -0.0303600000000000, 0.0134806400000000, 0.0147430500000000 ] - [ 0.0063228700000000, 0.0013678500000000, 0.0003054100000000 ] - [ 0.0017818300000000, 0.0171052600000000, -0.0028834400000000 ] - [ -0.0002067900000000, 0.0002438500000000, -0.0005462500000000 ] - [ 0.0007647400000000, 0.0004395600000000, -0.0016817500000000 ] - [ -0.0004105300000000, -0.0004392300000000, -0.0006963900000000 ] - [ -0.0004073500000000, 0.0003694300000000, 0.0007595400000000 ] - [ -0.0007172800000000, 0.0007951800000000, 0.0015464300000000 ]- atom: 37 displacement: [ 0.0001950079929100, 0.0000000000000000, -0.0099980984133335 ] forces: - [ 0.0018600200000000, -0.0002060900000000, -0.0138090700000000 ] - [ -0.0015226900000000, 0.0011404300000000, -0.0032773000000000 ] - [ -0.0019562400000000, 0.0030943900000000, 0.0022440600000000 ] - [ 0.0030596400000000, 0.0023392000000000, 0.0031113500000000 ] - [ 0.0000038800000000, 0.0005969100000000, 0.0008062000000000 ] - [ -0.0005740000000000, 0.0004441900000000, 0.0005814100000000 ] - [ 0.0018413000000000, -0.0004749700000000, -0.0025730800000000 ] - [ 0.0214022500000000, 0.0036661100000000, -0.0160157300000000 ] - [ -0.0010316800000000, -0.0002366000000000, -0.0008686000000000 ] - [ 0.0010339100000000, -0.0010210500000000, -0.0014258300000000 ] - [ 0.0003371200000000, -0.0021223100000000, -0.0005327400000000 ] - [ -0.0009938700000000, -0.0033419100000000, 0.0002904500000000 ] - [ -0.0009149300000000, 0.0035072000000000, -0.0042651600000000 ] - [ -0.0000420400000000, 0.0000054400000000, -0.0007843100000000 ] - [ 0.0120652800000000, -0.0205446700000000, -0.0707434900000000 ] - [ 0.0014727600000000, -0.0026034600000000, -0.0028488700000000 ] - [ -0.0054587500000000, -0.0057653400000000, 0.0070461900000000 ] - [ 0.0150598100000000, -0.0001181000000000, 0.0061219500000000 ] - [ 0.0004527700000000, -0.0011456100000000, 0.0010987000000000 ] - [ 0.0005846200000000, -0.0021033400000000, 0.0028416200000000 ] - [ -0.0000144800000000, 0.0009773400000000, 0.0005647500000000 ] - [ -0.0000328200000000, 0.0020951600000000, 0.0028188300000000 ] - [ -0.0005077600000000, 0.0003764000000000, -0.0007839300000000 ] - [ -0.0001293400000000, 0.0003032500000000, -0.0011375200000000 ] - [ 0.0003826600000000, 0.0005293100000000, -0.0007939600000000 ] - [ 0.0001516400000000, 0.0003143200000000, -0.0005303700000000 ] - [ 0.0006779000000000, 0.0053774300000000, 0.0013976000000000 ] - [ -0.0000527700000000, 0.0019933900000000, 0.0013505000000000 ] - [ -0.0055706400000000, -0.0043392900000000, 0.0173289900000000 ] - [ -0.0022226300000000, 0.0006184000000000, 0.0040621700000000 ] - [ -0.0006126100000000, 0.0004871800000000, -0.0003210100000000 ] - [ 0.0003299000000000, -0.0004315100000000, -0.0004917900000000 ] - [ 0.0008801800000000, 0.0002069000000000, -0.0003916300000000 ] - [ 0.0002775000000000, 0.0000097300000000, 0.0000820800000000 ] - [ 0.0001447100000000, -0.0002390000000000, 0.0000349600000000 ] - [ 0.0000073600000000, -0.0003362000000000, -0.0001171000000000 ] - [ -0.0611739000000000, 0.0643963100000000, 0.1813096900000000 ] - [ 0.0014042800000000, -0.0010933500000000, 0.0047206400000000 ] - [ -0.0002269700000000, 0.0005573700000000, -0.0008125900000000 ] - [ 0.0006169200000000, 0.0010045500000000, -0.0015062700000000 ] - [ -0.0002065800000000, -0.0007805100000000, -0.0002748900000000 ] - [ -0.0006010300000000, -0.0013136200000000, -0.0004749600000000 ] - [ 0.0006349600000000, 0.0006407600000000, -0.0040783900000000 ] - [ -0.0024440900000000, -0.0012833300000000, -0.0101726300000000 ] - [ -0.0008931300000000, -0.0002370800000000, -0.0007615400000000 ] - [ -0.0016175500000000, 0.0002043800000000, -0.0017015600000000 ] - [ 0.0001976100000000, -0.0018103700000000, 0.0009241200000000 ] - [ 0.0012376600000000, -0.0008079200000000, -0.0008019000000000 ] - [ -0.0013099700000000, -0.0013239800000000, 0.0006960100000000 ] - [ 0.0023843900000000, -0.0068714600000000, -0.0002686100000000 ] - [ 0.0010179800000000, -0.0015764800000000, -0.0146634000000000 ] - [ 0.0004080700000000, -0.0019697400000000, -0.0016217500000000 ] - [ -0.0003339100000000, 0.0005672100000000, 0.0000625100000000 ] - [ -0.0004550400000000, 0.0032130200000000, -0.0007721700000000 ] - [ -0.0030065000000000, -0.0113047400000000, -0.0552541400000000 ] - [ 0.0032048500000000, 0.0006327200000000, -0.0019684200000000 ] - [ 0.0012933300000000, -0.0005909200000000, 0.0015472100000000 ] - [ -0.0000122300000000, 0.0003213100000000, 0.0011856400000000 ] - [ 0.0020385100000000, 0.0029307300000000, -0.0010050400000000 ] - [ -0.0040462900000000, 0.0062513100000000, -0.0039876000000000 ] - [ 0.0005694300000000, -0.0004611000000000, -0.0000378700000000 ] - [ 0.0000273200000000, 0.0000021400000000, -0.0000253300000000 ] - [ 0.0003043000000000, -0.0010389900000000, -0.0001426700000000 ] - [ 0.0001446500000000, -0.0005028100000000, -0.0000879800000000 ] - [ 0.0000625700000000, 0.0004762200000000, -0.0079952200000000 ] - [ 0.0002994200000000, 0.0019659300000000, -0.0022164400000000 ] - [ 0.0000685000000000, -0.0002763400000000, 0.0001048500000000 ] - [ -0.0004166000000000, -0.0001959600000000, 0.0003291600000000 ] - [ -0.0007079400000000, -0.0019618600000000, 0.0005626100000000 ] - [ 0.0000675100000000, 0.0000843700000000, 0.0007798500000000 ] - [ 0.0000804400000000, -0.0001005800000000, -0.0000989900000000 ] - [ -0.0008834000000000, 0.0007969800000000, -0.0011724200000000 ] - [ 0.0291115200000000, -0.0129436000000000, -0.0146981500000000 ] - [ -0.0073288100000000, -0.0010227200000000, -0.0002380200000000 ] - [ -0.0013309800000000, -0.0171142400000000, 0.0033400800000000 ] - [ 0.0006416300000000, -0.0001846500000000, 0.0011238800000000 ] - [ -0.0006632600000000, -0.0002150800000000, 0.0018898900000000 ] - [ 0.0005116700000000, 0.0006551800000000, 0.0008933100000000 ] - [ 0.0003065100000000, -0.0001658700000000, -0.0009492100000000 ] - [ 0.0006362000000000, -0.0006064000000000, -0.0017516100000000 ]- atom: 41 displacement: [ 0.0099999932521795, 0.0000000000000000, -0.0000116170720741 ] forces: - [ -0.0026281000000000, -0.0020080500000000, -0.0035679300000000 ] - [ 0.0000340500000000, 0.0037549900000000, 0.0027006000000000 ] - [ 0.0030473300000000, -0.0010202900000000, -0.0016476200000000 ] - [ -0.0022533200000000, -0.0003708000000000, -0.0011404700000000 ] - [ -0.0076506900000000, 0.0058331900000000, 0.0071914400000000 ] - [ 0.0081406500000000, -0.0042073400000000, -0.0016114500000000 ] - [ 0.0014434400000000, -0.0014468500000000, 0.0003434100000000 ] - [ -0.0013255300000000, -0.0010878200000000, -0.0005347400000000 ] - [ -0.0007403600000000, -0.0006699800000000, 0.0010998800000000 ] - [ -0.0010611100000000, 0.0007050100000000, 0.0004738800000000 ] - [ 0.0012852000000000, -0.0000684800000000, -0.0002253400000000 ] - [ -0.0015458800000000, -0.0017489100000000, 0.0031711900000000 ] - [ 0.0013013000000000, 0.0013212800000000, 0.0005738600000000 ] - [ -0.0007085700000000, -0.0005801100000000, 0.0002747300000000 ] - [ 0.0007480400000000, -0.0004265800000000, 0.0000062200000000 ] - [ -0.0004464600000000, -0.0005538200000000, 0.0002252900000000 ] - [ 0.0000609700000000, -0.0000371700000000, 0.0004607800000000 ] - [ -0.0006004300000000, -0.0007413900000000, 0.0002941100000000 ] - [ 0.0028284500000000, -0.0007579800000000, -0.0006104000000000 ] - [ -0.0017042900000000, 0.0005166500000000, 0.0001782200000000 ] - [ 0.0496346500000000, 0.0232357500000000, 0.0049389900000000 ] - [ -0.0058753800000000, -0.0003286600000000, 0.0004062600000000 ] - [ 0.0484458500000000, -0.0111490700000000, 0.0164203200000000 ] - [ -0.0055783600000000, 0.0007479200000000, -0.0008817000000000 ] - [ -0.0032256800000000, -0.0011206200000000, -0.0102899300000000 ] - [ 0.0019497400000000, -0.0019609900000000, 0.0022976500000000 ] - [ -0.0026587700000000, -0.0038140700000000, 0.0094792500000000 ] - [ 0.0021606600000000, 0.0024913700000000, -0.0030607800000000 ] - [ 0.0013093700000000, -0.0012286500000000, 0.0012082300000000 ] - [ -0.0006815600000000, -0.0005290600000000, -0.0002944900000000 ] - [ 0.0029810100000000, 0.0024462000000000, -0.0001146000000000 ] - [ -0.0025093800000000, 0.0004790400000000, -0.0010914600000000 ] - [ -0.0010289200000000, 0.0002281100000000, 0.0018241800000000 ] - [ 0.0017880500000000, -0.0004440700000000, 0.0017086600000000 ] - [ 0.0282632600000000, -0.0241220900000000, 0.0234206500000000 ] - [ 0.0060458400000000, 0.0026639400000000, -0.0018849000000000 ] - [ -0.0004235400000000, 0.0004697700000000, -0.0002179900000000 ] - [ -0.0002772900000000, -0.0002813300000000, 0.0001737000000000 ] - [ -0.0004389400000000, -0.0012837600000000, -0.0004984400000000 ] - [ -0.0004603300000000, 0.0077140800000000, 0.0004208200000000 ] - [ -0.1493103700000000, -0.0269500000000000, -0.0408318000000000 ] - [ 0.0029183100000000, -0.0003383400000000, -0.0001586300000000 ] - [ -0.0006074400000000, -0.0000159500000000, 0.0001089300000000 ] - [ 0.0007387700000000, 0.0001536100000000, 0.0005119600000000 ] - [ -0.0015443800000000, 0.0006081800000000, -0.0023777800000000 ] - [ 0.0006366800000000, -0.0002869000000000, 0.0003403200000000 ] - [ 0.0352253800000000, 0.0328973700000000, -0.0137589700000000 ] - [ 0.0101467800000000, -0.0059845900000000, 0.0020878100000000 ] - [ -0.0076302000000000, 0.0018631200000000, 0.0015702300000000 ] - [ 0.0025453300000000, 0.0000278800000000, -0.0001723400000000 ] - [ 0.0001928900000000, 0.0041774800000000, -0.0009629600000000 ] - [ -0.0008106200000000, -0.0008421500000000, 0.0003547600000000 ] - [ -0.0014707500000000, 0.0008929100000000, 0.0002264300000000 ] - [ 0.0005096100000000, -0.0000291100000000, -0.0003922200000000 ] - [ -0.0000227200000000, 0.0002285900000000, -0.0002682800000000 ] - [ 0.0000475300000000, 0.0000621100000000, 0.0002056400000000 ] - [ -0.0007866300000000, 0.0002961000000000, 0.0001290300000000 ] - [ 0.0007982700000000, 0.0001214700000000, 0.0004407000000000 ] - [ -0.0005370300000000, 0.0001488700000000, -0.0001877300000000 ] - [ 0.0012534500000000, 0.0007906000000000, 0.0000835300000000 ] - [ -0.0068634000000000, 0.0061440400000000, -0.0013268500000000 ] - [ 0.0032049100000000, -0.0009331500000000, 0.0001416000000000 ] - [ -0.0027291400000000, -0.0009760900000000, 0.0002762600000000 ] - [ 0.0055456300000000, 0.0000688800000000, 0.0002100500000000 ] - [ -0.0000443700000000, 0.0006845400000000, 0.0004507700000000 ] - [ 0.0002212500000000, 0.0017059700000000, -0.0004412000000000 ] - [ -0.0084336500000000, 0.0033921300000000, -0.0070292900000000 ] - [ 0.0033466900000000, 0.0000417900000000, 0.0009949600000000 ] - [ 0.0009632600000000, -0.0025967800000000, 0.0033449300000000 ] - [ -0.0006856900000000, 0.0010429600000000, 0.0001726700000000 ] - [ -0.0011478400000000, -0.0004647400000000, -0.0004427600000000 ] - [ 0.0007889600000000, -0.0007711800000000, -0.0002088900000000 ] - [ -0.0008601900000000, 0.0003964200000000, 0.0000993600000000 ] - [ -0.0001274400000000, 0.0004593800000000, 0.0000282100000000 ] - [ 0.0001169400000000, 0.0000301400000000, 0.0004452800000000 ] - [ 0.0005087300000000, 0.0005492400000000, 0.0003988500000000 ] - [ 0.0001499000000000, -0.0002960900000000, 0.0000025800000000 ] - [ -0.0002682800000000, 0.0000507100000000, -0.0003283200000000 ] - [ -0.0074693800000000, -0.0069954800000000, 0.0057512200000000 ] - [ 0.0038452700000000, 0.0000267000000000, -0.0011081300000000 ]- atom: 41 displacement: [ -0.0099999932521795, 0.0000000000000000, 0.0000116170720741 ] forces: - [ 0.0021515200000000, 0.0019919100000000, 0.0036055200000000 ] - [ -0.0005877400000000, -0.0037866000000000, -0.0026499800000000 ] - [ -0.0025675800000000, 0.0010094200000000, 0.0016293000000000 ] - [ 0.0027608300000000, 0.0003841300000000, 0.0011105600000000 ] - [ 0.0071774800000000, -0.0058255000000000, -0.0071458600000000 ] - [ -0.0090520100000000, 0.0039435300000000, 0.0012936000000000 ] - [ -0.0009632200000000, 0.0015114000000000, -0.0004120800000000 ] - [ 0.0018232800000000, 0.0010966200000000, 0.0004906000000000 ] - [ 0.0002483200000000, 0.0007845800000000, -0.0005192000000000 ] - [ 0.0005558900000000, -0.0005186300000000, 0.0000910000000000 ] - [ -0.0009891000000000, 0.0000269700000000, 0.0005073100000000 ] - [ 0.0018295600000000, 0.0017244100000000, -0.0029163300000000 ] - [ -0.0010713800000000, -0.0012319200000000, 0.0001190000000000 ] - [ 0.0009184900000000, 0.0006658300000000, 0.0004155700000000 ] - [ -0.0004582800000000, 0.0004840500000000, 0.0002808900000000 ] - [ 0.0007257900000000, 0.0006116200000000, 0.0000636500000000 ] - [ -0.0005706100000000, -0.0001247000000000, 0.0001098500000000 ] - [ 0.0000927100000000, 0.0005736100000000, 0.0002749400000000 ] - [ -0.0030254500000000, 0.0008524100000000, -0.0001031300000000 ] - [ 0.0014780100000000, -0.0004406700000000, -0.0008621600000000 ] - [ -0.0504287400000000, -0.0224347300000000, -0.0053771700000000 ] - [ 0.0056008200000000, 0.0002801100000000, -0.0007037600000000 ] - [ -0.0494158800000000, 0.0106501300000000, -0.0169060900000000 ] - [ 0.0053741400000000, -0.0008473500000000, 0.0001939400000000 ] - [ 0.0037665500000000, 0.0009277000000000, 0.0097288200000000 ] - [ -0.0015470700000000, 0.0017901300000000, -0.0028877200000000 ] - [ 0.0032083100000000, 0.0040033900000000, -0.0100516900000000 ] - [ -0.0017101000000000, -0.0023257500000000, 0.0025015100000000 ] - [ -0.0010819000000000, 0.0011466600000000, -0.0005151600000000 ] - [ 0.0008956500000000, 0.0004502500000000, 0.0009818900000000 ] - [ -0.0032177700000000, -0.0023847300000000, -0.0001115100000000 ] - [ 0.0022270300000000, -0.0004511300000000, 0.0008155900000000 ] - [ 0.0020212800000000, 0.0001255800000000, -0.0018965000000000 ] - [ -0.0007552300000000, 0.0008029600000000, -0.0018086800000000 ] - [ -0.0280756200000000, 0.0233997300000000, -0.0237460300000000 ] - [ -0.0063361000000000, -0.0030195700000000, 0.0012624400000000 ] - [ 0.0000642800000000, -0.0007242000000000, -0.0001813900000000 ] - [ -0.0000655600000000, 0.0000286000000000, -0.0005793700000000 ] - [ 0.0000792400000000, 0.0015265200000000, 0.0001031600000000 ] - [ 0.0001217000000000, -0.0075655600000000, -0.0008264000000000 ] - [ 0.1496295700000000, 0.0266188000000000, 0.0407616900000000 ] - [ -0.0033619700000000, 0.0003000500000000, -0.0004131200000000 ] - [ 0.0008030200000000, -0.0002659600000000, 0.0005705700000000 ] - [ -0.0005338600000000, -0.0004351000000000, 0.0001675000000000 ] - [ 0.0013267500000000, -0.0003307300000000, 0.0016990600000000 ] - [ -0.0008251900000000, 0.0005697700000000, -0.0010238300000000 ] - [ -0.0337064400000000, -0.0326311200000000, 0.0135009800000000 ] - [ -0.0092965200000000, 0.0057873700000000, -0.0022086700000000 ] - [ 0.0079936500000000, -0.0019123300000000, -0.0012460900000000 ] - [ -0.0021963700000000, 0.0002278300000000, 0.0005819300000000 ] - [ -0.0008469100000000, -0.0048561000000000, 0.0015813900000000 ] - [ 0.0001759400000000, 0.0001386000000000, 0.0002719100000000 ] - [ 0.0004493900000000, -0.0012438900000000, -0.0001527100000000 ] - [ -0.0015239600000000, -0.0003242500000000, 0.0004632400000000 ] - [ 0.0001201300000000, -0.0004398500000000, 0.0004621500000000 ] - [ 0.0000545900000000, -0.0002751600000000, -0.0000103300000000 ] - [ 0.0009783400000000, -0.0000107400000000, 0.0005395000000000 ] - [ -0.0005909600000000, 0.0001541700000000, 0.0002412700000000 ] - [ 0.0011892700000000, 0.0005453800000000, -0.0004378400000000 ] - [ -0.0006038900000000, -0.0000917000000000, -0.0007100800000000 ] - [ 0.0075864600000000, -0.0066784400000000, 0.0006596800000000 ] - [ -0.0025602500000000, 0.0002250200000000, -0.0007589600000000 ] - [ 0.0031033400000000, 0.0007425200000000, 0.0000983100000000 ] - [ -0.0052173700000000, -0.0003255100000000, 0.0001601300000000 ] - [ 0.0004805600000000, -0.0007366500000000, 0.0001290400000000 ] - [ 0.0002318900000000, -0.0017787000000000, 0.0010364700000000 ] - [ 0.0084399100000000, -0.0034852600000000, 0.0066346300000000 ] - [ -0.0034564200000000, -0.0002464100000000, -0.0011864800000000 ] - [ -0.0016147400000000, 0.0032821500000000, -0.0027101400000000 ] - [ 0.0000582700000000, -0.0003310300000000, 0.0004519200000000 ] - [ 0.0007051900000000, 0.0005061700000000, -0.0001415200000000 ] - [ -0.0012308900000000, 0.0008318800000000, -0.0003730600000000 ] - [ -0.0001574900000000, -0.0000559700000000, -0.0000332900000000 ] - [ -0.0008838400000000, -0.0001189900000000, 0.0000382700000000 ] - [ 0.0003169300000000, 0.0000098900000000, 0.0001286100000000 ] - [ -0.0000669800000000, -0.0005052200000000, 0.0001756300000000 ] - [ -0.0000567500000000, 0.0005001800000000, 0.0001934500000000 ] - [ 0.0003887500000000, 0.0001694100000000, 0.0005263300000000 ] - [ 0.0074457400000000, 0.0071716100000000, -0.0059496100000000 ] - [ -0.0039483900000000, 0.0001871500000000, 0.0009031600000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0052619900000000, 0.0031805800000000, -0.0044515300000000 ] - [ 0.0070002800000000, 0.0040025300000000, -0.0073411300000000 ] - [ 0.0009744100000000, -0.0060017500000000, -0.0009403500000000 ] - [ -0.0001630500000000, -0.0043123900000000, -0.0001488500000000 ] - [ 0.0042893300000000, 0.0062070200000000, -0.0025988700000000 ] - [ -0.0066432100000000, 0.0108186500000000, -0.0089761500000000 ] - [ 0.0024234800000000, -0.0141892700000000, 0.0036113200000000 ] - [ -0.0001401600000000, -0.0047664800000000, -0.0001588400000000 ] - [ 0.0003965400000000, -0.0183863300000000, 0.0051428800000000 ] - [ 0.0000218300000000, -0.0015745300000000, -0.0001236700000000 ] - [ 0.0024311900000000, -0.0040155000000000, -0.0009012800000000 ] - [ -0.0012402600000000, -0.0062640300000000, -0.0004620300000000 ] - [ 0.0025862400000000, -0.0028490000000000, 0.0012126100000000 ] - [ -0.0009869000000000, -0.0026515900000000, 0.0023246300000000 ] - [ -0.0004505400000000, -0.0041092300000000, 0.0001022100000000 ] - [ 0.0003870300000000, -0.0046192100000000, -0.0003112000000000 ] - [ -0.0001606700000000, -0.0042639100000000, 0.0007484300000000 ] - [ -0.0003807100000000, -0.0020528900000000, 0.0008309500000000 ] - [ -0.0058331400000000, 0.0047807700000000, 0.0127266600000000 ] - [ 0.0016049200000000, 0.0022006700000000, 0.0018980300000000 ] - [ 0.0323037800000000, 0.1189178100000000, -0.0179885400000000 ] - [ 0.0023659300000000, 0.0057662200000000, -0.0021674500000000 ] - [ -0.0166857600000000, 0.1102492100000000, -0.0387247100000000 ] - [ -0.0025068100000000, 0.0029478500000000, -0.0024030500000000 ] - [ 0.0026117700000000, 0.0006020800000000, 0.0067925500000000 ] - [ -0.0055895500000000, -0.0014057400000000, 0.0018381600000000 ] - [ -0.0033254900000000, -0.0043448800000000, 0.0074184500000000 ] - [ 0.0121875000000000, -0.0032096300000000, -0.0003235600000000 ] - [ -0.0006540100000000, -0.0032569700000000, 0.0005942700000000 ] - [ 0.0006906500000000, -0.0033801000000000, 0.0011848200000000 ] - [ 0.0030037700000000, 0.0111955700000000, 0.0051400100000000 ] - [ -0.0018170700000000, 0.0057900200000000, 0.0002782400000000 ] - [ 0.0002827000000000, -0.0030318700000000, -0.0016766100000000 ] - [ 0.0025292800000000, -0.0031170200000000, 0.0012806300000000 ] - [ -0.0227075400000000, 0.0029607400000000, -0.0145040200000000 ] - [ 0.0052449500000000, -0.0007997700000000, -0.0004719700000000 ] - [ 0.0007370400000000, 0.0015324700000000, 0.0005767700000000 ] - [ -0.0014972300000000, 0.0021128500000000, 0.0010694300000000 ] - [ -0.0006640000000000, 0.0005956700000000, -0.0003359400000000 ] - [ 0.0005988900000000, 0.0055613400000000, 0.0005741400000000 ] - [ -0.0301174600000000, -0.4296334000000000, 0.1285607000000000 ] - [ -0.0005369300000000, -0.0057675800000000, 0.0003745400000000 ] - [ 0.0007223500000000, 0.0018503400000000, 0.0001296200000000 ] - [ -0.0003895500000000, 0.0010123700000000, 0.0000475600000000 ] - [ 0.0015028700000000, -0.0003002300000000, -0.0035242100000000 ] - [ -0.0030327000000000, -0.0007834800000000, -0.0015098000000000 ] - [ 0.0346967500000000, 0.0153450500000000, -0.0088300000000000 ] - [ -0.0092357100000000, -0.0006892200000000, 0.0000472500000000 ] - [ -0.0003502800000000, 0.0486000100000000, 0.0174798300000000 ] - [ 0.0005865900000000, 0.0007545900000000, 0.0004164200000000 ] - [ 0.0005669000000000, 0.0041307600000000, -0.0004845700000000 ] - [ -0.0026101800000000, 0.0043813900000000, 0.0006127800000000 ] - [ -0.0030702200000000, 0.0081250900000000, 0.0015865400000000 ] - [ -0.0002160700000000, 0.0018780900000000, 0.0001103300000000 ] - [ 0.0001187600000000, 0.0012570900000000, -0.0003890900000000 ] - [ -0.0005764500000000, 0.0016188900000000, -0.0003998400000000 ] - [ -0.0022483600000000, 0.0039333000000000, -0.0027256600000000 ] - [ 0.0006125900000000, 0.0010758000000000, 0.0000673600000000 ] - [ 0.0001636600000000, 0.0026623400000000, -0.0035120700000000 ] - [ 0.0005352700000000, 0.0012586300000000, -0.0002868500000000 ] - [ 0.0042542900000000, 0.0862381600000000, -0.0062474600000000 ] - [ 0.0005119900000000, -0.0001463100000000, 0.0000072000000000 ] - [ -0.0011086400000000, -0.0002063400000000, 0.0006385300000000 ] - [ 0.0018824200000000, 0.0002442800000000, 0.0022289900000000 ] - [ -0.0004866600000000, 0.0041373800000000, 0.0006807200000000 ] - [ -0.0015363300000000, 0.0059620900000000, -0.0008459900000000 ] - [ 0.0026888900000000, 0.0009485700000000, -0.0267432700000000 ] - [ -0.0008332800000000, -0.0014632100000000, -0.0010134200000000 ] - [ -0.0014000600000000, 0.0024551900000000, -0.0014060000000000 ] - [ 0.0006550600000000, 0.0026313200000000, -0.0002445400000000 ] - [ 0.0002640100000000, -0.0082510600000000, -0.0038762100000000 ] - [ 0.0005844600000000, -0.0049561700000000, -0.0006869000000000 ] - [ 0.0001636500000000, 0.0028470300000000, 0.0001830900000000 ] - [ -0.0004958000000000, 0.0021596000000000, 0.0002006700000000 ] - [ 0.0002339300000000, 0.0038790900000000, -0.0001736800000000 ] - [ 0.0007472900000000, 0.0042158500000000, -0.0000705000000000 ] - [ -0.0005585700000000, 0.0014688600000000, 0.0004898600000000 ] - [ 0.0042943600000000, 0.0050123500000000, -0.0006086400000000 ] - [ -0.0063542300000000, 0.0359433000000000, -0.0390554400000000 ] - [ 0.0014080300000000, -0.0006497800000000, -0.0015632700000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0047106500000000, -0.0031606400000000, 0.0044585900000000 ] - [ -0.0074501000000000, -0.0039386900000000, 0.0073498500000000 ] - [ -0.0004478600000000, 0.0059290900000000, 0.0008853500000000 ] - [ 0.0006549900000000, 0.0042584200000000, 0.0001055400000000 ] - [ -0.0047528800000000, -0.0062082700000000, 0.0026184300000000 ] - [ 0.0058585200000000, -0.0111431800000000, 0.0087504300000000 ] - [ -0.0018877400000000, 0.0141214400000000, -0.0035891400000000 ] - [ 0.0006396900000000, 0.0047586200000000, 0.0001224800000000 ] - [ -0.0009052200000000, 0.0184945600000000, -0.0045901800000000 ] - [ -0.0005320200000000, 0.0017129800000000, 0.0006953600000000 ] - [ -0.0021707900000000, 0.0039407100000000, 0.0011929200000000 ] - [ 0.0015236400000000, 0.0061650200000000, 0.0007959900000000 ] - [ -0.0023852000000000, 0.0029066100000000, -0.0005288400000000 ] - [ 0.0012146100000000, 0.0027074100000000, -0.0016563600000000 ] - [ 0.0007243900000000, 0.0041362100000000, 0.0001816600000000 ] - [ -0.0000993800000000, 0.0046397900000000, 0.0005921800000000 ] - [ -0.0003443700000000, 0.0040729300000000, -0.0001777200000000 ] - [ -0.0001275800000000, 0.0018787800000000, -0.0002577800000000 ] - [ 0.0055639800000000, -0.0046343000000000, -0.0133523100000000 ] - [ -0.0018110100000000, -0.0020995400000000, -0.0025831200000000 ] - [ -0.0285646700000000, -0.1086005800000000, 0.0159207700000000 ] - [ -0.0026638900000000, -0.0057745600000000, 0.0018743200000000 ] - [ 0.0189769300000000, -0.1166347500000000, 0.0431855000000000 ] - [ 0.0022591200000000, -0.0030147400000000, 0.0017039600000000 ] - [ -0.0020741700000000, -0.0007545800000000, -0.0072875900000000 ] - [ 0.0060601600000000, 0.0012029500000000, -0.0023863600000000 ] - [ 0.0038377000000000, 0.0044992800000000, -0.0079928300000000 ] - [ -0.0115799300000000, 0.0033968000000000, -0.0002741400000000 ] - [ 0.0008561800000000, 0.0031671800000000, 0.0000958900000000 ] - [ -0.0004653000000000, 0.0032803600000000, -0.0004896800000000 ] - [ -0.0032718600000000, -0.0110639700000000, -0.0053865800000000 ] - [ 0.0015229900000000, -0.0056930900000000, -0.0005643000000000 ] - [ 0.0007270900000000, 0.0033546300000000, 0.0016016700000000 ] - [ -0.0015053400000000, 0.0034390900000000, -0.0013392600000000 ] - [ 0.0224220700000000, -0.0031046600000000, 0.0137864800000000 ] - [ -0.0054135700000000, 0.0005437500000000, -0.0002229800000000 ] - [ -0.0010722900000000, -0.0017773400000000, -0.0009716500000000 ] - [ 0.0011251800000000, -0.0023542900000000, -0.0014523200000000 ] - [ 0.0003204300000000, -0.0003298500000000, -0.0000782200000000 ] - [ -0.0009631200000000, -0.0052076100000000, -0.0009807200000000 ] - [ 0.0231936300000000, 0.4260684300000000, -0.1318328900000000 ] - [ 0.0000999600000000, 0.0056828900000000, -0.0009510300000000 ] - [ -0.0005154800000000, -0.0021265300000000, 0.0005469400000000 ] - [ 0.0005833100000000, -0.0012885300000000, 0.0006282500000000 ] - [ -0.0016896200000000, 0.0005734200000000, 0.0028299900000000 ] - [ 0.0028087100000000, 0.0010519900000000, 0.0008281500000000 ] - [ -0.0333832200000000, -0.0156781000000000, 0.0087061800000000 ] - [ 0.0101994400000000, 0.0002937300000000, -0.0000990600000000 ] - [ 0.0007642600000000, -0.0474408900000000, -0.0167270600000000 ] - [ -0.0002241200000000, -0.0005064500000000, -0.0000265200000000 ] - [ -0.0012138600000000, -0.0048394700000000, 0.0011158500000000 ] - [ 0.0019391100000000, -0.0050681700000000, 0.0000134300000000 ] - [ 0.0020738200000000, -0.0084845500000000, -0.0015435400000000 ] - [ -0.0008011800000000, -0.0022063700000000, -0.0000485700000000 ] - [ -0.0000166200000000, -0.0014614500000000, 0.0005832600000000 ] - [ 0.0006706100000000, -0.0018192100000000, 0.0005912700000000 ] - [ 0.0024631900000000, -0.0036470200000000, 0.0034289300000000 ] - [ -0.0004160100000000, -0.0007833200000000, 0.0006128200000000 ] - [ 0.0004823500000000, -0.0019502300000000, 0.0028509600000000 ] - [ 0.0001162200000000, -0.0005617800000000, -0.0003367200000000 ] - [ -0.0036238200000000, -0.0890017100000000, 0.0057557000000000 ] - [ 0.0001428500000000, -0.0005335400000000, -0.0006329000000000 ] - [ 0.0014476600000000, -0.0000231800000000, -0.0002281200000000 ] - [ -0.0015099700000000, -0.0004878000000000, -0.0018055900000000 ] - [ 0.0009332800000000, -0.0041700300000000, -0.0001027800000000 ] - [ 0.0019509800000000, -0.0059612200000000, 0.0013943900000000 ] - [ -0.0027656800000000, -0.0009923500000000, 0.0265072000000000 ] - [ 0.0007377400000000, 0.0012463700000000, 0.0008155100000000 ] - [ 0.0007445100000000, -0.0017220600000000, 0.0020128100000000 ] - [ -0.0012962300000000, -0.0018931400000000, 0.0008715100000000 ] - [ -0.0006982300000000, 0.0082338900000000, 0.0032846400000000 ] - [ -0.0010173200000000, 0.0049657700000000, 0.0001086400000000 ] - [ -0.0011719900000000, -0.0024842100000000, -0.0001105400000000 ] - [ -0.0005212000000000, -0.0018027500000000, -0.0001304100000000 ] - [ 0.0002147700000000, -0.0038066300000000, 0.0007554300000000 ] - [ -0.0003062900000000, -0.0041407300000000, 0.0006568000000000 ] - [ 0.0006674800000000, -0.0012459500000000, -0.0002921100000000 ] - [ -0.0042304900000000, -0.0048139400000000, 0.0008085400000000 ] - [ 0.0061463400000000, -0.0351380000000000, 0.0380456400000000 ] - [ -0.0014889100000000, 0.0008508800000000, 0.0013597200000000 ]- atom: 41 displacement: [ -0.0001950079929100, 0.0000000000000000, 0.0099980984133335 ] forces: - [ -0.0016534500000000, -0.0016476100000000, -0.0002272700000000 ] - [ 0.0032997000000000, -0.0043527100000000, -0.0041038700000000 ] - [ 0.0014970000000000, 0.0002661900000000, -0.0033106700000000 ] - [ -0.0010106300000000, -0.0005561900000000, -0.0017469700000000 ] - [ 0.0012022000000000, -0.0024253000000000, 0.0028728800000000 ] - [ 0.0027594300000000, -0.0055311200000000, 0.0064635300000000 ] - [ 0.0016509000000000, -0.0019396200000000, 0.0029842200000000 ] - [ 0.0002041300000000, 0.0005137900000000, 0.0005791500000000 ] - [ 0.0004550500000000, 0.0011259900000000, -0.0004418000000000 ] - [ -0.0008367400000000, 0.0001078100000000, 0.0008794600000000 ] - [ -0.0004279300000000, 0.0002770800000000, 0.0009621100000000 ] - [ -0.0006149100000000, -0.0011810100000000, 0.0030914600000000 ] - [ -0.0000891500000000, 0.0013618900000000, 0.0002220200000000 ] - [ 0.0003466100000000, 0.0011963500000000, 0.0010690500000000 ] - [ 0.0002113800000000, 0.0002474000000000, -0.0002231600000000 ] - [ 0.0002702400000000, -0.0000227700000000, -0.0005960600000000 ] - [ -0.0000162100000000, 0.0008386200000000, -0.0001439600000000 ] - [ -0.0002191300000000, 0.0000292800000000, 0.0000768500000000 ] - [ 0.0034594400000000, -0.0016801800000000, -0.0098069700000000 ] - [ -0.0005705200000000, -0.0000746700000000, -0.0010258000000000 ] - [ 0.0008659800000000, -0.0249943000000000, 0.0448069200000000 ] - [ -0.0005515100000000, -0.0003903500000000, 0.0003106200000000 ] - [ 0.0205292600000000, -0.0379777400000000, 0.0650149200000000 ] - [ 0.0010001300000000, -0.0007142500000000, 0.0015145100000000 ] - [ -0.0029598400000000, 0.0003875100000000, -0.0072977200000000 ] - [ 0.0127723600000000, 0.0027766900000000, -0.0017339200000000 ] - [ 0.0012955700000000, 0.0013299600000000, -0.0022888100000000 ] - [ -0.0080265600000000, 0.0021444200000000, 0.0008091400000000 ] - [ 0.0002014800000000, 0.0005027500000000, 0.0002918000000000 ] - [ -0.0001493000000000, 0.0005772800000000, -0.0002394400000000 ] - [ -0.0045613500000000, -0.0041131100000000, -0.0133914300000000 ] - [ 0.0004032300000000, 0.0007706300000000, -0.0026316100000000 ] - [ 0.0016502600000000, 0.0007391500000000, 0.0026184400000000 ] - [ -0.0020004000000000, 0.0003340600000000, 0.0032443300000000 ] - [ 0.0209890800000000, -0.0134856200000000, 0.0048191000000000 ] - [ -0.0050423700000000, -0.0014086900000000, -0.0022185200000000 ] - [ 0.0000959400000000, 0.0000613500000000, -0.0002073300000000 ] - [ -0.0004045200000000, 0.0004677000000000, -0.0000289800000000 ] - [ 0.0000755600000000, 0.0007368500000000, -0.0003834000000000 ] - [ -0.0010098400000000, 0.0066091600000000, 0.0006207100000000 ] - [ -0.0383806400000000, 0.1326778600000000, -0.1593721700000000 ] - [ -0.0001552100000000, 0.0006579500000000, -0.0015677600000000 ] - [ -0.0000666700000000, -0.0008020300000000, 0.0002686700000000 ] - [ 0.0002209500000000, -0.0002811700000000, 0.0004838200000000 ] - [ -0.0010785900000000, 0.0002080900000000, 0.0008711600000000 ] - [ 0.0014792800000000, 0.0002278300000000, 0.0010720900000000 ] - [ -0.0083696100000000, -0.0064733200000000, -0.0067533200000000 ] - [ 0.0028032300000000, -0.0001087800000000, -0.0016444600000000 ] - [ -0.0001181000000000, 0.0211088100000000, -0.0030326800000000 ] - [ -0.0000149100000000, -0.0001671000000000, -0.0006345300000000 ] - [ -0.0004093300000000, -0.0015221200000000, 0.0005124300000000 ] - [ 0.0008421300000000, -0.0024694600000000, -0.0007294300000000 ] - [ -0.0000864200000000, -0.0007102300000000, -0.0006341900000000 ] - [ -0.0000127200000000, -0.0001808200000000, -0.0003889600000000 ] - [ 0.0000404600000000, -0.0002914400000000, 0.0003312900000000 ] - [ 0.0001614900000000, -0.0003130800000000, 0.0004159000000000 ] - [ 0.0000756700000000, -0.0003966400000000, 0.0004823500000000 ] - [ -0.0001640800000000, -0.0000950600000000, 0.0000376800000000 ] - [ 0.0004917700000000, -0.0004064000000000, 0.0027880200000000 ] - [ 0.0004221800000000, 0.0002360500000000, 0.0000493600000000 ] - [ 0.0001232400000000, -0.0040596700000000, -0.0078359100000000 ] - [ 0.0007747600000000, -0.0003668600000000, -0.0018369900000000 ] - [ -0.0001549900000000, 0.0018053100000000, 0.0084613600000000 ] - [ 0.0023185800000000, 0.0000223200000000, 0.0027341200000000 ] - [ 0.0003868000000000, -0.0004374300000000, -0.0000283800000000 ] - [ -0.0005162300000000, 0.0010537000000000, -0.0011373700000000 ] - [ -0.0077147400000000, -0.0245746600000000, 0.0426610000000000 ] - [ 0.0012200900000000, 0.0001285900000000, 0.0011479600000000 ] - [ 0.0007107300000000, -0.0016717900000000, 0.0024032200000000 ] - [ -0.0023651600000000, -0.0030854000000000, 0.0011073100000000 ] - [ -0.0003506200000000, 0.0036326500000000, 0.0040746900000000 ] - [ -0.0001588600000000, 0.0004465300000000, 0.0003629300000000 ] - [ -0.0006488900000000, -0.0000773500000000, 0.0003991300000000 ] - [ -0.0006778600000000, 0.0001329800000000, 0.0002260100000000 ] - [ 0.0003801500000000, -0.0004458200000000, 0.0006982000000000 ] - [ 0.0003249400000000, -0.0003577600000000, 0.0008779600000000 ] - [ 0.0004212200000000, -0.0003338700000000, -0.0002251000000000 ] - [ -0.0003656700000000, -0.0000934200000000, -0.0005772700000000 ] - [ 0.0039430800000000, -0.0336680500000000, 0.0226081200000000 ] - [ -0.0004220100000000, 0.0001444000000000, 0.0001202200000000 ]- atom: 41 displacement: [ 0.0001950079929100, 0.0000000000000000, -0.0099980984133335 ] forces: - [ 0.0011610000000000, 0.0016169200000000, 0.0002956300000000 ] - [ -0.0037954000000000, 0.0042747300000000, 0.0041751600000000 ] - [ -0.0010035900000000, -0.0002308400000000, 0.0032673300000000 ] - [ 0.0015181500000000, 0.0005640300000000, 0.0017088800000000 ] - [ -0.0017073800000000, 0.0024045200000000, -0.0028582600000000 ] - [ -0.0036112400000000, 0.0052884300000000, -0.0066553000000000 ] - [ -0.0011718400000000, 0.0020018600000000, -0.0030488400000000 ] - [ 0.0003032200000000, -0.0004878700000000, -0.0006154700000000 ] - [ -0.0009608300000000, -0.0009831400000000, 0.0010083300000000 ] - [ 0.0003301700000000, 0.0000722700000000, -0.0003083000000000 ] - [ 0.0007108300000000, -0.0003136400000000, -0.0006754700000000 ] - [ 0.0008998900000000, 0.0011522800000000, -0.0028112200000000 ] - [ 0.0003053200000000, -0.0012718700000000, 0.0004669500000000 ] - [ -0.0001255800000000, -0.0010987600000000, -0.0003667700000000 ] - [ 0.0000700700000000, -0.0001847200000000, 0.0005107700000000 ] - [ 0.0000166200000000, 0.0000881300000000, 0.0008818900000000 ] - [ -0.0004934600000000, -0.0010025000000000, 0.0007121800000000 ] - [ -0.0002868900000000, -0.0001914200000000, 0.0004899000000000 ] - [ -0.0036889300000000, 0.0017426300000000, 0.0090928300000000 ] - [ 0.0003523200000000, 0.0001509800000000, 0.0003198800000000 ] - [ -0.0012911100000000, 0.0247407800000000, -0.0450971100000000 ] - [ 0.0002582900000000, 0.0003199800000000, -0.0005811500000000 ] - [ -0.0197098400000000, 0.0347088500000000, -0.0645942900000000 ] - [ -0.0012085100000000, 0.0006141400000000, -0.0022049400000000 ] - [ 0.0034689800000000, -0.0005367100000000, 0.0067450500000000 ] - [ -0.0121719600000000, -0.0029413900000000, 0.0011751000000000 ] - [ -0.0007691100000000, -0.0011341500000000, 0.0016330200000000 ] - [ 0.0085371400000000, -0.0019520400000000, -0.0014028700000000 ] - [ 0.0000107800000000, -0.0005720900000000, 0.0003914800000000 ] - [ 0.0003687400000000, -0.0006556300000000, 0.0009264400000000 ] - [ 0.0042330100000000, 0.0041162300000000, 0.0130429100000000 ] - [ -0.0006809100000000, -0.0007409300000000, 0.0023488500000000 ] - [ -0.0006164900000000, -0.0003887800000000, -0.0026848700000000 ] - [ 0.0029956400000000, 0.0000296000000000, -0.0032986900000000 ] - [ -0.0211078000000000, 0.0131097800000000, -0.0056620500000000 ] - [ 0.0048204700000000, 0.0011291500000000, 0.0015428300000000 ] - [ -0.0004525900000000, -0.0003194900000000, -0.0001956500000000 ] - [ 0.0000609600000000, -0.0007189300000000, -0.0003801700000000 ] - [ -0.0004278300000000, -0.0004871400000000, -0.0000145300000000 ] - [ 0.0006626700000000, -0.0063940500000000, -0.0010263000000000 ] - [ 0.0377611300000000, -0.1285967900000000, 0.1578230500000000 ] - [ -0.0002851100000000, -0.0006801100000000, 0.0009906100000000 ] - [ 0.0002699500000000, 0.0005195000000000, 0.0004140700000000 ] - [ -0.0000214200000000, -0.0000028400000000, 0.0001956300000000 ] - [ 0.0008882500000000, 0.0000745900000000, -0.0015259000000000 ] - [ -0.0016794600000000, 0.0000513300000000, -0.0017434400000000 ] - [ 0.0091554800000000, 0.0059870700000000, 0.0068663900000000 ] - [ -0.0017358800000000, -0.0002484300000000, 0.0015888400000000 ] - [ 0.0004561300000000, -0.0210473200000000, 0.0032624800000000 ] - [ 0.0003628100000000, 0.0004160800000000, 0.0010264800000000 ] - [ -0.0002446900000000, 0.0007865500000000, 0.0001238200000000 ] - [ -0.0014952600000000, 0.0017687600000000, 0.0013614300000000 ] - [ -0.0009232800000000, 0.0003488000000000, 0.0007013600000000 ] - [ -0.0010015200000000, -0.0001730300000000, 0.0004560000000000 ] - [ 0.0000596400000000, 0.0000764700000000, -0.0001330400000000 ] - [ -0.0000618000000000, 0.0000984000000000, -0.0002186600000000 ] - [ 0.0001236500000000, 0.0006763300000000, 0.0001864200000000 ] - [ 0.0003602200000000, 0.0003708200000000, 0.0006386800000000 ] - [ 0.0001624700000000, 0.0011119500000000, -0.0034221200000000 ] - [ 0.0002249900000000, 0.0004579200000000, -0.0006736400000000 ] - [ 0.0005288800000000, 0.0034592100000000, 0.0071016600000000 ] - [ -0.0001220600000000, -0.0003362300000000, 0.0012163100000000 ] - [ 0.0004964100000000, -0.0021155900000000, -0.0080742300000000 ] - [ -0.0019685400000000, -0.0002775000000000, -0.0023505000000000 ] - [ 0.0000556400000000, 0.0003735100000000, 0.0006064600000000 ] - [ 0.0009640300000000, -0.0011182900000000, 0.0017224000000000 ] - [ 0.0074480500000000, 0.0237518400000000, -0.0421088300000000 ] - [ -0.0013191200000000, -0.0003338500000000, -0.0013436300000000 ] - [ -0.0013638100000000, 0.0023706100000000, -0.0017872400000000 ] - [ 0.0016923000000000, 0.0037466800000000, -0.0004849400000000 ] - [ -0.0000957700000000, -0.0035450500000000, -0.0046358600000000 ] - [ -0.0002851500000000, -0.0003800200000000, -0.0009409700000000 ] - [ -0.0003642500000000, 0.0004134500000000, -0.0003345700000000 ] - [ -0.0003384500000000, 0.0002041800000000, -0.0001592600000000 ] - [ 0.0000586700000000, 0.0004838400000000, -0.0001215200000000 ] - [ 0.0001114800000000, 0.0003904200000000, -0.0003025800000000 ] - [ -0.0003230800000000, 0.0005381200000000, 0.0004191600000000 ] - [ 0.0004721300000000, 0.0003033500000000, 0.0007706600000000 ] - [ -0.0041357600000000, 0.0344891600000000, -0.0230639700000000 ] - [ 0.0003091100000000, 0.0000668800000000, -0.0003001400000000 ]- atom: 51 displacement: [ 0.0099999932521795, 0.0000000000000000, -0.0000116170720741 ] forces: - [ 0.0053893000000000, 0.0010168100000000, -0.0016164300000000 ] - [ -0.0041798700000000, -0.0001453900000000, -0.0005787300000000 ] - [ -0.0007928500000000, 0.0015143100000000, -0.0006291900000000 ] - [ 0.0014866700000000, -0.0010540300000000, -0.0001798400000000 ] - [ 0.0018972600000000, -0.0004928900000000, 0.0000797800000000 ] - [ -0.0014415300000000, -0.0000931200000000, 0.0000278100000000 ] - [ -0.0092633600000000, 0.0021823000000000, 0.0067708800000000 ] - [ 0.0231743100000000, 0.0102266100000000, 0.0087272500000000 ] - [ -0.0009509100000000, 0.0003663800000000, 0.0006198700000000 ] - [ 0.0007641500000000, -0.0009518400000000, -0.0000514900000000 ] - [ -0.0002618900000000, 0.0011036500000000, 0.0007401500000000 ] - [ -0.0015517100000000, -0.0000923000000000, 0.0005341800000000 ] - [ 0.0007168300000000, 0.0000528600000000, 0.0003669800000000 ] - [ -0.0008606300000000, -0.0002978500000000, 0.0001571200000000 ] - [ 0.0028989400000000, 0.0001978100000000, -0.0004635900000000 ] - [ -0.0038235200000000, 0.0006923400000000, -0.0001819400000000 ] - [ -0.0057565700000000, -0.0053297500000000, -0.0104575000000000 ] - [ 0.0039976900000000, 0.0004126600000000, 0.0040070000000000 ] - [ -0.0040490700000000, -0.0016438100000000, -0.0018960800000000 ] - [ -0.0034408800000000, -0.0002117200000000, 0.0068034500000000 ] - [ -0.0025446500000000, -0.0025842400000000, 0.0009003800000000 ] - [ -0.0034229900000000, 0.0026625000000000, -0.0050230900000000 ] - [ -0.0000630900000000, -0.0005218800000000, -0.0001373500000000 ] - [ -0.0006425500000000, 0.0006040800000000, -0.0007417300000000 ] - [ 0.0010024200000000, -0.0003534000000000, -0.0002775100000000 ] - [ -0.0001712100000000, -0.0001297700000000, -0.0003673700000000 ] - [ 0.0412117000000000, -0.0069751700000000, 0.0055538500000000 ] - [ -0.0029426100000000, -0.0003448700000000, -0.0002172900000000 ] - [ 0.0434274800000000, -0.0147868500000000, 0.0203164000000000 ] - [ -0.0075379700000000, 0.0007068800000000, -0.0012725200000000 ] - [ 0.0000167800000000, -0.0008809400000000, -0.0003285800000000 ] - [ -0.0006976500000000, 0.0009125100000000, -0.0000761500000000 ] - [ 0.0000856700000000, 0.0006066500000000, 0.0002705400000000 ] - [ 0.0009328900000000, 0.0001229800000000, -0.0000611700000000 ] - [ -0.0003779700000000, 0.0002567800000000, -0.0005157100000000 ] - [ 0.0003173800000000, -0.0002369100000000, -0.0002348000000000 ] - [ -0.0030473900000000, -0.0010097300000000, -0.0015767700000000 ] - [ 0.0044801100000000, -0.0007136500000000, -0.0008349200000000 ] - [ -0.0005888200000000, -0.0003374000000000, 0.0001744400000000 ] - [ 0.0004642900000000, 0.0003393100000000, -0.0005814200000000 ] - [ 0.0003148700000000, 0.0008733700000000, -0.0003634400000000 ] - [ -0.0007157000000000, -0.0022997000000000, 0.0008700100000000 ] - [ 0.0363270700000000, -0.0215869100000000, 0.0273860500000000 ] - [ 0.0126918200000000, 0.0046156600000000, -0.0018655800000000 ] - [ -0.0013427400000000, 0.0153489400000000, 0.0138803900000000 ] - [ 0.0022506600000000, 0.0004225100000000, -0.0010706600000000 ] - [ -0.0049061500000000, 0.0140832100000000, -0.0037832000000000 ] - [ 0.0029889800000000, -0.0000203800000000, 0.0002856800000000 ] - [ 0.0018141500000000, 0.0007814900000000, -0.0014873000000000 ] - [ 0.0018294800000000, -0.0026444200000000, 0.0046537800000000 ] - [ -0.1438126300000000, 0.0357855700000000, -0.0647923600000000 ] - [ 0.0024804500000000, -0.0004638200000000, 0.0007709900000000 ] - [ -0.0006651400000000, -0.0008713400000000, -0.0000221700000000 ] - [ 0.0000948700000000, 0.0016408600000000, -0.0007999300000000 ] - [ -0.0083966300000000, 0.0016644400000000, -0.0027526400000000 ] - [ 0.0063872400000000, -0.0003793400000000, 0.0015035500000000 ] - [ -0.0000912000000000, -0.0000725300000000, 0.0002527200000000 ] - [ 0.0004113100000000, 0.0008423800000000, 0.0005562300000000 ] - [ 0.0022985300000000, 0.0019558800000000, 0.0018945700000000 ] - [ -0.0008456600000000, -0.0000438600000000, -0.0022811800000000 ] - [ 0.0005619600000000, -0.0002914400000000, -0.0002798900000000 ] - [ -0.0001087700000000, -0.0000691600000000, -0.0004590400000000 ] - [ 0.0002978300000000, -0.0000852000000000, -0.0000412600000000 ] - [ -0.0000330100000000, -0.0001933600000000, 0.0004937800000000 ] - [ -0.0069936200000000, -0.0040319700000000, -0.0000568200000000 ] - [ 0.0031060200000000, -0.0002008000000000, 0.0007948500000000 ] - [ 0.0001524700000000, 0.0001448400000000, -0.0000704200000000 ] - [ -0.0003087700000000, -0.0004234600000000, 0.0000990100000000 ] - [ -0.0007784400000000, 0.0005630500000000, 0.0001310600000000 ] - [ 0.0001615800000000, 0.0004128300000000, 0.0005975700000000 ] - [ 0.0010811400000000, 0.0010990600000000, 0.0007803600000000 ] - [ -0.0005967200000000, -0.0009507800000000, -0.0023271000000000 ] - [ -0.0019999700000000, -0.0003173800000000, 0.0033009700000000 ] - [ 0.0007532800000000, -0.0001378900000000, 0.0031330900000000 ] - [ -0.0006418400000000, -0.0001453600000000, 0.0004444900000000 ] - [ 0.0011510900000000, 0.0002379100000000, 0.0004053700000000 ] - [ -0.0006376700000000, 0.0000597800000000, -0.0002049200000000 ] - [ 0.0006543400000000, 0.0001588300000000, 0.0000873900000000 ] - [ 0.0018275300000000, 0.0008630300000000, -0.0002395500000000 ] - [ 0.0193838400000000, -0.0311144400000000, -0.0071733500000000 ]- atom: 51 displacement: [ -0.0099999932521795, 0.0000000000000000, 0.0000116170720741 ] forces: - [ -0.0058530400000000, -0.0010136300000000, 0.0016286700000000 ] - [ 0.0036693000000000, 0.0001558600000000, 0.0006004000000000 ] - [ 0.0012832600000000, -0.0015386500000000, 0.0005896400000000 ] - [ -0.0009669500000000, 0.0010401800000000, 0.0001373000000000 ] - [ -0.0023793400000000, 0.0004733600000000, -0.0000461300000000 ] - [ 0.0009380500000000, 0.0000922700000000, 0.0000079600000000 ] - [ 0.0097832800000000, -0.0021886700000000, -0.0068351400000000 ] - [ -0.0219870900000000, -0.0096075400000000, -0.0079271500000000 ] - [ 0.0004374800000000, -0.0002046900000000, -0.0000463700000000 ] - [ -0.0012631000000000, 0.0011031000000000, 0.0006241300000000 ] - [ 0.0005327500000000, -0.0011052400000000, -0.0004452900000000 ] - [ 0.0018330800000000, 0.0000188900000000, -0.0002466700000000 ] - [ -0.0005003800000000, 0.0000333700000000, 0.0003178300000000 ] - [ 0.0010754900000000, 0.0003715700000000, 0.0005315200000000 ] - [ -0.0026889500000000, -0.0001351500000000, 0.0006754300000000 ] - [ 0.0040894600000000, -0.0006500100000000, 0.0004717000000000 ] - [ 0.0052305900000000, 0.0052079000000000, 0.0110276700000000 ] - [ -0.0043873200000000, -0.0005637100000000, -0.0034243800000000 ] - [ 0.0037446100000000, 0.0017452200000000, 0.0012011400000000 ] - [ 0.0032416700000000, 0.0002883600000000, -0.0075006200000000 ] - [ 0.0021796300000000, 0.0025592200000000, -0.0011708200000000 ] - [ 0.0031481800000000, -0.0027043300000000, 0.0047799500000000 ] - [ -0.0001580800000000, 0.0004286900000000, -0.0005502500000000 ] - [ 0.0004270200000000, -0.0006907900000000, 0.0000521000000000 ] - [ -0.0004885900000000, 0.0001782700000000, -0.0002905700000000 ] - [ 0.0006769000000000, -0.0000461000000000, -0.0002013900000000 ] - [ -0.0406417300000000, 0.0075792500000000, -0.0057054400000000 ] - [ 0.0034482500000000, 0.0005295100000000, -0.0003495900000000 ] - [ -0.0430373800000000, 0.0156367700000000, -0.0200666200000000 ] - [ 0.0077126500000000, -0.0007655000000000, 0.0019373100000000 ] - [ -0.0003018500000000, 0.0009191100000000, 0.0000440800000000 ] - [ 0.0004167300000000, -0.0008644700000000, -0.0002095500000000 ] - [ 0.0009284800000000, -0.0002581100000000, -0.0003364500000000 ] - [ 0.0000815500000000, 0.0002227300000000, -0.0000051000000000 ] - [ 0.0001780200000000, -0.0005313400000000, -0.0001651100000000 ] - [ -0.0005179600000000, -0.0000417300000000, -0.0004442000000000 ] - [ 0.0026810800000000, 0.0007373100000000, 0.0012103200000000 ] - [ -0.0048266300000000, 0.0004404800000000, 0.0004509400000000 ] - [ 0.0002368400000000, 0.0005945900000000, -0.0005715100000000 ] - [ -0.0008129700000000, -0.0000761400000000, 0.0001777000000000 ] - [ -0.0007289700000000, -0.0009096300000000, -0.0002189700000000 ] - [ 0.0002673800000000, 0.0022498400000000, -0.0014511600000000 ] - [ -0.0366440800000000, 0.0218003800000000, -0.0271644900000000 ] - [ -0.0122519500000000, -0.0047636000000000, 0.0024164200000000 ] - [ 0.0013425800000000, -0.0150153000000000, -0.0145347100000000 ] - [ -0.0024548100000000, -0.0001447800000000, 0.0003928400000000 ] - [ 0.0060361800000000, -0.0142509700000000, 0.0036661600000000 ] - [ -0.0019751700000000, -0.0003277400000000, -0.0003580800000000 ] - [ -0.0014648200000000, -0.0005594400000000, 0.0018939400000000 ] - [ -0.0014354900000000, 0.0028274600000000, -0.0042011300000000 ] - [ 0.1420037000000000, -0.0385601600000000, 0.0650308700000000 ] - [ -0.0031208600000000, -0.0002553200000000, -0.0001430600000000 ] - [ -0.0003322800000000, 0.0005235900000000, 0.0000851500000000 ] - [ -0.0011152500000000, -0.0019678700000000, 0.0008578300000000 ] - [ 0.0084947600000000, -0.0020337200000000, 0.0032484500000000 ] - [ -0.0062712400000000, 0.0001574200000000, -0.0013225000000000 ] - [ 0.0002973100000000, 0.0003548300000000, 0.0004248400000000 ] - [ -0.0002101900000000, -0.0005498300000000, 0.0001240800000000 ] - [ -0.0016266200000000, -0.0012770100000000, -0.0025046800000000 ] - [ 0.0014746600000000, 0.0007358200000000, 0.0016534500000000 ] - [ 0.0000907800000000, -0.0003995800000000, -0.0003449500000000 ] - [ 0.0007548200000000, -0.0006197600000000, -0.0001691900000000 ] - [ 0.0000570400000000, -0.0001596300000000, 0.0004405300000000 ] - [ 0.0003816000000000, -0.0000563700000000, -0.0000917800000000 ] - [ 0.0074553200000000, 0.0038581200000000, 0.0006136500000000 ] - [ -0.0026593600000000, 0.0001678500000000, -0.0002179000000000 ] - [ -0.0002480200000000, -0.0003510800000000, -0.0001255100000000 ] - [ 0.0002081900000000, 0.0002142300000000, -0.0002938800000000 ] - [ 0.0001268100000000, 0.0001380000000000, 0.0004930900000000 ] - [ -0.0008090700000000, 0.0002926100000000, 0.0000282300000000 ] - [ -0.0014932300000000, -0.0010412200000000, -0.0013404400000000 ] - [ 0.0001506900000000, 0.0010017600000000, 0.0017472400000000 ] - [ 0.0010090000000000, 0.0006620800000000, -0.0032417600000000 ] - [ -0.0017805100000000, 0.0004782500000000, -0.0030238400000000 ] - [ 0.0010844100000000, 0.0001658900000000, 0.0001563200000000 ] - [ -0.0007056500000000, -0.0001807800000000, 0.0001730300000000 ] - [ 0.0007315100000000, 0.0001515400000000, 0.0003988800000000 ] - [ -0.0005498900000000, 0.0000578100000000, 0.0001090500000000 ] - [ -0.0019110900000000, -0.0006712900000000, 0.0000353900000000 ] - [ -0.0193412200000000, 0.0308873600000000, 0.0068311600000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0020875300000000, 0.0060347900000000, 0.0011407700000000 ] - [ 0.0002984800000000, 0.0043851100000000, -0.0000709500000000 ] - [ 0.0016967300000000, -0.0038747000000000, 0.0006073500000000 ] - [ -0.0013183100000000, -0.0052328200000000, 0.0010932400000000 ] - [ 0.0008292700000000, -0.0117309600000000, -0.0029285800000000 ] - [ -0.0003831800000000, -0.0047373000000000, -0.0011958000000000 ] - [ 0.0039893200000000, 0.0066996300000000, -0.0035385900000000 ] - [ 0.0050604500000000, 0.0278282100000000, -0.0002920800000000 ] - [ 0.0006018800000000, -0.0035447000000000, -0.0009903200000000 ] - [ -0.0018912100000000, -0.0044405400000000, -0.0000118700000000 ] - [ 0.0069932000000000, -0.0160713300000000, -0.0030401200000000 ] - [ -0.0012525600000000, -0.0014930500000000, 0.0011251700000000 ] - [ 0.0013120800000000, -0.0020692300000000, -0.0015665000000000 ] - [ -0.0005576400000000, -0.0012651800000000, -0.0002165200000000 ] - [ 0.0041591800000000, -0.0012634100000000, 0.0061952800000000 ] - [ -0.0020542400000000, -0.0006258500000000, 0.0008960000000000 ] - [ 0.0014607600000000, 0.0074288100000000, 0.0063629900000000 ] - [ -0.0042191800000000, 0.0088473000000000, 0.0019269000000000 ] - [ -0.0117174700000000, 0.0021106900000000, -0.0036913000000000 ] - [ 0.0051365500000000, 0.0035858800000000, -0.0135789500000000 ] - [ -0.0155011800000000, 0.0008380500000000, 0.0037624900000000 ] - [ 0.0054590600000000, -0.0038109200000000, 0.0108385300000000 ] - [ -0.0006172200000000, -0.0034028700000000, 0.0004194400000000 ] - [ 0.0005586900000000, -0.0031201000000000, 0.0001586900000000 ] - [ 0.0006600400000000, -0.0035858800000000, 0.0003514200000000 ] - [ 0.0000498800000000, -0.0026789100000000, -0.0000133600000000 ] - [ -0.0004790800000000, 0.1017190500000000, 0.0170908300000000 ] - [ -0.0000420400000000, 0.0054645600000000, 0.0005274200000000 ] - [ -0.0164159300000000, 0.0976083000000000, -0.0327144600000000 ] - [ -0.0018038600000000, 0.0018432100000000, -0.0013871600000000 ] - [ -0.0006056600000000, -0.0028100100000000, 0.0003312000000000 ] - [ 0.0004420100000000, -0.0030520900000000, 0.0003538000000000 ] - [ 0.0002792700000000, 0.0018469100000000, 0.0004294300000000 ] - [ -0.0000310800000000, 0.0012204200000000, 0.0002053600000000 ] - [ -0.0002343300000000, 0.0020818100000000, -0.0011798800000000 ] - [ -0.0005248100000000, 0.0010443700000000, -0.0007715200000000 ] - [ -0.0006561300000000, -0.0051371800000000, 0.0009031000000000 ] - [ 0.0018487600000000, -0.0040500100000000, 0.0014468200000000 ] - [ 0.0003133100000000, 0.0104975700000000, -0.0025172700000000 ] - [ 0.0000351100000000, 0.0025531200000000, -0.0004640900000000 ] - [ 0.0042710000000000, 0.0044453400000000, -0.0013510700000000 ] - [ -0.0007050600000000, 0.0046953800000000, -0.0024055400000000 ] - [ -0.0223598900000000, -0.0028229500000000, -0.0125273400000000 ] - [ 0.0060610900000000, -0.0016580900000000, -0.0000695200000000 ] - [ 0.0155600400000000, 0.0190402700000000, 0.0265382900000000 ] - [ -0.0027100800000000, -0.0014708600000000, 0.0010686600000000 ] - [ 0.0198864300000000, 0.0499332100000000, -0.0152525800000000 ] - [ -0.0022222800000000, -0.0004252200000000, -0.0010073200000000 ] - [ 0.0031473700000000, -0.0042356300000000, -0.0023263600000000 ] - [ -0.0056037600000000, -0.0022601600000000, -0.0058341700000000 ] - [ 0.0378789800000000, -0.4161327000000000, 0.0233366500000000 ] - [ -0.0004311600000000, -0.0049463400000000, 0.0000504800000000 ] - [ -0.0050274100000000, 0.0031104500000000, 0.0013085600000000 ] - [ 0.0011117200000000, 0.0020728700000000, -0.0002841000000000 ] - [ 0.0004337100000000, 0.0034324500000000, -0.0221245500000000 ] - [ 0.0000895900000000, -0.0012622800000000, -0.0007327800000000 ] - [ -0.0005080800000000, 0.0012248200000000, 0.0006636000000000 ] - [ 0.0006489500000000, 0.0014623000000000, 0.0004265000000000 ] - [ 0.0019354600000000, -0.0054306600000000, 0.0000454300000000 ] - [ -0.0000600600000000, -0.0068727600000000, 0.0008588100000000 ] - [ 0.0002691300000000, 0.0032510200000000, -0.0002223400000000 ] - [ 0.0000542400000000, 0.0036495800000000, -0.0008667900000000 ] - [ 0.0003503800000000, 0.0023846500000000, 0.0000846000000000 ] - [ -0.0001632400000000, 0.0027419600000000, 0.0005331900000000 ] - [ -0.0062568800000000, 0.0886311600000000, 0.0038632300000000 ] - [ 0.0007953100000000, 0.0001597000000000, 0.0003152800000000 ] - [ 0.0004936200000000, 0.0011536900000000, -0.0002796000000000 ] - [ 0.0002265500000000, 0.0014800900000000, -0.0003088800000000 ] - [ -0.0005357200000000, 0.0036049900000000, 0.0003628000000000 ] - [ -0.0003858100000000, 0.0027040100000000, 0.0001371000000000 ] - [ 0.0027108900000000, 0.0021084700000000, 0.0017832800000000 ] - [ -0.0009041800000000, 0.0022845400000000, 0.0030990600000000 ] - [ -0.0012882500000000, -0.0000672500000000, -0.0014852600000000 ] - [ 0.0007996400000000, -0.0004432800000000, 0.0026725200000000 ] - [ 0.0000215700000000, 0.0023055900000000, -0.0004668000000000 ] - [ 0.0006571800000000, 0.0009227500000000, 0.0001868900000000 ] - [ 0.0009056000000000, 0.0036419900000000, 0.0028689500000000 ] - [ 0.0002685900000000, 0.0010182100000000, 0.0004961400000000 ] - [ 0.0039359100000000, -0.0014262800000000, 0.0002125000000000 ] - [ -0.0363175500000000, 0.0323542200000000, 0.0106356200000000 ]- atom: 51 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0026237300000000, -0.0061369800000000, -0.0010770200000000 ] - [ -0.0007989000000000, -0.0044404000000000, 0.0001236400000000 ] - [ -0.0011886600000000, 0.0039058200000000, -0.0006353800000000 ] - [ 0.0017976600000000, 0.0052662900000000, -0.0011074500000000 ] - [ -0.0013574000000000, 0.0118040800000000, 0.0029832200000000 ] - [ -0.0001135200000000, 0.0047712300000000, 0.0012467900000000 ] - [ -0.0035446400000000, -0.0066912400000000, 0.0035234500000000 ] - [ -0.0040625200000000, -0.0276154400000000, 0.0006927000000000 ] - [ -0.0011027500000000, 0.0037271700000000, 0.0015478700000000 ] - [ 0.0013617000000000, 0.0046398900000000, 0.0005832400000000 ] - [ -0.0067020700000000, 0.0160708300000000, 0.0033136600000000 ] - [ 0.0015480900000000, 0.0014759300000000, -0.0008421300000000 ] - [ -0.0010937700000000, 0.0021778100000000, 0.0022413600000000 ] - [ 0.0007807800000000, 0.0013658300000000, 0.0009072900000000 ] - [ -0.0039115500000000, 0.0013572600000000, -0.0059355400000000 ] - [ 0.0023667900000000, 0.0006940300000000, -0.0006232200000000 ] - [ -0.0019947200000000, -0.0076874200000000, -0.0058663700000000 ] - [ 0.0037146200000000, -0.0090776800000000, -0.0013862700000000 ] - [ 0.0115753200000000, -0.0020404700000000, 0.0030233300000000 ] - [ -0.0053780000000000, -0.0035589200000000, 0.0130013300000000 ] - [ 0.0153446000000000, -0.0009340500000000, -0.0040846000000000 ] - [ -0.0057777900000000, 0.0037505800000000, -0.0112414800000000 ] - [ 0.0004079900000000, 0.0033365500000000, -0.0011188800000000 ] - [ -0.0007831400000000, 0.0030514600000000, -0.0008566500000000 ] - [ -0.0001577600000000, 0.0034334000000000, -0.0009308800000000 ] - [ 0.0004598200000000, 0.0025253200000000, -0.0005602400000000 ] - [ 0.0009277700000000, -0.1123269600000000, -0.0206803800000000 ] - [ 0.0005523800000000, -0.0053437400000000, -0.0011075800000000 ] - [ 0.0141127900000000, -0.0924193200000000, 0.0291515400000000 ] - [ 0.0020568400000000, -0.0019467900000000, 0.0020986500000000 ] - [ 0.0003276500000000, 0.0028653900000000, -0.0006208500000000 ] - [ -0.0007295100000000, 0.0031071200000000, -0.0006391100000000 ] - [ 0.0007347100000000, -0.0015057100000000, -0.0004998800000000 ] - [ 0.0010493000000000, -0.0008781900000000, -0.0002757100000000 ] - [ 0.0000338300000000, -0.0023804400000000, 0.0005130300000000 ] - [ 0.0003279200000000, -0.0013329400000000, 0.0000981700000000 ] - [ 0.0003257300000000, 0.0048493900000000, -0.0014079000000000 ] - [ -0.0022148300000000, 0.0038319300000000, -0.0018572800000000 ] - [ -0.0006642600000000, -0.0102291600000000, 0.0020995600000000 ] - [ -0.0003926600000000, -0.0023211900000000, 0.0000681000000000 ] - [ -0.0047610100000000, -0.0045264800000000, 0.0007811300000000 ] - [ 0.0002798900000000, -0.0047556400000000, 0.0018519200000000 ] - [ 0.0227275800000000, 0.0023711700000000, 0.0132931300000000 ] - [ -0.0059038800000000, 0.0013529200000000, 0.0007550900000000 ] - [ -0.0159259300000000, -0.0189604300000000, -0.0276207200000000 ] - [ 0.0025410800000000, 0.0017719200000000, -0.0017665300000000 ] - [ -0.0192784000000000, -0.0513514200000000, 0.0155641700000000 ] - [ 0.0032583800000000, 0.0000888000000000, 0.0009589800000000 ] - [ -0.0027984500000000, 0.0045303700000000, 0.0027382500000000 ] - [ 0.0059831900000000, 0.0025660500000000, 0.0062624500000000 ] - [ -0.0365571300000000, 0.4208273400000000, -0.0154315300000000 ] - [ -0.0002220400000000, 0.0042871300000000, 0.0005748900000000 ] - [ 0.0039828100000000, -0.0034538300000000, -0.0012395100000000 ] - [ -0.0021164900000000, -0.0024530300000000, 0.0003606700000000 ] - [ -0.0003279300000000, -0.0037487000000000, 0.0223168400000000 ] - [ 0.0000071100000000, 0.0010608800000000, 0.0009357500000000 ] - [ 0.0007104400000000, -0.0009541400000000, 0.0000224500000000 ] - [ -0.0004462100000000, -0.0011998700000000, 0.0002528900000000 ] - [ -0.0012987300000000, 0.0061784900000000, -0.0006746000000000 ] - [ 0.0007162300000000, 0.0076328800000000, -0.0014914300000000 ] - [ 0.0003768400000000, -0.0039660900000000, -0.0004020900000000 ] - [ 0.0006057100000000, -0.0043710500000000, 0.0002464100000000 ] - [ -0.0000035600000000, -0.0026535100000000, 0.0003129600000000 ] - [ 0.0005247000000000, -0.0030091200000000, -0.0001434000000000 ] - [ 0.0065606700000000, -0.0866094600000000, -0.0034087300000000 ] - [ -0.0003627700000000, -0.0002288000000000, 0.0002618800000000 ] - [ -0.0005979400000000, -0.0013702100000000, 0.0000889100000000 ] - [ -0.0003258000000000, -0.0016987700000000, 0.0001167400000000 ] - [ -0.0001105800000000, -0.0029293200000000, 0.0002688400000000 ] - [ -0.0002649900000000, -0.0020241300000000, 0.0004893800000000 ] - [ -0.0031736400000000, -0.0020693200000000, -0.0023759800000000 ] - [ 0.0004612200000000, -0.0022406600000000, -0.0037086500000000 ] - [ 0.0002848500000000, 0.0004064900000000, 0.0015694500000000 ] - [ -0.0018245200000000, 0.0007940900000000, -0.0026345300000000 ] - [ 0.0004199600000000, -0.0023070700000000, 0.0010593900000000 ] - [ -0.0002248800000000, -0.0008978400000000, 0.0003919400000000 ] - [ -0.0008002600000000, -0.0034354400000000, -0.0026534000000000 ] - [ -0.0001788100000000, -0.0008186500000000, -0.0002999600000000 ] - [ -0.0040667900000000, 0.0016510700000000, -0.0004101200000000 ] - [ 0.0369159600000000, -0.0326269200000000, -0.0110754300000000 ]- atom: 51 displacement: [ -0.0001950079929100, 0.0000000000000000, 0.0099980984133335 ] forces: - [ 0.0018477000000000, 0.0027702400000000, -0.0104234100000000 ] - [ -0.0019029100000000, 0.0012535200000000, -0.0032206200000000 ] - [ -0.0003907000000000, 0.0009595800000000, -0.0001067600000000 ] - [ 0.0012326800000000, 0.0008056200000000, 0.0005166600000000 ] - [ -0.0004286900000000, -0.0002662300000000, 0.0012892800000000 ] - [ -0.0003361200000000, -0.0003038500000000, 0.0005431800000000 ] - [ 0.0031218100000000, -0.0019756600000000, 0.0029135100000000 ] - [ 0.0109701100000000, 0.0072015800000000, 0.0142186500000000 ] - [ -0.0006107000000000, 0.0000252300000000, 0.0001565700000000 ] - [ 0.0003749900000000, -0.0010299100000000, -0.0002324400000000 ] - [ 0.0009742800000000, 0.0000610500000000, -0.0006185500000000 ] - [ -0.0012706200000000, -0.0002713900000000, 0.0005302800000000 ] - [ 0.0001303400000000, 0.0006182000000000, -0.0005590900000000 ] - [ -0.0005347500000000, -0.0002221600000000, -0.0000231800000000 ] - [ -0.0044532600000000, -0.0026519200000000, -0.0118151200000000 ] - [ -0.0013433200000000, -0.0003555800000000, -0.0018939800000000 ] - [ -0.0032368400000000, -0.0016054700000000, -0.0057324700000000 ] - [ 0.0105562200000000, 0.0010778700000000, -0.0036010500000000 ] - [ -0.0094164400000000, 0.0004190600000000, -0.0008223100000000 ] - [ 0.0018239200000000, -0.0015915600000000, -0.0016412800000000 ] - [ 0.0033383900000000, -0.0005931000000000, 0.0009214600000000 ] - [ -0.0006825600000000, 0.0016894800000000, 0.0058446400000000 ] - [ -0.0000367600000000, 0.0003484300000000, -0.0009165400000000 ] - [ -0.0001638700000000, -0.0001871300000000, -0.0006816000000000 ] - [ 0.0005074300000000, -0.0003182200000000, -0.0008876700000000 ] - [ 0.0001104500000000, -0.0002701500000000, -0.0004674300000000 ] - [ 0.0078118800000000, 0.0076347400000000, 0.0509214700000000 ] - [ -0.0002796700000000, 0.0002270100000000, 0.0003163900000000 ] - [ 0.0163604400000000, -0.0208956300000000, 0.0634445300000000 ] - [ 0.0005951200000000, 0.0004540300000000, 0.0020844600000000 ] - [ -0.0001432900000000, -0.0014962900000000, -0.0004389600000000 ] - [ -0.0000334900000000, -0.0005328500000000, -0.0001957300000000 ] - [ 0.0001703500000000, 0.0008523900000000, 0.0005123700000000 ] - [ 0.0005682000000000, 0.0003932000000000, 0.0000163700000000 ] - [ -0.0000980600000000, -0.0002623400000000, -0.0000187400000000 ] - [ -0.0000251900000000, -0.0000995200000000, -0.0002310700000000 ] - [ -0.0015108000000000, 0.0064822000000000, 0.0147669400000000 ] - [ 0.0020518600000000, -0.0014257600000000, 0.0017921900000000 ] - [ -0.0004151900000000, 0.0006758100000000, -0.0004580000000000 ] - [ 0.0002856600000000, 0.0004026600000000, -0.0006510100000000 ] - [ -0.0014952500000000, -0.0008347500000000, -0.0001185200000000 ] - [ -0.0001734000000000, 0.0003281200000000, -0.0013650800000000 ] - [ 0.0234178700000000, -0.0120563900000000, 0.0066553900000000 ] - [ -0.0056482000000000, -0.0024787200000000, -0.0002316600000000 ] - [ 0.0140072000000000, 0.0285578300000000, 0.0203924600000000 ] - [ -0.0005122900000000, 0.0003201100000000, -0.0003563000000000 ] - [ -0.0056944500000000, -0.0192322700000000, -0.0035952600000000 ] - [ 0.0006285100000000, -0.0000611100000000, -0.0011433300000000 ] - [ -0.0011281700000000, -0.0002919000000000, 0.0008951000000000 ] - [ 0.0039269100000000, -0.0049324700000000, 0.0038852200000000 ] - [ -0.0622328500000000, 0.0166418700000000, -0.1839330000000000 ] - [ 0.0000798200000000, -0.0006158400000000, -0.0007326700000000 ] - [ -0.0005757900000000, -0.0003382000000000, -0.0002045300000000 ] - [ 0.0002189800000000, 0.0016771000000000, -0.0009326200000000 ] - [ 0.0005605800000000, -0.0220372700000000, 0.0413272100000000 ] - [ 0.0022388200000000, -0.0003562600000000, 0.0017151200000000 ] - [ 0.0003263100000000, -0.0000200700000000, 0.0006057500000000 ] - [ 0.0003021100000000, 0.0006752300000000, 0.0006994300000000 ] - [ 0.0024948300000000, 0.0006756200000000, 0.0020313300000000 ] - [ -0.0016093300000000, 0.0015136500000000, 0.0018042000000000 ] - [ 0.0003529700000000, -0.0004355100000000, -0.0002528500000000 ] - [ 0.0001872800000000, 0.0002087700000000, -0.0002289100000000 ] - [ 0.0002342100000000, 0.0001623500000000, -0.0000674100000000 ] - [ 0.0003323100000000, 0.0000732400000000, -0.0000892300000000 ] - [ -0.0006422600000000, 0.0060049900000000, -0.0072002100000000 ] - [ 0.0006152400000000, -0.0003391900000000, -0.0012432200000000 ] - [ 0.0000385700000000, 0.0001688000000000, 0.0003665100000000 ] - [ -0.0001154800000000, 0.0000521700000000, 0.0001085700000000 ] - [ -0.0004972900000000, 0.0003046900000000, 0.0004210000000000 ] - [ -0.0000483900000000, 0.0005276100000000, 0.0005162100000000 ] - [ 0.0027813600000000, 0.0017124100000000, 0.0018453400000000 ] - [ -0.0003508000000000, 0.0006028400000000, 0.0005576500000000 ] - [ -0.0003596700000000, 0.0000892000000000, 0.0028177700000000 ] - [ -0.0017888900000000, -0.0006844500000000, 0.0051106800000000 ] - [ 0.0003611700000000, -0.0031302500000000, 0.0033862900000000 ] - [ 0.0006012000000000, 0.0000465700000000, 0.0006572000000000 ] - [ -0.0005396300000000, 0.0002186000000000, 0.0004721800000000 ] - [ 0.0004326900000000, 0.0001652700000000, 0.0001963000000000 ] - [ 0.0009252900000000, 0.0004774000000000, -0.0016978900000000 ] - [ -0.0071707100000000, 0.0086430200000000, -0.0082261500000000 ]- atom: 51 displacement: [ 0.0001950079929100, 0.0000000000000000, -0.0099980984133335 ] forces: - [ -0.0023299700000000, -0.0027219000000000, 0.0104532100000000 ] - [ 0.0013895400000000, -0.0012501200000000, 0.0032499300000000 ] - [ 0.0008899700000000, -0.0009752400000000, 0.0000607900000000 ] - [ -0.0007365200000000, -0.0008365500000000, -0.0005678000000000 ] - [ -0.0000688000000000, 0.0002397700000000, -0.0012620400000000 ] - [ -0.0001638900000000, 0.0002959500000000, -0.0005086100000000 ] - [ -0.0026377700000000, 0.0020054800000000, -0.0029078500000000 ] - [ -0.0097570800000000, -0.0067020800000000, -0.0138381800000000 ] - [ 0.0000994600000000, 0.0001369000000000, 0.0004197000000000 ] - [ -0.0008776800000000, 0.0011796000000000, 0.0008055700000000 ] - [ -0.0007031400000000, -0.0000760500000000, 0.0009067400000000 ] - [ 0.0015446100000000, 0.0002136700000000, -0.0002384000000000 ] - [ 0.0000942800000000, -0.0005485600000000, 0.0012595900000000 ] - [ 0.0007453500000000, 0.0002978900000000, 0.0007117300000000 ] - [ 0.0047981600000000, 0.0026726200000000, 0.0121081800000000 ] - [ 0.0016108000000000, 0.0004066000000000, 0.0021660800000000 ] - [ 0.0027188900000000, 0.0014236100000000, 0.0062511900000000 ] - [ -0.0111068800000000, -0.0012245300000000, 0.0041555200000000 ] - [ 0.0091770400000000, -0.0003624100000000, 0.0001085400000000 ] - [ -0.0020245400000000, 0.0017035300000000, 0.0008625500000000 ] - [ -0.0036935100000000, 0.0005285100000000, -0.0011859000000000 ] - [ 0.0004219600000000, -0.0017348400000000, -0.0060320000000000 ] - [ -0.0001840000000000, -0.0004424200000000, 0.0002306300000000 ] - [ -0.0000519900000000, 0.0000927200000000, -0.0000049700000000 ] - [ 0.0000016100000000, 0.0001397200000000, 0.0003243700000000 ] - [ 0.0003968800000000, 0.0000943200000000, -0.0001005300000000 ] - [ -0.0072113300000000, -0.0075735500000000, -0.0510937900000000 ] - [ 0.0007814100000000, -0.0000445700000000, -0.0008809400000000 ] - [ -0.0173897500000000, 0.0233771700000000, -0.0637548200000000 ] - [ -0.0003783000000000, -0.0005270400000000, -0.0013815300000000 ] - [ -0.0001385900000000, 0.0015406100000000, 0.0001551700000000 ] - [ -0.0002483700000000, 0.0005741500000000, -0.0000883400000000 ] - [ 0.0008428600000000, -0.0005077700000000, -0.0005788600000000 ] - [ 0.0004443400000000, -0.0000456200000000, -0.0000830400000000 ] - [ -0.0001033900000000, -0.0000098900000000, -0.0006648600000000 ] - [ -0.0001776800000000, -0.0001769700000000, -0.0004488800000000 ] - [ 0.0011410900000000, -0.0066352000000000, -0.0148999400000000 ] - [ -0.0023837600000000, 0.0011565100000000, -0.0021798600000000 ] - [ 0.0000621500000000, -0.0004133600000000, 0.0000601800000000 ] - [ -0.0006348200000000, -0.0001410900000000, 0.0002502500000000 ] - [ 0.0010686800000000, 0.0007994100000000, -0.0004608900000000 ] - [ -0.0002730600000000, -0.0003604500000000, 0.0007688500000000 ] - [ -0.0232591600000000, 0.0118634300000000, -0.0058181600000000 ] - [ 0.0058561900000000, 0.0021864200000000, 0.0009112100000000 ] - [ -0.0143875200000000, -0.0286886900000000, -0.0212421600000000 ] - [ 0.0003013500000000, -0.0000451600000000, -0.0003089600000000 ] - [ 0.0066559300000000, 0.0189412300000000, 0.0034014500000000 ] - [ 0.0003810800000000, -0.0002856600000000, 0.0010625800000000 ] - [ 0.0014823600000000, 0.0005245800000000, -0.0005056700000000 ] - [ -0.0035008500000000, 0.0050941200000000, -0.0034516800000000 ] - [ 0.0624299000000000, -0.0207055000000000, 0.1851543900000000 ] - [ -0.0007237200000000, -0.0000955000000000, 0.0013509100000000 ] - [ -0.0004341600000000, -0.0000102800000000, 0.0002712100000000 ] - [ -0.0012328400000000, -0.0020058800000000, 0.0009904100000000 ] - [ -0.0004091300000000, 0.0223533300000000, -0.0418312300000000 ] - [ -0.0021314600000000, 0.0001410700000000, -0.0015121400000000 ] - [ -0.0001299500000000, 0.0003047900000000, 0.0000688000000000 ] - [ -0.0000984100000000, -0.0003829800000000, -0.0000197500000000 ] - [ -0.0018316100000000, 0.0000187700000000, -0.0026386500000000 ] - [ 0.0022751500000000, -0.0008512900000000, -0.0024326000000000 ] - [ 0.0002976300000000, -0.0002540600000000, -0.0003734800000000 ] - [ 0.0004604600000000, -0.0008938300000000, -0.0003978300000000 ] - [ 0.0001179400000000, -0.0004094500000000, 0.0004685900000000 ] - [ 0.0000183800000000, -0.0003160100000000, 0.0004906800000000 ] - [ 0.0010795600000000, -0.0061459600000000, 0.0077641900000000 ] - [ -0.0001696500000000, 0.0002924400000000, 0.0018123600000000 ] - [ -0.0001365100000000, -0.0003757500000000, -0.0005636900000000 ] - [ 0.0000172400000000, -0.0002566700000000, -0.0003057700000000 ] - [ -0.0001538400000000, 0.0004065100000000, 0.0002018600000000 ] - [ -0.0005997000000000, 0.0001774500000000, 0.0001099900000000 ] - [ -0.0032267100000000, -0.0016623300000000, -0.0024220400000000 ] - [ -0.0000881900000000, -0.0005501000000000, -0.0011091400000000 ] - [ -0.0006853800000000, 0.0002585300000000, -0.0027180600000000 ] - [ 0.0007964700000000, 0.0010300200000000, -0.0050137600000000 ] - [ 0.0000699500000000, 0.0032258700000000, -0.0028231500000000 ] - [ -0.0001570400000000, 0.0000053800000000, -0.0000763500000000 ] - [ 0.0006372500000000, -0.0000081300000000, -0.0002857200000000 ] - [ -0.0003287900000000, 0.0000477900000000, -0.0000013600000000 ] - [ -0.0010076600000000, -0.0002642600000000, 0.0015071400000000 ] - [ 0.0068611900000000, -0.0082327600000000, 0.0081388300000000 ]- atom: 55 displacement: [ 0.0099999932521795, 0.0000000000000000, -0.0000116170720741 ] forces: - [ 0.0061382400000000, 0.0005445700000000, 0.0035927500000000 ] - [ -0.0043527900000000, -0.0005461400000000, 0.0002331200000000 ] - [ -0.0022996200000000, 0.0038023000000000, 0.0004568300000000 ] - [ 0.0025556400000000, -0.0045620000000000, 0.0001066600000000 ] - [ 0.0006288800000000, 0.0008017700000000, -0.0000836500000000 ] - [ -0.0010706100000000, 0.0005538400000000, -0.0000343100000000 ] - [ -0.0057626600000000, -0.0031500600000000, 0.0023195200000000 ] - [ 0.0065891900000000, -0.0002243900000000, -0.0005264000000000 ] - [ -0.0012252000000000, 0.0008755600000000, 0.0001629600000000 ] - [ 0.0012174900000000, 0.0002789500000000, 0.0004003800000000 ] - [ -0.0001989800000000, 0.0023094600000000, 0.0000335300000000 ] - [ -0.0004178100000000, -0.0006550700000000, 0.0000535300000000 ] - [ -0.0010305600000000, 0.0024285500000000, 0.0003432400000000 ] - [ -0.0005504600000000, -0.0005408000000000, 0.0005710600000000 ] - [ 0.0620610300000000, -0.0072410400000000, -0.0011008400000000 ] - [ -0.0138657800000000, -0.0000151800000000, 0.0002669500000000 ] - [ -0.0130356100000000, -0.0071444500000000, -0.0015023200000000 ] - [ 0.0552869600000000, -0.0068812600000000, -0.0009245600000000 ] - [ 0.0000814300000000, -0.0023698100000000, 0.0004337700000000 ] - [ -0.0021090800000000, 0.0074363400000000, -0.0082799700000000 ] - [ 0.0006058700000000, -0.0002866500000000, -0.0000050600000000 ] - [ -0.0009531700000000, 0.0007725200000000, -0.0008930900000000 ] - [ 0.0001573200000000, 0.0001891700000000, -0.0002352200000000 ] - [ -0.0004194600000000, 0.0002743300000000, -0.0001971300000000 ] - [ 0.0005709500000000, 0.0004292800000000, -0.0002967800000000 ] - [ -0.0000251100000000, 0.0004325900000000, -0.0001309500000000 ] - [ 0.0021854000000000, -0.0009772600000000, 0.0002481200000000 ] - [ -0.0012904100000000, -0.0007054300000000, -0.0014060400000000 ] - [ 0.0644890500000000, -0.0067194100000000, -0.0035880700000000 ] - [ -0.0140413900000000, -0.0022858300000000, -0.0003340200000000 ] - [ 0.0003259700000000, 0.0000775100000000, -0.0005968000000000 ] - [ -0.0010494700000000, 0.0016333400000000, 0.0004430600000000 ] - [ 0.0000776400000000, -0.0001201100000000, 0.0001216200000000 ] - [ 0.0011587500000000, -0.0002219700000000, -0.0002403500000000 ] - [ -0.0002977800000000, -0.0003362300000000, -0.0003703800000000 ] - [ 0.0001110700000000, -0.0003071200000000, -0.0003530000000000 ] - [ -0.0105346000000000, 0.0013005000000000, 0.0028151700000000 ] - [ 0.0061564600000000, -0.0008408900000000, -0.0032570000000000 ] - [ -0.0009387500000000, -0.0010480100000000, 0.0005100300000000 ] - [ 0.0005492300000000, 0.0001683000000000, -0.0006478500000000 ] - [ -0.0002887900000000, 0.0000420100000000, -0.0002996400000000 ] - [ -0.0002251600000000, -0.0006497500000000, -0.0001770700000000 ] - [ 0.0382249400000000, 0.0029779500000000, -0.0277484700000000 ] - [ 0.0397813900000000, -0.0008451800000000, 0.0218389500000000 ] - [ -0.0014474200000000, 0.0023687000000000, -0.0010210900000000 ] - [ 0.0032554000000000, -0.0004870000000000, 0.0016153700000000 ] - [ 0.0000300100000000, -0.0003479400000000, -0.0006828600000000 ] - [ 0.0009082100000000, -0.0002409500000000, 0.0003574200000000 ] - [ 0.0001492700000000, 0.0011582100000000, -0.0001601400000000 ] - [ 0.0001716400000000, 0.0002261700000000, -0.0004830900000000 ] - [ -0.0087887900000000, 0.0001055800000000, 0.0004727200000000 ] - [ 0.0060166700000000, -0.0003200600000000, 0.0026307400000000 ] - [ -0.0003297300000000, -0.0008409800000000, -0.0002011100000000 ] - [ -0.0006537200000000, 0.0002284800000000, 0.0002200800000000 ] - [ -0.3059815300000000, 0.0664087100000000, 0.0178879500000000 ] - [ 0.0083481100000000, -0.0003928300000000, -0.0000442000000000 ] - [ -0.0000718300000000, -0.0006145700000000, 0.0003628800000000 ] - [ 0.0001270600000000, 0.0006556100000000, -0.0000204500000000 ] - [ 0.0022007500000000, 0.0043495600000000, 0.0006942000000000 ] - [ 0.0197446900000000, -0.0364776800000000, -0.0069942500000000 ] - [ 0.0005269700000000, -0.0008976700000000, -0.0002207800000000 ] - [ 0.0000621000000000, -0.0006286800000000, -0.0003846700000000 ] - [ 0.0000985200000000, -0.0010257600000000, 0.0000850500000000 ] - [ 0.0001939700000000, -0.0002668300000000, 0.0005656500000000 ] - [ -0.0081930100000000, -0.0028671300000000, -0.0076777800000000 ] - [ 0.0036322700000000, 0.0007743600000000, 0.0016368200000000 ] - [ -0.0000237700000000, -0.0001852200000000, -0.0000805400000000 ] - [ -0.0001952100000000, -0.0005516600000000, -0.0004137600000000 ] - [ -0.0010139300000000, -0.0005129000000000, -0.0002936000000000 ] - [ 0.0002789700000000, 0.0001287900000000, 0.0007050700000000 ] - [ -0.0001128200000000, 0.0006353700000000, 0.0000869000000000 ] - [ -0.0005522400000000, -0.0042560800000000, -0.0007163600000000 ] - [ 0.0340704500000000, -0.0064044300000000, 0.0232949600000000 ] - [ 0.0380230900000000, 0.0074058300000000, -0.0191023200000000 ] - [ -0.0072082800000000, -0.0063531300000000, 0.0042861300000000 ] - [ 0.0041300000000000, 0.0014946100000000, -0.0000037900000000 ] - [ -0.0006148200000000, -0.0012372300000000, 0.0004983400000000 ] - [ 0.0005710100000000, 0.0001861900000000, 0.0000513700000000 ] - [ 0.0006544800000000, 0.0006747800000000, -0.0004415400000000 ] - [ -0.0009761700000000, -0.0005470400000000, 0.0017683900000000 ]- atom: 55 displacement: [ -0.0099999932521795, 0.0000000000000000, 0.0000116170720741 ] forces: - [ -0.0066043400000000, -0.0005827500000000, -0.0035266000000000 ] - [ 0.0038400200000000, 0.0005567600000000, -0.0001903200000000 ] - [ 0.0027667000000000, -0.0038238000000000, -0.0005041000000000 ] - [ -0.0019926500000000, 0.0045106100000000, -0.0001349800000000 ] - [ -0.0011232700000000, -0.0007828200000000, 0.0001213500000000 ] - [ 0.0005682600000000, -0.0005420500000000, 0.0000702400000000 ] - [ 0.0062040800000000, 0.0031546300000000, -0.0023729400000000 ] - [ -0.0059286600000000, 0.0002303300000000, 0.0004949400000000 ] - [ 0.0007007900000000, -0.0007036700000000, 0.0004062300000000 ] - [ -0.0016909200000000, -0.0001042600000000, 0.0001707900000000 ] - [ 0.0004394100000000, -0.0022597500000000, 0.0002267100000000 ] - [ 0.0007097200000000, 0.0005815400000000, 0.0002283200000000 ] - [ 0.0012004700000000, -0.0022727400000000, 0.0003391300000000 ] - [ 0.0007744100000000, 0.0006031400000000, 0.0001331100000000 ] - [ -0.0623065800000000, 0.0078319600000000, -0.0002007400000000 ] - [ 0.0141067500000000, 0.0000817800000000, 0.0000026700000000 ] - [ 0.0124070400000000, 0.0069644400000000, 0.0020622100000000 ] - [ -0.0482418700000000, 0.0045607700000000, 0.0008824700000000 ] - [ -0.0003172300000000, 0.0024554200000000, -0.0011268100000000 ] - [ 0.0018818400000000, -0.0073357700000000, 0.0075660400000000 ] - [ -0.0009032200000000, 0.0002436900000000, -0.0002778300000000 ] - [ 0.0006742200000000, -0.0008166300000000, 0.0005991400000000 ] - [ -0.0003809500000000, -0.0002688600000000, -0.0004561000000000 ] - [ 0.0002032300000000, -0.0003547400000000, -0.0004915600000000 ] - [ -0.0000623600000000, -0.0005865200000000, -0.0002752800000000 ] - [ 0.0005302500000000, -0.0006014300000000, -0.0004362000000000 ] - [ -0.0016679600000000, 0.0010879700000000, -0.0008297300000000 ] - [ 0.0017930300000000, 0.0008985100000000, 0.0008373200000000 ] - [ -0.0649086600000000, 0.0066670100000000, 0.0061300400000000 ] - [ 0.0142154300000000, 0.0022003400000000, 0.0010414700000000 ] - [ -0.0006157100000000, -0.0000244500000000, 0.0003124300000000 ] - [ 0.0007646100000000, -0.0015754700000000, -0.0007249200000000 ] - [ 0.0009389300000000, 0.0004615100000000, -0.0001906500000000 ] - [ -0.0001445200000000, 0.0005638400000000, 0.0001723900000000 ] - [ 0.0000992300000000, 0.0000523300000000, -0.0003077100000000 ] - [ -0.0003149200000000, 0.0000254300000000, -0.0003271100000000 ] - [ 0.0101425900000000, -0.0015004500000000, -0.0029208200000000 ] - [ -0.0064962500000000, 0.0005636600000000, 0.0028284100000000 ] - [ 0.0005800000000000, 0.0012740600000000, -0.0008926800000000 ] - [ -0.0009006600000000, 0.0000893000000000, 0.0002443500000000 ] - [ -0.0001483800000000, -0.0000943200000000, -0.0002777400000000 ] - [ -0.0002197800000000, 0.0005962700000000, -0.0004001700000000 ] - [ -0.0387536300000000, -0.0033045400000000, 0.0289805100000000 ] - [ -0.0388476700000000, 0.0004652900000000, -0.0207401800000000 ] - [ 0.0012556700000000, -0.0020731600000000, 0.0003490000000000 ] - [ -0.0034593600000000, 0.0007646000000000, -0.0022970100000000 ] - [ 0.0009929900000000, 0.0000171100000000, 0.0006076600000000 ] - [ 0.0001014900000000, -0.0001114000000000, -0.0004212900000000 ] - [ 0.0002109100000000, -0.0009130500000000, 0.0005570200000000 ] - [ 0.0001691100000000, 0.0000342300000000, 0.0008743000000000 ] - [ 0.0080944900000000, -0.0007095200000000, -0.0000696900000000 ] - [ -0.0066449500000000, -0.0004048500000000, -0.0019841100000000 ] - [ -0.0006558100000000, 0.0004857100000000, 0.0002696600000000 ] - [ -0.0003800800000000, -0.0005682300000000, -0.0001501700000000 ] - [ 0.2995867000000000, -0.0643968200000000, -0.0172888600000000 ] - [ -0.0082226100000000, 0.0001804700000000, 0.0002369500000000 ] - [ 0.0002993800000000, 0.0008891600000000, 0.0003174300000000 ] - [ 0.0000592100000000, -0.0003680400000000, 0.0006891700000000 ] - [ -0.0015410500000000, -0.0036521100000000, -0.0013165700000000 ] - [ -0.0189812300000000, 0.0367772100000000, 0.0062655300000000 ] - [ 0.0001256500000000, 0.0001943600000000, -0.0004034200000000 ] - [ 0.0005790600000000, -0.0000758300000000, -0.0002418300000000 ] - [ 0.0002549500000000, 0.0007749600000000, 0.0003153900000000 ] - [ 0.0001542000000000, 0.0000144500000000, -0.0001628100000000 ] - [ 0.0086812100000000, 0.0026500100000000, 0.0079149900000000 ] - [ -0.0031723600000000, -0.0007946700000000, -0.0010330900000000 ] - [ -0.0000740000000000, -0.0000262100000000, -0.0001163300000000 ] - [ 0.0000905000000000, 0.0003370500000000, 0.0002157300000000 ] - [ 0.0003556300000000, 0.0011868800000000, 0.0009110400000000 ] - [ -0.0009267800000000, 0.0005753300000000, -0.0000798800000000 ] - [ -0.0003224600000000, -0.0005910700000000, -0.0006630900000000 ] - [ 0.0001033900000000, 0.0042710300000000, 0.0001327900000000 ] - [ -0.0357415400000000, 0.0069378000000000, -0.0236908900000000 ] - [ -0.0383449600000000, -0.0069660900000000, 0.0187492700000000 ] - [ 0.0077086300000000, 0.0060585200000000, -0.0034500000000000 ] - [ -0.0036664000000000, -0.0014060300000000, 0.0005760400000000 ] - [ 0.0006949000000000, 0.0014059200000000, -0.0002911300000000 ] - [ -0.0004674800000000, 0.0000309800000000, 0.0001412800000000 ] - [ -0.0007463000000000, -0.0004716400000000, 0.0002446200000000 ] - [ 0.0008584400000000, 0.0007573700000000, -0.0019528600000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0029571600000000, -0.0046140800000000, -0.0060915000000000 ] - [ 0.0016575400000000, -0.0001480700000000, -0.0014581300000000 ] - [ 0.0023003300000000, -0.0010887600000000, -0.0009197300000000 ] - [ -0.0052011600000000, -0.0072341000000000, -0.0022587500000000 ] - [ 0.0000469100000000, -0.0036053400000000, -0.0002897400000000 ] - [ -0.0002062000000000, -0.0021538300000000, -0.0000712000000000 ] - [ 0.0001581700000000, 0.0028785000000000, 0.0010018300000000 ] - [ 0.0018806200000000, 0.0069628700000000, 0.0005719500000000 ] - [ 0.0005771500000000, -0.0008726000000000, 0.0012813200000000 ] - [ -0.0022233800000000, -0.0012571300000000, 0.0009421900000000 ] - [ 0.0022330800000000, -0.0033066700000000, 0.0015977600000000 ] - [ -0.0004563000000000, 0.0012955700000000, 0.0004647600000000 ] - [ 0.0037245600000000, -0.0072373000000000, 0.0024191800000000 ] - [ -0.0006042100000000, 0.0001184400000000, 0.0001255000000000 ] - [ -0.0093079000000000, 0.0351624600000000, -0.0086876400000000 ] - [ -0.0007510900000000, 0.0010761500000000, -0.0004963100000000 ] - [ 0.0004221800000000, 0.0034559000000000, -0.0013863800000000 ] - [ -0.0081187700000000, 0.0359656000000000, -0.0035808200000000 ] - [ -0.0036483400000000, -0.0003674200000000, -0.0011998800000000 ] - [ 0.0014028700000000, -0.0066865100000000, 0.0065284600000000 ] - [ -0.0014239100000000, -0.0012629700000000, 0.0006198000000000 ] - [ 0.0005662200000000, -0.0019739400000000, 0.0010056400000000 ] - [ 0.0001065900000000, -0.0012052800000000, -0.0003001400000000 ] - [ -0.0000986400000000, -0.0012831400000000, -0.0004193400000000 ] - [ 0.0002836900000000, -0.0029624000000000, -0.0001166800000000 ] - [ 0.0003305600000000, -0.0013865200000000, -0.0004328500000000 ] - [ 0.0002207500000000, -0.0034875000000000, 0.0015539000000000 ] - [ 0.0005154300000000, 0.0013712000000000, 0.0011105800000000 ] - [ -0.0074537300000000, 0.0327332700000000, -0.0018822100000000 ] - [ 0.0012005100000000, 0.0003225900000000, 0.0002756400000000 ] - [ -0.0001453800000000, -0.0017455900000000, -0.0001024600000000 ] - [ 0.0001688600000000, -0.0030996000000000, 0.0001892400000000 ] - [ 0.0002900600000000, 0.0017101800000000, 0.0001378400000000 ] - [ 0.0001800400000000, 0.0011874400000000, 0.0000542900000000 ] - [ -0.0003117500000000, 0.0008099600000000, -0.0005676100000000 ] - [ -0.0001033200000000, 0.0004017200000000, -0.0003764400000000 ] - [ 0.0008097800000000, -0.0071652100000000, 0.0112318100000000 ] - [ 0.0001682800000000, -0.0015120700000000, -0.0009305800000000 ] - [ -0.0001647400000000, 0.0021400500000000, -0.0005242300000000 ] - [ 0.0000000000000000, 0.0007063100000000, 0.0003531000000000 ] - [ 0.0001136200000000, 0.0013362900000000, -0.0004661200000000 ] - [ -0.0000518000000000, 0.0016966800000000, -0.0004914500000000 ] - [ 0.0005347000000000, -0.0065759500000000, 0.0006386400000000 ] - [ -0.0029012400000000, -0.0051327400000000, -0.0011284400000000 ] - [ 0.0026442000000000, 0.0051482200000000, -0.0014622800000000 ] - [ -0.0029812800000000, 0.0007817600000000, -0.0024470100000000 ] - [ 0.0014653700000000, 0.0016420800000000, -0.0005361600000000 ] - [ 0.0003062100000000, 0.0003550100000000, -0.0003708800000000 ] - [ 0.0005705600000000, -0.0006821900000000, 0.0004751200000000 ] - [ -0.0006624000000000, -0.0003076600000000, 0.0008820500000000 ] - [ 0.0014853900000000, 0.0032339000000000, -0.0217379400000000 ] - [ -0.0005982100000000, -0.0015030200000000, 0.0000554500000000 ] - [ -0.0018045000000000, -0.0000226300000000, -0.0002256300000000 ] - [ 0.0003247800000000, -0.0008342500000000, 0.0001148800000000 ] - [ 0.0651098300000000, -0.1425751200000000, 0.0412786100000000 ] - [ -0.0002378700000000, -0.0007332000000000, 0.0008027400000000 ] - [ -0.0025694100000000, 0.0013041100000000, -0.0005752600000000 ] - [ 0.0009591400000000, 0.0004180000000000, -0.0000438000000000 ] - [ 0.0010866800000000, -0.0011826500000000, 0.0000726100000000 ] - [ -0.0303778600000000, 0.0326457400000000, 0.0074195000000000 ] - [ 0.0000761400000000, 0.0009114500000000, -0.0005913500000000 ] - [ 0.0006443500000000, 0.0012402500000000, -0.0004611900000000 ] - [ 0.0002017100000000, 0.0009598100000000, 0.0000270600000000 ] - [ 0.0002664100000000, 0.0025750900000000, 0.0001062900000000 ] - [ -0.0031808800000000, 0.0008595900000000, 0.0244341500000000 ] - [ 0.0000769500000000, -0.0013854000000000, 0.0000535500000000 ] - [ 0.0000293700000000, 0.0005666600000000, 0.0000635600000000 ] - [ 0.0003951400000000, 0.0010253500000000, 0.0000846000000000 ] - [ -0.0002819400000000, 0.0038896800000000, 0.0001963000000000 ] - [ -0.0003744900000000, 0.0012651800000000, 0.0002539100000000 ] - [ 0.0001753300000000, 0.0013822600000000, 0.0001520600000000 ] - [ -0.0001631000000000, 0.0049400700000000, -0.0000902800000000 ] - [ -0.0087233500000000, -0.0046912100000000, -0.0039286100000000 ] - [ 0.0080408100000000, -0.0043476700000000, -0.0027774700000000 ] - [ -0.0069622300000000, 0.0357975100000000, -0.0342843900000000 ] - [ 0.0001401600000000, -0.0007336000000000, 0.0003268400000000 ] - [ 0.0013691500000000, 0.0027508600000000, -0.0026767400000000 ] - [ -0.0000276700000000, -0.0000000200000000, -0.0001193400000000 ] - [ 0.0005189500000000, 0.0000843500000000, -0.0005943200000000 ] - [ -0.0007049200000000, 0.0012552200000000, -0.0018014300000000 ]- atom: 55 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0024480900000000, 0.0045932900000000, 0.0061572100000000 ] - [ -0.0021678900000000, 0.0001287200000000, 0.0015086400000000 ] - [ -0.0017922800000000, 0.0010950500000000, 0.0008779200000000 ] - [ 0.0056602600000000, 0.0071705100000000, 0.0022217200000000 ] - [ -0.0005427800000000, 0.0036120600000000, 0.0003225800000000 ] - [ -0.0002959900000000, 0.0021610200000000, 0.0001089000000000 ] - [ 0.0003325100000000, -0.0028775900000000, -0.0010279700000000 ] - [ -0.0013737800000000, -0.0069573100000000, -0.0005991000000000 ] - [ -0.0010843100000000, 0.0010463700000000, -0.0007006700000000 ] - [ 0.0017146200000000, 0.0014280100000000, -0.0003674400000000 ] - [ -0.0019528500000000, 0.0033211700000000, -0.0013276700000000 ] - [ 0.0007363400000000, -0.0013302800000000, -0.0001792400000000 ] - [ -0.0035006100000000, 0.0073172500000000, -0.0017475300000000 ] - [ 0.0008149200000000, -0.0000272300000000, 0.0005628800000000 ] - [ 0.0093063500000000, -0.0351834100000000, 0.0083627600000000 ] - [ 0.0010626300000000, -0.0010192700000000, 0.0007761100000000 ] - [ -0.0009480600000000, -0.0036495300000000, 0.0019389400000000 ] - [ 0.0081294400000000, -0.0360695900000000, 0.0041444600000000 ] - [ 0.0034660000000000, 0.0004408400000000, 0.0005150500000000 ] - [ -0.0016115700000000, 0.0067617900000000, -0.0072359900000000 ] - [ 0.0011424000000000, 0.0012083700000000, -0.0009108100000000 ] - [ -0.0008503500000000, 0.0019198900000000, -0.0012922700000000 ] - [ -0.0003224400000000, 0.0011207300000000, -0.0003893100000000 ] - [ -0.0001211400000000, 0.0011973300000000, -0.0002705100000000 ] - [ 0.0002235200000000, 0.0027853000000000, -0.0004514400000000 ] - [ 0.0001772600000000, 0.0012191000000000, -0.0001370200000000 ] - [ 0.0002708900000000, 0.0036223100000000, -0.0021474000000000 ] - [ -0.0000059600000000, -0.0012210100000000, -0.0016849500000000 ] - [ 0.0078151000000000, -0.0327713200000000, 0.0023222400000000 ] - [ -0.0009441800000000, -0.0003859100000000, 0.0004199600000000 ] - [ -0.0001359100000000, 0.0017958900000000, -0.0001844200000000 ] - [ -0.0004564000000000, 0.0031437400000000, -0.0004683200000000 ] - [ 0.0007234100000000, -0.0013624000000000, -0.0002062400000000 ] - [ 0.0008367500000000, -0.0008414400000000, -0.0001230400000000 ] - [ 0.0001097700000000, -0.0010883300000000, -0.0001126100000000 ] - [ -0.0000963600000000, -0.0006823000000000, -0.0003021200000000 ] - [ -0.0011693600000000, 0.0069549300000000, -0.0115575400000000 ] - [ -0.0005227400000000, 0.0012713000000000, 0.0005339300000000 ] - [ -0.0001902900000000, -0.0018970000000000, 0.0001296900000000 ] - [ -0.0003475600000000, -0.0004569400000000, -0.0007488200000000 ] - [ -0.0005537100000000, -0.0013820200000000, -0.0001109100000000 ] - [ -0.0003880400000000, -0.0017412100000000, -0.0000862000000000 ] - [ -0.0002311100000000, 0.0062634000000000, -0.0000184300000000 ] - [ 0.0029601900000000, 0.0048713100000000, 0.0017315900000000 ] - [ -0.0028842100000000, -0.0049805300000000, 0.0008283100000000 ] - [ 0.0027907100000000, -0.0004998000000000, 0.0017828100000000 ] - [ -0.0004503300000000, -0.0019810700000000, 0.0004779300000000 ] - [ 0.0007095500000000, -0.0006972000000000, 0.0003045800000000 ] - [ -0.0002186900000000, 0.0009440300000000, -0.0000763000000000 ] - [ 0.0010148700000000, 0.0005650500000000, -0.0004874600000000 ] - [ -0.0021614800000000, -0.0039463700000000, 0.0225833200000000 ] - [ -0.0000613000000000, 0.0008206200000000, 0.0005623400000000 ] - [ 0.0007989700000000, -0.0003370100000000, 0.0002897700000000 ] - [ -0.0013380200000000, 0.0004793600000000, -0.0000507400000000 ] - [ -0.0657200000000000, 0.1426769900000000, -0.0395917900000000 ] - [ 0.0003337900000000, 0.0005250200000000, -0.0006037400000000 ] - [ 0.0027550000000000, -0.0010220300000000, 0.0012489600000000 ] - [ -0.0007534400000000, -0.0001390000000000, 0.0007138700000000 ] - [ -0.0004484100000000, 0.0018954600000000, -0.0006978700000000 ] - [ 0.0316086000000000, -0.0323348100000000, -0.0082515300000000 ] - [ 0.0005727400000000, -0.0016118500000000, -0.0000360800000000 ] - [ 0.0000069600000000, -0.0019379600000000, -0.0001638100000000 ] - [ 0.0001490200000000, -0.0012172700000000, 0.0003722500000000 ] - [ 0.0000852300000000, -0.0028114300000000, 0.0002964000000000 ] - [ 0.0036402300000000, -0.0010813600000000, -0.0237627200000000 ] - [ 0.0003649400000000, 0.0013240200000000, 0.0005210100000000 ] - [ -0.0001298100000000, -0.0007768600000000, -0.0002593500000000 ] - [ -0.0004939200000000, -0.0012332600000000, -0.0002817000000000 ] - [ -0.0003734100000000, -0.0031868700000000, 0.0004200800000000 ] - [ -0.0002732600000000, -0.0005709700000000, 0.0003723000000000 ] - [ -0.0006212200000000, -0.0013326200000000, -0.0007350800000000 ] - [ -0.0002818400000000, -0.0048861700000000, -0.0004892500000000 ] - [ 0.0077649400000000, 0.0049597700000000, 0.0040199200000000 ] - [ -0.0091339700000000, 0.0046509200000000, 0.0028736500000000 ] - [ 0.0072863000000000, -0.0352838800000000, 0.0341658300000000 ] - [ 0.0002995900000000, 0.0007668500000000, 0.0002521100000000 ] - [ -0.0012676100000000, -0.0025443500000000, 0.0028294100000000 ] - [ 0.0001278800000000, 0.0002055700000000, 0.0003120600000000 ] - [ -0.0006265200000000, 0.0001310400000000, 0.0004040900000000 ] - [ 0.0006033400000000, -0.0010376300000000, 0.0016098200000000 ]- atom: 55 displacement: [ -0.0001950079929100, 0.0000000000000000, 0.0099980984133335 ] forces: - [ -0.0000709800000000, -0.0067329600000000, -0.0006404600000000 ] - [ 0.0000487600000000, -0.0002964800000000, -0.0002541900000000 ] - [ -0.0001253400000000, 0.0009440100000000, 0.0029319800000000 ] - [ 0.0016706100000000, 0.0022497700000000, 0.0055323100000000 ] - [ -0.0006669900000000, 0.0002039200000000, 0.0003985600000000 ] - [ -0.0001271000000000, 0.0003507800000000, 0.0004068800000000 ] - [ 0.0002166800000000, 0.0004478400000000, -0.0098032000000000 ] - [ -0.0015400100000000, 0.0013051500000000, -0.0179288500000000 ] - [ -0.0000218900000000, -0.0006224800000000, -0.0022723000000000 ] - [ -0.0008835800000000, -0.0003420100000000, -0.0008570500000000 ] - [ 0.0031331000000000, -0.0137744000000000, 0.0007984800000000 ] - [ -0.0001718000000000, -0.0012202200000000, 0.0002588800000000 ] - [ -0.0018111000000000, 0.0062883200000000, -0.0061039200000000 ] - [ 0.0001283900000000, 0.0008167500000000, -0.0006712800000000 ] - [ 0.0017516800000000, -0.0078529800000000, 0.0565437300000000 ] - [ 0.0052387100000000, -0.0015431800000000, 0.0009278700000000 ] - [ 0.0002821600000000, -0.0017878900000000, 0.0112731000000000 ] - [ -0.0030073900000000, -0.0032851800000000, 0.0580383100000000 ] - [ 0.0007627700000000, 0.0005452600000000, 0.0007218900000000 ] - [ -0.0005255100000000, -0.0012877900000000, 0.0040207600000000 ] - [ 0.0012146700000000, 0.0003240800000000, -0.0010410600000000 ] - [ -0.0006819100000000, 0.0004932000000000, -0.0009506900000000 ] - [ -0.0003489100000000, 0.0002218300000000, -0.0007561700000000 ] - [ -0.0001291200000000, 0.0001376300000000, -0.0009862500000000 ] - [ 0.0001542500000000, 0.0007971700000000, -0.0009343500000000 ] - [ 0.0002542800000000, 0.0002149500000000, -0.0005110100000000 ] - [ 0.0006883500000000, 0.0109289800000000, 0.0033244300000000 ] - [ 0.0007274900000000, 0.0012274100000000, 0.0004047400000000 ] - [ -0.0146506100000000, -0.0056643300000000, 0.0701114800000000 ] - [ -0.0042448000000000, -0.0012567200000000, 0.0013999500000000 ] - [ -0.0005494500000000, 0.0003217900000000, -0.0000508700000000 ] - [ 0.0002009700000000, -0.0002627500000000, -0.0003192200000000 ] - [ 0.0008916100000000, 0.0001589700000000, -0.0004196700000000 ] - [ 0.0003436500000000, 0.0001437200000000, -0.0000080200000000 ] - [ 0.0000991300000000, -0.0003121900000000, 0.0000986300000000 ] - [ -0.0000141500000000, -0.0002526000000000, -0.0001238900000000 ] - [ 0.0036037500000000, 0.0121133700000000, 0.0552322600000000 ] - [ -0.0017142500000000, 0.0010107600000000, 0.0019143100000000 ] - [ 0.0004417100000000, 0.0026992600000000, -0.0019940300000000 ] - [ -0.0001931000000000, 0.0003459700000000, -0.0009860400000000 ] - [ -0.0005844500000000, -0.0005119700000000, -0.0000637800000000 ] - [ -0.0001110500000000, -0.0005063200000000, 0.0000273100000000 ] - [ -0.0216785300000000, -0.0010420700000000, 0.0051923800000000 ] - [ 0.0294992900000000, -0.0014057400000000, 0.0068020500000000 ] - [ -0.0008516900000000, -0.0010860200000000, -0.0023739200000000 ] - [ -0.0013057500000000, 0.0002096500000000, -0.0015802300000000 ] - [ -0.0008815700000000, -0.0035647800000000, 0.0010581400000000 ] - [ 0.0005941600000000, -0.0004465500000000, 0.0001014500000000 ] - [ 0.0003972700000000, 0.0003214000000000, 0.0010690500000000 ] - [ 0.0002629600000000, -0.0007593200000000, 0.0018715300000000 ] - [ -0.0031483400000000, -0.0228243000000000, 0.0421748800000000 ] - [ 0.0009550900000000, -0.0011830500000000, 0.0019012500000000 ] - [ -0.0034679700000000, 0.0023804600000000, 0.0007735900000000 ] - [ 0.0002025000000000, 0.0007405100000000, 0.0000613700000000 ] - [ 0.0269142400000000, 0.0378067400000000, -0.3552189600000000 ] - [ -0.0002731100000000, 0.0006037100000000, -0.0028815900000000 ] - [ 0.0021565400000000, -0.0008839600000000, 0.0021943800000000 ] - [ 0.0001159800000000, -0.0002142700000000, 0.0010259000000000 ] - [ 0.0001448000000000, 0.0005768900000000, -0.0019401600000000 ] - [ -0.0071629200000000, 0.0120771900000000, -0.0084217000000000 ] - [ 0.0003482800000000, -0.0001513900000000, 0.0001510700000000 ] - [ 0.0005285000000000, -0.0001279400000000, -0.0001003200000000 ] - [ 0.0001682800000000, -0.0004825200000000, 0.0000005200000000 ] - [ 0.0003164100000000, -0.0007871300000000, -0.0002303700000000 ] - [ -0.0064836900000000, 0.0269146600000000, 0.0430599800000000 ] - [ 0.0012396000000000, 0.0008715300000000, 0.0015241900000000 ] - [ -0.0000326100000000, -0.0002643800000000, 0.0000542800000000 ] - [ -0.0003602000000000, -0.0002769300000000, 0.0002554000000000 ] - [ -0.0006100000000000, -0.0023849800000000, 0.0007010200000000 ] - [ -0.0003484300000000, -0.0000438800000000, 0.0004026100000000 ] - [ -0.0003185400000000, -0.0003782500000000, -0.0006214200000000 ] - [ -0.0006391400000000, 0.0008393600000000, -0.0009619100000000 ] - [ 0.0162170200000000, -0.0009259500000000, 0.0012361900000000 ] - [ -0.0293948000000000, -0.0024517100000000, 0.0074540100000000 ] - [ 0.0061953100000000, -0.0381912400000000, 0.0230806400000000 ] - [ -0.0008660600000000, -0.0014716000000000, 0.0004855700000000 ] - [ 0.0004693600000000, 0.0029004600000000, 0.0054927300000000 ] - [ -0.0000059700000000, 0.0003189000000000, 0.0009622200000000 ] - [ -0.0004099600000000, -0.0004050400000000, -0.0003273200000000 ] - [ 0.0018344400000000, -0.0015869300000000, -0.0011180700000000 ]- atom: 55 displacement: [ 0.0001950079929100, 0.0000000000000000, -0.0099980984133335 ] forces: - [ -0.0004868700000000, 0.0067181800000000, 0.0006098500000000 ] - [ -0.0005181500000000, 0.0002836400000000, 0.0002787300000000 ] - [ 0.0006441600000000, -0.0009607000000000, -0.0029641300000000 ] - [ -0.0011859500000000, -0.0022106700000000, -0.0055684100000000 ] - [ 0.0001608000000000, -0.0002037100000000, -0.0003549600000000 ] - [ -0.0003670000000000, -0.0003494400000000, -0.0003646500000000 ] - [ 0.0003396000000000, -0.0004326300000000, 0.0097497100000000 ] - [ 0.0019317100000000, -0.0012932900000000, 0.0178575800000000 ] - [ -0.0004787100000000, 0.0007832000000000, 0.0028352700000000 ] - [ 0.0003581600000000, 0.0005037800000000, 0.0014250400000000 ] - [ -0.0028391900000000, 0.0136507700000000, -0.0004762400000000 ] - [ 0.0004528100000000, 0.0011765600000000, 0.0000283700000000 ] - [ 0.0020301400000000, -0.0061549000000000, 0.0067894200000000 ] - [ 0.0000903000000000, -0.0007250000000000, 0.0013549000000000 ] - [ -0.0045256000000000, 0.0099789300000000, -0.0615812200000000 ] - [ -0.0048555700000000, 0.0016138900000000, -0.0006422500000000 ] - [ -0.0007473700000000, 0.0016279900000000, -0.0106648200000000 ] - [ 0.0023801900000000, 0.0030509600000000, -0.0575595400000000 ] - [ -0.0009837900000000, -0.0004514800000000, -0.0014166000000000 ] - [ 0.0003265300000000, 0.0012903100000000, -0.0046144800000000 ] - [ -0.0014922300000000, -0.0003731500000000, 0.0007558800000000 ] - [ 0.0003970900000000, -0.0005437300000000, 0.0006768500000000 ] - [ 0.0001305100000000, -0.0003072700000000, 0.0000626500000000 ] - [ -0.0000892400000000, -0.0002239900000000, 0.0002909900000000 ] - [ 0.0003523700000000, -0.0009743400000000, 0.0003640100000000 ] - [ 0.0002554500000000, -0.0003879200000000, -0.0000620200000000 ] - [ -0.0001924800000000, -0.0106910400000000, -0.0038470300000000 ] - [ -0.0002100600000000, -0.0010591100000000, -0.0009626000000000 ] - [ 0.0109825200000000, 0.0054384000000000, -0.0626400800000000 ] - [ 0.0045579100000000, 0.0011979900000000, -0.0006985200000000 ] - [ 0.0002646800000000, -0.0002767400000000, -0.0002334300000000 ] - [ -0.0004775400000000, 0.0002936200000000, 0.0000273900000000 ] - [ 0.0001247800000000, 0.0001914800000000, 0.0003518000000000 ] - [ 0.0006662600000000, 0.0002067500000000, -0.0000582100000000 ] - [ -0.0002990600000000, 0.0000338700000000, -0.0007767100000000 ] - [ -0.0001862700000000, -0.0000264200000000, -0.0005540900000000 ] - [ -0.0041085400000000, -0.0125978700000000, -0.0566748500000000 ] - [ 0.0013404100000000, -0.0012583300000000, -0.0022843700000000 ] - [ -0.0007854800000000, -0.0024288400000000, 0.0015817400000000 ] - [ -0.0001618900000000, -0.0000913100000000, 0.0005861300000000 ] - [ 0.0001422200000000, 0.0004634500000000, -0.0005140800000000 ] - [ -0.0003282200000000, 0.0004606900000000, -0.0006070500000000 ] - [ 0.0217534700000000, 0.0007500300000000, -0.0045691900000000 ] - [ -0.0291804400000000, 0.0011284900000000, -0.0062047000000000 ] - [ 0.0006628300000000, 0.0013729000000000, 0.0016796700000000 ] - [ 0.0010781500000000, 0.0000790100000000, 0.0008809600000000 ] - [ 0.0018857600000000, 0.0031908300000000, -0.0011173900000000 ] - [ 0.0004229600000000, 0.0001042600000000, -0.0001742300000000 ] - [ -0.0000562900000000, -0.0000769300000000, -0.0006620300000000 ] - [ 0.0000984900000000, 0.0009916900000000, -0.0014554900000000 ] - [ 0.0024257100000000, 0.0216286700000000, -0.0408554400000000 ] - [ -0.0016271600000000, 0.0004864100000000, -0.0012908200000000 ] - [ 0.0024297900000000, -0.0027110700000000, -0.0007094200000000 ] - [ -0.0012101100000000, -0.0010844100000000, 0.0000013600000000 ] - [ -0.0192387300000000, -0.0405455500000000, 0.3535477400000000 ] - [ 0.0003374100000000, -0.0008137900000000, 0.0030713500000000 ] - [ -0.0019576200000000, 0.0011623800000000, -0.0015142900000000 ] - [ 0.0000900200000000, 0.0004912000000000, -0.0003411800000000 ] - [ 0.0004960800000000, 0.0001100600000000, 0.0013101700000000 ] - [ 0.0076103400000000, -0.0110540000000000, 0.0079586800000000 ] - [ 0.0002993500000000, -0.0005410700000000, -0.0007764600000000 ] - [ 0.0001246800000000, -0.0005641300000000, -0.0005249900000000 ] - [ 0.0001830500000000, 0.0002341100000000, 0.0003985100000000 ] - [ 0.0000369300000000, 0.0005396600000000, 0.0006246700000000 ] - [ 0.0067521000000000, -0.0264385900000000, -0.0417485200000000 ] - [ -0.0008119300000000, -0.0009260900000000, -0.0009577200000000 ] - [ -0.0000677800000000, 0.0000557100000000, -0.0002485100000000 ] - [ 0.0002629200000000, 0.0000722900000000, -0.0004469300000000 ] - [ -0.0000339700000000, 0.0031031300000000, -0.0000681700000000 ] - [ -0.0003038700000000, 0.0007432100000000, 0.0002213500000000 ] - [ -0.0001234600000000, 0.0004275000000000, 0.0000413600000000 ] - [ 0.0002037600000000, -0.0007436200000000, 0.0003864100000000 ] - [ -0.0172107300000000, 0.0012693700000000, -0.0010865000000000 ] - [ 0.0284840900000000, 0.0028140700000000, -0.0072969000000000 ] - [ -0.0058500700000000, 0.0386467600000000, -0.0226687000000000 ] - [ 0.0012959400000000, 0.0015072300000000, 0.0000934400000000 ] - [ -0.0003582000000000, -0.0026566600000000, -0.0052650000000000 ] - [ 0.0001022100000000, -0.0001096100000000, -0.0007643400000000 ] - [ 0.0003040300000000, 0.0006156200000000, 0.0001297700000000 ] - [ -0.0019191000000000, 0.0017983400000000, 0.0008955400000000 ]