# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/e6b6f647-7590-4441-8fee-627abdfe2374/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 SrAlSi4N7 / Pna2_1 (33) / materials id 570577](https://mdr.nims.go.jp/datasets/ec26580c-5ce8-4475-b9b7-2050633f00d0) ## 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: "Pna2_1" number: 33 Hall_symbol: "P 2c -2n"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 11.756402030000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 21.125082330000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 4.945727960000000 ] # c points: - symbol: Sr # 1 coordinates: [ 0.228067720000000, 0.009780260000000, 0.934698380000000 ] mass: 87.620000 - symbol: Sr # 2 coordinates: [ 0.271932280000000, 0.509780260000000, 0.434698380000000 ] mass: 87.620000 - symbol: Sr # 3 coordinates: [ 0.152141660000000, 0.797943860000000, 0.467124940000000 ] mass: 87.620000 - symbol: Sr # 4 coordinates: [ 0.652141660000000, 0.702056140000000, 0.467124940000000 ] mass: 87.620000 - symbol: Sr # 5 coordinates: [ 0.771932280000000, 0.990219740000000, 0.434698380000000 ] mass: 87.620000 - symbol: Sr # 6 coordinates: [ 0.728067720000000, 0.490219740000000, 0.934698380000000 ] mass: 87.620000 - symbol: Sr # 7 coordinates: [ 0.347858340000000, 0.297943860000000, 0.967124940000000 ] mass: 87.620000 - symbol: Sr # 8 coordinates: [ 0.847858340000000, 0.202056140000000, 0.967124940000000 ] mass: 87.620000 - symbol: Al # 9 coordinates: [ 0.662362450000000, 0.848411580000000, 0.232064100000000 ] mass: 26.981539 - symbol: Al # 10 coordinates: [ 0.337637550000000, 0.151588420000000, 0.732064100000000 ] mass: 26.981539 - symbol: Al # 11 coordinates: [ 0.663644750000000, 0.849982680000000, 0.739713700000000 ] mass: 26.981539 - symbol: Al # 12 coordinates: [ 0.836355250000000, 0.349982680000000, 0.239713700000000 ] mass: 26.981539 - symbol: Al # 13 coordinates: [ 0.336355250000000, 0.150017320000000, 0.239713700000000 ] mass: 26.981539 - symbol: Al # 14 coordinates: [ 0.837637550000000, 0.348411580000000, 0.732064100000000 ] mass: 26.981539 - symbol: Al # 15 coordinates: [ 0.163644750000000, 0.650017320000000, 0.739713700000000 ] mass: 26.981539 - symbol: Al # 16 coordinates: [ 0.162362450000000, 0.651588420000000, 0.232064100000000 ] mass: 26.981539 - symbol: Si # 17 coordinates: [ 0.964266900000000, 0.110089240000000, 0.457884270000000 ] mass: 28.085500 - symbol: Si # 18 coordinates: [ 0.931086050000000, 0.699670880000000, 0.468474840000000 ] mass: 28.085500 - symbol: Si # 19 coordinates: [ 0.811911350000000, 0.639220610000000, 0.948683370000000 ] mass: 28.085500 - symbol: Si # 20 coordinates: [ 0.900910470000000, 0.847129210000000, 0.470748270000000 ] mass: 28.085500 - symbol: Si # 21 coordinates: [ 0.400910470000000, 0.652870790000000, 0.470748270000000 ] mass: 28.085500 - symbol: Si # 22 coordinates: [ 0.464266900000000, 0.389910760000000, 0.457884270000000 ] mass: 28.085500 - symbol: Si # 23 coordinates: [ 0.497894450000000, 0.044243270000000, 0.458520070000000 ] mass: 28.085500 - symbol: Si # 24 coordinates: [ 0.188088650000000, 0.360779390000000, 0.448683370000000 ] mass: 28.085500 - symbol: Si # 25 coordinates: [ 0.568913950000000, 0.199670880000000, 0.968474840000000 ] mass: 28.085500 - symbol: Si # 26 coordinates: [ 0.068913950000000, 0.300329120000000, 0.968474840000000 ] mass: 28.085500 - symbol: Si # 27 coordinates: [ 0.939310330000000, 0.033016050000000, 0.957395930000000 ] mass: 28.085500 - symbol: Si # 28 coordinates: [ 0.161722610000000, 0.434630510000000, 0.945186290000000 ] mass: 28.085500 - symbol: Si # 29 coordinates: [ 0.138251860000000, 0.223238990000000, 0.469088630000000 ] mass: 28.085500 - symbol: Si # 30 coordinates: [ 0.661722610000000, 0.065369490000000, 0.945186290000000 ] mass: 28.085500 - symbol: Si # 31 coordinates: [ 0.439310330000000, 0.466983950000000, 0.957395930000000 ] mass: 28.085500 - symbol: Si # 32 coordinates: [ 0.311911350000000, 0.860779390000000, 0.948683370000000 ] mass: 28.085500 - symbol: Si # 33 coordinates: [ 0.502105550000000, 0.955756730000000, 0.958520070000000 ] mass: 28.085500 - symbol: Si # 34 coordinates: [ 0.338277390000000, 0.934630510000000, 0.445186290000000 ] mass: 28.085500 - symbol: Si # 35 coordinates: [ 0.838277390000000, 0.565369490000000, 0.445186290000000 ] mass: 28.085500 - symbol: Si # 36 coordinates: [ 0.861748140000000, 0.776761010000000, 0.969088630000000 ] mass: 28.085500 - symbol: Si # 37 coordinates: [ 0.560689670000000, 0.533016050000000, 0.457395930000000 ] mass: 28.085500 - symbol: Si # 38 coordinates: [ 0.431086050000000, 0.800329120000000, 0.468474840000000 ] mass: 28.085500 - symbol: Si # 39 coordinates: [ 0.599089530000000, 0.347129210000000, 0.970748270000000 ] mass: 28.085500 - symbol: Si # 40 coordinates: [ 0.361748140000000, 0.723238990000000, 0.969088630000000 ] mass: 28.085500 - symbol: Si # 41 coordinates: [ 0.688088650000000, 0.139220610000000, 0.448683370000000 ] mass: 28.085500 - symbol: Si # 42 coordinates: [ 0.060689670000000, 0.966983950000000, 0.457395930000000 ] mass: 28.085500 - symbol: Si # 43 coordinates: [ 0.002105550000000, 0.544243270000000, 0.958520070000000 ] mass: 28.085500 - symbol: Si # 44 coordinates: [ 0.035733100000000, 0.889910760000000, 0.957884270000000 ] mass: 28.085500 - symbol: Si # 45 coordinates: [ 0.997894450000000, 0.455756730000000, 0.458520070000000 ] mass: 28.085500 - symbol: Si # 46 coordinates: [ 0.535733100000000, 0.610089240000000, 0.957884270000000 ] mass: 28.085500 - symbol: Si # 47 coordinates: [ 0.638251860000000, 0.276761010000000, 0.469088630000000 ] mass: 28.085500 - symbol: Si # 48 coordinates: [ 0.099089530000000, 0.152870790000000, 0.970748270000000 ] mass: 28.085500 - symbol: N # 49 coordinates: [ 0.130193050000000, 0.294499730000000, 0.289954010000000 ] mass: 14.006700 - symbol: N # 50 coordinates: [ 0.085488210000000, 0.226668430000000, 0.802440230000000 ] mass: 14.006700 - symbol: N # 51 coordinates: [ 0.000707220000000, 0.101755870000000, 0.805188870000000 ] mass: 14.006700 - symbol: N # 52 coordinates: [ 0.414511790000000, 0.726668430000000, 0.302440230000000 ] mass: 14.006700 - symbol: N # 53 coordinates: [ 0.704570570000000, 0.532389210000000, 0.425255450000000 ] mass: 14.006700 - symbol: N # 54 coordinates: [ 0.511570450000000, 0.533302170000000, 0.802115350000000 ] mass: 14.006700 - symbol: N # 55 coordinates: [ 0.930328570000000, 0.314646850000000, 0.987834070000000 ] mass: 14.006700 - symbol: N # 56 coordinates: [ 0.011570450000000, 0.966697830000000, 0.802115350000000 ] mass: 14.006700 - symbol: N # 57 coordinates: [ 0.346231430000000, 0.857651720000000, 0.296769800000000 ] mass: 14.006700 - symbol: N # 58 coordinates: [ 0.569671430000000, 0.814646850000000, 0.487834070000000 ] mass: 14.006700 - symbol: N # 59 coordinates: [ 0.653768570000000, 0.142348280000000, 0.796769800000000 ] mass: 14.006700 - symbol: N # 60 coordinates: [ 0.721832980000000, 0.792594450000000, 0.984913080000000 ] mass: 14.006700 - symbol: N # 61 coordinates: [ 0.943920460000000, 0.520825780000000, 0.275125680000000 ] mass: 14.006700 - symbol: N # 62 coordinates: [ 0.846231430000000, 0.642348280000000, 0.296769800000000 ] mass: 14.006700 - symbol: N # 63 coordinates: [ 0.056079540000000, 0.479174220000000, 0.775125680000000 ] mass: 14.006700 - symbol: N # 64 coordinates: [ 0.109844840000000, 0.594427160000000, 0.992505780000000 ] mass: 14.006700 - symbol: N # 65 coordinates: [ 0.731389160000000, 0.376121910000000, 0.980760930000000 ] mass: 14.006700 - symbol: N # 66 coordinates: [ 0.550605280000000, 0.332839840000000, 0.299874010000000 ] mass: 14.006700 - symbol: N # 67 coordinates: [ 0.500707220000000, 0.398244130000000, 0.805188870000000 ] mass: 14.006700 - symbol: N # 68 coordinates: [ 0.778167020000000, 0.292594450000000, 0.484913080000000 ] mass: 14.006700 - symbol: N # 69 coordinates: [ 0.879809990000000, 0.573381650000000, 0.787612200000000 ] mass: 14.006700 - symbol: N # 70 coordinates: [ 0.670955640000000, 0.631971770000000, 0.909797730000000 ] mass: 14.006700 - symbol: N # 71 coordinates: [ 0.556079540000000, 0.020825780000000, 0.775125680000000 ] mass: 14.006700 - symbol: N # 72 coordinates: [ 0.609844840000000, 0.905572840000000, 0.992505780000000 ] mass: 14.006700 - symbol: N # 73 coordinates: [ 0.949394720000000, 0.832839840000000, 0.799874010000000 ] mass: 14.006700 - symbol: N # 74 coordinates: [ 0.390155160000000, 0.094427160000000, 0.492505780000000 ] mass: 14.006700 - symbol: N # 75 coordinates: [ 0.620190010000000, 0.073381650000000, 0.287612200000000 ] mass: 14.006700 - symbol: N # 76 coordinates: [ 0.499292780000000, 0.601755870000000, 0.305188870000000 ] mass: 14.006700 - symbol: N # 77 coordinates: [ 0.329044360000000, 0.368028230000000, 0.409797730000000 ] mass: 14.006700 - symbol: N # 78 coordinates: [ 0.221832980000000, 0.707405550000000, 0.984913080000000 ] mass: 14.006700 - symbol: N # 79 coordinates: [ 0.170955640000000, 0.868028230000000, 0.909797730000000 ] mass: 14.006700 - symbol: N # 80 coordinates: [ 0.430328570000000, 0.185353150000000, 0.987834070000000 ] mass: 14.006700 - symbol: N # 81 coordinates: [ 0.630193050000000, 0.205500270000000, 0.289954010000000 ] mass: 14.006700 - symbol: N # 82 coordinates: [ 0.795429430000000, 0.032389210000000, 0.925255450000000 ] mass: 14.006700 - symbol: N # 83 coordinates: [ 0.443920460000000, 0.979174220000000, 0.275125680000000 ] mass: 14.006700 - symbol: N # 84 coordinates: [ 0.914511790000000, 0.773331570000000, 0.302440230000000 ] mass: 14.006700 - symbol: N # 85 coordinates: [ 0.829044360000000, 0.131971770000000, 0.409797730000000 ] mass: 14.006700 - symbol: N # 86 coordinates: [ 0.585488210000000, 0.273331570000000, 0.802440230000000 ] mass: 14.006700 - symbol: N # 87 coordinates: [ 0.449394720000000, 0.667160160000000, 0.799874010000000 ] mass: 14.006700 - symbol: N # 88 coordinates: [ 0.050605280000000, 0.167160160000000, 0.299874010000000 ] mass: 14.006700 - symbol: N # 89 coordinates: [ 0.268610840000000, 0.623878090000000, 0.480760930000000 ] mass: 14.006700 - symbol: N # 90 coordinates: [ 0.204570570000000, 0.967610790000000, 0.425255450000000 ] mass: 14.006700 - symbol: N # 91 coordinates: [ 0.153768570000000, 0.357651720000000, 0.796769800000000 ] mass: 14.006700 - symbol: N # 92 coordinates: [ 0.379809990000000, 0.926618350000000, 0.787612200000000 ] mass: 14.006700 - symbol: N # 93 coordinates: [ 0.278167020000000, 0.207405550000000, 0.484913080000000 ] mass: 14.006700 - symbol: N # 94 coordinates: [ 0.869806950000000, 0.705500270000000, 0.789954010000000 ] mass: 14.006700 - symbol: N # 95 coordinates: [ 0.069671430000000, 0.685353150000000, 0.487834070000000 ] mass: 14.006700 - symbol: N # 96 coordinates: [ 0.369806950000000, 0.794499730000000, 0.789954010000000 ] mass: 14.006700 - symbol: N # 97 coordinates: [ 0.120190010000000, 0.426618350000000, 0.287612200000000 ] mass: 14.006700 - symbol: N # 98 coordinates: [ 0.768610840000000, 0.876121910000000, 0.480760930000000 ] mass: 14.006700 - symbol: N # 99 coordinates: [ 0.988429550000000, 0.033302170000000, 0.302115350000000 ] mass: 14.006700 - symbol: N # 100 coordinates: [ 0.999292780000000, 0.898244130000000, 0.305188870000000 ] mass: 14.006700 - symbol: N # 101 coordinates: [ 0.890155160000000, 0.405572840000000, 0.492505780000000 ] mass: 14.006700 - symbol: N # 102 coordinates: [ 0.231389160000000, 0.123878090000000, 0.980760930000000 ] mass: 14.006700 - symbol: N # 103 coordinates: [ 0.488429550000000, 0.466697830000000, 0.302115350000000 ] mass: 14.006700 - symbol: N # 104 coordinates: [ 0.295429430000000, 0.467610790000000, 0.925255450000000 ] mass: 14.006700 reciprocal_lattice: # without 2pi - [ 0.085060037709513, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.047337093620690, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.202194703810599 ] # c*unit_cell: lattice: - [ 11.756402030000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 21.125082330000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 4.945727960000000 ] # c points: - symbol: Sr # 1 coordinates: [ 0.228067720000000, 0.009780260000000, 0.934698380000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 2 coordinates: [ 0.271932280000000, 0.509780260000000, 0.434698380000000 ] mass: 87.620000 reduced_to: 2 - symbol: Sr # 3 coordinates: [ 0.152141660000000, 0.797943860000000, 0.467124940000000 ] mass: 87.620000 reduced_to: 3 - symbol: Sr # 4 coordinates: [ 0.652141660000000, 0.702056140000000, 0.467124940000000 ] mass: 87.620000 reduced_to: 4 - symbol: Sr # 5 coordinates: [ 0.771932280000000, 0.990219740000000, 0.434698380000000 ] mass: 87.620000 reduced_to: 5 - symbol: Sr # 6 coordinates: [ 0.728067720000000, 0.490219740000000, 0.934698380000000 ] mass: 87.620000 reduced_to: 6 - symbol: Sr # 7 coordinates: [ 0.347858340000000, 0.297943860000000, 0.967124940000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 8 coordinates: [ 0.847858340000000, 0.202056140000000, 0.967124940000000 ] mass: 87.620000 reduced_to: 8 - symbol: Al # 9 coordinates: [ 0.662362450000000, 0.848411580000000, 0.232064100000000 ] mass: 26.981539 reduced_to: 9 - symbol: Al # 10 coordinates: [ 0.337637550000000, 0.151588420000000, 0.732064100000000 ] mass: 26.981539 reduced_to: 10 - symbol: Al # 11 coordinates: [ 0.663644750000000, 0.849982680000000, 0.739713700000000 ] mass: 26.981539 reduced_to: 11 - symbol: Al # 12 coordinates: [ 0.836355250000000, 0.349982680000000, 0.239713700000000 ] mass: 26.981539 reduced_to: 12 - symbol: Al # 13 coordinates: [ 0.336355250000000, 0.150017320000000, 0.239713700000000 ] mass: 26.981539 reduced_to: 13 - symbol: Al # 14 coordinates: [ 0.837637550000000, 0.348411580000000, 0.732064100000000 ] mass: 26.981539 reduced_to: 14 - symbol: Al # 15 coordinates: [ 0.163644750000000, 0.650017320000000, 0.739713700000000 ] mass: 26.981539 reduced_to: 15 - symbol: Al # 16 coordinates: [ 0.162362450000000, 0.651588420000000, 0.232064100000000 ] mass: 26.981539 reduced_to: 16 - symbol: Si # 17 coordinates: [ 0.964266900000000, 0.110089240000000, 0.457884270000000 ] mass: 28.085500 reduced_to: 17 - symbol: Si # 18 coordinates: [ 0.931086050000000, 0.699670880000000, 0.468474840000000 ] mass: 28.085500 reduced_to: 18 - symbol: Si # 19 coordinates: [ 0.811911350000000, 0.639220610000000, 0.948683370000000 ] mass: 28.085500 reduced_to: 19 - symbol: Si # 20 coordinates: [ 0.900910470000000, 0.847129210000000, 0.470748270000000 ] mass: 28.085500 reduced_to: 20 - symbol: Si # 21 coordinates: [ 0.400910470000000, 0.652870790000000, 0.470748270000000 ] mass: 28.085500 reduced_to: 21 - symbol: Si # 22 coordinates: [ 0.464266900000000, 0.389910760000000, 0.457884270000000 ] mass: 28.085500 reduced_to: 22 - symbol: Si # 23 coordinates: [ 0.497894450000000, 0.044243270000000, 0.458520070000000 ] mass: 28.085500 reduced_to: 23 - symbol: Si # 24 coordinates: [ 0.188088650000000, 0.360779390000000, 0.448683370000000 ] mass: 28.085500 reduced_to: 24 - symbol: Si # 25 coordinates: [ 0.568913950000000, 0.199670880000000, 0.968474840000000 ] mass: 28.085500 reduced_to: 25 - symbol: Si # 26 coordinates: [ 0.068913950000000, 0.300329120000000, 0.968474840000000 ] mass: 28.085500 reduced_to: 26 - symbol: Si # 27 coordinates: [ 0.939310330000000, 0.033016050000000, 0.957395930000000 ] mass: 28.085500 reduced_to: 27 - symbol: Si # 28 coordinates: [ 0.161722610000000, 0.434630510000000, 0.945186290000000 ] mass: 28.085500 reduced_to: 28 - symbol: Si # 29 coordinates: [ 0.138251860000000, 0.223238990000000, 0.469088630000000 ] mass: 28.085500 reduced_to: 29 - symbol: Si # 30 coordinates: [ 0.661722610000000, 0.065369490000000, 0.945186290000000 ] mass: 28.085500 reduced_to: 30 - symbol: Si # 31 coordinates: [ 0.439310330000000, 0.466983950000000, 0.957395930000000 ] mass: 28.085500 reduced_to: 31 - symbol: Si # 32 coordinates: [ 0.311911350000000, 0.860779390000000, 0.948683370000000 ] mass: 28.085500 reduced_to: 32 - symbol: Si # 33 coordinates: [ 0.502105550000000, 0.955756730000000, 0.958520070000000 ] mass: 28.085500 reduced_to: 33 - symbol: Si # 34 coordinates: [ 0.338277390000000, 0.934630510000000, 0.445186290000000 ] mass: 28.085500 reduced_to: 34 - symbol: Si # 35 coordinates: [ 0.838277390000000, 0.565369490000000, 0.445186290000000 ] mass: 28.085500 reduced_to: 35 - symbol: Si # 36 coordinates: [ 0.861748140000000, 0.776761010000000, 0.969088630000000 ] mass: 28.085500 reduced_to: 36 - symbol: Si # 37 coordinates: [ 0.560689670000000, 0.533016050000000, 0.457395930000000 ] mass: 28.085500 reduced_to: 37 - symbol: Si # 38 coordinates: [ 0.431086050000000, 0.800329120000000, 0.468474840000000 ] mass: 28.085500 reduced_to: 38 - symbol: Si # 39 coordinates: [ 0.599089530000000, 0.347129210000000, 0.970748270000000 ] mass: 28.085500 reduced_to: 39 - symbol: Si # 40 coordinates: [ 0.361748140000000, 0.723238990000000, 0.969088630000000 ] mass: 28.085500 reduced_to: 40 - symbol: Si # 41 coordinates: [ 0.688088650000000, 0.139220610000000, 0.448683370000000 ] mass: 28.085500 reduced_to: 41 - symbol: Si # 42 coordinates: [ 0.060689670000000, 0.966983950000000, 0.457395930000000 ] mass: 28.085500 reduced_to: 42 - symbol: Si # 43 coordinates: [ 0.002105550000000, 0.544243270000000, 0.958520070000000 ] mass: 28.085500 reduced_to: 43 - symbol: Si # 44 coordinates: [ 0.035733100000000, 0.889910760000000, 0.957884270000000 ] mass: 28.085500 reduced_to: 44 - symbol: Si # 45 coordinates: [ 0.997894450000000, 0.455756730000000, 0.458520070000000 ] mass: 28.085500 reduced_to: 45 - symbol: Si # 46 coordinates: [ 0.535733100000000, 0.610089240000000, 0.957884270000000 ] mass: 28.085500 reduced_to: 46 - symbol: Si # 47 coordinates: [ 0.638251860000000, 0.276761010000000, 0.469088630000000 ] mass: 28.085500 reduced_to: 47 - symbol: Si # 48 coordinates: [ 0.099089530000000, 0.152870790000000, 0.970748270000000 ] mass: 28.085500 reduced_to: 48 - symbol: N # 49 coordinates: [ 0.130193050000000, 0.294499730000000, 0.289954010000000 ] mass: 14.006700 reduced_to: 49 - symbol: N # 50 coordinates: [ 0.085488210000000, 0.226668430000000, 0.802440230000000 ] mass: 14.006700 reduced_to: 50 - symbol: N # 51 coordinates: [ 0.000707220000000, 0.101755870000000, 0.805188870000000 ] mass: 14.006700 reduced_to: 51 - symbol: N # 52 coordinates: [ 0.414511790000000, 0.726668430000000, 0.302440230000000 ] mass: 14.006700 reduced_to: 52 - symbol: N # 53 coordinates: [ 0.704570570000000, 0.532389210000000, 0.425255450000000 ] mass: 14.006700 reduced_to: 53 - symbol: N # 54 coordinates: [ 0.511570450000000, 0.533302170000000, 0.802115350000000 ] mass: 14.006700 reduced_to: 54 - symbol: N # 55 coordinates: [ 0.930328570000000, 0.314646850000000, 0.987834070000000 ] mass: 14.006700 reduced_to: 55 - symbol: N # 56 coordinates: [ 0.011570450000000, 0.966697830000000, 0.802115350000000 ] mass: 14.006700 reduced_to: 56 - symbol: N # 57 coordinates: [ 0.346231430000000, 0.857651720000000, 0.296769800000000 ] mass: 14.006700 reduced_to: 57 - symbol: N # 58 coordinates: [ 0.569671430000000, 0.814646850000000, 0.487834070000000 ] mass: 14.006700 reduced_to: 58 - symbol: N # 59 coordinates: [ 0.653768570000000, 0.142348280000000, 0.796769800000000 ] mass: 14.006700 reduced_to: 59 - symbol: N # 60 coordinates: [ 0.721832980000000, 0.792594450000000, 0.984913080000000 ] mass: 14.006700 reduced_to: 60 - symbol: N # 61 coordinates: [ 0.943920460000000, 0.520825780000000, 0.275125680000000 ] mass: 14.006700 reduced_to: 61 - symbol: N # 62 coordinates: [ 0.846231430000000, 0.642348280000000, 0.296769800000000 ] mass: 14.006700 reduced_to: 62 - symbol: N # 63 coordinates: [ 0.056079540000000, 0.479174220000000, 0.775125680000000 ] mass: 14.006700 reduced_to: 63 - symbol: N # 64 coordinates: [ 0.109844840000000, 0.594427160000000, 0.992505780000000 ] mass: 14.006700 reduced_to: 64 - symbol: N # 65 coordinates: [ 0.731389160000000, 0.376121910000000, 0.980760930000000 ] mass: 14.006700 reduced_to: 65 - symbol: N # 66 coordinates: [ 0.550605280000000, 0.332839840000000, 0.299874010000000 ] mass: 14.006700 reduced_to: 66 - symbol: N # 67 coordinates: [ 0.500707220000000, 0.398244130000000, 0.805188870000000 ] mass: 14.006700 reduced_to: 67 - symbol: N # 68 coordinates: [ 0.778167020000000, 0.292594450000000, 0.484913080000000 ] mass: 14.006700 reduced_to: 68 - symbol: N # 69 coordinates: [ 0.879809990000000, 0.573381650000000, 0.787612200000000 ] mass: 14.006700 reduced_to: 69 - symbol: N # 70 coordinates: [ 0.670955640000000, 0.631971770000000, 0.909797730000000 ] mass: 14.006700 reduced_to: 70 - symbol: N # 71 coordinates: [ 0.556079540000000, 0.020825780000000, 0.775125680000000 ] mass: 14.006700 reduced_to: 71 - symbol: N # 72 coordinates: [ 0.609844840000000, 0.905572840000000, 0.992505780000000 ] mass: 14.006700 reduced_to: 72 - symbol: N # 73 coordinates: [ 0.949394720000000, 0.832839840000000, 0.799874010000000 ] mass: 14.006700 reduced_to: 73 - symbol: N # 74 coordinates: [ 0.390155160000000, 0.094427160000000, 0.492505780000000 ] mass: 14.006700 reduced_to: 74 - symbol: N # 75 coordinates: [ 0.620190010000000, 0.073381650000000, 0.287612200000000 ] mass: 14.006700 reduced_to: 75 - symbol: N # 76 coordinates: [ 0.499292780000000, 0.601755870000000, 0.305188870000000 ] mass: 14.006700 reduced_to: 76 - symbol: N # 77 coordinates: [ 0.329044360000000, 0.368028230000000, 0.409797730000000 ] mass: 14.006700 reduced_to: 77 - symbol: N # 78 coordinates: [ 0.221832980000000, 0.707405550000000, 0.984913080000000 ] mass: 14.006700 reduced_to: 78 - symbol: N # 79 coordinates: [ 0.170955640000000, 0.868028230000000, 0.909797730000000 ] mass: 14.006700 reduced_to: 79 - symbol: N # 80 coordinates: [ 0.430328570000000, 0.185353150000000, 0.987834070000000 ] mass: 14.006700 reduced_to: 80 - symbol: N # 81 coordinates: [ 0.630193050000000, 0.205500270000000, 0.289954010000000 ] mass: 14.006700 reduced_to: 81 - symbol: N # 82 coordinates: [ 0.795429430000000, 0.032389210000000, 0.925255450000000 ] mass: 14.006700 reduced_to: 82 - symbol: N # 83 coordinates: [ 0.443920460000000, 0.979174220000000, 0.275125680000000 ] mass: 14.006700 reduced_to: 83 - symbol: N # 84 coordinates: [ 0.914511790000000, 0.773331570000000, 0.302440230000000 ] mass: 14.006700 reduced_to: 84 - symbol: N # 85 coordinates: [ 0.829044360000000, 0.131971770000000, 0.409797730000000 ] mass: 14.006700 reduced_to: 85 - symbol: N # 86 coordinates: [ 0.585488210000000, 0.273331570000000, 0.802440230000000 ] mass: 14.006700 reduced_to: 86 - symbol: N # 87 coordinates: [ 0.449394720000000, 0.667160160000000, 0.799874010000000 ] mass: 14.006700 reduced_to: 87 - symbol: N # 88 coordinates: [ 0.050605280000000, 0.167160160000000, 0.299874010000000 ] mass: 14.006700 reduced_to: 88 - symbol: N # 89 coordinates: [ 0.268610840000000, 0.623878090000000, 0.480760930000000 ] mass: 14.006700 reduced_to: 89 - symbol: N # 90 coordinates: [ 0.204570570000000, 0.967610790000000, 0.425255450000000 ] mass: 14.006700 reduced_to: 90 - symbol: N # 91 coordinates: [ 0.153768570000000, 0.357651720000000, 0.796769800000000 ] mass: 14.006700 reduced_to: 91 - symbol: N # 92 coordinates: [ 0.379809990000000, 0.926618350000000, 0.787612200000000 ] mass: 14.006700 reduced_to: 92 - symbol: N # 93 coordinates: [ 0.278167020000000, 0.207405550000000, 0.484913080000000 ] mass: 14.006700 reduced_to: 93 - symbol: N # 94 coordinates: [ 0.869806950000000, 0.705500270000000, 0.789954010000000 ] mass: 14.006700 reduced_to: 94 - symbol: N # 95 coordinates: [ 0.069671430000000, 0.685353150000000, 0.487834070000000 ] mass: 14.006700 reduced_to: 95 - symbol: N # 96 coordinates: [ 0.369806950000000, 0.794499730000000, 0.789954010000000 ] mass: 14.006700 reduced_to: 96 - symbol: N # 97 coordinates: [ 0.120190010000000, 0.426618350000000, 0.287612200000000 ] mass: 14.006700 reduced_to: 97 - symbol: N # 98 coordinates: [ 0.768610840000000, 0.876121910000000, 0.480760930000000 ] mass: 14.006700 reduced_to: 98 - symbol: N # 99 coordinates: [ 0.988429550000000, 0.033302170000000, 0.302115350000000 ] mass: 14.006700 reduced_to: 99 - symbol: N # 100 coordinates: [ 0.999292780000000, 0.898244130000000, 0.305188870000000 ] mass: 14.006700 reduced_to: 100 - symbol: N # 101 coordinates: [ 0.890155160000000, 0.405572840000000, 0.492505780000000 ] mass: 14.006700 reduced_to: 101 - symbol: N # 102 coordinates: [ 0.231389160000000, 0.123878090000000, 0.980760930000000 ] mass: 14.006700 reduced_to: 102 - symbol: N # 103 coordinates: [ 0.488429550000000, 0.466697830000000, 0.302115350000000 ] mass: 14.006700 reduced_to: 103 - symbol: N # 104 coordinates: [ 0.295429430000000, 0.467610790000000, 0.925255450000000 ] mass: 14.006700 reduced_to: 104supercell: lattice: - [ 11.756402030000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 21.125082330000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 4.945727960000000 ] # c points: - symbol: Sr # 1 coordinates: [ 0.228067720000000, 0.009780260000000, 0.934698380000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 2 coordinates: [ 0.271932280000000, 0.509780260000000, 0.434698380000000 ] mass: 87.620000 reduced_to: 2 - symbol: Sr # 3 coordinates: [ 0.152141660000000, 0.797943860000000, 0.467124940000000 ] mass: 87.620000 reduced_to: 3 - symbol: Sr # 4 coordinates: [ 0.652141660000000, 0.702056140000000, 0.467124940000000 ] mass: 87.620000 reduced_to: 4 - symbol: Sr # 5 coordinates: [ 0.771932280000000, 0.990219740000000, 0.434698380000000 ] mass: 87.620000 reduced_to: 5 - symbol: Sr # 6 coordinates: [ 0.728067720000000, 0.490219740000000, 0.934698380000000 ] mass: 87.620000 reduced_to: 6 - symbol: Sr # 7 coordinates: [ 0.347858340000000, 0.297943860000000, 0.967124940000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 8 coordinates: [ 0.847858340000000, 0.202056140000000, 0.967124940000000 ] mass: 87.620000 reduced_to: 8 - symbol: Al # 9 coordinates: [ 0.662362450000000, 0.848411580000000, 0.232064100000000 ] mass: 26.981539 reduced_to: 9 - symbol: Al # 10 coordinates: [ 0.337637550000000, 0.151588420000000, 0.732064100000000 ] mass: 26.981539 reduced_to: 10 - symbol: Al # 11 coordinates: [ 0.663644750000000, 0.849982680000000, 0.739713700000000 ] mass: 26.981539 reduced_to: 11 - symbol: Al # 12 coordinates: [ 0.836355250000000, 0.349982680000000, 0.239713700000000 ] mass: 26.981539 reduced_to: 12 - symbol: Al # 13 coordinates: [ 0.336355250000000, 0.150017320000000, 0.239713700000000 ] mass: 26.981539 reduced_to: 13 - symbol: Al # 14 coordinates: [ 0.837637550000000, 0.348411580000000, 0.732064100000000 ] mass: 26.981539 reduced_to: 14 - symbol: Al # 15 coordinates: [ 0.163644750000000, 0.650017320000000, 0.739713700000000 ] mass: 26.981539 reduced_to: 15 - symbol: Al # 16 coordinates: [ 0.162362450000000, 0.651588420000000, 0.232064100000000 ] mass: 26.981539 reduced_to: 16 - symbol: Si # 17 coordinates: [ 0.964266900000000, 0.110089240000000, 0.457884270000000 ] mass: 28.085500 reduced_to: 17 - symbol: Si # 18 coordinates: [ 0.931086050000000, 0.699670880000000, 0.468474840000000 ] mass: 28.085500 reduced_to: 18 - symbol: Si # 19 coordinates: [ 0.811911350000000, 0.639220610000000, 0.948683370000000 ] mass: 28.085500 reduced_to: 19 - symbol: Si # 20 coordinates: [ 0.900910470000000, 0.847129210000000, 0.470748270000000 ] mass: 28.085500 reduced_to: 20 - symbol: Si # 21 coordinates: [ 0.400910470000000, 0.652870790000000, 0.470748270000000 ] mass: 28.085500 reduced_to: 21 - symbol: Si # 22 coordinates: [ 0.464266900000000, 0.389910760000000, 0.457884270000000 ] mass: 28.085500 reduced_to: 22 - symbol: Si # 23 coordinates: [ 0.497894450000000, 0.044243270000000, 0.458520070000000 ] mass: 28.085500 reduced_to: 23 - symbol: Si # 24 coordinates: [ 0.188088650000000, 0.360779390000000, 0.448683370000000 ] mass: 28.085500 reduced_to: 24 - symbol: Si # 25 coordinates: [ 0.568913950000000, 0.199670880000000, 0.968474840000000 ] mass: 28.085500 reduced_to: 25 - symbol: Si # 26 coordinates: [ 0.068913950000000, 0.300329120000000, 0.968474840000000 ] mass: 28.085500 reduced_to: 26 - symbol: Si # 27 coordinates: [ 0.939310330000000, 0.033016050000000, 0.957395930000000 ] mass: 28.085500 reduced_to: 27 - symbol: Si # 28 coordinates: [ 0.161722610000000, 0.434630510000000, 0.945186290000000 ] mass: 28.085500 reduced_to: 28 - symbol: Si # 29 coordinates: [ 0.138251860000000, 0.223238990000000, 0.469088630000000 ] mass: 28.085500 reduced_to: 29 - symbol: Si # 30 coordinates: [ 0.661722610000000, 0.065369490000000, 0.945186290000000 ] mass: 28.085500 reduced_to: 30 - symbol: Si # 31 coordinates: [ 0.439310330000000, 0.466983950000000, 0.957395930000000 ] mass: 28.085500 reduced_to: 31 - symbol: Si # 32 coordinates: [ 0.311911350000000, 0.860779390000000, 0.948683370000000 ] mass: 28.085500 reduced_to: 32 - symbol: Si # 33 coordinates: [ 0.502105550000000, 0.955756730000000, 0.958520070000000 ] mass: 28.085500 reduced_to: 33 - symbol: Si # 34 coordinates: [ 0.338277390000000, 0.934630510000000, 0.445186290000000 ] mass: 28.085500 reduced_to: 34 - symbol: Si # 35 coordinates: [ 0.838277390000000, 0.565369490000000, 0.445186290000000 ] mass: 28.085500 reduced_to: 35 - symbol: Si # 36 coordinates: [ 0.861748140000000, 0.776761010000000, 0.969088630000000 ] mass: 28.085500 reduced_to: 36 - symbol: Si # 37 coordinates: [ 0.560689670000000, 0.533016050000000, 0.457395930000000 ] mass: 28.085500 reduced_to: 37 - symbol: Si # 38 coordinates: [ 0.431086050000000, 0.800329120000000, 0.468474840000000 ] mass: 28.085500 reduced_to: 38 - symbol: Si # 39 coordinates: [ 0.599089530000000, 0.347129210000000, 0.970748270000000 ] mass: 28.085500 reduced_to: 39 - symbol: Si # 40 coordinates: [ 0.361748140000000, 0.723238990000000, 0.969088630000000 ] mass: 28.085500 reduced_to: 40 - symbol: Si # 41 coordinates: [ 0.688088650000000, 0.139220610000000, 0.448683370000000 ] mass: 28.085500 reduced_to: 41 - symbol: Si # 42 coordinates: [ 0.060689670000000, 0.966983950000000, 0.457395930000000 ] mass: 28.085500 reduced_to: 42 - symbol: Si # 43 coordinates: [ 0.002105550000000, 0.544243270000000, 0.958520070000000 ] mass: 28.085500 reduced_to: 43 - symbol: Si # 44 coordinates: [ 0.035733100000000, 0.889910760000000, 0.957884270000000 ] mass: 28.085500 reduced_to: 44 - symbol: Si # 45 coordinates: [ 0.997894450000000, 0.455756730000000, 0.458520070000000 ] mass: 28.085500 reduced_to: 45 - symbol: Si # 46 coordinates: [ 0.535733100000000, 0.610089240000000, 0.957884270000000 ] mass: 28.085500 reduced_to: 46 - symbol: Si # 47 coordinates: [ 0.638251860000000, 0.276761010000000, 0.469088630000000 ] mass: 28.085500 reduced_to: 47 - symbol: Si # 48 coordinates: [ 0.099089530000000, 0.152870790000000, 0.970748270000000 ] mass: 28.085500 reduced_to: 48 - symbol: N # 49 coordinates: [ 0.130193050000000, 0.294499730000000, 0.289954010000000 ] mass: 14.006700 reduced_to: 49 - symbol: N # 50 coordinates: [ 0.085488210000000, 0.226668430000000, 0.802440230000000 ] mass: 14.006700 reduced_to: 50 - symbol: N # 51 coordinates: [ 0.000707220000000, 0.101755870000000, 0.805188870000000 ] mass: 14.006700 reduced_to: 51 - symbol: N # 52 coordinates: [ 0.414511790000000, 0.726668430000000, 0.302440230000000 ] mass: 14.006700 reduced_to: 52 - symbol: N # 53 coordinates: [ 0.704570570000000, 0.532389210000000, 0.425255450000000 ] mass: 14.006700 reduced_to: 53 - symbol: N # 54 coordinates: [ 0.511570450000000, 0.533302170000000, 0.802115350000000 ] mass: 14.006700 reduced_to: 54 - symbol: N # 55 coordinates: [ 0.930328570000000, 0.314646850000000, 0.987834070000000 ] mass: 14.006700 reduced_to: 55 - symbol: N # 56 coordinates: [ 0.011570450000000, 0.966697830000000, 0.802115350000000 ] mass: 14.006700 reduced_to: 56 - symbol: N # 57 coordinates: [ 0.346231430000000, 0.857651720000000, 0.296769800000000 ] mass: 14.006700 reduced_to: 57 - symbol: N # 58 coordinates: [ 0.569671430000000, 0.814646850000000, 0.487834070000000 ] mass: 14.006700 reduced_to: 58 - symbol: N # 59 coordinates: [ 0.653768570000000, 0.142348280000000, 0.796769800000000 ] mass: 14.006700 reduced_to: 59 - symbol: N # 60 coordinates: [ 0.721832980000000, 0.792594450000000, 0.984913080000000 ] mass: 14.006700 reduced_to: 60 - symbol: N # 61 coordinates: [ 0.943920460000000, 0.520825780000000, 0.275125680000000 ] mass: 14.006700 reduced_to: 61 - symbol: N # 62 coordinates: [ 0.846231430000000, 0.642348280000000, 0.296769800000000 ] mass: 14.006700 reduced_to: 62 - symbol: N # 63 coordinates: [ 0.056079540000000, 0.479174220000000, 0.775125680000000 ] mass: 14.006700 reduced_to: 63 - symbol: N # 64 coordinates: [ 0.109844840000000, 0.594427160000000, 0.992505780000000 ] mass: 14.006700 reduced_to: 64 - symbol: N # 65 coordinates: [ 0.731389160000000, 0.376121910000000, 0.980760930000000 ] mass: 14.006700 reduced_to: 65 - symbol: N # 66 coordinates: [ 0.550605280000000, 0.332839840000000, 0.299874010000000 ] mass: 14.006700 reduced_to: 66 - symbol: N # 67 coordinates: [ 0.500707220000000, 0.398244130000000, 0.805188870000000 ] mass: 14.006700 reduced_to: 67 - symbol: N # 68 coordinates: [ 0.778167020000000, 0.292594450000000, 0.484913080000000 ] mass: 14.006700 reduced_to: 68 - symbol: N # 69 coordinates: [ 0.879809990000000, 0.573381650000000, 0.787612200000000 ] mass: 14.006700 reduced_to: 69 - symbol: N # 70 coordinates: [ 0.670955640000000, 0.631971770000000, 0.909797730000000 ] mass: 14.006700 reduced_to: 70 - symbol: N # 71 coordinates: [ 0.556079540000000, 0.020825780000000, 0.775125680000000 ] mass: 14.006700 reduced_to: 71 - symbol: N # 72 coordinates: [ 0.609844840000000, 0.905572840000000, 0.992505780000000 ] mass: 14.006700 reduced_to: 72 - symbol: N # 73 coordinates: [ 0.949394720000000, 0.832839840000000, 0.799874010000000 ] mass: 14.006700 reduced_to: 73 - symbol: N # 74 coordinates: [ 0.390155160000000, 0.094427160000000, 0.492505780000000 ] mass: 14.006700 reduced_to: 74 - symbol: N # 75 coordinates: [ 0.620190010000000, 0.073381650000000, 0.287612200000000 ] mass: 14.006700 reduced_to: 75 - symbol: N # 76 coordinates: [ 0.499292780000000, 0.601755870000000, 0.305188870000000 ] mass: 14.006700 reduced_to: 76 - symbol: N # 77 coordinates: [ 0.329044360000000, 0.368028230000000, 0.409797730000000 ] mass: 14.006700 reduced_to: 77 - symbol: N # 78 coordinates: [ 0.221832980000000, 0.707405550000000, 0.984913080000000 ] mass: 14.006700 reduced_to: 78 - symbol: N # 79 coordinates: [ 0.170955640000000, 0.868028230000000, 0.909797730000000 ] mass: 14.006700 reduced_to: 79 - symbol: N # 80 coordinates: [ 0.430328570000000, 0.185353150000000, 0.987834070000000 ] mass: 14.006700 reduced_to: 80 - symbol: N # 81 coordinates: [ 0.630193050000000, 0.205500270000000, 0.289954010000000 ] mass: 14.006700 reduced_to: 81 - symbol: N # 82 coordinates: [ 0.795429430000000, 0.032389210000000, 0.925255450000000 ] mass: 14.006700 reduced_to: 82 - symbol: N # 83 coordinates: [ 0.443920460000000, 0.979174220000000, 0.275125680000000 ] mass: 14.006700 reduced_to: 83 - symbol: N # 84 coordinates: [ 0.914511790000000, 0.773331570000000, 0.302440230000000 ] mass: 14.006700 reduced_to: 84 - symbol: N # 85 coordinates: [ 0.829044360000000, 0.131971770000000, 0.409797730000000 ] mass: 14.006700 reduced_to: 85 - symbol: N # 86 coordinates: [ 0.585488210000000, 0.273331570000000, 0.802440230000000 ] mass: 14.006700 reduced_to: 86 - symbol: N # 87 coordinates: [ 0.449394720000000, 0.667160160000000, 0.799874010000000 ] mass: 14.006700 reduced_to: 87 - symbol: N # 88 coordinates: [ 0.050605280000000, 0.167160160000000, 0.299874010000000 ] mass: 14.006700 reduced_to: 88 - symbol: N # 89 coordinates: [ 0.268610840000000, 0.623878090000000, 0.480760930000000 ] mass: 14.006700 reduced_to: 89 - symbol: N # 90 coordinates: [ 0.204570570000000, 0.967610790000000, 0.425255450000000 ] mass: 14.006700 reduced_to: 90 - symbol: N # 91 coordinates: [ 0.153768570000000, 0.357651720000000, 0.796769800000000 ] mass: 14.006700 reduced_to: 91 - symbol: N # 92 coordinates: [ 0.379809990000000, 0.926618350000000, 0.787612200000000 ] mass: 14.006700 reduced_to: 92 - symbol: N # 93 coordinates: [ 0.278167020000000, 0.207405550000000, 0.484913080000000 ] mass: 14.006700 reduced_to: 93 - symbol: N # 94 coordinates: [ 0.869806950000000, 0.705500270000000, 0.789954010000000 ] mass: 14.006700 reduced_to: 94 - symbol: N # 95 coordinates: [ 0.069671430000000, 0.685353150000000, 0.487834070000000 ] mass: 14.006700 reduced_to: 95 - symbol: N # 96 coordinates: [ 0.369806950000000, 0.794499730000000, 0.789954010000000 ] mass: 14.006700 reduced_to: 96 - symbol: N # 97 coordinates: [ 0.120190010000000, 0.426618350000000, 0.287612200000000 ] mass: 14.006700 reduced_to: 97 - symbol: N # 98 coordinates: [ 0.768610840000000, 0.876121910000000, 0.480760930000000 ] mass: 14.006700 reduced_to: 98 - symbol: N # 99 coordinates: [ 0.988429550000000, 0.033302170000000, 0.302115350000000 ] mass: 14.006700 reduced_to: 99 - symbol: N # 100 coordinates: [ 0.999292780000000, 0.898244130000000, 0.305188870000000 ] mass: 14.006700 reduced_to: 100 - symbol: N # 101 coordinates: [ 0.890155160000000, 0.405572840000000, 0.492505780000000 ] mass: 14.006700 reduced_to: 101 - symbol: N # 102 coordinates: [ 0.231389160000000, 0.123878090000000, 0.980760930000000 ] mass: 14.006700 reduced_to: 102 - symbol: N # 103 coordinates: [ 0.488429550000000, 0.466697830000000, 0.302115350000000 ] mass: 14.006700 reduced_to: 103 - symbol: N # 104 coordinates: [ 0.295429430000000, 0.467610790000000, 0.925255450000000 ] mass: 14.006700 reduced_to: 104displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0572011000000000, 0.0089572800000000, 0.0050560900000000 ] - [ -0.0001041300000000, -0.0001210000000000, -0.0000115600000000 ] - [ -0.0012162400000000, 0.0009315600000000, -0.0001175200000000 ] - [ 0.0006028400000000, -0.0003280700000000, -0.0000913500000000 ] - [ 0.0048563000000000, 0.0005350600000000, -0.0001112100000000 ] - [ 0.0001151000000000, 0.0000392100000000, -0.0000098300000000 ] - [ -0.0007151200000000, 0.0007493000000000, -0.0000686700000000 ] - [ 0.0013884100000000, -0.0015576000000000, -0.0003475700000000 ] - [ 0.0021824400000000, -0.0011947900000000, 0.0008277400000000 ] - [ -0.0036535600000000, 0.0086639600000000, 0.0009898000000000 ] - [ 0.0021425200000000, -0.0010696500000000, -0.0007884800000000 ] - [ 0.0001123300000000, -0.0001453300000000, 0.0000216000000000 ] - [ -0.0040301400000000, 0.0069449300000000, -0.0010836300000000 ] - [ 0.0000564900000000, -0.0001407900000000, -0.0000004000000000 ] - [ -0.0001536800000000, -0.0000285900000000, 0.0000132600000000 ] - [ -0.0000778200000000, -0.0000344000000000, 0.0000025100000000 ] - [ 0.0036568700000000, -0.0074064100000000, 0.0027299600000000 ] - [ -0.0002627100000000, 0.0010889200000000, -0.0000558000000000 ] - [ 0.0005206400000000, 0.0002973400000000, -0.0000248500000000 ] - [ 0.0037685600000000, 0.0020898700000000, 0.0001008800000000 ] - [ 0.0000801200000000, -0.0005015100000000, -0.0000413200000000 ] - [ -0.0000169000000000, 0.0004123300000000, -0.0000283100000000 ] - [ 0.0084241000000000, 0.0047168400000000, -0.0004096800000000 ] - [ -0.0006475600000000, -0.0002522300000000, 0.0000004200000000 ] - [ 0.0024343600000000, 0.0014634200000000, 0.0000678200000000 ] - [ 0.0000519700000000, -0.0013861300000000, -0.0002238800000000 ] - [ 0.0197923300000000, -0.0030025900000000, 0.0000135800000000 ] - [ -0.0003994100000000, -0.0002880900000000, -0.0002329100000000 ] - [ -0.0037565500000000, -0.0014233700000000, -0.0001772600000000 ] - [ 0.0084711700000000, 0.0018847800000000, 0.0007644200000000 ] - [ 0.0001251000000000, 0.0000936400000000, -0.0000349200000000 ] - [ -0.0081641100000000, -0.0094431300000000, 0.0011963500000000 ] - [ 0.0159282800000000, -0.0094436300000000, -0.0017940500000000 ] - [ -0.0111378300000000, -0.0113676000000000, -0.0027004700000000 ] - [ 0.0003636900000000, 0.0002290000000000, -0.0002176200000000 ] - [ 0.0023120800000000, 0.0010614400000000, -0.0003016700000000 ] - [ -0.0000861000000000, -0.0001583000000000, -0.0000332400000000 ] - [ 0.0008582100000000, -0.0023134400000000, -0.0001423100000000 ] - [ 0.0000224600000000, 0.0003354800000000, 0.0000109500000000 ] - [ -0.0003978200000000, -0.0011978500000000, 0.0004376000000000 ] - [ 0.0053518400000000, 0.0014125900000000, 0.0000439500000000 ] - [ 0.0007072800000000, 0.0115156900000000, 0.0060979900000000 ] - [ 0.0000452100000000, -0.0000361800000000, -0.0000533300000000 ] - [ 0.0010188000000000, 0.0145164100000000, -0.0011130100000000 ] - [ -0.0001502700000000, -0.0000917400000000, -0.0000390300000000 ] - [ 0.0002333500000000, -0.0004888200000000, 0.0000042800000000 ] - [ 0.0005741300000000, 0.0005898600000000, 0.0000601500000000 ] - [ -0.0059079600000000, -0.0099420600000000, -0.0015514900000000 ] - [ 0.0005865700000000, 0.0006911700000000, 0.0002042300000000 ] - [ 0.0014954200000000, 0.0017443000000000, 0.0000725900000000 ] - [ -0.0045202900000000, 0.0073919300000000, -0.0014624600000000 ] - [ 0.0001782800000000, 0.0009694600000000, 0.0003182000000000 ] - [ 0.0000396400000000, -0.0000621800000000, -0.0000425600000000 ] - [ -0.0001184500000000, 0.0001690900000000, -0.0000182600000000 ] - [ -0.0001686200000000, 0.0004396800000000, 0.0000870000000000 ] - [ 0.0051513800000000, -0.0021746100000000, 0.0000467700000000 ] - [ 0.0030888300000000, 0.0021187900000000, 0.0007602700000000 ] - [ -0.0009806300000000, 0.0007799000000000, 0.0000563700000000 ] - [ -0.0028172600000000, -0.0008562200000000, 0.0004173500000000 ] - [ -0.0015321200000000, 0.0007045800000000, 0.0000817700000000 ] - [ 0.0000550600000000, -0.0000274900000000, -0.0001117400000000 ] - [ 0.0000134600000000, -0.0002881500000000, -0.0000105400000000 ] - [ -0.0000209400000000, 0.0001105400000000, -0.0000801500000000 ] - [ 0.0001649900000000, -0.0000678100000000, 0.0000394700000000 ] - [ -0.0005026300000000, 0.0003218900000000, 0.0000577400000000 ] - [ -0.0003330100000000, -0.0002696300000000, 0.0002721800000000 ] - [ -0.0002826600000000, -0.0002282200000000, -0.0000859400000000 ] - [ -0.0007518300000000, 0.0001057600000000, 0.0000658700000000 ] - [ 0.0002303200000000, -0.0001117600000000, 0.0000608900000000 ] - [ -0.0000147100000000, -0.0003610500000000, -0.0001988700000000 ] - [ -0.0076216500000000, -0.0019610000000000, -0.0005678500000000 ] - [ -0.0034953300000000, 0.0028945200000000, 0.0004582200000000 ] - [ -0.0010551700000000, -0.0029972500000000, 0.0004145600000000 ] - [ -0.0004351400000000, -0.0070141300000000, 0.0016325300000000 ] - [ -0.0055556900000000, -0.0021797300000000, 0.0007595400000000 ] - [ 0.0001661000000000, 0.0003228700000000, -0.0000811500000000 ] - [ -0.0000338400000000, 0.0002696700000000, -0.0002297200000000 ] - [ 0.0008213300000000, 0.0001398400000000, -0.0000388400000000 ] - [ 0.0089208100000000, -0.0023028200000000, -0.0006038100000000 ] - [ 0.0002238600000000, -0.0024178200000000, 0.0000786400000000 ] - [ -0.0016781500000000, -0.0006070400000000, -0.0003780500000000 ] - [ -0.0085601000000000, 0.0008689500000000, -0.0003794300000000 ] - [ -0.0038122200000000, 0.0019558800000000, -0.0048503300000000 ] - [ -0.0005528300000000, -0.0011780000000000, 0.0001077200000000 ] - [ -0.0058418400000000, 0.0014200400000000, -0.0010458400000000 ] - [ -0.0007015500000000, -0.0008221500000000, 0.0004517800000000 ] - [ 0.0000662200000000, 0.0005344400000000, 0.0002789900000000 ] - [ 0.0021541000000000, 0.0031090500000000, -0.0000179500000000 ] - [ 0.0004334600000000, -0.0002153900000000, 0.0000734400000000 ] - [ 0.0194038700000000, -0.0009473000000000, -0.0013251000000000 ] - [ 0.0001238300000000, 0.0004124600000000, -0.0000154600000000 ] - [ 0.0172742800000000, -0.0052009500000000, -0.0042845500000000 ] - [ 0.0030496000000000, -0.0019600000000000, -0.0000156300000000 ] - [ -0.0002573800000000, -0.0007464400000000, 0.0000224500000000 ] - [ 0.0003353800000000, -0.0002016200000000, 0.0000534300000000 ] - [ 0.0013044600000000, 0.0025167000000000, -0.0004924400000000 ] - [ -0.0001844000000000, 0.0001426500000000, 0.0000535800000000 ] - [ -0.0024214200000000, 0.0000586000000000, 0.0000962000000000 ] - [ -0.0062966400000000, 0.0022131700000000, 0.0032706100000000 ] - [ 0.0006575100000000, -0.0033157200000000, -0.0003215500000000 ] - [ -0.0000690700000000, 0.0002360200000000, 0.0000375800000000 ] - [ 0.0065199700000000, 0.0007011000000000, -0.0002481600000000 ] - [ 0.0000811200000000, -0.0000894900000000, -0.0000165500000000 ] - [ -0.0000422500000000, 0.0000953300000000, -0.0000409900000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0573431800000000, -0.0080703700000000, -0.0046050900000000 ] - [ 0.0001040700000000, -0.0000106200000000, -0.0000084400000000 ] - [ 0.0013814400000000, -0.0007823800000000, -0.0001356600000000 ] - [ -0.0004465200000000, 0.0001801800000000, -0.0001607200000000 ] - [ -0.0048545200000000, -0.0004174400000000, 0.0000913600000000 ] - [ -0.0001156100000000, 0.0000892400000000, -0.0000099900000000 ] - [ 0.0005515000000000, -0.0006136100000000, -0.0001831100000000 ] - [ -0.0015445800000000, 0.0014234700000000, 0.0000977400000000 ] - [ -0.0017641800000000, 0.0012863800000000, -0.0009910200000000 ] - [ 0.0031656100000000, -0.0087639900000000, -0.0011461800000000 ] - [ -0.0018546600000000, 0.0011573100000000, 0.0009901400000000 ] - [ -0.0004037800000000, 0.0002375100000000, 0.0001824100000000 ] - [ 0.0036817500000000, -0.0070514800000000, 0.0012742800000000 ] - [ -0.0004761100000000, 0.0002360600000000, -0.0001650200000000 ] - [ 0.0004480900000000, -0.0000639900000000, 0.0001926000000000 ] - [ 0.0005003700000000, -0.0000614500000000, -0.0001698600000000 ] - [ -0.0034407200000000, 0.0069062100000000, -0.0027991700000000 ] - [ 0.0001205500000000, -0.0006466500000000, 0.0001302900000000 ] - [ -0.0003121600000000, -0.0002502300000000, 0.0001291500000000 ] - [ -0.0031812000000000, -0.0023518300000000, -0.0003006500000000 ] - [ 0.0005179000000000, 0.0007580600000000, -0.0001624700000000 ] - [ 0.0002238000000000, 0.0001381700000000, -0.0000213100000000 ] - [ -0.0086700200000000, -0.0046549400000000, 0.0002941800000000 ] - [ 0.0004372300000000, 0.0001952900000000, 0.0001038300000000 ] - [ -0.0023097300000000, -0.0010081000000000, 0.0000082600000000 ] - [ 0.0000961900000000, 0.0009313800000000, 0.0002960000000000 ] - [ -0.0194659900000000, 0.0029150900000000, -0.0001404600000000 ] - [ 0.0000066500000000, 0.0000785400000000, -0.0001456300000000 ] - [ 0.0033919300000000, 0.0012058900000000, 0.0004845400000000 ] - [ -0.0088526500000000, -0.0016501200000000, -0.0011238900000000 ] - [ 0.0004526800000000, 0.0000166500000000, -0.0000768100000000 ] - [ 0.0083693300000000, 0.0094167300000000, -0.0010942500000000 ] - [ -0.0155105700000000, 0.0092708200000000, 0.0017269400000000 ] - [ 0.0114256500000000, 0.0111384600000000, 0.0023210900000000 ] - [ 0.0000295500000000, -0.0000256800000000, -0.0001609400000000 ] - [ -0.0019267500000000, -0.0008541500000000, 0.0006049600000000 ] - [ -0.0004941800000000, 0.0000448400000000, -0.0000787100000000 ] - [ -0.0010047100000000, 0.0018725800000000, 0.0002191200000000 ] - [ -0.0006212700000000, -0.0005908300000000, -0.0002140800000000 ] - [ 0.0007863900000000, 0.0009872200000000, -0.0001360100000000 ] - [ -0.0055750400000000, -0.0013487100000000, 0.0000601500000000 ] - [ -0.0012654200000000, -0.0114907200000000, -0.0062435200000000 ] - [ 0.0001919500000000, 0.0000515000000000, -0.0000270300000000 ] - [ -0.0012557000000000, -0.0140732400000000, 0.0010555200000000 ] - [ -0.0000841200000000, 0.0000722700000000, -0.0000412000000000 ] - [ -0.0004451500000000, -0.0000645100000000, -0.0000540400000000 ] - [ -0.0009649300000000, -0.0003726600000000, 0.0002438200000000 ] - [ 0.0054381600000000, 0.0102337100000000, 0.0013582900000000 ] - [ -0.0010919500000000, -0.0004561100000000, -0.0004559300000000 ] - [ -0.0018085000000000, -0.0015347300000000, 0.0004013700000000 ] - [ 0.0039111700000000, -0.0073227500000000, 0.0013167500000000 ] - [ 0.0001101600000000, -0.0007686100000000, 0.0001605400000000 ] - [ 0.0004723000000000, -0.0000354200000000, -0.0000568600000000 ] - [ 0.0000039700000000, 0.0000010400000000, -0.0000317700000000 ] - [ 0.0000933400000000, -0.0006897300000000, -0.0000129400000000 ] - [ -0.0057579500000000, 0.0018628400000000, -0.0002306900000000 ] - [ -0.0026632100000000, -0.0021774100000000, -0.0007638200000000 ] - [ 0.0010576200000000, -0.0010307900000000, 0.0000147500000000 ] - [ 0.0024073200000000, 0.0008933700000000, -0.0004193600000000 ] - [ 0.0017325200000000, -0.0007561600000000, 0.0000864000000000 ] - [ 0.0000609900000000, -0.0000422300000000, -0.0000896500000000 ] - [ 0.0004049800000000, 0.0003450200000000, 0.0000105800000000 ] - [ -0.0000972100000000, -0.0000369100000000, -0.0001209200000000 ] - [ -0.0001286600000000, -0.0001870000000000, 0.0000310000000000 ] - [ 0.0002957200000000, 0.0003935800000000, 0.0001079900000000 ] - [ -0.0000352000000000, 0.0001900800000000, 0.0003607800000000 ] - [ -0.0003160400000000, 0.0000866300000000, -0.0000787800000000 ] - [ 0.0005521000000000, -0.0001638800000000, 0.0001023700000000 ] - [ 0.0003420900000000, 0.0000949800000000, 0.0000650400000000 ] - [ 0.0007659300000000, -0.0003653800000000, -0.0001747700000000 ] - [ 0.0074557300000000, 0.0018809100000000, 0.0003826200000000 ] - [ 0.0035385100000000, -0.0026276200000000, -0.0003867700000000 ] - [ 0.0014296100000000, 0.0029257900000000, 0.0002174800000000 ] - [ 0.0004740100000000, 0.0067388500000000, -0.0015785700000000 ] - [ 0.0049910700000000, 0.0021477400000000, -0.0006386900000000 ] - [ 0.0004344900000000, -0.0001800500000000, -0.0000836300000000 ] - [ -0.0007132400000000, 0.0004620800000000, -0.0001433900000000 ] - [ -0.0006239400000000, -0.0000847600000000, 0.0002079500000000 ] - [ -0.0082022600000000, 0.0030348600000000, 0.0002267100000000 ] - [ -0.0002589100000000, 0.0026714600000000, -0.0000077000000000 ] - [ 0.0011858200000000, 0.0003676400000000, 0.0001303900000000 ] - [ 0.0080490900000000, -0.0009669700000000, 0.0002798400000000 ] - [ 0.0040328400000000, -0.0019048500000000, 0.0046542900000000 ] - [ 0.0008413000000000, 0.0009826800000000, 0.0003712500000000 ] - [ 0.0051038700000000, -0.0021629000000000, 0.0006783600000000 ] - [ 0.0004181100000000, 0.0006179900000000, 0.0000256200000000 ] - [ 0.0003049300000000, -0.0004561700000000, 0.0003537000000000 ] - [ -0.0025598600000000, -0.0030476300000000, 0.0006613500000000 ] - [ -0.0002271800000000, -0.0004990300000000, 0.0000924600000000 ] - [ -0.0188533200000000, 0.0010802600000000, 0.0012035000000000 ] - [ -0.0005421600000000, -0.0004626300000000, 0.0000156300000000 ] - [ -0.0162990500000000, 0.0047902200000000, 0.0042311400000000 ] - [ -0.0032456300000000, 0.0020309300000000, 0.0001818600000000 ] - [ 0.0007592300000000, 0.0005199200000000, -0.0002721500000000 ] - [ -0.0002682100000000, 0.0004537500000000, 0.0000195800000000 ] - [ -0.0008071100000000, -0.0022931900000000, 0.0002437700000000 ] - [ -0.0003894700000000, -0.0001212800000000, 0.0000720200000000 ] - [ 0.0026308600000000, 0.0006607400000000, 0.0000686200000000 ] - [ 0.0064239900000000, -0.0020727900000000, -0.0033699300000000 ] - [ -0.0000632500000000, 0.0031888400000000, 0.0001502300000000 ] - [ 0.0000311400000000, 0.0000203900000000, 0.0000331500000000 ] - [ -0.0067536600000000, -0.0015484300000000, 0.0003793400000000 ] - [ 0.0000355600000000, -0.0000779200000000, -0.0000330700000000 ] - [ -0.0004681200000000, 0.0000048900000000, -0.0000584200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0082726100000000, -0.1157165600000000, -0.0072718900000000 ] - [ 0.0000554100000000, 0.0027676300000000, 0.0000955400000000 ] - [ 0.0012395400000000, 0.0038726400000000, 0.0003545400000000 ] - [ -0.0003176800000000, 0.0017252600000000, -0.0001375500000000 ] - [ 0.0004804800000000, -0.0046232100000000, 0.0003903400000000 ] - [ 0.0000248400000000, 0.0024684100000000, -0.0001016900000000 ] - [ 0.0005150100000000, 0.0039026400000000, -0.0001050300000000 ] - [ -0.0017496700000000, 0.0002340200000000, -0.0001070000000000 ] - [ -0.0002673800000000, -0.0002161400000000, 0.0002478200000000 ] - [ 0.0090722600000000, 0.0127021000000000, -0.0060968000000000 ] - [ -0.0004927900000000, -0.0004014100000000, -0.0002763000000000 ] - [ -0.0004307800000000, 0.0015444900000000, 0.0005962200000000 ] - [ 0.0073879200000000, 0.0093633300000000, 0.0061040700000000 ] - [ -0.0004805200000000, 0.0015499700000000, -0.0005942700000000 ] - [ 0.0006467200000000, 0.0021240400000000, 0.0001326800000000 ] - [ 0.0006853700000000, 0.0021388800000000, -0.0001009900000000 ] - [ -0.0045303100000000, -0.0061307100000000, -0.0035777100000000 ] - [ 0.0008272900000000, 0.0027282300000000, 0.0000743400000000 ] - [ 0.0003039800000000, 0.0024389300000000, 0.0000845800000000 ] - [ 0.0026961500000000, 0.0008714800000000, 0.0004673000000000 ] - [ -0.0000164700000000, 0.0032884400000000, -0.0001440800000000 ] - [ 0.0008572500000000, 0.0030520700000000, -0.0000254300000000 ] - [ 0.0065451200000000, -0.0158478900000000, -0.0020124000000000 ] - [ 0.0002713800000000, 0.0036666300000000, 0.0000465400000000 ] - [ 0.0057688300000000, 0.0008753100000000, -0.0006523700000000 ] - [ -0.0007531700000000, 0.0042193500000000, 0.0004929500000000 ] - [ -0.0016645100000000, -0.0142209200000000, -0.0005978100000000 ] - [ -0.0001770600000000, 0.0031926700000000, -0.0001691700000000 ] - [ -0.0026397200000000, 0.0042223800000000, -0.0007154000000000 ] - [ -0.0004031300000000, -0.0040539000000000, -0.0009701200000000 ] - [ 0.0009335700000000, 0.0029289800000000, -0.0001122200000000 ] - [ -0.0102105900000000, 0.0184756000000000, -0.0004196500000000 ] - [ -0.0112187500000000, -0.0073776900000000, -0.0021594200000000 ] - [ -0.0110017500000000, 0.0010553000000000, 0.0046337800000000 ] - [ 0.0001736000000000, 0.0027194000000000, -0.0001319300000000 ] - [ 0.0013711700000000, 0.0026027600000000, -0.0000583500000000 ] - [ 0.0000218900000000, 0.0028607900000000, -0.0000446700000000 ] - [ -0.0033571200000000, 0.0035040700000000, 0.0006245500000000 ] - [ -0.0003120700000000, 0.0020511400000000, -0.0000545000000000 ] - [ -0.0005062300000000, 0.0036803400000000, -0.0003618500000000 ] - [ -0.0006048900000000, -0.0018897800000000, -0.0001063200000000 ] - [ 0.0130212900000000, -0.0095567400000000, 0.0030025800000000 ] - [ 0.0003112700000000, 0.0031303700000000, 0.0001775200000000 ] - [ 0.0162786200000000, 0.0031708900000000, 0.0001346100000000 ] - [ -0.0004446800000000, 0.0029189000000000, -0.0001240100000000 ] - [ -0.0006446200000000, 0.0027137200000000, -0.0001253400000000 ] - [ 0.0000400600000000, 0.0011947200000000, -0.0002433600000000 ] - [ -0.0158736200000000, 0.0151767500000000, 0.0001882400000000 ] - [ 0.0000479900000000, -0.0033698100000000, 0.0002438000000000 ] - [ 0.0022626400000000, -0.0044674400000000, 0.0002976100000000 ] - [ 0.0093272600000000, 0.0036292900000000, 0.0019877100000000 ] - [ 0.0006476100000000, -0.0029179200000000, 0.0003708900000000 ] - [ -0.0000610200000000, -0.0016283900000000, -0.0000880900000000 ] - [ -0.0005368800000000, -0.0026402600000000, -0.0000010100000000 ] - [ 0.0013591100000000, -0.0020765000000000, -0.0001132100000000 ] - [ -0.0047780600000000, 0.0102996100000000, 0.0004119600000000 ] - [ 0.0027379200000000, -0.0019505600000000, 0.0010116500000000 ] - [ 0.0018908600000000, -0.0007874400000000, -0.0001481800000000 ] - [ -0.0014875200000000, 0.0026023800000000, -0.0000003700000000 ] - [ -0.0001763400000000, -0.0006625500000000, 0.0000992900000000 ] - [ 0.0005315400000000, -0.0022878700000000, 0.0003006400000000 ] - [ -0.0002360400000000, -0.0022348200000000, -0.0000766500000000 ] - [ 0.0005191200000000, -0.0024377700000000, -0.0005194700000000 ] - [ -0.0010412000000000, -0.0029395600000000, 0.0000194600000000 ] - [ 0.0000219300000000, -0.0014518300000000, 0.0000983900000000 ] - [ -0.0000641500000000, -0.0015868400000000, 0.0003607700000000 ] - [ -0.0001354300000000, -0.0022978000000000, -0.0002065900000000 ] - [ -0.0003105500000000, -0.0010947900000000, 0.0002381400000000 ] - [ 0.0005550000000000, -0.0020146400000000, -0.0001745100000000 ] - [ 0.0002667200000000, -0.0020007500000000, -0.0000968400000000 ] - [ 0.0012643700000000, 0.0068269800000000, -0.0008688000000000 ] - [ 0.0022995600000000, 0.0020097700000000, 0.0005185900000000 ] - [ -0.0031529300000000, -0.0013314200000000, -0.0005005100000000 ] - [ -0.0101297000000000, 0.0046508800000000, 0.0024425500000000 ] - [ -0.0011976500000000, 0.0043228500000000, 0.0013380600000000 ] - [ 0.0010339600000000, -0.0025068400000000, -0.0000152000000000 ] - [ -0.0012702900000000, -0.0020168500000000, -0.0003605300000000 ] - [ -0.0002935200000000, -0.0029765100000000, 0.0001455600000000 ] - [ -0.0045106100000000, -0.0083572900000000, -0.0011623500000000 ] - [ -0.0067676300000000, -0.0039578200000000, 0.0001522900000000 ] - [ -0.0014559000000000, 0.0000651900000000, -0.0007736400000000 ] - [ -0.0010636700000000, 0.0041890000000000, 0.0002958100000000 ] - [ 0.0055226900000000, 0.0103533900000000, 0.0021677600000000 ] - [ -0.0006962900000000, -0.0018636600000000, 0.0003067700000000 ] - [ 0.0019205200000000, 0.0015861700000000, 0.0008442500000000 ] - [ -0.0013223600000000, -0.0019977400000000, 0.0006801000000000 ] - [ 0.0013770300000000, -0.0025396500000000, 0.0001663500000000 ] - [ 0.0045217200000000, -0.0003814100000000, -0.0015666800000000 ] - [ 0.0000830500000000, -0.0026880500000000, 0.0000658300000000 ] - [ -0.0022863300000000, 0.0145018500000000, -0.0062486200000000 ] - [ -0.0004846000000000, -0.0031658300000000, -0.0000044800000000 ] - [ -0.0012685200000000, 0.0108570900000000, 0.0029815800000000 ] - [ -0.0005727000000000, -0.0042040800000000, 0.0003297100000000 ] - [ -0.0002477000000000, -0.0022714400000000, -0.0000346800000000 ] - [ -0.0003918600000000, -0.0020150500000000, 0.0000369300000000 ] - [ 0.0021761600000000, -0.0040633400000000, -0.0004841800000000 ] - [ 0.0001710900000000, -0.0024235100000000, 0.0003048100000000 ] - [ -0.0008182400000000, 0.0019143400000000, -0.0000100800000000 ] - [ -0.0000831900000000, 0.0097905300000000, -0.0012753600000000 ] - [ -0.0032519900000000, 0.0012470900000000, 0.0011839400000000 ] - [ -0.0004435400000000, -0.0020837300000000, 0.0000200100000000 ] - [ 0.0017458600000000, 0.0463057400000000, 0.0051074900000000 ] - [ -0.0006321500000000, -0.0027671600000000, -0.0000318800000000 ] - [ -0.0008193100000000, -0.0017908700000000, -0.0000173500000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0087545600000000, 0.1134646200000000, 0.0070882700000000 ] - [ -0.0000553600000000, -0.0028899300000000, -0.0001153300000000 ] - [ -0.0010852500000000, -0.0037230900000000, -0.0006032500000000 ] - [ 0.0004760800000000, -0.0018627900000000, -0.0001145300000000 ] - [ -0.0004723900000000, 0.0047421800000000, -0.0004073200000000 ] - [ -0.0000247800000000, -0.0023314600000000, 0.0000812900000000 ] - [ -0.0006752100000000, -0.0037465300000000, -0.0001464600000000 ] - [ 0.0015839800000000, -0.0003860400000000, -0.0001452000000000 ] - [ 0.0006880600000000, 0.0003187100000000, -0.0004144700000000 ] - [ -0.0093807400000000, -0.0126124300000000, 0.0058504400000000 ] - [ 0.0007835100000000, 0.0005007500000000, 0.0004813600000000 ] - [ 0.0001362000000000, -0.0014500900000000, -0.0003884800000000 ] - [ -0.0076122200000000, -0.0093403500000000, -0.0058270600000000 ] - [ 0.0000580300000000, -0.0014525300000000, 0.0004251800000000 ] - [ -0.0003533100000000, -0.0022105200000000, 0.0000722700000000 ] - [ -0.0002637800000000, -0.0022287300000000, -0.0000653500000000 ] - [ 0.0047177300000000, 0.0055058800000000, 0.0035006900000000 ] - [ -0.0009740300000000, -0.0022688600000000, -0.0000008700000000 ] - [ -0.0000937000000000, -0.0023791200000000, 0.0000193300000000 ] - [ -0.0020937800000000, -0.0011108100000000, -0.0006719300000000 ] - [ 0.0006145100000000, -0.0030246300000000, -0.0000598800000000 ] - [ -0.0006434200000000, -0.0024926400000000, -0.0000246000000000 ] - [ -0.0067717500000000, 0.0157642400000000, 0.0019206400000000 ] - [ -0.0004813600000000, -0.0037062800000000, 0.0000577800000000 ] - [ -0.0055822500000000, -0.0004334200000000, 0.0007226400000000 ] - [ 0.0008939400000000, -0.0046552300000000, -0.0004182700000000 ] - [ 0.0023165400000000, 0.0140110500000000, 0.0005051200000000 ] - [ -0.0002162300000000, -0.0033889100000000, -0.0002092800000000 ] - [ 0.0022349300000000, -0.0044113100000000, 0.0010122300000000 ] - [ 0.0000091000000000, 0.0042317100000000, 0.0005850100000000 ] - [ -0.0003529800000000, -0.0028091200000000, -0.0000000500000000 ] - [ 0.0105591900000000, -0.0188015200000000, 0.0005071800000000 ] - [ 0.0114052700000000, 0.0073845300000000, 0.0020894400000000 ] - [ 0.0113945400000000, -0.0011317500000000, -0.0050071200000000 ] - [ 0.0002193900000000, -0.0025051000000000, -0.0002466900000000 ] - [ -0.0009812600000000, -0.0023817100000000, 0.0003620100000000 ] - [ -0.0005983900000000, -0.0029645500000000, -0.0000671200000000 ] - [ 0.0032283900000000, -0.0039392700000000, -0.0005433800000000 ] - [ -0.0002853000000000, -0.0023023300000000, -0.0001484500000000 ] - [ 0.0008920300000000, -0.0038869400000000, 0.0006643600000000 ] - [ 0.0003977100000000, 0.0019234000000000, 0.0002102800000000 ] - [ -0.0134710200000000, 0.0097760200000000, -0.0030902600000000 ] - [ -0.0000763200000000, -0.0031047700000000, -0.0002570900000000 ] - [ -0.0166386500000000, -0.0026325400000000, -0.0001841000000000 ] - [ 0.0002065500000000, -0.0029281800000000, 0.0000436400000000 ] - [ 0.0004368900000000, -0.0032575900000000, 0.0000755200000000 ] - [ -0.0004251000000000, -0.0009846800000000, 0.0005423500000000 ] - [ 0.0151332900000000, -0.0146890000000000, -0.0003726000000000 ] - [ -0.0005453000000000, 0.0035890700000000, -0.0004905700000000 ] - [ -0.0025498200000000, 0.0046560800000000, 0.0001641800000000 ] - [ -0.0098505500000000, -0.0034271000000000, -0.0021293100000000 ] - [ -0.0003618400000000, 0.0031132000000000, 0.0001068400000000 ] - [ 0.0005707200000000, 0.0015233500000000, -0.0000112600000000 ] - [ 0.0004194600000000, 0.0028016900000000, -0.0000490100000000 ] - [ -0.0014236000000000, 0.0018218500000000, 0.0001868200000000 ] - [ 0.0045858900000000, -0.0105183500000000, -0.0004717800000000 ] - [ -0.0023334300000000, 0.0018876400000000, -0.0010364400000000 ] - [ -0.0018230400000000, 0.0005264600000000, 0.0002195100000000 ] - [ 0.0010606100000000, -0.0025297500000000, 0.0000012700000000 ] - [ 0.0003762000000000, 0.0006005900000000, 0.0000684500000000 ] - [ -0.0004127000000000, 0.0022097000000000, -0.0005007400000000 ] - [ 0.0006529600000000, 0.0022793700000000, 0.0000763400000000 ] - [ -0.0006335900000000, 0.0025024900000000, 0.0003174800000000 ] - [ 0.0010776900000000, 0.0026767100000000, 0.0000512600000000 ] - [ -0.0002273300000000, 0.0021637100000000, 0.0000675800000000 ] - [ -0.0003080500000000, 0.0015055700000000, 0.0002724000000000 ] - [ -0.0004653200000000, 0.0021500000000000, 0.0000409900000000 ] - [ 0.0001116000000000, 0.0010398700000000, -0.0000686100000000 ] - [ 0.0000189000000000, 0.0019894900000000, 0.0002993000000000 ] - [ 0.0004802700000000, 0.0012671400000000, -0.0002764100000000 ] - [ -0.0013673400000000, -0.0068707600000000, 0.0006621300000000 ] - [ -0.0022502600000000, -0.0017586000000000, -0.0004491600000000 ] - [ 0.0035311000000000, 0.0012388100000000, 0.0011346900000000 ] - [ 0.0100211100000000, -0.0048275600000000, -0.0023568600000000 ] - [ 0.0006206500000000, -0.0043143400000000, -0.0012057200000000 ] - [ -0.0004327600000000, 0.0026421200000000, -0.0001493900000000 ] - [ 0.0005183000000000, 0.0027362000000000, -0.0000137700000000 ] - [ 0.0004890300000000, 0.0030259600000000, 0.0000237700000000 ] - [ 0.0052892800000000, 0.0089794600000000, 0.0007975900000000 ] - [ 0.0066478300000000, 0.0041735500000000, -0.0000793500000000 ] - [ 0.0009455300000000, -0.0002871800000000, 0.0005194800000000 ] - [ 0.0005421800000000, -0.0042634800000000, -0.0003976700000000 ] - [ -0.0053535000000000, -0.0102850300000000, -0.0023443200000000 ] - [ 0.0009846700000000, 0.0016498000000000, 0.0001724300000000 ] - [ -0.0026657600000000, -0.0022929000000000, -0.0012107300000000 ] - [ 0.0010260900000000, 0.0017901800000000, -0.0001979100000000 ] - [ -0.0010052900000000, 0.0026132900000000, 0.0004662900000000 ] - [ -0.0048518200000000, 0.0004537700000000, 0.0021826300000000 ] - [ 0.0001225400000000, 0.0019655200000000, 0.0001003100000000 ] - [ 0.0027724100000000, -0.0144430000000000, 0.0061881900000000 ] - [ 0.0000670100000000, 0.0031037000000000, 0.0000037400000000 ] - [ 0.0021940900000000, -0.0111894000000000, -0.0030094000000000 ] - [ 0.0003719600000000, 0.0042320500000000, -0.0001505400000000 ] - [ 0.0007477700000000, 0.0020304000000000, -0.0002153300000000 ] - [ 0.0004655200000000, 0.0022603400000000, 0.0000364600000000 ] - [ -0.0016829800000000, 0.0042863500000000, 0.0002332300000000 ] - [ -0.0007415700000000, 0.0024348900000000, -0.0001786400000000 ] - [ 0.0010211600000000, -0.0012036400000000, 0.0001758800000000 ] - [ 0.0001522100000000, -0.0095606900000000, 0.0012433600000000 ] - [ 0.0038479800000000, -0.0014184400000000, -0.0013643000000000 ] - [ 0.0004049200000000, 0.0023343700000000, 0.0000509600000000 ] - [ -0.0019257300000000, -0.0447389300000000, -0.0046944500000000 ] - [ 0.0007450800000000, 0.0025903800000000, -0.0000179900000000 ] - [ 0.0003060900000000, 0.0018856700000000, -0.0000818100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0049555700000000, -0.0066541000000000, -0.0563542700000000 ] - [ 0.0000013700000000, 0.0000376700000000, -0.0000057300000000 ] - [ 0.0000622700000000, 0.0000883400000000, -0.0000243100000000 ] - [ 0.0000797700000000, -0.0000465800000000, -0.0001181600000000 ] - [ 0.0001010400000000, -0.0003319100000000, 0.0002286600000000 ] - [ -0.0000000200000000, 0.0001540700000000, -0.0000132700000000 ] - [ -0.0000392700000000, 0.0002124300000000, -0.0001442700000000 ] - [ -0.0000335300000000, -0.0001826800000000, -0.0002174300000000 ] - [ 0.0003748700000000, -0.0001247000000000, -0.0001086800000000 ] - [ -0.0013334300000000, -0.0044842100000000, -0.0016204200000000 ] - [ 0.0001848100000000, -0.0000378500000000, 0.0001517500000000 ] - [ -0.0001574800000000, 0.0001074600000000, 0.0001074600000000 ] - [ 0.0024426200000000, 0.0039586000000000, 0.0023289500000000 ] - [ -0.0002238600000000, 0.0001101900000000, -0.0000887000000000 ] - [ 0.0001757100000000, 0.0000490900000000, 0.0001235300000000 ] - [ 0.0002346300000000, 0.0000435200000000, -0.0001044400000000 ] - [ 0.0005552400000000, 0.0012229000000000, 0.0021412100000000 ] - [ -0.0000312000000000, 0.0003254600000000, 0.0000793200000000 ] - [ 0.0001268100000000, 0.0001219500000000, 0.0000328400000000 ] - [ 0.0003833100000000, -0.0001759900000000, 0.0002512200000000 ] - [ 0.0002627500000000, 0.0002148800000000, -0.0000519500000000 ] - [ 0.0001171100000000, 0.0003715500000000, -0.0000225700000000 ] - [ -0.0012054900000000, 0.0031784000000000, 0.0035201500000000 ] - [ -0.0000622900000000, 0.0001075200000000, 0.0000717400000000 ] - [ 0.0001345800000000, 0.0002504500000000, -0.0000530600000000 ] - [ 0.0000708300000000, -0.0000143600000000, 0.0000600100000000 ] - [ -0.0000645200000000, -0.0011595900000000, -0.0039657800000000 ] - [ -0.0001932300000000, 0.0000193200000000, -0.0001923000000000 ] - [ 0.0000796700000000, 0.0000659600000000, 0.0003250800000000 ] - [ 0.0001634300000000, -0.0000370200000000, -0.0004476600000000 ] - [ 0.0003113300000000, 0.0001587200000000, -0.0000601400000000 ] - [ 0.0009838900000000, 0.0004769200000000, -0.0028448000000000 ] - [ -0.0005537400000000, -0.0022184200000000, -0.0048910500000000 ] - [ -0.0024249800000000, 0.0004960200000000, 0.0246757900000000 ] - [ 0.0001991100000000, 0.0001981500000000, -0.0001811800000000 ] - [ 0.0004471500000000, 0.0002765400000000, -0.0000049500000000 ] - [ -0.0002790000000000, 0.0000440500000000, -0.0000486500000000 ] - [ -0.0000691800000000, -0.0002945900000000, 0.0004992800000000 ] - [ -0.0003031200000000, -0.0000539600000000, -0.0001053200000000 ] - [ 0.0001202000000000, 0.0000890500000000, -0.0000545900000000 ] - [ -0.0005201400000000, 0.0001208600000000, 0.0001930600000000 ] - [ 0.0040437100000000, 0.0005528100000000, 0.0198825200000000 ] - [ 0.0001294200000000, 0.0001280000000000, -0.0000353100000000 ] - [ -0.0009155800000000, 0.0005784700000000, -0.0022345600000000 ] - [ -0.0001249400000000, 0.0001042900000000, -0.0000414900000000 ] - [ -0.0001376000000000, -0.0001667500000000, -0.0000460900000000 ] - [ -0.0002293300000000, 0.0001520400000000, 0.0001588400000000 ] - [ -0.0021213700000000, 0.0011023500000000, -0.0024882700000000 ] - [ -0.0003326700000000, -0.0000667900000000, -0.0001583600000000 ] - [ 0.0001544000000000, -0.0001249400000000, 0.0003005600000000 ] - [ -0.0017018900000000, 0.0014393800000000, 0.0011889500000000 ] - [ 0.0001634500000000, 0.0001038500000000, 0.0002377300000000 ] - [ 0.0002427600000000, -0.0001049900000000, -0.0000525700000000 ] - [ -0.0000718400000000, -0.0000191500000000, -0.0000241700000000 ] - [ 0.0000404300000000, -0.0001993100000000, 0.0000165600000000 ] - [ -0.0012194300000000, -0.0003529200000000, 0.0027839400000000 ] - [ 0.0003379300000000, 0.0004904700000000, 0.0000650100000000 ] - [ 0.0001190500000000, -0.0000041200000000, -0.0000255600000000 ] - [ -0.0002004900000000, 0.0001126400000000, -0.0000220200000000 ] - [ -0.0000210300000000, 0.0000087900000000, 0.0000777100000000 ] - [ 0.0000731500000000, -0.0001200600000000, -0.0000838700000000 ] - [ 0.0001873100000000, -0.0000483100000000, -0.0000024500000000 ] - [ -0.0000406500000000, -0.0000565800000000, -0.0001181600000000 ] - [ -0.0000292400000000, -0.0002430600000000, 0.0000351200000000 ] - [ -0.0000897100000000, 0.0002928600000000, 0.0000843900000000 ] - [ -0.0001626500000000, -0.0001057300000000, 0.0003178200000000 ] - [ -0.0002903000000000, -0.0001509200000000, -0.0000860800000000 ] - [ -0.0000937000000000, -0.0000959300000000, 0.0000885600000000 ] - [ 0.0002950300000000, -0.0000912500000000, 0.0000532200000000 ] - [ 0.0003659500000000, -0.0004197100000000, -0.0001817700000000 ] - [ 0.0004040800000000, 0.0001076700000000, -0.0001576300000000 ] - [ 0.0002084800000000, 0.0007142500000000, 0.0009577100000000 ] - [ -0.0000805900000000, -0.0005668300000000, 0.0001878900000000 ] - [ 0.0017742200000000, 0.0010731900000000, -0.0059481900000000 ] - [ -0.0002310300000000, -0.0008085700000000, -0.0001894100000000 ] - [ 0.0003246600000000, -0.0000025700000000, -0.0000812100000000 ] - [ -0.0004124500000000, 0.0002939300000000, -0.0001959700000000 ] - [ 0.0000741800000000, -0.0001390800000000, 0.0001373600000000 ] - [ -0.0000527200000000, -0.0003369800000000, 0.0018932200000000 ] - [ -0.0005673400000000, -0.0000226200000000, -0.0003273000000000 ] - [ -0.0001386700000000, -0.0002308600000000, -0.0001600600000000 ] - [ -0.0006560900000000, 0.0002228000000000, 0.0002926400000000 ] - [ -0.0041912200000000, 0.0004869400000000, -0.0018499000000000 ] - [ 0.0000943700000000, -0.0001056000000000, 0.0002431500000000 ] - [ 0.0000362200000000, -0.0008923900000000, -0.0003611800000000 ] - [ -0.0001657600000000, -0.0001613900000000, 0.0002718500000000 ] - [ 0.0002662300000000, -0.0000960900000000, 0.0003141500000000 ] - [ -0.0001598500000000, -0.0004850200000000, 0.0001151300000000 ] - [ 0.0001116400000000, -0.0004395100000000, 0.0000778400000000 ] - [ -0.0012468800000000, -0.0034047800000000, 0.0175218300000000 ] - [ -0.0002269500000000, -0.0001366500000000, 0.0000021800000000 ] - [ -0.0016368800000000, 0.0023581800000000, 0.0041764100000000 ] - [ -0.0005373400000000, 0.0001408700000000, 0.0003691700000000 ] - [ 0.0001778000000000, -0.0002547000000000, -0.0001088300000000 ] - [ 0.0000205200000000, 0.0000604900000000, 0.0000315300000000 ] - [ 0.0002622500000000, -0.0006133400000000, -0.0002263500000000 ] - [ -0.0002728000000000, -0.0000865100000000, 0.0000724700000000 ] - [ -0.0000895900000000, 0.0005334900000000, 0.0000539500000000 ] - [ 0.0038139700000000, -0.0002691700000000, -0.0022269200000000 ] - [ 0.0002025700000000, 0.0001818600000000, 0.0001786400000000 ] - [ -0.0000393200000000, 0.0000357600000000, 0.0000336500000000 ] - [ -0.0002695100000000, 0.0036587700000000, 0.0022192900000000 ] - [ 0.0000366200000000, -0.0001775100000000, -0.0000253900000000 ] - [ -0.0002766600000000, -0.0000176000000000, -0.0000482600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0047063900000000, 0.0076994900000000, 0.0562264700000000 ] - [ -0.0000017500000000, -0.0001731900000000, -0.0000143900000000 ] - [ 0.0000925600000000, 0.0000397800000000, -0.0002224400000000 ] - [ 0.0000791800000000, -0.0001041700000000, -0.0001329500000000 ] - [ -0.0001013300000000, 0.0004660000000000, -0.0002419200000000 ] - [ -0.0000002700000000, -0.0000286900000000, -0.0000064600000000 ] - [ -0.0001244600000000, -0.0000767000000000, -0.0001070600000000 ] - [ -0.0001176700000000, 0.0000367700000000, -0.0000358500000000 ] - [ 0.0000479400000000, 0.0002169600000000, -0.0000583200000000 ] - [ 0.0008621400000000, 0.0043791900000000, 0.0015305800000000 ] - [ 0.0001083800000000, 0.0001283000000000, 0.0000538500000000 ] - [ -0.0001338100000000, -0.0000187100000000, 0.0000968300000000 ] - [ -0.0027648400000000, -0.0040175700000000, -0.0021943400000000 ] - [ -0.0001956100000000, -0.0000183400000000, -0.0000771600000000 ] - [ 0.0001176700000000, -0.0001437300000000, 0.0000836700000000 ] - [ 0.0001869100000000, -0.0001416800000000, -0.0000645700000000 ] - [ -0.0003556000000000, -0.0017270300000000, -0.0021492800000000 ] - [ -0.0001121500000000, 0.0001156700000000, -0.0000044300000000 ] - [ 0.0000798100000000, -0.0000773900000000, 0.0000705200000000 ] - [ 0.0002042900000000, -0.0000889500000000, -0.0004392300000000 ] - [ 0.0003344200000000, 0.0000347100000000, -0.0001501400000000 ] - [ 0.0000884500000000, 0.0001747300000000, -0.0000274400000000 ] - [ 0.0010137300000000, -0.0031598100000000, -0.0035904000000000 ] - [ -0.0001474600000000, -0.0001664200000000, 0.0000329500000000 ] - [ -0.0000067500000000, 0.0002015100000000, 0.0001283700000000 ] - [ 0.0000757000000000, -0.0004487700000000, 0.0000075100000000 ] - [ 0.0007044500000000, 0.0010681000000000, 0.0037993300000000 ] - [ -0.0001984700000000, -0.0002320100000000, -0.0001868200000000 ] - [ -0.0004620800000000, -0.0002833500000000, -0.0000133500000000 ] - [ -0.0005574200000000, 0.0002489600000000, 0.0000637700000000 ] - [ 0.0002638000000000, -0.0000521700000000, -0.0000519500000000 ] - [ -0.0008069900000000, -0.0004571900000000, 0.0029198700000000 ] - [ 0.0007406100000000, 0.0022293100000000, 0.0047700800000000 ] - [ 0.0031262000000000, -0.0010623800000000, -0.0250597800000000 ] - [ 0.0001929000000000, 0.0000011500000000, -0.0001975000000000 ] - [ -0.0000585900000000, -0.0000686600000000, 0.0003033900000000 ] - [ -0.0002990100000000, -0.0001615600000000, -0.0000631900000000 ] - [ -0.0000650600000000, -0.0001641700000000, -0.0004081800000000 ] - [ -0.0002939100000000, -0.0002048900000000, -0.0000984400000000 ] - [ 0.0002659100000000, -0.0003070300000000, 0.0003529700000000 ] - [ 0.0003215100000000, -0.0000615000000000, -0.0000881200000000 ] - [ -0.0049707700000000, -0.0006077800000000, -0.0199844000000000 ] - [ 0.0001084200000000, -0.0001160200000000, -0.0000453400000000 ] - [ 0.0007533200000000, 0.0000129200000000, 0.0021539400000000 ] - [ -0.0001114400000000, -0.0001285600000000, -0.0000383600000000 ] - [ -0.0000701900000000, -0.0003901200000000, -0.0000045000000000 ] - [ -0.0001574700000000, 0.0000627900000000, 0.0001458800000000 ] - [ 0.0016111700000000, -0.0009116200000000, 0.0022653500000000 ] - [ -0.0001671700000000, 0.0003036500000000, -0.0000907800000000 ] - [ -0.0004563700000000, 0.0003503300000000, 0.0001712400000000 ] - [ 0.0010514100000000, -0.0012916600000000, -0.0013816700000000 ] - [ 0.0001237000000000, 0.0001078600000000, 0.0002399000000000 ] - [ 0.0002686600000000, 0.0000067600000000, -0.0000463400000000 ] - [ -0.0000417600000000, 0.0001933500000000, -0.0000259500000000 ] - [ -0.0001179600000000, -0.0000454000000000, 0.0000582800000000 ] - [ 0.0011018100000000, 0.0001711600000000, -0.0028857500000000 ] - [ 0.0000512200000000, -0.0005087100000000, -0.0000565800000000 ] - [ -0.0000488200000000, -0.0002428600000000, 0.0000953000000000 ] - [ -0.0002143700000000, -0.0000675200000000, 0.0000183300000000 ] - [ 0.0002143900000000, -0.0000593900000000, 0.0000911700000000 ] - [ 0.0000417200000000, 0.0000522200000000, -0.0001178900000000 ] - [ 0.0002299900000000, 0.0001066300000000, 0.0000022300000000 ] - [ -0.0000770300000000, 0.0001344500000000, -0.0000820700000000 ] - [ 0.0000711200000000, -0.0000077300000000, 0.0000356200000000 ] - [ -0.0001160900000000, 0.0004268600000000, 0.0000816000000000 ] - [ -0.0002079700000000, 0.0000296000000000, 0.0003153400000000 ] - [ -0.0003107200000000, 0.0000129800000000, -0.0000789700000000 ] - [ -0.0001027800000000, 0.0000418000000000, 0.0000788900000000 ] - [ 0.0002760200000000, 0.0000767900000000, 0.0000730300000000 ] - [ 0.0003829200000000, -0.0003045000000000, -0.0001924300000000 ] - [ -0.0005119800000000, -0.0001806300000000, -0.0000467200000000 ] - [ -0.0001744400000000, -0.0004544400000000, -0.0008780500000000 ] - [ 0.0004473000000000, 0.0004874100000000, 0.0004462600000000 ] - [ -0.0018608000000000, -0.0013861500000000, 0.0059669400000000 ] - [ -0.0003518000000000, 0.0007805900000000, 0.0003200900000000 ] - [ 0.0002754200000000, 0.0001496300000000, -0.0000840400000000 ] - [ -0.0003326500000000, 0.0004384500000000, -0.0001776200000000 ] - [ 0.0001219000000000, 0.0001960000000000, 0.0000322500000000 ] - [ 0.0007962600000000, 0.0010452900000000, -0.0022716700000000 ] - [ 0.0005280000000000, 0.0002807300000000, 0.0003958500000000 ] - [ -0.0003591900000000, -0.0000053700000000, -0.0000857500000000 ] - [ 0.0001467100000000, -0.0003322300000000, -0.0003805800000000 ] - [ 0.0042743100000000, -0.0004262400000000, 0.0017238800000000 ] - [ 0.0001942900000000, -0.0000871000000000, 0.0002349700000000 ] - [ -0.0007921200000000, 0.0001524600000000, -0.0000221900000000 ] - [ -0.0001184100000000, -0.0000386400000000, 0.0002050000000000 ] - [ 0.0001040000000000, 0.0001772300000000, 0.0003189300000000 ] - [ -0.0002279700000000, 0.0005495000000000, 0.0005316400000000 ] - [ 0.0000936300000000, -0.0002726700000000, 0.0000880900000000 ] - [ 0.0015718900000000, 0.0029244700000000, -0.0173891600000000 ] - [ -0.0001883300000000, 0.0000924300000000, -0.0000025900000000 ] - [ 0.0021870200000000, -0.0023582900000000, -0.0040703600000000 ] - [ 0.0003579600000000, -0.0000847200000000, -0.0002009500000000 ] - [ 0.0003220300000000, 0.0000284600000000, -0.0001406100000000 ] - [ 0.0000512000000000, 0.0001942000000000, 0.0000412300000000 ] - [ 0.0002397800000000, 0.0008404500000000, -0.0000216000000000 ] - [ -0.0002999400000000, 0.0001103000000000, 0.0000528900000000 ] - [ 0.0002970600000000, 0.0001833100000000, 0.0001083300000000 ] - [ -0.0036379400000000, 0.0004049200000000, 0.0022068300000000 ] - [ 0.0004389600000000, -0.0003027200000000, -0.0003319500000000 ] - [ -0.0000013300000000, 0.0002239400000000, 0.0000373600000000 ] - [ 0.0000498000000000, -0.0044694000000000, -0.0020833500000000 ] - [ 0.0000799800000000, 0.0000131500000000, -0.0000242700000000 ] - [ -0.0002325000000000, 0.0001228100000000, -0.0000505900000000 ]- atom: 3 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0013020800000000, 0.0010938200000000, -0.0000251300000000 ] - [ -0.0006357500000000, -0.0006581200000000, -0.0000522800000000 ] - [ -0.0694480100000000, -0.0130364100000000, 0.0028922100000000 ] - [ 0.0053019000000000, 0.0000660100000000, 0.0001364500000000 ] - [ 0.0014699600000000, -0.0016006100000000, -0.0000526900000000 ] - [ 0.0005254500000000, 0.0004607800000000, -0.0000092500000000 ] - [ -0.0001534300000000, 0.0001625100000000, -0.0001213000000000 ] - [ 0.0000309000000000, -0.0001699400000000, -0.0001278500000000 ] - [ 0.0055099600000000, -0.0005604600000000, -0.0008788100000000 ] - [ -0.0003795100000000, 0.0003572800000000, 0.0000937300000000 ] - [ 0.0054939800000000, -0.0001965800000000, 0.0008386100000000 ] - [ -0.0000475200000000, 0.0002116900000000, 0.0001767800000000 ] - [ -0.0003392900000000, 0.0003902200000000, -0.0000851600000000 ] - [ -0.0001168100000000, 0.0002045800000000, -0.0001544000000000 ] - [ -0.0079950100000000, -0.0010046800000000, -0.0030270500000000 ] - [ -0.0086036900000000, -0.0013291000000000, 0.0030482900000000 ] - [ 0.0003049400000000, -0.0011370600000000, -0.0002879400000000 ] - [ 0.0079765900000000, 0.0170573200000000, -0.0012679500000000 ] - [ 0.0037453800000000, 0.0041065000000000, 0.0000705700000000 ] - [ 0.0258581100000000, -0.0152308000000000, 0.0006682900000000 ] - [ 0.0004087200000000, -0.0077615400000000, 0.0014408600000000 ] - [ 0.0000701200000000, 0.0000626600000000, 0.0000322200000000 ] - [ 0.0009389000000000, 0.0018290500000000, 0.0006160400000000 ] - [ -0.0004204900000000, 0.0000935600000000, 0.0000251300000000 ] - [ 0.0003062300000000, 0.0003815000000000, 0.0000238600000000 ] - [ -0.0000197900000000, -0.0001672900000000, 0.0000358300000000 ] - [ 0.0013155100000000, -0.0017139600000000, 0.0002258600000000 ] - [ -0.0009054200000000, 0.0000725700000000, -0.0002686200000000 ] - [ -0.0006389300000000, -0.0001007600000000, 0.0000600400000000 ] - [ 0.0014071200000000, 0.0002663700000000, -0.0000717800000000 ] - [ -0.0000173900000000, -0.0004162800000000, -0.0000675000000000 ] - [ -0.0024543600000000, 0.0142440500000000, -0.0003317900000000 ] - [ 0.0044961000000000, 0.0009541400000000, -0.0002647500000000 ] - [ 0.0003371500000000, 0.0118944300000000, 0.0011933700000000 ] - [ 0.0014193100000000, 0.0028023700000000, -0.0005988300000000 ] - [ 0.0099638600000000, 0.0026784000000000, 0.0041551200000000 ] - [ 0.0016426800000000, -0.0012166100000000, 0.0002732800000000 ] - [ 0.0269399500000000, 0.0016341600000000, -0.0008065000000000 ] - [ 0.0000267400000000, -0.0000921100000000, -0.0000810300000000 ] - [ 0.0008452200000000, -0.0112466900000000, -0.0007110600000000 ] - [ 0.0005847600000000, 0.0002354500000000, 0.0001269700000000 ] - [ -0.0078627400000000, -0.0060955000000000, -0.0016970900000000 ] - [ -0.0008341300000000, 0.0009135000000000, -0.0001021600000000 ] - [ -0.0131240400000000, -0.0102770500000000, 0.0012961200000000 ] - [ -0.0004664500000000, 0.0008051100000000, -0.0001964500000000 ] - [ 0.0041673200000000, -0.0023356300000000, -0.0001092700000000 ] - [ 0.0000292300000000, 0.0001847700000000, 0.0001732900000000 ] - [ -0.0011898300000000, 0.0000156400000000, -0.0001119400000000 ] - [ -0.0000971000000000, 0.0000730900000000, -0.0000644700000000 ] - [ 0.0000818600000000, 0.0001039800000000, 0.0002229900000000 ] - [ -0.0001284400000000, 0.0007319500000000, -0.0001216600000000 ] - [ -0.0055026500000000, 0.0072000900000000, 0.0008817900000000 ] - [ -0.0016485500000000, -0.0006316500000000, 0.0000076000000000 ] - [ -0.0009215100000000, 0.0009304600000000, 0.0000706300000000 ] - [ 0.0000138700000000, -0.0002091600000000, 0.0000373200000000 ] - [ 0.0028888700000000, 0.0020494200000000, -0.0007386400000000 ] - [ 0.0079027200000000, -0.0029815300000000, -0.0008635500000000 ] - [ -0.0077651300000000, -0.0012431100000000, 0.0001622000000000 ] - [ -0.0006058900000000, -0.0001041000000000, 0.0000443900000000 ] - [ -0.0068168900000000, 0.0010832400000000, -0.0011539600000000 ] - [ 0.0004836700000000, -0.0010941600000000, -0.0001442400000000 ] - [ -0.0017702100000000, -0.0041052900000000, -0.0001987100000000 ] - [ 0.0004718100000000, -0.0004326500000000, -0.0000704600000000 ] - [ 0.0028583400000000, 0.0002357200000000, -0.0000166600000000 ] - [ -0.0002990200000000, 0.0001767800000000, 0.0000798000000000 ] - [ -0.0003145900000000, 0.0000328900000000, 0.0003208800000000 ] - [ -0.0003506900000000, 0.0001154500000000, -0.0000792800000000 ] - [ -0.0002822800000000, -0.0001347000000000, 0.0000830900000000 ] - [ 0.0001177400000000, -0.0016542900000000, 0.0000664300000000 ] - [ -0.0037413300000000, -0.0012466000000000, -0.0002230700000000 ] - [ -0.0015245000000000, -0.0007772500000000, -0.0002364300000000 ] - [ -0.0036034100000000, 0.0011785000000000, 0.0000386400000000 ] - [ -0.0025366700000000, 0.0041220800000000, 0.0042311000000000 ] - [ 0.0000975500000000, -0.0010290600000000, -0.0001244800000000 ] - [ -0.0013722800000000, -0.0004868100000000, 0.0000634500000000 ] - [ -0.0016202700000000, 0.0028605900000000, -0.0000395800000000 ] - [ -0.0001723300000000, 0.0004589400000000, -0.0001901500000000 ] - [ 0.0083474900000000, 0.0056841300000000, -0.0006953400000000 ] - [ 0.0192753300000000, -0.0016146900000000, 0.0009836300000000 ] - [ -0.0001534400000000, -0.0001191400000000, 0.0000342100000000 ] - [ -0.0004387500000000, -0.0002180600000000, -0.0001869400000000 ] - [ -0.0013044000000000, 0.0005038800000000, -0.0000856600000000 ] - [ -0.0018036400000000, -0.0030976400000000, -0.0001445200000000 ] - [ -0.0070732000000000, -0.0027686400000000, -0.0028537000000000 ] - [ -0.0009430200000000, -0.0000460200000000, -0.0001873900000000 ] - [ -0.0002742300000000, -0.0001929800000000, 0.0002658800000000 ] - [ -0.0016195200000000, 0.0040900600000000, 0.0005540000000000 ] - [ 0.0001868700000000, 0.0004583400000000, 0.0003040500000000 ] - [ 0.0045762500000000, 0.0025703600000000, -0.0001491900000000 ] - [ 0.0063625300000000, -0.0027494000000000, -0.0000791000000000 ] - [ -0.0000278400000000, -0.0001184200000000, -0.0000175800000000 ] - [ 0.0002278400000000, -0.0035825200000000, 0.0002796100000000 ] - [ 0.0002278300000000, -0.0002484500000000, 0.0000873500000000 ] - [ -0.0026983000000000, -0.0044946400000000, 0.0003785200000000 ] - [ 0.0112595700000000, 0.0007780600000000, -0.0004260500000000 ] - [ -0.0037079500000000, 0.0016641900000000, -0.0047162800000000 ] - [ 0.0001751700000000, -0.0002052200000000, 0.0000833000000000 ] - [ -0.0059398500000000, 0.0026864600000000, -0.0002570400000000 ] - [ 0.0005374700000000, 0.0024506200000000, 0.0002585400000000 ] - [ 0.0064651700000000, 0.0068729400000000, -0.0015920700000000 ] - [ -0.0001176300000000, -0.0002419500000000, 0.0000746500000000 ] - [ 0.0003552100000000, -0.0008277800000000, 0.0000882200000000 ] - [ -0.0000822900000000, 0.0004777600000000, -0.0000908100000000 ] - [ 0.0001832000000000, 0.0002346000000000, -0.0000496100000000 ]- atom: 3 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0012955700000000, -0.0012303300000000, 0.0000052700000000 ] - [ 0.0006307100000000, 0.0005322700000000, 0.0000326100000000 ] - [ 0.0697031200000000, 0.0127284400000000, -0.0029734600000000 ] - [ -0.0051348100000000, -0.0002165500000000, -0.0003866000000000 ] - [ -0.0014630000000000, 0.0017324000000000, 0.0000311800000000 ] - [ -0.0005239300000000, -0.0003332900000000, -0.0000101200000000 ] - [ -0.0000063100000000, -0.0000163500000000, -0.0001305200000000 ] - [ -0.0001891100000000, 0.0000231200000000, -0.0001231900000000 ] - [ -0.0050864600000000, 0.0006600400000000, 0.0007027300000000 ] - [ -0.0000439000000000, -0.0004525700000000, -0.0002603200000000 ] - [ -0.0051976600000000, 0.0002920900000000, -0.0006243500000000 ] - [ -0.0002454200000000, -0.0001194500000000, 0.0000291600000000 ] - [ 0.0000443800000000, -0.0004826000000000, 0.0002900600000000 ] - [ -0.0003042400000000, -0.0001092100000000, -0.0000130000000000 ] - [ 0.0082860000000000, 0.0009850400000000, 0.0032213700000000 ] - [ 0.0090174400000000, 0.0013176800000000, -0.0032029200000000 ] - [ -0.0000918700000000, 0.0005832300000000, 0.0002388500000000 ] - [ -0.0081778100000000, -0.0168022600000000, 0.0013331700000000 ] - [ -0.0035341600000000, -0.0040719100000000, 0.0000388300000000 ] - [ -0.0256752700000000, 0.0152094300000000, -0.0008732700000000 ] - [ 0.0001633300000000, 0.0079603600000000, -0.0016244800000000 ] - [ 0.0001398700000000, 0.0004871500000000, -0.0000812700000000 ] - [ -0.0011774600000000, -0.0018055500000000, -0.0006964600000000 ] - [ 0.0002090700000000, -0.0001438200000000, 0.0000789800000000 ] - [ -0.0001627800000000, 0.0000668000000000, 0.0000500200000000 ] - [ 0.0001641700000000, -0.0002807400000000, 0.0000377900000000 ] - [ -0.0007337100000000, 0.0015980800000000, -0.0003375400000000 ] - [ 0.0005110300000000, -0.0002756900000000, -0.0001100400000000 ] - [ 0.0002493400000000, -0.0001119800000000, 0.0002421600000000 ] - [ -0.0017955800000000, -0.0000589600000000, -0.0003066100000000 ] - [ 0.0005909000000000, 0.0005249800000000, -0.0000445400000000 ] - [ 0.0026131800000000, -0.0142186400000000, 0.0004685800000000 ] - [ -0.0042559700000000, -0.0009683900000000, 0.0001883100000000 ] - [ 0.0000546800000000, -0.0120436000000000, -0.0015782900000000 ] - [ -0.0010173500000000, -0.0026006000000000, 0.0002214000000000 ] - [ -0.0096229100000000, -0.0024523300000000, -0.0038613400000000 ] - [ -0.0022190100000000, 0.0010976700000000, -0.0003827100000000 ] - [ -0.0266856500000000, -0.0020406500000000, 0.0008924500000000 ] - [ -0.0006236700000000, -0.0001644600000000, -0.0001222600000000 ] - [ -0.0005212400000000, 0.0109669500000000, 0.0009828200000000 ] - [ -0.0007927500000000, -0.0001835000000000, -0.0000226500000000 ] - [ 0.0072929100000000, 0.0061843400000000, 0.0015877000000000 ] - [ 0.0010841500000000, -0.0008877600000000, 0.0000236300000000 ] - [ 0.0129937600000000, 0.0108414200000000, -0.0013390000000000 ] - [ 0.0002309600000000, -0.0008213300000000, 0.0001171800000000 ] - [ -0.0043748600000000, 0.0017749600000000, 0.0000551300000000 ] - [ -0.0004173000000000, 0.0000279600000000, 0.0001291700000000 ] - [ 0.0005922400000000, 0.0002392500000000, -0.0000916300000000 ] - [ -0.0004035300000000, 0.0001576700000000, -0.0001852600000000 ] - [ -0.0003697000000000, 0.0000985100000000, 0.0002555500000000 ] - [ -0.0004730900000000, -0.0005890500000000, -0.0000430600000000 ] - [ 0.0057598700000000, -0.0069264000000000, -0.0003785900000000 ] - [ 0.0021556500000000, 0.0005357300000000, -0.0001074600000000 ] - [ 0.0008076400000000, -0.0007565600000000, -0.0001203000000000 ] - [ -0.0000837400000000, -0.0000413500000000, 0.0000356600000000 ] - [ -0.0030129700000000, -0.0022146200000000, 0.0006876100000000 ] - [ -0.0070685400000000, 0.0031259100000000, 0.0007234900000000 ] - [ 0.0078221600000000, 0.0009878700000000, -0.0000901200000000 ] - [ 0.0001880300000000, 0.0001568400000000, -0.0000444200000000 ] - [ 0.0070097300000000, -0.0011416400000000, 0.0013230500000000 ] - [ -0.0003727200000000, 0.0010221200000000, -0.0000561800000000 ] - [ 0.0021745800000000, 0.0041724400000000, 0.0001919100000000 ] - [ -0.0005902400000000, 0.0005007900000000, -0.0001321400000000 ] - [ -0.0028282100000000, -0.0005078600000000, 0.0000856000000000 ] - [ 0.0000911900000000, 0.0005391900000000, 0.0000858300000000 ] - [ -0.0000568600000000, -0.0001099500000000, 0.0003118100000000 ] - [ -0.0002493600000000, -0.0002558400000000, -0.0000856700000000 ] - [ 0.0000823200000000, 0.0000797200000000, 0.0000855400000000 ] - [ 0.0004459800000000, 0.0016396100000000, 0.0000597400000000 ] - [ 0.0044895300000000, 0.0005229700000000, -0.0001516100000000 ] - [ 0.0014060700000000, 0.0007020100000000, 0.0000359400000000 ] - [ 0.0036433300000000, -0.0009270000000000, 0.0000309600000000 ] - [ 0.0027637900000000, -0.0041902000000000, -0.0035524200000000 ] - [ -0.0001316900000000, 0.0007710800000000, 0.0001954200000000 ] - [ 0.0007985100000000, 0.0004660000000000, 0.0000623900000000 ] - [ 0.0022187600000000, -0.0027008400000000, -0.0001279900000000 ] - [ -0.0005748800000000, 0.0002694500000000, -0.0001833100000000 ] - [ -0.0080720600000000, -0.0056625400000000, 0.0008410000000000 ] - [ -0.0185107800000000, 0.0023287300000000, -0.0014036800000000 ] - [ 0.0000855300000000, 0.0003699700000000, 0.0000387400000000 ] - [ -0.0000622400000000, -0.0000132900000000, -0.0000628700000000 ] - [ 0.0007887800000000, -0.0006012300000000, -0.0000140600000000 ] - [ 0.0019220200000000, 0.0031673900000000, -0.0000577000000000 ] - [ 0.0071700700000000, 0.0025447200000000, 0.0033219100000000 ] - [ 0.0001923000000000, -0.0006822600000000, -0.0001860000000000 ] - [ -0.0000137800000000, -0.0000086400000000, 0.0002126800000000 ] - [ 0.0020055100000000, -0.0039969100000000, 0.0000776200000000 ] - [ -0.0005580200000000, -0.0003793100000000, 0.0003287100000000 ] - [ -0.0043426400000000, -0.0032877300000000, 0.0003119900000000 ] - [ -0.0058292300000000, 0.0028554500000000, -0.0000240300000000 ] - [ -0.0003890500000000, 0.0000642500000000, 0.0000173900000000 ] - [ 0.0003552200000000, 0.0035913000000000, -0.0001553400000000 ] - [ -0.0004257600000000, 0.0003033400000000, 0.0000815300000000 ] - [ 0.0031999800000000, 0.0042877000000000, -0.0006232400000000 ] - [ -0.0112776400000000, -0.0006407700000000, 0.0004866500000000 ] - [ 0.0043443300000000, -0.0014084000000000, 0.0044794700000000 ] - [ -0.0007472600000000, 0.0002228800000000, 0.0000424400000000 ] - [ 0.0061458100000000, -0.0019844800000000, 0.0004244400000000 ] - [ -0.0004226100000000, -0.0022793900000000, -0.0003086900000000 ] - [ -0.0060193900000000, -0.0069518400000000, 0.0013920200000000 ] - [ 0.0000795300000000, 0.0004975900000000, -0.0000040000000000 ] - [ -0.0005620500000000, 0.0001146200000000, 0.0000775200000000 ] - [ 0.0001993700000000, -0.0006419300000000, 0.0000410800000000 ] - [ -0.0006901800000000, -0.0001369300000000, -0.0000495400000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008582300000000, 0.0037274900000000, 0.0000135500000000 ] - [ -0.0006808300000000, 0.0037521800000000, 0.0001342100000000 ] - [ -0.0124818300000000, -0.0741146300000000, -0.0088224900000000 ] - [ -0.0000635100000000, -0.0033250900000000, 0.0000240400000000 ] - [ -0.0014887800000000, 0.0003686400000000, 0.0000993000000000 ] - [ 0.0002537800000000, 0.0018593300000000, -0.0000386900000000 ] - [ -0.0001684000000000, 0.0026212200000000, -0.0000901600000000 ] - [ -0.0001763300000000, 0.0022937900000000, -0.0001558400000000 ] - [ 0.0005840100000000, -0.0026478300000000, -0.0002672300000000 ] - [ -0.0000519000000000, 0.0018168000000000, 0.0000642900000000 ] - [ 0.0002307100000000, -0.0023866600000000, 0.0003470600000000 ] - [ 0.0001171700000000, 0.0017864400000000, 0.0003698100000000 ] - [ 0.0000138000000000, 0.0018512100000000, -0.0000252000000000 ] - [ 0.0000560300000000, 0.0017984400000000, -0.0003692800000000 ] - [ -0.0004389800000000, 0.0150750000000000, -0.0059798400000000 ] - [ -0.0003160600000000, 0.0181838200000000, 0.0066663900000000 ] - [ -0.0005527400000000, 0.0032641800000000, 0.0000891500000000 ] - [ 0.0198306200000000, -0.0013446000000000, 0.0014612500000000 ] - [ 0.0013417300000000, -0.0005944800000000, 0.0007719900000000 ] - [ -0.0136371200000000, -0.0114379600000000, -0.0007400600000000 ] - [ -0.0074397400000000, -0.0013485500000000, 0.0003950400000000 ] - [ -0.0002325300000000, 0.0028021400000000, 0.0000456200000000 ] - [ 0.0008017400000000, 0.0019213200000000, 0.0004057600000000 ] - [ 0.0000447000000000, 0.0031133900000000, 0.0000492000000000 ] - [ 0.0002511900000000, 0.0030910800000000, -0.0000760700000000 ] - [ 0.0001980200000000, 0.0031905900000000, 0.0001303900000000 ] - [ -0.0019629900000000, 0.0035644500000000, -0.0003903700000000 ] - [ -0.0003474400000000, 0.0032474900000000, -0.0001778600000000 ] - [ -0.0000401500000000, 0.0029600200000000, 0.0000484300000000 ] - [ -0.0007481500000000, 0.0018397700000000, -0.0002048200000000 ] - [ -0.0004058200000000, 0.0023244600000000, 0.0000277100000000 ] - [ 0.0160094000000000, -0.0062215700000000, -0.0005582400000000 ] - [ 0.0039281500000000, -0.0001430700000000, 0.0000371300000000 ] - [ 0.0112224500000000, 0.0046880700000000, -0.0008480800000000 ] - [ 0.0013709200000000, 0.0016152800000000, -0.0000612100000000 ] - [ 0.0001958500000000, -0.0096257200000000, 0.0025947100000000 ] - [ -0.0001701800000000, 0.0018365400000000, -0.0000890600000000 ] - [ 0.0027954200000000, -0.0148167000000000, 0.0010139400000000 ] - [ -0.0004449800000000, 0.0024731000000000, -0.0000201300000000 ] - [ -0.0135492600000000, -0.0105257300000000, 0.0028346100000000 ] - [ -0.0007285400000000, 0.0023285100000000, 0.0000266900000000 ] - [ -0.0064694800000000, 0.0097612200000000, -0.0000066100000000 ] - [ 0.0034922100000000, 0.0044196600000000, 0.0004821000000000 ] - [ -0.0130135600000000, 0.0036744000000000, -0.0022431600000000 ] - [ 0.0003762600000000, 0.0029983600000000, 0.0000799200000000 ] - [ -0.0011689000000000, 0.0009944600000000, 0.0001490300000000 ] - [ -0.0002582600000000, 0.0027694800000000, 0.0002346700000000 ] - [ -0.0003320700000000, 0.0032552700000000, -0.0002559500000000 ] - [ -0.0004921500000000, -0.0028207400000000, -0.0000235400000000 ] - [ -0.0000138700000000, -0.0028945100000000, 0.0002283800000000 ] - [ -0.0003946600000000, -0.0026005700000000, 0.0000072000000000 ] - [ 0.0056109400000000, 0.0069651100000000, 0.0010829500000000 ] - [ -0.0003469300000000, -0.0010677300000000, -0.0000871600000000 ] - [ 0.0000059200000000, -0.0013650800000000, 0.0000905000000000 ] - [ 0.0002250300000000, -0.0020810900000000, 0.0000129600000000 ] - [ 0.0024286400000000, -0.0026861000000000, -0.0002890500000000 ] - [ -0.0028895800000000, 0.0087446200000000, -0.0011292900000000 ] - [ -0.0003740300000000, 0.0043454800000000, -0.0002582600000000 ] - [ 0.0002081700000000, -0.0020712900000000, -0.0000977100000000 ] - [ -0.0007515100000000, 0.0041324400000000, -0.0008128500000000 ] - [ -0.0007609100000000, -0.0019720400000000, 0.0005061300000000 ] - [ -0.0028875900000000, 0.0000440600000000, -0.0008287800000000 ] - [ -0.0001510800000000, -0.0028529000000000, -0.0008470900000000 ] - [ -0.0019876700000000, -0.0056045800000000, 0.0000124000000000 ] - [ -0.0001486000000000, -0.0014372300000000, 0.0000837000000000 ] - [ 0.0005259200000000, -0.0020381100000000, 0.0003707100000000 ] - [ 0.0003894400000000, -0.0022180200000000, -0.0001737100000000 ] - [ -0.0006216000000000, -0.0019602900000000, 0.0001006100000000 ] - [ -0.0011287800000000, -0.0007573200000000, -0.0001583900000000 ] - [ 0.0004203200000000, -0.0000507100000000, -0.0006304900000000 ] - [ -0.0010091400000000, -0.0008873100000000, -0.0002944800000000 ] - [ -0.0019436500000000, 0.0025455500000000, 0.0002183400000000 ] - [ 0.0065337300000000, 0.0102873000000000, -0.0005405200000000 ] - [ -0.0002240700000000, -0.0023361900000000, 0.0000058000000000 ] - [ -0.0005977100000000, -0.0014439800000000, -0.0001334200000000 ] - [ 0.0021104000000000, -0.0007116800000000, -0.0005862200000000 ] - [ -0.0005221700000000, -0.0016132300000000, -0.0003045700000000 ] - [ 0.0090222300000000, -0.0004613700000000, -0.0005895100000000 ] - [ -0.0011599300000000, 0.0092436400000000, 0.0082363200000000 ] - [ -0.0006090900000000, -0.0017779900000000, 0.0000656500000000 ] - [ -0.0000505700000000, -0.0025619100000000, -0.0002203600000000 ] - [ 0.0015615200000000, -0.0012053800000000, 0.0000664200000000 ] - [ -0.0024534700000000, -0.0011911500000000, 0.0002683500000000 ] - [ -0.0033849600000000, 0.0118695000000000, -0.0015048900000000 ] - [ 0.0006738300000000, -0.0021207800000000, -0.0000557900000000 ] - [ -0.0002714000000000, -0.0027002900000000, 0.0003034900000000 ] - [ 0.0036422700000000, 0.0012971200000000, 0.0001294300000000 ] - [ -0.0008382900000000, -0.0023711200000000, 0.0001819500000000 ] - [ 0.0061011800000000, -0.0060553800000000, 0.0000147300000000 ] - [ -0.0017324400000000, -0.0070130900000000, 0.0004437500000000 ] - [ -0.0005432300000000, -0.0028062700000000, 0.0000153200000000 ] - [ -0.0036911200000000, 0.0002925200000000, -0.0006749700000000 ] - [ 0.0003277100000000, -0.0020423900000000, 0.0000827800000000 ] - [ -0.0030968900000000, 0.0041111800000000, 0.0018118500000000 ] - [ 0.0014307200000000, 0.0181202300000000, -0.0010918200000000 ] - [ -0.0012651400000000, 0.0135655500000000, -0.0012078100000000 ] - [ -0.0000722400000000, -0.0024100100000000, 0.0002654300000000 ] - [ 0.0021952800000000, 0.0036840900000000, -0.0000175600000000 ] - [ 0.0019224000000000, -0.0035697200000000, 0.0002725900000000 ] - [ 0.0056589900000000, 0.0030795100000000, 0.0003850600000000 ] - [ -0.0010521200000000, -0.0023532200000000, 0.0000028100000000 ] - [ -0.0002032300000000, -0.0029614200000000, 0.0000932900000000 ] - [ 0.0000153400000000, -0.0021403200000000, 0.0000041300000000 ] - [ 0.0000559900000000, -0.0018504200000000, 0.0000195600000000 ]- atom: 3 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008563700000000, -0.0038683100000000, -0.0000353000000000 ] - [ 0.0006825800000000, -0.0038972200000000, -0.0001551600000000 ] - [ 0.0132871100000000, 0.0753928200000000, 0.0083370400000000 ] - [ 0.0002187600000000, 0.0031979200000000, -0.0002772500000000 ] - [ 0.0014926600000000, -0.0002519800000000, -0.0001201400000000 ] - [ -0.0002547400000000, -0.0017287500000000, 0.0000185800000000 ] - [ 0.0000109300000000, -0.0024795200000000, -0.0001610200000000 ] - [ 0.0000170900000000, -0.0024452200000000, -0.0000944100000000 ] - [ -0.0001657500000000, 0.0027399300000000, 0.0001012200000000 ] - [ -0.0003674200000000, -0.0019124400000000, -0.0002316000000000 ] - [ 0.0000610100000000, 0.0024746500000000, -0.0001429100000000 ] - [ -0.0004112900000000, -0.0016986300000000, -0.0001638600000000 ] - [ -0.0003046700000000, -0.0019430900000000, 0.0002309500000000 ] - [ -0.0004783900000000, -0.0017073200000000, 0.0002019100000000 ] - [ 0.0007363300000000, -0.0153747600000000, 0.0063079600000000 ] - [ 0.0007465300000000, -0.0185561900000000, -0.0069763200000000 ] - [ 0.0007560600000000, -0.0038190800000000, -0.0001391700000000 ] - [ -0.0201173800000000, 0.0017865800000000, -0.0013912000000000 ] - [ -0.0011415900000000, 0.0006501100000000, -0.0006678300000000 ] - [ 0.0142657600000000, 0.0111306800000000, 0.0005568700000000 ] - [ 0.0081158300000000, 0.0016532800000000, -0.0006082000000000 ] - [ 0.0004421500000000, -0.0022548600000000, -0.0000962000000000 ] - [ -0.0010334100000000, -0.0019155300000000, -0.0004865500000000 ] - [ -0.0002516900000000, -0.0031701100000000, 0.0000551000000000 ] - [ -0.0001049300000000, -0.0026492600000000, 0.0001498600000000 ] - [ -0.0000558800000000, -0.0036441300000000, -0.0000564600000000 ] - [ 0.0025344000000000, -0.0036852600000000, 0.0002758100000000 ] - [ -0.0000453000000000, -0.0034601500000000, -0.0002012100000000 ] - [ -0.0003481500000000, -0.0031760900000000, 0.0002543600000000 ] - [ 0.0003566400000000, -0.0016427900000000, -0.0001745200000000 ] - [ 0.0009896400000000, -0.0022146100000000, -0.0001406000000000 ] - [ -0.0158178800000000, 0.0060848400000000, 0.0007017500000000 ] - [ -0.0036916100000000, 0.0001068200000000, -0.0001163300000000 ] - [ -0.0107006300000000, -0.0049064600000000, 0.0004488500000000 ] - [ -0.0009791100000000, -0.0014050700000000, -0.0003171600000000 ] - [ 0.0002171900000000, 0.0098867400000000, -0.0022929700000000 ] - [ -0.0004044100000000, -0.0019471200000000, -0.0000230100000000 ] - [ -0.0030503800000000, 0.0143967900000000, -0.0009291600000000 ] - [ -0.0001523500000000, -0.0027347700000000, -0.0001838400000000 ] - [ 0.0139805200000000, 0.0104067600000000, -0.0025389200000000 ] - [ 0.0005220000000000, -0.0022849900000000, 0.0000773100000000 ] - [ 0.0057828700000000, -0.0095800200000000, -0.0001198400000000 ] - [ -0.0032782000000000, -0.0044137900000000, -0.0005653900000000 ] - [ 0.0127881100000000, -0.0031671100000000, 0.0022194700000000 ] - [ -0.0006175100000000, -0.0030187800000000, -0.0001618600000000 ] - [ 0.0009653600000000, -0.0015371100000000, -0.0002021200000000 ] - [ -0.0001282200000000, -0.0025632700000000, 0.0000678200000000 ] - [ -0.0002698000000000, -0.0030022000000000, 0.0000518700000000 ] - [ -0.0000064100000000, 0.0030565500000000, -0.0002256500000000 ] - [ -0.0002720800000000, 0.0031013000000000, 0.0002498100000000 ] - [ -0.0002029400000000, 0.0027477700000000, -0.0001727300000000 ] - [ -0.0053292400000000, -0.0068266500000000, -0.0006094000000000 ] - [ 0.0008592500000000, 0.0009631000000000, -0.0000119700000000 ] - [ -0.0001240300000000, 0.0015316600000000, -0.0001414000000000 ] - [ -0.0002986800000000, 0.0018345900000000, 0.0000602900000000 ] - [ -0.0025385000000000, 0.0025378500000000, 0.0002299700000000 ] - [ 0.0034598700000000, -0.0087006800000000, 0.0010729500000000 ] - [ 0.0004641600000000, -0.0046035300000000, 0.0003287100000000 ] - [ -0.0006252100000000, 0.0021295300000000, 0.0000963300000000 ] - [ 0.0009379300000000, -0.0041993100000000, 0.0009804400000000 ] - [ 0.0008830000000000, 0.0018990400000000, -0.0007095700000000 ] - [ 0.0033104600000000, 0.0000019300000000, 0.0008223000000000 ] - [ 0.0000393500000000, 0.0029321700000000, 0.0006494600000000 ] - [ 0.0020378800000000, 0.0053701000000000, 0.0000596800000000 ] - [ -0.0000528700000000, 0.0021580800000000, 0.0000828400000000 ] - [ -0.0008983500000000, 0.0019643800000000, 0.0002628400000000 ] - [ -0.0009936700000000, 0.0020797000000000, 0.0000081900000000 ] - [ 0.0004302200000000, 0.0019103000000000, 0.0000680700000000 ] - [ 0.0017054500000000, 0.0007344800000000, 0.0002870100000000 ] - [ 0.0003267600000000, -0.0006834400000000, 0.0002579100000000 ] - [ 0.0008942300000000, 0.0008236500000000, 0.0000919400000000 ] - [ 0.0019883500000000, -0.0022810100000000, -0.0001481100000000 ] - [ -0.0062067300000000, -0.0103352900000000, 0.0011991400000000 ] - [ 0.0001719200000000, 0.0020848400000000, 0.0000661000000000 ] - [ 0.0000263900000000, 0.0014326100000000, 0.0002602300000000 ] - [ -0.0015203900000000, 0.0008422300000000, 0.0004264000000000 ] - [ -0.0002271900000000, 0.0023449100000000, -0.0000695900000000 ] - [ -0.0088914700000000, 0.0004113800000000, 0.0007551400000000 ] - [ 0.0019095600000000, -0.0082906300000000, -0.0083608300000000 ] - [ 0.0005332300000000, 0.0020306400000000, 0.0000077500000000 ] - [ -0.0004496200000000, 0.0023367100000000, -0.0000287600000000 ] - [ -0.0020725000000000, 0.0011082600000000, -0.0001642100000000 ] - [ 0.0025634700000000, 0.0012852000000000, -0.0004641500000000 ] - [ 0.0036708000000000, -0.0121338600000000, 0.0019913200000000 ] - [ -0.0014206100000000, 0.0013972500000000, -0.0003184000000000 ] - [ -0.0000158500000000, 0.0025032400000000, 0.0001744300000000 ] - [ -0.0032828100000000, -0.0012429000000000, 0.0004970400000000 ] - [ 0.0004710600000000, 0.0024536000000000, 0.0004513800000000 ] - [ -0.0059681400000000, 0.0053996400000000, 0.0001527800000000 ] - [ 0.0022194500000000, 0.0070459300000000, -0.0005312500000000 ] - [ 0.0001281100000000, 0.0027598500000000, -0.0000165000000000 ] - [ 0.0042592800000000, -0.0002485600000000, 0.0007860600000000 ] - [ -0.0005209900000000, 0.0020991600000000, 0.0000859500000000 ] - [ 0.0036216000000000, -0.0043677000000000, -0.0020750900000000 ] - [ -0.0017932300000000, -0.0188780500000000, 0.0012141700000000 ] - [ 0.0018016300000000, -0.0133650100000000, 0.0009887100000000 ] - [ -0.0004971300000000, 0.0024332900000000, -0.0001399000000000 ] - [ -0.0019981200000000, -0.0029611900000000, 0.0001776800000000 ] - [ -0.0017958300000000, 0.0037518500000000, -0.0003182100000000 ] - [ -0.0051918000000000, -0.0030177200000000, -0.0005933500000000 ] - [ 0.0010117100000000, 0.0026123200000000, 0.0000689400000000 ] - [ 0.0000014000000000, 0.0022436500000000, 0.0000738800000000 ] - [ 0.0000965600000000, 0.0019712700000000, -0.0000540900000000 ] - [ -0.0005711700000000, 0.0019596100000000, -0.0001189400000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000093800000000, 0.0004230800000000, 0.0000915200000000 ] - [ -0.0000582500000000, -0.0000422800000000, -0.0000280200000000 ] - [ 0.0029390800000000, -0.0088591800000000, -0.0210768100000000 ] - [ 0.0003453200000000, -0.0002249400000000, -0.0002665100000000 ] - [ 0.0002231600000000, 0.0000449800000000, -0.0001016600000000 ] - [ 0.0000351300000000, 0.0000777900000000, -0.0000022900000000 ] - [ -0.0000840700000000, 0.0001099600000000, -0.0001245300000000 ] - [ -0.0000770900000000, -0.0000409500000000, -0.0001177600000000 ] - [ 0.0003858500000000, 0.0001552200000000, 0.0002045400000000 ] - [ -0.0001939200000000, -0.0000188200000000, -0.0001083900000000 ] - [ 0.0002249200000000, 0.0002215600000000, -0.0001645200000000 ] - [ -0.0001349600000000, 0.0000745400000000, 0.0001123200000000 ] - [ -0.0001304500000000, -0.0000294800000000, 0.0001293300000000 ] - [ -0.0002005100000000, 0.0000770700000000, -0.0000931800000000 ] - [ 0.0000819300000000, -0.0054747800000000, 0.0008985200000000 ] - [ -0.0006666800000000, 0.0065759500000000, 0.0003145900000000 ] - [ 0.0001538600000000, -0.0003680300000000, -0.0002078400000000 ] - [ -0.0000464800000000, 0.0008222700000000, -0.0031779000000000 ] - [ 0.0003095400000000, -0.0001919100000000, 0.0004350700000000 ] - [ 0.0003106100000000, -0.0006571000000000, -0.0070748200000000 ] - [ 0.0004677100000000, 0.0002465000000000, -0.0007059300000000 ] - [ 0.0000949200000000, 0.0002960000000000, -0.0000331900000000 ] - [ -0.0001590600000000, 0.0000335700000000, -0.0002392400000000 ] - [ -0.0001228500000000, 0.0000217900000000, 0.0000463500000000 ] - [ 0.0000738800000000, 0.0002672500000000, 0.0000454100000000 ] - [ 0.0000702000000000, -0.0001716900000000, 0.0000478600000000 ] - [ 0.0001481600000000, 0.0001483100000000, 0.0003936000000000 ] - [ -0.0002458200000000, -0.0000409000000000, -0.0001887900000000 ] - [ -0.0002220000000000, -0.0000754800000000, 0.0001209700000000 ] - [ -0.0001767000000000, 0.0001985000000000, -0.0001444900000000 ] - [ 0.0002378800000000, 0.0000375900000000, -0.0000240400000000 ] - [ 0.0016871000000000, 0.0025687900000000, 0.0151842000000000 ] - [ 0.0002111700000000, 0.0002474400000000, 0.0004150100000000 ] - [ 0.0001961600000000, -0.0011763400000000, -0.0019307800000000 ] - [ 0.0003102100000000, 0.0002346400000000, -0.0002792100000000 ] - [ -0.0003518400000000, -0.0026354600000000, 0.0043552800000000 ] - [ -0.0002245700000000, -0.0000639500000000, -0.0001259800000000 ] - [ -0.0003325800000000, 0.0006931200000000, -0.0055968400000000 ] - [ -0.0002840000000000, -0.0000987900000000, -0.0000950800000000 ] - [ -0.0012131300000000, -0.0024404800000000, 0.0051052100000000 ] - [ -0.0000675500000000, 0.0000598300000000, 0.0000349300000000 ] - [ -0.0009588500000000, -0.0007445000000000, -0.0016801900000000 ] - [ 0.0002179000000000, 0.0001405500000000, 0.0000026000000000 ] - [ 0.0001813000000000, 0.0019282500000000, 0.0130811800000000 ] - [ -0.0001177600000000, 0.0000814500000000, -0.0000524800000000 ] - [ 0.0000631000000000, -0.0003750100000000, 0.0001296700000000 ] - [ -0.0001840900000000, 0.0001403300000000, 0.0001503800000000 ] - [ -0.0003506300000000, 0.0001797000000000, -0.0000510500000000 ] - [ -0.0002432000000000, 0.0000833900000000, -0.0001211100000000 ] - [ -0.0001312100000000, 0.0000410100000000, 0.0002451600000000 ] - [ -0.0002841600000000, -0.0000678700000000, -0.0000788500000000 ] - [ 0.0012766100000000, -0.0004690600000000, 0.0005702200000000 ] - [ 0.0001546500000000, -0.0000874300000000, -0.0000312500000000 ] - [ -0.0000931900000000, 0.0002052200000000, -0.0000111700000000 ] - [ -0.0000315500000000, -0.0001558600000000, 0.0000342100000000 ] - [ 0.0001986200000000, -0.0008957300000000, 0.0004812300000000 ] - [ -0.0017468600000000, -0.0002017700000000, 0.0027238800000000 ] - [ -0.0002816600000000, -0.0004241600000000, 0.0008438400000000 ] - [ -0.0002154500000000, -0.0000309200000000, 0.0000085700000000 ] - [ 0.0004629300000000, 0.0006363900000000, -0.0005873000000000 ] - [ 0.0000379400000000, -0.0001345100000000, -0.0000772000000000 ] - [ 0.0001210400000000, -0.0003910600000000, -0.0000296200000000 ] - [ -0.0000489900000000, -0.0000329600000000, -0.0001273700000000 ] - [ -0.0000159000000000, -0.0003317100000000, 0.0003800000000000 ] - [ -0.0001139300000000, 0.0003339900000000, 0.0000814900000000 ] - [ -0.0001809500000000, -0.0000612800000000, 0.0003170000000000 ] - [ -0.0002891800000000, -0.0000737400000000, -0.0000834400000000 ] - [ -0.0001161900000000, -0.0000553700000000, 0.0000849500000000 ] - [ 0.0001519400000000, 0.0000360300000000, 0.0000897900000000 ] - [ 0.0003692000000000, -0.0002360200000000, -0.0002391200000000 ] - [ -0.0001361700000000, -0.0001861500000000, -0.0000774500000000 ] - [ 0.0000061500000000, -0.0001271900000000, 0.0000018900000000 ] - [ 0.0045606000000000, -0.0002892100000000, -0.0011515900000000 ] - [ 0.0000051600000000, -0.0001285400000000, 0.0000892800000000 ] - [ -0.0002663800000000, -0.0000153300000000, 0.0000517000000000 ] - [ 0.0003203900000000, -0.0000702200000000, -0.0000752200000000 ] - [ -0.0003631700000000, 0.0003443100000000, -0.0001865800000000 ] - [ 0.0007560600000000, 0.0005531300000000, -0.0097804500000000 ] - [ 0.0011374000000000, 0.0075219000000000, -0.0001518700000000 ] - [ -0.0000545500000000, 0.0000953900000000, 0.0000368800000000 ] - [ -0.0002579100000000, -0.0001459400000000, -0.0001307500000000 ] - [ -0.0002451800000000, -0.0001250100000000, -0.0001048000000000 ] - [ 0.0003136700000000, 0.0005108400000000, -0.0001244900000000 ] - [ -0.0024773800000000, 0.0000043200000000, 0.0023717200000000 ] - [ -0.0004193200000000, -0.0003486300000000, -0.0001628100000000 ] - [ -0.0001503000000000, -0.0001365900000000, 0.0002410000000000 ] - [ 0.0004041600000000, 0.0007323200000000, 0.0003498600000000 ] - [ -0.0001511400000000, 0.0000972700000000, 0.0003134900000000 ] - [ 0.0003148200000000, -0.0002519400000000, -0.0005392800000000 ] - [ 0.0004392600000000, 0.0007178000000000, 0.0003590600000000 ] - [ -0.0002039300000000, -0.0000706500000000, -0.0000011200000000 ] - [ -0.0001253300000000, -0.0006485900000000, 0.0007062600000000 ] - [ -0.0000877400000000, -0.0000013000000000, 0.0000842100000000 ] - [ 0.0004912800000000, 0.0007026400000000, 0.0001156100000000 ] - [ -0.0010062900000000, -0.0024100300000000, 0.0041969000000000 ] - [ -0.0036358800000000, 0.0013627900000000, -0.0011015300000000 ] - [ -0.0002539200000000, -0.0000395800000000, 0.0000670800000000 ] - [ -0.0000698200000000, 0.0005261400000000, 0.0009965200000000 ] - [ 0.0000462900000000, 0.0006684800000000, 0.0000080800000000 ] - [ 0.0000307300000000, 0.0016113100000000, 0.0014985100000000 ] - [ -0.0000424300000000, 0.0000748200000000, 0.0000384500000000 ] - [ -0.0000772700000000, -0.0005179100000000, 0.0000547200000000 ] - [ 0.0000536800000000, -0.0001106200000000, -0.0000213100000000 ] - [ -0.0002106800000000, 0.0000374200000000, -0.0000529400000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000089800000000, -0.0005352000000000, -0.0001071400000000 ] - [ 0.0000560000000000, -0.0000839600000000, 0.0000086500000000 ] - [ -0.0029242900000000, 0.0083048600000000, 0.0203441300000000 ] - [ -0.0001777800000000, 0.0000755900000000, 0.0000115700000000 ] - [ -0.0002223500000000, 0.0000832600000000, 0.0000793700000000 ] - [ -0.0000340600000000, 0.0000551500000000, -0.0000176500000000 ] - [ -0.0000748300000000, 0.0000399000000000, -0.0001273000000000 ] - [ -0.0000817300000000, -0.0001029900000000, -0.0001332900000000 ] - [ 0.0000414800000000, -0.0000671500000000, -0.0003761600000000 ] - [ -0.0002269200000000, -0.0000736300000000, -0.0000586200000000 ] - [ 0.0000730300000000, -0.0001355500000000, 0.0003750900000000 ] - [ -0.0001577600000000, 0.0000191600000000, 0.0000934600000000 ] - [ -0.0001623700000000, -0.0000598800000000, 0.0000758800000000 ] - [ -0.0002204400000000, 0.0000198300000000, -0.0000740300000000 ] - [ 0.0001765300000000, 0.0053580800000000, -0.0007810300000000 ] - [ 0.0010540500000000, -0.0066801800000000, -0.0003832000000000 ] - [ 0.0000555100000000, -0.0001813500000000, 0.0001556100000000 ] - [ -0.0000063200000000, -0.0003446000000000, 0.0032432400000000 ] - [ -0.0000933200000000, 0.0002430600000000, -0.0003215500000000 ] - [ 0.0003867300000000, 0.0003450400000000, 0.0068203800000000 ] - [ 0.0001143100000000, 0.0000049200000000, 0.0004958500000000 ] - [ 0.0001145100000000, 0.0002582100000000, -0.0000167700000000 ] - [ -0.0000772500000000, -0.0000122500000000, 0.0001568800000000 ] - [ -0.0000870400000000, -0.0000686500000000, 0.0000575900000000 ] - [ 0.0000701700000000, 0.0001844400000000, 0.0000287200000000 ] - [ 0.0000734200000000, -0.0002715800000000, 0.0000266100000000 ] - [ 0.0004260900000000, -0.0002533900000000, -0.0004951400000000 ] - [ -0.0001488300000000, -0.0001614200000000, -0.0001896200000000 ] - [ -0.0001664100000000, -0.0001321200000000, 0.0001811300000000 ] - [ -0.0002160600000000, 0.0000104800000000, -0.0002337300000000 ] - [ 0.0003394200000000, 0.0000756000000000, -0.0000873500000000 ] - [ -0.0012214900000000, -0.0024523000000000, -0.0150454900000000 ] - [ 0.0000369500000000, -0.0002644000000000, -0.0004828400000000 ] - [ 0.0001736000000000, 0.0009512200000000, 0.0015304200000000 ] - [ 0.0000896800000000, -0.0000174500000000, -0.0001018700000000 ] - [ 0.0006999000000000, 0.0028316600000000, -0.0040035100000000 ] - [ -0.0003500000000000, -0.0000481400000000, 0.0000133800000000 ] - [ 0.0001222100000000, -0.0011486000000000, 0.0056313800000000 ] - [ -0.0003132700000000, -0.0001549800000000, -0.0001082400000000 ] - [ 0.0016970100000000, 0.0021985900000000, -0.0047917800000000 ] - [ -0.0001417000000000, -0.0000056900000000, 0.0000688500000000 ] - [ 0.0003881100000000, 0.0008325800000000, 0.0015460500000000 ] - [ 0.0000166700000000, -0.0001166800000000, -0.0000833200000000 ] - [ -0.0005605200000000, -0.0011709600000000, -0.0131010700000000 ] - [ -0.0001188300000000, -0.0000930900000000, -0.0000288000000000 ] - [ -0.0002612200000000, -0.0001823500000000, -0.0001739400000000 ] - [ -0.0002036800000000, 0.0000746800000000, 0.0001523400000000 ] - [ -0.0002479000000000, 0.0000812000000000, -0.0001522400000000 ] - [ -0.0002578400000000, 0.0001436700000000, -0.0001282700000000 ] - [ -0.0001557500000000, 0.0001568700000000, 0.0002333900000000 ] - [ -0.0003168100000000, 0.0002042300000000, -0.0000858500000000 ] - [ -0.0009842600000000, 0.0006687000000000, -0.0001107500000000 ] - [ 0.0003520300000000, -0.0000150600000000, -0.0000676200000000 ] - [ -0.0000240900000000, -0.0000349000000000, -0.0000380500000000 ] - [ -0.0000379800000000, -0.0000971500000000, 0.0000389500000000 ] - [ -0.0002888700000000, 0.0007016300000000, -0.0005315800000000 ] - [ 0.0021762000000000, 0.0001712300000000, -0.0027501500000000 ] - [ 0.0003384400000000, 0.0001759500000000, -0.0007612500000000 ] - [ -0.0002018700000000, 0.0000808000000000, -0.0000089100000000 ] - [ -0.0002790000000000, -0.0006799100000000, 0.0007427700000000 ] - [ 0.0000799800000000, 0.0000574200000000, -0.0001251500000000 ] - [ 0.0002795500000000, 0.0004338700000000, 0.0000221000000000 ] - [ -0.0000662000000000, 0.0001016500000000, -0.0000726600000000 ] - [ 0.0000749700000000, 0.0000866700000000, -0.0003093600000000 ] - [ -0.0000919800000000, 0.0003795400000000, 0.0000843300000000 ] - [ -0.0001891100000000, -0.0000192700000000, 0.0003160500000000 ] - [ -0.0003105500000000, -0.0000702300000000, -0.0000817000000000 ] - [ -0.0000832200000000, -0.0000017000000000, 0.0000835800000000 ] - [ 0.0004180200000000, -0.0000583500000000, 0.0000384800000000 ] - [ 0.0003707600000000, -0.0004915900000000, -0.0001384700000000 ] - [ 0.0000153000000000, 0.0001109400000000, -0.0001244400000000 ] - [ 0.0000260100000000, 0.0003885700000000, 0.0000678200000000 ] - [ -0.0041807900000000, 0.0002402200000000, 0.0018881000000000 ] - [ -0.0000411700000000, -0.0001300200000000, -0.0000178100000000 ] - [ -0.0003061800000000, -0.0000052100000000, 0.0000733800000000 ] - [ 0.0002802700000000, 0.0002138900000000, -0.0000901100000000 ] - [ -0.0003862000000000, 0.0003809500000000, -0.0001872200000000 ] - [ -0.0005875000000000, -0.0004477300000000, 0.0099095000000000 ] - [ -0.0003403500000000, -0.0064684400000000, 0.0002088800000000 ] - [ -0.0000165000000000, 0.0001524800000000, 0.0000364800000000 ] - [ -0.0002428300000000, -0.0000881400000000, -0.0001190100000000 ] - [ -0.0002625600000000, 0.0000238900000000, 0.0000034100000000 ] - [ -0.0001956900000000, -0.0004369300000000, -0.0000755200000000 ] - [ 0.0026966000000000, -0.0002046800000000, -0.0019397100000000 ] - [ -0.0003297700000000, -0.0003809000000000, -0.0002101400000000 ] - [ -0.0001375200000000, -0.0000687300000000, 0.0002374100000000 ] - [ -0.0000523400000000, -0.0006403500000000, 0.0002933200000000 ] - [ -0.0002197400000000, -0.0000206600000000, 0.0003189500000000 ] - [ -0.0000796900000000, -0.0004747700000000, 0.0006996600000000 ] - [ 0.0000772900000000, -0.0006034400000000, -0.0004507400000000 ] - [ -0.0002139700000000, 0.0000137800000000, 0.0000007900000000 ] - [ 0.0006696200000000, 0.0006524700000000, -0.0005764100000000 ] - [ -0.0001101300000000, 0.0000536300000000, 0.0000842900000000 ] - [ 0.0000081200000000, -0.0009207400000000, -0.0003561400000000 ] - [ 0.0010800400000000, 0.0026668000000000, -0.0041243500000000 ] - [ 0.0041179000000000, -0.0011189500000000, 0.0009324900000000 ] - [ -0.0003177300000000, 0.0000547400000000, 0.0000587800000000 ] - [ 0.0002786300000000, 0.0001938400000000, -0.0008178000000000 ] - [ 0.0000683700000000, -0.0004966800000000, -0.0000565500000000 ] - [ 0.0005629800000000, -0.0017368800000000, -0.0017063200000000 ] - [ 0.0000038500000000, 0.0001775700000000, 0.0000326100000000 ] - [ -0.0001280900000000, -0.0002039600000000, 0.0001104100000000 ] - [ 0.0000613300000000, -0.0000602200000000, -0.0000284900000000 ] - [ -0.0003000700000000, 0.0000606100000000, -0.0000463600000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0019718900000000, -0.0005380600000000, 0.0001534000000000 ] - [ 0.0002670400000000, 0.0002040700000000, 0.0000038000000000 ] - [ 0.0053773000000000, 0.0004456700000000, 0.0000481100000000 ] - [ -0.0087357500000000, 0.0005003600000000, -0.0009938600000000 ] - [ -0.0034263900000000, 0.0092717000000000, 0.0010959200000000 ] - [ -0.0002898000000000, -0.0004101200000000, 0.0000134200000000 ] - [ 0.0000147000000000, -0.0001933500000000, -0.0001365400000000 ] - [ -0.0002484100000000, 0.0000840900000000, -0.0001418300000000 ] - [ -0.2104260300000000, 0.0110038200000000, 0.0025188900000000 ] - [ 0.0002889900000000, -0.0007242600000000, -0.0004624700000000 ] - [ -0.0485985200000000, 0.0012976100000000, 0.0001079000000000 ] - [ -0.0002208900000000, -0.0001157000000000, 0.0000567200000000 ] - [ 0.0003225000000000, -0.0007693600000000, 0.0004917300000000 ] - [ -0.0002792900000000, -0.0001108300000000, -0.0000380200000000 ] - [ 0.0023392300000000, -0.0000259200000000, 0.0008786500000000 ] - [ 0.0024601500000000, -0.0000173700000000, -0.0008821100000000 ] - [ 0.0001239000000000, 0.0008240600000000, 0.0001622000000000 ] - [ 0.0025300800000000, -0.0066669400000000, 0.0013712700000000 ] - [ -0.0016417900000000, -0.0040601400000000, 0.0001825700000000 ] - [ 0.0270712400000000, -0.0010222900000000, 0.0062135900000000 ] - [ 0.0009616900000000, 0.0046360400000000, -0.0011497700000000 ] - [ 0.0001307300000000, 0.0002106000000000, -0.0000612200000000 ] - [ -0.0011732900000000, -0.0037489100000000, 0.0000020400000000 ] - [ 0.0000901700000000, -0.0002298900000000, 0.0000738300000000 ] - [ -0.0002218400000000, -0.0002373200000000, 0.0000333200000000 ] - [ 0.0001478800000000, -0.0003308400000000, 0.0000513300000000 ] - [ -0.0001771600000000, 0.0020529900000000, -0.0001142700000000 ] - [ 0.0001710900000000, -0.0002973500000000, -0.0001476500000000 ] - [ 0.0004297800000000, -0.0001471000000000, 0.0002645000000000 ] - [ -0.0045562000000000, -0.0016718900000000, -0.0006474500000000 ] - [ 0.0004241400000000, 0.0001342000000000, -0.0000195300000000 ] - [ 0.0082461900000000, -0.0016005500000000, 0.0021729900000000 ] - [ 0.0088334900000000, -0.0105080000000000, 0.0053262700000000 ] - [ 0.0064428000000000, -0.0040320400000000, -0.0012308200000000 ] - [ -0.0004511200000000, -0.0016854600000000, -0.0000256700000000 ] - [ 0.0129361900000000, -0.0102523500000000, -0.0077414800000000 ] - [ -0.0014491400000000, 0.0005323800000000, -0.0003036100000000 ] - [ 0.0227431900000000, 0.0079690500000000, -0.0058363500000000 ] - [ -0.0005225000000000, -0.0003662500000000, -0.0001299800000000 ] - [ 0.0033675300000000, 0.0041522500000000, 0.0013099000000000 ] - [ -0.0015917700000000, -0.0003634600000000, 0.0000206100000000 ] - [ 0.0048260300000000, 0.0036525400000000, 0.0005555500000000 ] - [ 0.0010887900000000, -0.0004204000000000, 0.0000443800000000 ] - [ 0.0080806100000000, 0.0030633200000000, -0.0012215400000000 ] - [ 0.0001199000000000, -0.0005760700000000, 0.0000775800000000 ] - [ -0.0033919600000000, 0.0009099300000000, 0.0000280200000000 ] - [ -0.0004213800000000, -0.0001701100000000, 0.0001370400000000 ] - [ 0.0007788200000000, 0.0003035200000000, -0.0000833000000000 ] - [ -0.0004168100000000, 0.0002393900000000, -0.0002039600000000 ] - [ -0.0004380200000000, 0.0001191500000000, 0.0002791100000000 ] - [ -0.0005102400000000, -0.0006957600000000, -0.0000865000000000 ] - [ -0.0030431300000000, -0.0059875500000000, -0.0009876700000000 ] - [ 0.0014077400000000, 0.0003621000000000, -0.0000632600000000 ] - [ 0.0006509000000000, -0.0001971900000000, -0.0000750800000000 ] - [ -0.0000913200000000, -0.0000320900000000, 0.0000338000000000 ] - [ -0.0023519300000000, -0.0021404200000000, 0.0001266400000000 ] - [ -0.0064980600000000, 0.0018771100000000, -0.0010821700000000 ] - [ 0.0690494100000000, 0.0265888300000000, -0.0475336800000000 ] - [ 0.0006961600000000, 0.0005188700000000, -0.0000671000000000 ] - [ 0.0418662600000000, -0.0242662800000000, -0.0264640600000000 ] - [ -0.0003437000000000, 0.0006941100000000, -0.0001152100000000 ] - [ 0.0013720900000000, 0.0028919300000000, -0.0002536400000000 ] - [ -0.0004388000000000, 0.0003403700000000, -0.0001201500000000 ] - [ -0.0011304000000000, -0.0003143900000000, -0.0000043900000000 ] - [ 0.0000466600000000, 0.0006049500000000, 0.0000813400000000 ] - [ -0.0001314500000000, 0.0000737700000000, 0.0003149200000000 ] - [ -0.0002948700000000, -0.0000098800000000, -0.0000781800000000 ] - [ 0.0001160100000000, 0.0001000200000000, 0.0000877600000000 ] - [ 0.0001679500000000, 0.0012709700000000, 0.0001334300000000 ] - [ 0.0032577200000000, 0.0013191300000000, 0.0000800200000000 ] - [ 0.0004862500000000, 0.0044351200000000, -0.0017806000000000 ] - [ 0.0393599200000000, -0.0325287200000000, 0.0311008800000000 ] - [ -0.0061328800000000, -0.0006509100000000, -0.0009641900000000 ] - [ -0.0008471900000000, 0.0016613400000000, 0.0000811500000000 ] - [ 0.0022335900000000, 0.0009106000000000, 0.0002034900000000 ] - [ 0.0014505200000000, -0.0014598600000000, -0.0002191000000000 ] - [ -0.0004827500000000, 0.0004374200000000, -0.0001726400000000 ] - [ -0.0030890900000000, -0.0013417500000000, -0.0000515100000000 ] - [ -0.0073779500000000, 0.0008636900000000, -0.0003734700000000 ] - [ 0.0000644500000000, 0.0006191000000000, 0.0000640500000000 ] - [ 0.0000306800000000, 0.0002073000000000, -0.0000267900000000 ] - [ 0.0024787300000000, -0.0011295500000000, -0.0001324000000000 ] - [ -0.0022092600000000, 0.0034095300000000, 0.0004634500000000 ] - [ -0.0050070700000000, 0.0051676300000000, 0.0005844900000000 ] - [ 0.0003426300000000, -0.0011880100000000, -0.0001788000000000 ] - [ -0.0000147300000000, 0.0001983100000000, 0.0001997200000000 ] - [ 0.0008338600000000, -0.0025810000000000, 0.0004793500000000 ] - [ -0.0006491100000000, -0.0003894500000000, 0.0003573600000000 ] - [ -0.0020747500000000, -0.0014882200000000, 0.0003272600000000 ] - [ -0.0053026500000000, 0.0007095200000000, 0.0000125000000000 ] - [ -0.0003168900000000, 0.0001199200000000, 0.0000093200000000 ] - [ -0.0026560300000000, 0.0013273900000000, -0.0000366700000000 ] - [ -0.0006630700000000, 0.0005372000000000, 0.0000887400000000 ] - [ -0.0003915000000000, 0.0038198000000000, 0.0006124900000000 ] - [ -0.0036246700000000, 0.0020238600000000, -0.0004056100000000 ] - [ -0.0045855600000000, -0.0011436400000000, 0.0005510700000000 ] - [ -0.0005540800000000, 0.0002213900000000, 0.0000444500000000 ] - [ 0.0693074900000000, 0.0187388100000000, 0.0422648500000000 ] - [ -0.0005658000000000, -0.0015273900000000, -0.0000288800000000 ] - [ -0.0066968000000000, -0.0035460600000000, 0.0008781500000000 ] - [ 0.0000585500000000, 0.0004398800000000, 0.0000114900000000 ] - [ -0.0008471000000000, 0.0000259000000000, 0.0000472000000000 ] - [ 0.0001753700000000, -0.0002429400000000, 0.0000194300000000 ] - [ -0.0004380300000000, 0.0000308200000000, -0.0000602800000000 ]- atom: 9 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0019753200000000, 0.0004169600000000, -0.0001738000000000 ] - [ -0.0002655800000000, -0.0003348400000000, -0.0000235800000000 ] - [ -0.0052191800000000, -0.0003043200000000, -0.0002961300000000 ] - [ 0.0088858600000000, -0.0005620300000000, 0.0007266200000000 ] - [ 0.0033932100000000, -0.0091796400000000, -0.0010988400000000 ] - [ 0.0002887000000000, 0.0005401400000000, -0.0000331500000000 ] - [ -0.0001732800000000, 0.0003401900000000, -0.0001153700000000 ] - [ 0.0000878300000000, -0.0002315100000000, -0.0001091200000000 ] - [ 0.2098660900000000, -0.0105992400000000, -0.0065831700000000 ] - [ -0.0007101100000000, 0.0006299000000000, 0.0002968600000000 ] - [ 0.0488726100000000, -0.0012101200000000, 0.0000854900000000 ] - [ -0.0000736300000000, 0.0002078300000000, 0.0001483800000000 ] - [ -0.0006158200000000, 0.0006789200000000, -0.0002879900000000 ] - [ -0.0001434000000000, 0.0002060000000000, -0.0001285700000000 ] - [ -0.0020441400000000, -0.0000699000000000, -0.0006704000000000 ] - [ -0.0020363400000000, -0.0000826900000000, 0.0007121600000000 ] - [ 0.0000846300000000, -0.0013752500000000, -0.0002106200000000 ] - [ -0.0026840100000000, 0.0070693300000000, -0.0012664000000000 ] - [ 0.0018437000000000, 0.0041173800000000, -0.0000825400000000 ] - [ -0.0263404700000000, 0.0008716000000000, -0.0062189800000000 ] - [ -0.0003538900000000, -0.0043900100000000, 0.0009518200000000 ] - [ 0.0000835500000000, 0.0003424400000000, 0.0000116300000000 ] - [ 0.0009586900000000, 0.0037814500000000, -0.0000615900000000 ] - [ -0.0003008000000000, 0.0001787800000000, 0.0000303800000000 ] - [ 0.0003683000000000, 0.0006836200000000, 0.0000399900000000 ] - [ -0.0000057000000000, -0.0001167500000000, 0.0000225600000000 ] - [ 0.0007463300000000, -0.0021626900000000, 0.0000008600000000 ] - [ -0.0005631500000000, 0.0000914200000000, -0.0002308500000000 ] - [ -0.0008198000000000, -0.0000654800000000, 0.0000376900000000 ] - [ 0.0041577700000000, 0.0018667200000000, 0.0002660300000000 ] - [ 0.0001573400000000, -0.0000211200000000, -0.0000923300000000 ] - [ -0.0080624400000000, 0.0015440400000000, -0.0021057200000000 ] - [ -0.0085475900000000, 0.0105717600000000, -0.0054725100000000 ] - [ -0.0060641500000000, 0.0038659600000000, 0.0008691200000000 ] - [ 0.0008411500000000, 0.0018905300000000, -0.0003508100000000 ] - [ -0.0125226500000000, 0.0103602800000000, 0.0079101600000000 ] - [ 0.0008698200000000, -0.0006428700000000, 0.0001926700000000 ] - [ -0.0229055400000000, -0.0085507000000000, 0.0060776100000000 ] - [ -0.0000742300000000, 0.0001105300000000, -0.0000731900000000 ] - [ -0.0029751200000000, -0.0043835500000000, -0.0010130200000000 ] - [ 0.0013793300000000, 0.0004109300000000, 0.0000846400000000 ] - [ -0.0054229100000000, -0.0035270400000000, -0.0006607800000000 ] - [ -0.0008564200000000, 0.0004360500000000, -0.0001255600000000 ] - [ -0.0082969200000000, -0.0025025200000000, 0.0011608700000000 ] - [ -0.0003581400000000, 0.0005574900000000, -0.0001578000000000 ] - [ 0.0031864800000000, -0.0014606900000000, -0.0000780200000000 ] - [ 0.0000323500000000, 0.0003824400000000, 0.0001649600000000 ] - [ -0.0013779600000000, -0.0000474900000000, -0.0001204700000000 ] - [ -0.0000840000000000, -0.0000089300000000, -0.0000459600000000 ] - [ 0.0001506300000000, 0.0000819800000000, 0.0001999000000000 ] - [ -0.0000873000000000, 0.0008372200000000, -0.0000779900000000 ] - [ 0.0033195400000000, 0.0062028900000000, 0.0014466600000000 ] - [ -0.0008961000000000, -0.0004608800000000, -0.0000367800000000 ] - [ -0.0007672600000000, 0.0003640100000000, 0.0000246700000000 ] - [ 0.0000233000000000, -0.0002183200000000, 0.0000387200000000 ] - [ 0.0022478400000000, 0.0019671000000000, -0.0001748700000000 ] - [ 0.0069421200000000, -0.0019299500000000, 0.0010708800000000 ] - [ -0.0702904600000000, -0.0281827600000000, 0.0498802500000000 ] - [ -0.0011120300000000, -0.0004604800000000, 0.0000670800000000 ] - [ -0.0417372100000000, 0.0236741800000000, 0.0260815400000000 ] - [ 0.0004620500000000, -0.0007652400000000, -0.0000869900000000 ] - [ -0.0009458400000000, -0.0028307800000000, 0.0002543600000000 ] - [ 0.0003229400000000, -0.0002675000000000, -0.0000808000000000 ] - [ 0.0011690600000000, 0.0000626700000000, 0.0000744700000000 ] - [ -0.0002544100000000, 0.0001086900000000, 0.0000839800000000 ] - [ -0.0002398900000000, -0.0001513800000000, 0.0003175500000000 ] - [ -0.0003061400000000, -0.0001324000000000, -0.0000864500000000 ] - [ -0.0003158100000000, -0.0001540300000000, 0.0000811300000000 ] - [ 0.0004072300000000, -0.0012926500000000, -0.0000074600000000 ] - [ -0.0025082400000000, -0.0020553300000000, -0.0004512000000000 ] - [ -0.0006221100000000, -0.0044683100000000, 0.0015652000000000 ] - [ -0.0390580700000000, 0.0332039200000000, -0.0314261000000000 ] - [ 0.0065437300000000, 0.0005416400000000, 0.0016227500000000 ] - [ 0.0008058400000000, -0.0019230000000000, -0.0000165600000000 ] - [ -0.0028115000000000, -0.0009272500000000, -0.0000781500000000 ] - [ -0.0008557500000000, 0.0016023700000000, 0.0000549500000000 ] - [ -0.0002672100000000, 0.0002907300000000, -0.0002007100000000 ] - [ 0.0032856900000000, 0.0014013600000000, 0.0002191600000000 ] - [ 0.0081371600000000, -0.0001362300000000, 0.0000053000000000 ] - [ -0.0001357500000000, -0.0003691600000000, 0.0000084700000000 ] - [ -0.0005321200000000, -0.0004367200000000, -0.0002235400000000 ] - [ -0.0029791400000000, 0.0010371100000000, 0.0000349600000000 ] - [ 0.0023109900000000, -0.0033668600000000, -0.0006564400000000 ] - [ 0.0052904300000000, -0.0053544100000000, -0.0000978100000000 ] - [ -0.0010884300000000, 0.0004604700000000, -0.0001945200000000 ] - [ -0.0002742000000000, -0.0003992900000000, 0.0002791800000000 ] - [ -0.0004731800000000, 0.0026602700000000, 0.0001542400000000 ] - [ 0.0002794300000000, 0.0004671500000000, 0.0002745300000000 ] - [ 0.0022784000000000, 0.0007789600000000, -0.0001624800000000 ] - [ 0.0058232700000000, -0.0006237300000000, -0.0001141600000000 ] - [ -0.0001007400000000, -0.0001742000000000, -0.0000089700000000 ] - [ 0.0032176300000000, -0.0013190200000000, 0.0001642400000000 ] - [ 0.0004634500000000, -0.0004833400000000, 0.0000801800000000 ] - [ 0.0009281700000000, -0.0040730300000000, -0.0008763800000000 ] - [ 0.0036917700000000, -0.0017591800000000, 0.0004700800000000 ] - [ 0.0050468600000000, 0.0013982600000000, -0.0007632800000000 ] - [ -0.0000182200000000, -0.0002017200000000, 0.0000815700000000 ] - [ -0.0670994000000000, -0.0168419500000000, -0.0397058000000000 ] - [ 0.0006885000000000, 0.0016903300000000, -0.0000206800000000 ] - [ 0.0072991200000000, 0.0033902100000000, -0.0010593800000000 ] - [ -0.0000939800000000, -0.0001837300000000, 0.0000589900000000 ] - [ 0.0006394000000000, -0.0007429000000000, 0.0001179000000000 ] - [ -0.0000612800000000, 0.0000737300000000, -0.0000692500000000 ] - [ -0.0000738000000000, 0.0000672000000000, -0.0000393200000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0012419600000000, -0.0003367300000000, -0.0001824200000000 ] - [ 0.0001872200000000, 0.0014369300000000, 0.0000540500000000 ] - [ -0.0005297800000000, -0.0026174300000000, -0.0000129300000000 ] - [ 0.0014026700000000, 0.0181523300000000, -0.0066727200000000 ] - [ 0.0087739900000000, 0.0128102300000000, 0.0044699600000000 ] - [ -0.0000130700000000, 0.0022481500000000, -0.0001029200000000 ] - [ -0.0002362600000000, 0.0018256800000000, -0.0000979200000000 ] - [ 0.0003259600000000, 0.0017912700000000, -0.0001533200000000 ] - [ 0.0113359600000000, -0.2225590200000000, 0.0329972700000000 ] - [ -0.0008883400000000, 0.0012813800000000, 0.0002844900000000 ] - [ 0.0020534300000000, -0.0453926100000000, 0.0006805600000000 ] - [ 0.0000210900000000, 0.0013581000000000, 0.0002085700000000 ] - [ -0.0008071900000000, 0.0012780300000000, -0.0002567700000000 ] - [ -0.0000521200000000, 0.0013632700000000, -0.0002020500000000 ] - [ 0.0000380400000000, 0.0001931300000000, -0.0003153000000000 ] - [ 0.0001771600000000, 0.0001829200000000, 0.0003180700000000 ] - [ 0.0011763900000000, 0.0004854100000000, -0.0002170800000000 ] - [ -0.0024516200000000, 0.0010003500000000, 0.0012026300000000 ] - [ -0.0011884600000000, 0.0032172600000000, 0.0001879000000000 ] - [ 0.0061270400000000, -0.0105747300000000, -0.0006235400000000 ] - [ 0.0010698800000000, 0.0012695300000000, -0.0001268300000000 ] - [ 0.0000487000000000, 0.0024225300000000, 0.0000075300000000 ] - [ -0.0016023900000000, 0.0038293300000000, -0.0003877000000000 ] - [ 0.0000402900000000, 0.0018817000000000, 0.0000411700000000 ] - [ -0.0003245600000000, 0.0029551500000000, 0.0000191600000000 ] - [ 0.0001875700000000, 0.0018123600000000, 0.0000639100000000 ] - [ 0.0041336600000000, -0.0005433000000000, -0.0003769400000000 ] - [ -0.0001877100000000, 0.0017423400000000, -0.0002157400000000 ] - [ -0.0004013200000000, 0.0017290100000000, 0.0000381100000000 ] - [ 0.0011287900000000, 0.0045567600000000, -0.0003708700000000 ] - [ 0.0007650100000000, 0.0022226500000000, -0.0000948500000000 ] - [ -0.0016934800000000, -0.0074412400000000, 0.0009894500000000 ] - [ -0.0146131100000000, 0.0125739800000000, -0.0057627500000000 ] - [ -0.0037848800000000, -0.0060510900000000, -0.0012295000000000 ] - [ -0.0001095400000000, 0.0024987300000000, -0.0001130300000000 ] - [ -0.0181877600000000, 0.0028890100000000, 0.0037047900000000 ] - [ 0.0002885600000000, 0.0022039800000000, 0.0000136900000000 ] - [ 0.0114901800000000, -0.0013610200000000, -0.0014141900000000 ] - [ -0.0003328800000000, 0.0020610600000000, -0.0000142600000000 ] - [ 0.0021421700000000, -0.0011726300000000, 0.0013215700000000 ] - [ 0.0007047000000000, 0.0028711100000000, 0.0001287300000000 ] - [ -0.0008571600000000, -0.0018376600000000, 0.0001323300000000 ] - [ -0.0007478200000000, 0.0017382800000000, -0.0000716300000000 ] - [ -0.0009068300000000, -0.0040087200000000, -0.0018799600000000 ] - [ -0.0002446600000000, 0.0020630100000000, -0.0002147900000000 ] - [ 0.0018209800000000, 0.0019512400000000, 0.0001016500000000 ] - [ -0.0002017700000000, 0.0024369500000000, 0.0002802700000000 ] - [ -0.0004258200000000, 0.0016403800000000, -0.0001468000000000 ] - [ -0.0003389400000000, -0.0016745300000000, -0.0000379300000000 ] - [ -0.0000362600000000, -0.0016001400000000, 0.0001603900000000 ] - [ -0.0013768100000000, -0.0006896700000000, -0.0000084900000000 ] - [ -0.0024243300000000, -0.0002196000000000, 0.0006853900000000 ] - [ -0.0000146500000000, -0.0014599300000000, -0.0001021000000000 ] - [ -0.0008465200000000, -0.0019774800000000, -0.0000489400000000 ] - [ 0.0001130100000000, -0.0014726600000000, 0.0000280800000000 ] - [ -0.0007525500000000, 0.0022785000000000, -0.0001341600000000 ] - [ -0.0017153700000000, 0.0060882000000000, -0.0016847500000000 ] - [ 0.0286359300000000, 0.0434695400000000, -0.0329158800000000 ] - [ -0.0001946600000000, -0.0025160000000000, 0.0000866400000000 ] - [ -0.0249978900000000, 0.0650105000000000, 0.0429446300000000 ] - [ 0.0007342500000000, -0.0017420200000000, 0.0001111600000000 ] - [ 0.0010635700000000, -0.0017299100000000, 0.0002089300000000 ] - [ 0.0004319800000000, -0.0014274200000000, -0.0002889300000000 ] - [ 0.0000989500000000, -0.0010028000000000, 0.0000394400000000 ] - [ -0.0001745800000000, -0.0012550300000000, 0.0000952100000000 ] - [ 0.0003697900000000, -0.0017210300000000, 0.0003814100000000 ] - [ 0.0000615800000000, -0.0019066700000000, -0.0001486300000000 ] - [ -0.0005942000000000, -0.0015587000000000, 0.0000686000000000 ] - [ 0.0010735600000000, -0.0018636800000000, -0.0001197800000000 ] - [ -0.0001434500000000, -0.0033611800000000, 0.0001457200000000 ] - [ 0.0007908500000000, -0.0038851700000000, 0.0006454200000000 ] - [ -0.0360212500000000, 0.0850073200000000, -0.0591756900000000 ] - [ 0.0038042500000000, 0.0065207600000000, -0.0041278300000000 ] - [ 0.0015608800000000, -0.0024871700000000, 0.0000048600000000 ] - [ -0.0009571300000000, -0.0027577100000000, -0.0003066900000000 ] - [ -0.0002729600000000, -0.0015425400000000, 0.0000653000000000 ] - [ -0.0006401100000000, -0.0009436100000000, -0.0002769700000000 ] - [ -0.0005279000000000, 0.0004233000000000, -0.0001625500000000 ] - [ 0.0009352500000000, 0.0032053600000000, 0.0000108800000000 ] - [ 0.0001375100000000, -0.0013698400000000, 0.0000254500000000 ] - [ -0.0001548300000000, -0.0025387900000000, -0.0002224900000000 ] - [ -0.0032202100000000, -0.0021784500000000, -0.0000689400000000 ] - [ 0.0056889300000000, -0.0013048500000000, -0.0019966900000000 ] - [ 0.0040111900000000, 0.0044881400000000, 0.0043601200000000 ] - [ -0.0012445700000000, -0.0016296900000000, -0.0001355500000000 ] - [ -0.0001851500000000, -0.0023294700000000, 0.0002608300000000 ] - [ -0.0010295600000000, -0.0003863000000000, 0.0003155800000000 ] - [ -0.0006495200000000, -0.0010469400000000, 0.0003346800000000 ] - [ -0.0005107200000000, -0.0012998300000000, 0.0000735300000000 ] - [ 0.0020886000000000, 0.0013305200000000, 0.0003310700000000 ] - [ -0.0004363800000000, -0.0017358800000000, 0.0000353900000000 ] - [ 0.0076562700000000, 0.0027314500000000, 0.0024560100000000 ] - [ 0.0005812500000000, -0.0014559100000000, 0.0000814900000000 ] - [ 0.0027985600000000, -0.0027557100000000, -0.0006243400000000 ] - [ 0.0012902900000000, 0.0001255600000000, -0.0002335500000000 ] - [ -0.0031251400000000, 0.0029931800000000, 0.0016959700000000 ] - [ -0.0000205000000000, -0.0014220500000000, 0.0002293100000000 ] - [ 0.0185671300000000, 0.0370011500000000, 0.0210661600000000 ] - [ -0.0011482500000000, 0.0004784900000000, -0.0002441100000000 ] - [ -0.0007955200000000, 0.0029878400000000, 0.0000469900000000 ] - [ -0.0005322200000000, -0.0016494200000000, 0.0000485500000000 ] - [ 0.0002724300000000, -0.0011530600000000, 0.0001094500000000 ] - [ -0.0004207700000000, -0.0021050200000000, -0.0000505300000000 ] - [ -0.0006720600000000, -0.0010613300000000, -0.0000261700000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0012389100000000, 0.0001977700000000, 0.0001588100000000 ] - [ -0.0001887900000000, -0.0015667300000000, -0.0000744500000000 ] - [ 0.0006902300000000, 0.0027722400000000, -0.0002353700000000 ] - [ -0.0012445800000000, -0.0185863500000000, 0.0065844900000000 ] - [ -0.0086545300000000, -0.0125031200000000, -0.0043936500000000 ] - [ 0.0000140200000000, -0.0021200100000000, 0.0000823800000000 ] - [ 0.0000771600000000, -0.0016793700000000, -0.0001535000000000 ] - [ -0.0004837000000000, -0.0019376100000000, -0.0000975700000000 ] - [ -0.0103291500000000, 0.2221960200000000, -0.0290404400000000 ] - [ 0.0004661200000000, -0.0013764500000000, -0.0004510500000000 ] - [ -0.0017704800000000, 0.0454686500000000, -0.0002923000000000 ] - [ -0.0003135400000000, -0.0012673400000000, -0.0000027100000000 ] - [ 0.0005129600000000, -0.0013693200000000, 0.0004616300000000 ] - [ -0.0003685900000000, -0.0012692100000000, 0.0000347100000000 ] - [ 0.0002527200000000, -0.0002798800000000, 0.0005227900000000 ] - [ 0.0002422800000000, -0.0002736400000000, -0.0004868400000000 ] - [ -0.0009659300000000, -0.0010399300000000, 0.0001669900000000 ] - [ 0.0023112800000000, -0.0005516200000000, -0.0011106200000000 ] - [ 0.0014248800000000, -0.0031536700000000, -0.0000952200000000 ] - [ -0.0055913400000000, 0.0103460400000000, 0.0004156900000000 ] - [ -0.0004782500000000, -0.0010122200000000, -0.0000751500000000 ] - [ 0.0001581500000000, -0.0018725800000000, -0.0000575500000000 ] - [ 0.0013641300000000, -0.0038043400000000, 0.0003225100000000 ] - [ -0.0002488700000000, -0.0019325500000000, 0.0000629300000000 ] - [ 0.0004672800000000, -0.0025074700000000, 0.0000541100000000 ] - [ -0.0000437500000000, -0.0022606800000000, 0.0000099500000000 ] - [ -0.0035372700000000, 0.0004214900000000, 0.0002623600000000 ] - [ -0.0002056000000000, -0.0019476000000000, -0.0001630300000000 ] - [ 0.0000139100000000, -0.0019407400000000, 0.0002647500000000 ] - [ -0.0015353900000000, -0.0043466900000000, -0.0000178200000000 ] - [ -0.0001896500000000, -0.0021126700000000, -0.0000172100000000 ] - [ 0.0019123600000000, 0.0073847100000000, -0.0008879300000000 ] - [ 0.0148014900000000, -0.0126035400000000, 0.0055546700000000 ] - [ 0.0041673100000000, 0.0058190300000000, 0.0008665300000000 ] - [ 0.0005063200000000, -0.0022929700000000, -0.0002630000000000 ] - [ 0.0185879900000000, -0.0026460700000000, -0.0034931000000000 ] - [ -0.0008651900000000, -0.0023192100000000, -0.0001254900000000 ] - [ -0.0116470500000000, 0.0009621600000000, 0.0015081800000000 ] - [ -0.0002647800000000, -0.0023185600000000, -0.0001895800000000 ] - [ -0.0017651700000000, 0.0009860200000000, -0.0010324500000000 ] - [ -0.0009103800000000, -0.0028172800000000, -0.0000216100000000 ] - [ 0.0002789100000000, 0.0019333100000000, -0.0002438000000000 ] - [ 0.0009856500000000, -0.0017179900000000, -0.0000091800000000 ] - [ 0.0006930000000000, 0.0045496800000000, 0.0018317900000000 ] - [ 0.0000081100000000, -0.0020796900000000, 0.0001351700000000 ] - [ -0.0020404300000000, -0.0025060700000000, -0.0001542500000000 ] - [ -0.0001849400000000, -0.0022252700000000, 0.0000230500000000 ] - [ -0.0001712200000000, -0.0013848100000000, -0.0000571500000000 ] - [ -0.0001611200000000, 0.0019055000000000, -0.0002114700000000 ] - [ -0.0002510600000000, 0.0018032600000000, 0.0003178000000000 ] - [ 0.0007723300000000, 0.0008339600000000, -0.0001567500000000 ] - [ 0.0027286800000000, 0.0004065600000000, -0.0002117100000000 ] - [ 0.0005237600000000, 0.0013596000000000, 0.0000026800000000 ] - [ 0.0007333000000000, 0.0021491500000000, -0.0000007100000000 ] - [ -0.0001851100000000, 0.0012226400000000, 0.0000451900000000 ] - [ 0.0006356200000000, -0.0024341500000000, 0.0000854900000000 ] - [ 0.0021234600000000, -0.0061328600000000, 0.0016877100000000 ] - [ -0.0291204400000000, -0.0436458500000000, 0.0335946700000000 ] - [ -0.0002188300000000, 0.0025705900000000, -0.0000872500000000 ] - [ 0.0265547400000000, -0.0666118400000000, -0.0450346000000000 ] - [ -0.0006191300000000, 0.0016697500000000, -0.0003117200000000 ] - [ -0.0006563800000000, 0.0017801800000000, -0.0002107500000000 ] - [ -0.0005482200000000, 0.0014984500000000, 0.0000876900000000 ] - [ -0.0000599000000000, 0.0007427600000000, 0.0000316500000000 ] - [ -0.0000295900000000, 0.0019730000000000, 0.0000709900000000 ] - [ -0.0007404900000000, 0.0016431100000000, 0.0002518900000000 ] - [ -0.0006620200000000, 0.0017654300000000, -0.0000166600000000 ] - [ 0.0003978700000000, 0.0015041800000000, 0.0000998800000000 ] - [ -0.0005061500000000, 0.0018385800000000, 0.0002447400000000 ] - [ 0.0008845400000000, 0.0026452600000000, -0.0005237400000000 ] - [ -0.0008970300000000, 0.0038599200000000, -0.0008476900000000 ] - [ 0.0344516700000000, -0.0825919900000000, 0.0562950400000000 ] - [ -0.0034091900000000, -0.0066155400000000, 0.0047905300000000 ] - [ -0.0015996100000000, 0.0022300600000000, 0.0000626200000000 ] - [ 0.0003875200000000, 0.0027331700000000, 0.0004316600000000 ] - [ 0.0008788200000000, 0.0016874400000000, -0.0002305900000000 ] - [ -0.0001079500000000, 0.0016713800000000, -0.0000968500000000 ] - [ 0.0007241600000000, -0.0003775000000000, 0.0003345400000000 ] - [ -0.0001885400000000, -0.0024749300000000, -0.0003851800000000 ] - [ -0.0002077800000000, 0.0016204000000000, 0.0000478800000000 ] - [ -0.0003453500000000, 0.0023065200000000, -0.0000271300000000 ] - [ 0.0027001000000000, 0.0020690200000000, -0.0000290400000000 ] - [ -0.0055480700000000, 0.0013787600000000, 0.0018022600000000 ] - [ -0.0037408400000000, -0.0047142100000000, -0.0038840800000000 ] - [ 0.0004923800000000, 0.0009009600000000, -0.0002387600000000 ] - [ -0.0001020500000000, 0.0021276600000000, 0.0002173400000000 ] - [ 0.0014092200000000, 0.0004583700000000, 0.0003175700000000 ] - [ 0.0002783900000000, 0.0011261500000000, 0.0002988700000000 ] - [ 0.0007200100000000, 0.0005812000000000, 0.0000929500000000 ] - [ -0.0015738300000000, -0.0012207200000000, -0.0004328600000000 ] - [ 0.0000193000000000, 0.0016832700000000, -0.0000362400000000 ] - [ -0.0071055900000000, -0.0027041800000000, -0.0023265300000000 ] - [ -0.0007766100000000, 0.0015109900000000, 0.0000872200000000 ] - [ -0.0022770700000000, 0.0024639000000000, 0.0003732800000000 ] - [ -0.0012160800000000, 0.0001210800000000, 0.0003035600000000 ] - [ 0.0035864000000000, -0.0027781200000000, -0.0019253100000000 ] - [ -0.0005514300000000, 0.0014401100000000, -0.0001036500000000 ] - [ -0.0181526000000000, -0.0364164000000000, -0.0207096400000000 ] - [ 0.0012547800000000, -0.0003020100000000, 0.0001940600000000 ] - [ 0.0014108200000000, -0.0031202500000000, -0.0002195300000000 ] - [ 0.0004914700000000, 0.0019048700000000, 0.0000223900000000 ] - [ -0.0004762800000000, 0.0004390500000000, 0.0000567200000000 ] - [ 0.0005367100000000, 0.0019373400000000, 0.0000009300000000 ] - [ 0.0001617400000000, 0.0011631100000000, -0.0000727900000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0009081700000000, 0.0002677200000000, -0.0000349300000000 ] - [ -0.0000825300000000, -0.0005741100000000, -0.0000154300000000 ] - [ -0.0007103100000000, -0.0001119800000000, 0.0001669100000000 ] - [ 0.0032026200000000, -0.0068793400000000, 0.0002097300000000 ] - [ -0.0010705300000000, 0.0060161800000000, -0.0015971100000000 ] - [ 0.0000855400000000, 0.0000824600000000, -0.0000288100000000 ] - [ -0.0000093600000000, -0.0002128900000000, -0.0001342800000000 ] - [ -0.0002562600000000, -0.0002213600000000, -0.0001490400000000 ] - [ 0.0049547700000000, 0.0311475200000000, -0.4018314500000000 ] - [ 0.0001691900000000, -0.0004139300000000, -0.0003514100000000 ] - [ 0.0006852100000000, -0.0009707900000000, 0.1491509000000000 ] - [ -0.0001892900000000, -0.0000723500000000, 0.0000956500000000 ] - [ 0.0001839800000000, -0.0003979800000000, 0.0003660300000000 ] - [ -0.0002556500000000, -0.0000714600000000, -0.0000737800000000 ] - [ -0.0006685600000000, -0.0003792400000000, -0.0001265100000000 ] - [ -0.0005873600000000, -0.0004492900000000, 0.0001440800000000 ] - [ -0.0001038600000000, 0.0003413500000000, 0.0002058500000000 ] - [ -0.0012528100000000, -0.0003952700000000, 0.0023476700000000 ] - [ -0.0000981400000000, 0.0027804500000000, -0.0002810000000000 ] - [ 0.0159373900000000, -0.0079700000000000, 0.0008719500000000 ] - [ 0.0000432400000000, -0.0024889800000000, 0.0010026300000000 ] - [ 0.0001418400000000, -0.0000791200000000, 0.0000010100000000 ] - [ 0.0001191600000000, -0.0011556200000000, 0.0010709200000000 ] - [ -0.0001254200000000, -0.0002595100000000, 0.0000589300000000 ] - [ 0.0001337200000000, -0.0002974900000000, -0.0000322100000000 ] - [ 0.0000196200000000, -0.0003978000000000, 0.0000455300000000 ] - [ -0.0012151800000000, 0.0010938700000000, -0.0002383100000000 ] - [ -0.0003151500000000, -0.0003604900000000, -0.0002054700000000 ] - [ 0.0001001900000000, -0.0002377600000000, 0.0002300400000000 ] - [ -0.0021401700000000, -0.0025885700000000, -0.0003644400000000 ] - [ 0.0002616900000000, -0.0003113200000000, -0.0001343300000000 ] - [ 0.0020966500000000, 0.0033681000000000, -0.0014052700000000 ] - [ 0.0110608200000000, -0.0075183200000000, 0.0047137200000000 ] - [ 0.0016758500000000, 0.0037866800000000, 0.0011022900000000 ] - [ 0.0004804800000000, 0.0004478200000000, -0.0000318800000000 ] - [ -0.0164584600000000, 0.0026226400000000, 0.0026703600000000 ] - [ 0.0002018300000000, -0.0007159100000000, 0.0001813400000000 ] - [ -0.0153697000000000, -0.0023674200000000, 0.0001190500000000 ] - [ -0.0002290600000000, -0.0004654000000000, -0.0001270500000000 ] - [ -0.0001075100000000, -0.0007339300000000, -0.0014992900000000 ] - [ -0.0010616500000000, -0.0004350000000000, 0.0001283100000000 ] - [ 0.0012488500000000, 0.0020810900000000, 0.0004782300000000 ] - [ -0.0005203600000000, -0.0002440000000000, -0.0001975000000000 ] - [ -0.0006720000000000, -0.0001573700000000, -0.0023194700000000 ] - [ -0.0002486100000000, -0.0001231800000000, -0.0000632900000000 ] - [ 0.0020115400000000, -0.0009050800000000, -0.0002968000000000 ] - [ -0.0002341800000000, -0.0002734500000000, 0.0001485400000000 ] - [ 0.0000512900000000, 0.0001442400000000, -0.0001694500000000 ] - [ -0.0002890800000000, 0.0002952300000000, -0.0001566800000000 ] - [ -0.0002398400000000, 0.0002135400000000, 0.0002714800000000 ] - [ -0.0000085200000000, -0.0001628800000000, -0.0001194700000000 ] - [ 0.0037570200000000, 0.0048296800000000, 0.0031475700000000 ] - [ -0.0001328400000000, 0.0000122400000000, -0.0000976700000000 ] - [ -0.0004562000000000, 0.0003939700000000, -0.0000207400000000 ] - [ -0.0000177600000000, -0.0000088600000000, 0.0000344700000000 ] - [ -0.0003348400000000, -0.0010350600000000, -0.0002063700000000 ] - [ 0.0036372000000000, -0.0034667100000000, 0.0025218000000000 ] - [ -0.0486416300000000, -0.0305207700000000, 0.0687944400000000 ] - [ 0.0001528700000000, 0.0007113800000000, -0.0000378100000000 ] - [ -0.0214836600000000, 0.0364893300000000, 0.0576241900000000 ] - [ 0.0002168400000000, -0.0000347500000000, -0.0001629600000000 ] - [ -0.0000823000000000, -0.0003405200000000, 0.0002130000000000 ] - [ 0.0000904600000000, 0.0001982500000000, -0.0000231300000000 ] - [ 0.0006684600000000, 0.0004077000000000, 0.0000306100000000 ] - [ -0.0000950500000000, 0.0004822100000000, 0.0000897600000000 ] - [ -0.0002910300000000, 0.0002448900000000, 0.0003198500000000 ] - [ -0.0003892500000000, 0.0002225100000000, -0.0000724100000000 ] - [ 0.0000238200000000, 0.0001275700000000, 0.0000895300000000 ] - [ 0.0004454200000000, -0.0005299700000000, 0.0000792100000000 ] - [ -0.0010579000000000, -0.0019119700000000, -0.0005402000000000 ] - [ -0.0012439600000000, 0.0041609300000000, -0.0040205400000000 ] - [ 0.0276295100000000, -0.0509682000000000, 0.0679273200000000 ] - [ 0.0026212100000000, 0.0034300200000000, -0.0045684800000000 ] - [ -0.0009093900000000, 0.0009339900000000, -0.0002337200000000 ] - [ 0.0010924900000000, 0.0007072600000000, 0.0002918600000000 ] - [ -0.0003261700000000, 0.0012410100000000, 0.0000878200000000 ] - [ -0.0003480600000000, 0.0005835200000000, -0.0001771900000000 ] - [ 0.0014551300000000, 0.0007334500000000, 0.0005607500000000 ] - [ 0.0004510300000000, -0.0003115300000000, 0.0010668900000000 ] - [ -0.0001299100000000, 0.0004469100000000, 0.0000631300000000 ] - [ -0.0001487600000000, 0.0003096600000000, -0.0000824900000000 ] - [ 0.0021404300000000, 0.0004574800000000, -0.0001912700000000 ] - [ -0.0037655700000000, 0.0006801400000000, 0.0031047800000000 ] - [ 0.0013127200000000, 0.0040997500000000, 0.0054060400000000 ] - [ 0.0001276600000000, -0.0007681300000000, -0.0001838500000000 ] - [ -0.0001436600000000, 0.0002718600000000, 0.0002246400000000 ] - [ -0.0003571500000000, 0.0012625000000000, 0.0001007800000000 ] - [ -0.0003257700000000, -0.0001198600000000, 0.0003169200000000 ] - [ 0.0009191600000000, 0.0004854500000000, -0.0001507500000000 ] - [ -0.0017894100000000, -0.0008232700000000, -0.0005905300000000 ] - [ -0.0001649900000000, 0.0001699600000000, -0.0000066600000000 ] - [ -0.0046511200000000, -0.0011689600000000, -0.0029879500000000 ] - [ -0.0004245500000000, 0.0003761700000000, 0.0000883300000000 ] - [ 0.0039560400000000, -0.0032865900000000, -0.0037987700000000 ] - [ 0.0013961500000000, 0.0002136000000000, -0.0005833300000000 ] - [ 0.0026592900000000, -0.0006246300000000, -0.0034738000000000 ] - [ -0.0002261400000000, 0.0001745500000000, 0.0000450700000000 ] - [ 0.0372520600000000, 0.0188371700000000, 0.0538238000000000 ] - [ 0.0000735600000000, -0.0008927100000000, 0.0002136600000000 ] - [ -0.0048495300000000, -0.0007277900000000, 0.0021340000000000 ] - [ 0.0000597000000000, 0.0002834000000000, 0.0000406900000000 ] - [ -0.0004483600000000, -0.0003490600000000, 0.0000652400000000 ] - [ 0.0000509300000000, 0.0003503600000000, -0.0000506500000000 ] - [ -0.0002082900000000, 0.0002702100000000, -0.0000413800000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0009107600000000, -0.0003956800000000, 0.0000143700000000 ] - [ 0.0000825500000000, 0.0004447700000000, -0.0000037200000000 ] - [ 0.0008714200000000, 0.0002556600000000, -0.0004152300000000 ] - [ -0.0030491200000000, 0.0067614900000000, -0.0004876700000000 ] - [ 0.0010655500000000, -0.0059297100000000, 0.0015543000000000 ] - [ -0.0000855700000000, 0.0000472900000000, 0.0000096100000000 ] - [ -0.0001492600000000, 0.0003594800000000, -0.0001165500000000 ] - [ 0.0000973000000000, 0.0000757000000000, -0.0001011400000000 ] - [ -0.0041592200000000, -0.0308910700000000, 0.4018927300000000 ] - [ -0.0005905300000000, 0.0003201900000000, 0.0001844300000000 ] - [ -0.0003442800000000, 0.0010982900000000, -0.1493591300000000 ] - [ -0.0001036900000000, 0.0001636200000000, 0.0001110600000000 ] - [ -0.0004773400000000, 0.0003083700000000, -0.0001608700000000 ] - [ -0.0001656400000000, 0.0001663500000000, -0.0000944600000000 ] - [ 0.0009599400000000, 0.0002886400000000, 0.0003343700000000 ] - [ 0.0010075100000000, 0.0003543500000000, -0.0003135400000000 ] - [ 0.0003084800000000, -0.0008913700000000, -0.0002556200000000 ] - [ 0.0011051800000000, 0.0008270500000000, -0.0022546800000000 ] - [ 0.0003119200000000, -0.0027239300000000, 0.0003764800000000 ] - [ -0.0153584100000000, 0.0077508900000000, -0.0010523600000000 ] - [ 0.0005572500000000, 0.0027411000000000, -0.0011986000000000 ] - [ 0.0000638400000000, 0.0006297400000000, -0.0000514600000000 ] - [ -0.0003466500000000, 0.0011848200000000, -0.0011395600000000 ] - [ -0.0000798500000000, 0.0002099900000000, 0.0000449400000000 ] - [ 0.0000102100000000, 0.0007452000000000, 0.0001054400000000 ] - [ 0.0001224800000000, -0.0000488400000000, 0.0000282200000000 ] - [ 0.0017907900000000, -0.0012082300000000, 0.0001238600000000 ] - [ -0.0000754300000000, 0.0001566600000000, -0.0001734600000000 ] - [ -0.0004867900000000, 0.0000267500000000, 0.0000727000000000 ] - [ 0.0017462200000000, 0.0027938300000000, -0.0000196200000000 ] - [ 0.0003135700000000, 0.0004234100000000, 0.0000218900000000 ] - [ -0.0018903600000000, -0.0034343300000000, 0.0015009300000000 ] - [ -0.0108406400000000, 0.0075444300000000, -0.0048617300000000 ] - [ -0.0012894700000000, -0.0039998400000000, -0.0014774200000000 ] - [ -0.0000890700000000, -0.0002422200000000, -0.0003449100000000 ] - [ 0.0168570700000000, -0.0024303400000000, -0.0024222200000000 ] - [ -0.0007762100000000, 0.0006041500000000, -0.0002932000000000 ] - [ 0.0152542200000000, 0.0018976600000000, -0.0000063500000000 ] - [ -0.0003677400000000, 0.0002091900000000, -0.0000765300000000 ] - [ 0.0004963000000000, 0.0005299300000000, 0.0017909200000000 ] - [ 0.0008562000000000, 0.0004859000000000, -0.0000228800000000 ] - [ -0.0018314000000000, -0.0019626200000000, -0.0005828000000000 ] - [ 0.0007562800000000, 0.0002635000000000, 0.0001165400000000 ] - [ 0.0004608300000000, 0.0007071000000000, 0.0022588900000000 ] - [ 0.0000098600000000, 0.0001055600000000, -0.0000166700000000 ] - [ -0.0022172700000000, 0.0003555200000000, 0.0002451500000000 ] - [ -0.0001516000000000, 0.0004859500000000, 0.0001543500000000 ] - [ -0.0006492000000000, 0.0001128500000000, -0.0000345900000000 ] - [ -0.0002098900000000, -0.0000657300000000, -0.0000922800000000 ] - [ -0.0000464900000000, -0.0000126200000000, 0.0002065400000000 ] - [ -0.0005937000000000, 0.0003040400000000, -0.0000463100000000 ] - [ -0.0034489500000000, -0.0045989500000000, -0.0026672300000000 ] - [ 0.0006428700000000, -0.0001164800000000, -0.0000016700000000 ] - [ 0.0003416600000000, -0.0002248600000000, -0.0000298200000000 ] - [ -0.0000572800000000, -0.0002409700000000, 0.0000388500000000 ] - [ 0.0002259700000000, 0.0008677700000000, 0.0001573200000000 ] - [ -0.0032043300000000, 0.0034139000000000, -0.0025117200000000 ] - [ 0.0462605000000000, 0.0286599600000000, -0.0665210600000000 ] - [ -0.0005663400000000, -0.0006573400000000, 0.0000365300000000 ] - [ 0.0229482100000000, -0.0385580800000000, -0.0592297900000000 ] - [ -0.0001008500000000, -0.0000389700000000, -0.0000376900000000 ] - [ 0.0004977200000000, 0.0003923200000000, -0.0002144700000000 ] - [ -0.0002051300000000, -0.0001257200000000, -0.0001774600000000 ] - [ -0.0006223100000000, -0.0006627600000000, 0.0000405600000000 ] - [ -0.0001064000000000, 0.0002361200000000, 0.0000767400000000 ] - [ -0.0000795300000000, -0.0003219700000000, 0.0003135200000000 ] - [ -0.0002130100000000, -0.0003639500000000, -0.0000935500000000 ] - [ -0.0002154700000000, -0.0001811300000000, 0.0000791800000000 ] - [ 0.0001248500000000, 0.0005063500000000, 0.0000460400000000 ] - [ 0.0018032500000000, 0.0011850600000000, 0.0001665500000000 ] - [ 0.0011237600000000, -0.0041943300000000, 0.0038144600000000 ] - [ -0.0289087800000000, 0.0536888000000000, -0.0696680700000000 ] - [ -0.0022332300000000, -0.0035323400000000, 0.0052296500000000 ] - [ 0.0008617900000000, -0.0011941000000000, 0.0003015300000000 ] - [ -0.0016655500000000, -0.0007262800000000, -0.0001662300000000 ] - [ 0.0009270100000000, -0.0010988300000000, -0.0002535100000000 ] - [ -0.0003996800000000, 0.0001438500000000, -0.0001972600000000 ] - [ -0.0012636100000000, -0.0006816100000000, -0.0003899700000000 ] - [ 0.0002947900000000, 0.0010434200000000, -0.0014373500000000 ] - [ 0.0000536600000000, -0.0001983500000000, 0.0000103400000000 ] - [ -0.0003505600000000, -0.0005406500000000, -0.0001668800000000 ] - [ -0.0026536900000000, -0.0005623200000000, 0.0000931700000000 ] - [ 0.0039072100000000, -0.0006234700000000, -0.0033270800000000 ] - [ -0.0010682000000000, -0.0042888000000000, -0.0049424700000000 ] - [ -0.0008748200000000, 0.0000389200000000, -0.0001905400000000 ] - [ -0.0001435100000000, -0.0004737200000000, 0.0002534100000000 ] - [ 0.0007261000000000, -0.0011883500000000, 0.0005328300000000 ] - [ -0.0000444800000000, 0.0001963400000000, 0.0003162100000000 ] - [ -0.0007156300000000, -0.0012019400000000, 0.0003156500000000 ] - [ 0.0023048500000000, 0.0009247500000000, 0.0004889300000000 ] - [ -0.0002505300000000, -0.0002222800000000, 0.0000052600000000 ] - [ 0.0052189800000000, 0.0011842000000000, 0.0031178200000000 ] - [ 0.0002339300000000, -0.0003237600000000, 0.0000804900000000 ] - [ -0.0034225900000000, 0.0030115500000000, 0.0035449600000000 ] - [ -0.0013170400000000, 0.0000403300000000, 0.0006522100000000 ] - [ -0.0022009700000000, 0.0008655700000000, 0.0032506000000000 ] - [ -0.0003444500000000, -0.0001569100000000, 0.0000806200000000 ] - [ -0.0349579900000000, -0.0171553000000000, -0.0520008600000000 ] - [ 0.0000423200000000, 0.0010606900000000, -0.0002640400000000 ] - [ 0.0054234600000000, 0.0005787700000000, -0.0023014200000000 ] - [ -0.0001048300000000, -0.0000293700000000, 0.0000305500000000 ] - [ 0.0002470500000000, -0.0003706700000000, 0.0001011500000000 ] - [ 0.0000633100000000, -0.0005204300000000, 0.0000004700000000 ] - [ -0.0003029200000000, -0.0001665400000000, -0.0000576500000000 ]- atom: 11 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0019985700000000, -0.0006965800000000, 0.0000296700000000 ] - [ 0.0002582800000000, 0.0002183200000000, 0.0000017000000000 ] - [ 0.0054248800000000, 0.0001545200000000, -0.0000564800000000 ] - [ -0.0080641900000000, 0.0005483400000000, -0.0001680400000000 ] - [ -0.0038727500000000, 0.0075446300000000, -0.0026137300000000 ] - [ -0.0003017700000000, -0.0004339100000000, 0.0000193100000000 ] - [ 0.0000203600000000, -0.0001899700000000, -0.0001366700000000 ] - [ -0.0002717300000000, 0.0000861100000000, -0.0001416700000000 ] - [ -0.0485203700000000, 0.0019668200000000, 0.0004360800000000 ] - [ 0.0002591800000000, -0.0007068200000000, -0.0004139100000000 ] - [ -0.1951020200000000, 0.0149418800000000, -0.0037658200000000 ] - [ -0.0002252900000000, -0.0001241300000000, 0.0000592200000000 ] - [ 0.0002940700000000, -0.0007166100000000, 0.0004335400000000 ] - [ -0.0002848300000000, -0.0001197400000000, -0.0000404600000000 ] - [ 0.0023410300000000, 0.0000606400000000, 0.0009146400000000 ] - [ 0.0024027500000000, 0.0000568300000000, -0.0008955600000000 ] - [ 0.0000920600000000, 0.0008075900000000, 0.0001232400000000 ] - [ 0.0028332600000000, -0.0055002800000000, 0.0001200300000000 ] - [ -0.0018217800000000, -0.0044560800000000, 0.0004432800000000 ] - [ 0.0251689500000000, -0.0022900100000000, -0.0082584200000000 ] - [ 0.0009528700000000, 0.0042996200000000, -0.0007760900000000 ] - [ 0.0001371700000000, 0.0001994300000000, -0.0000591600000000 ] - [ -0.0004079500000000, -0.0034402500000000, 0.0006434700000000 ] - [ 0.0000907700000000, -0.0002264900000000, 0.0000733100000000 ] - [ -0.0001417500000000, -0.0002797700000000, 0.0000315500000000 ] - [ 0.0001424000000000, -0.0003283700000000, 0.0000518400000000 ] - [ -0.0002349900000000, 0.0022072000000000, 0.0000256200000000 ] - [ 0.0001738600000000, -0.0002929200000000, -0.0001434400000000 ] - [ 0.0004138000000000, -0.0001481600000000, 0.0002594700000000 ] - [ -0.0049654100000000, -0.0020048800000000, -0.0005758100000000 ] - [ 0.0004216100000000, 0.0001297100000000, -0.0000248200000000 ] - [ 0.0092066300000000, -0.0020505100000000, -0.0002736900000000 ] - [ 0.0098474300000000, -0.0115826400000000, -0.0036043800000000 ] - [ 0.0059818200000000, -0.0036307200000000, 0.0009163600000000 ] - [ -0.0004744900000000, -0.0017018800000000, -0.0001243300000000 ] - [ 0.0136830300000000, -0.0126460600000000, 0.0055335900000000 ] - [ -0.0014552900000000, 0.0005110100000000, -0.0002816100000000 ] - [ 0.0211625700000000, 0.0073648900000000, 0.0071212500000000 ] - [ -0.0005276900000000, -0.0003844200000000, -0.0001327800000000 ] - [ 0.0030617900000000, 0.0052099700000000, 0.0000508600000000 ] - [ -0.0017033000000000, -0.0004398200000000, 0.0000114800000000 ] - [ 0.0047996300000000, 0.0034082300000000, 0.0001001500000000 ] - [ 0.0012050700000000, -0.0004070200000000, 0.0000888300000000 ] - [ 0.0092525700000000, 0.0043185300000000, 0.0002810800000000 ] - [ 0.0001306800000000, -0.0005870200000000, 0.0000744800000000 ] - [ -0.0035084600000000, 0.0009333600000000, -0.0000667800000000 ] - [ -0.0004213300000000, -0.0002018500000000, 0.0001283900000000 ] - [ 0.0007959000000000, 0.0003035900000000, -0.0000670100000000 ] - [ -0.0004114200000000, 0.0002354700000000, -0.0001996100000000 ] - [ -0.0004358200000000, 0.0001139800000000, 0.0002745900000000 ] - [ -0.0004963600000000, -0.0007466900000000, -0.0000785300000000 ] - [ -0.0027552200000000, -0.0055383300000000, -0.0011088300000000 ] - [ 0.0014055300000000, 0.0003597900000000, -0.0000482300000000 ] - [ 0.0006815600000000, -0.0002089700000000, -0.0000717700000000 ] - [ -0.0000861900000000, -0.0000285000000000, 0.0000342900000000 ] - [ -0.0025385000000000, -0.0024621600000000, 0.0001110200000000 ] - [ -0.0054011900000000, 0.0017558300000000, -0.0014372500000000 ] - [ 0.0664468500000000, 0.0244130300000000, 0.0455360300000000 ] - [ 0.0007500000000000, 0.0006288800000000, -0.0000523600000000 ] - [ 0.0397266300000000, -0.0230718500000000, 0.0213437300000000 ] - [ -0.0003658600000000, 0.0006936000000000, -0.0001083100000000 ] - [ 0.0012417500000000, 0.0027574800000000, -0.0002806400000000 ] - [ -0.0004643600000000, 0.0003372600000000, -0.0001309300000000 ] - [ -0.0011995300000000, -0.0004166900000000, -0.0000036000000000 ] - [ 0.0000515100000000, 0.0006189100000000, 0.0000814400000000 ] - [ -0.0001389100000000, 0.0000890200000000, 0.0003146300000000 ] - [ -0.0002981500000000, -0.0000028200000000, -0.0000781000000000 ] - [ 0.0001275900000000, 0.0001142000000000, 0.0000907700000000 ] - [ 0.0001456800000000, 0.0014650300000000, 0.0001323800000000 ] - [ 0.0033854800000000, 0.0013904900000000, 0.0001194000000000 ] - [ 0.0008850100000000, 0.0044096700000000, -0.0018625600000000 ] - [ 0.0378578000000000, -0.0248788500000000, -0.0230531700000000 ] - [ -0.0075271000000000, -0.0002279000000000, -0.0012020300000000 ] - [ -0.0008396100000000, 0.0013860900000000, -0.0001149500000000 ] - [ 0.0021555300000000, 0.0011247200000000, 0.0002956800000000 ] - [ 0.0014407600000000, -0.0014012000000000, -0.0002394500000000 ] - [ -0.0004852900000000, 0.0004375500000000, -0.0001728500000000 ] - [ -0.0032698200000000, -0.0016702700000000, 0.0002667200000000 ] - [ -0.0083893100000000, 0.0007270500000000, -0.0002870000000000 ] - [ 0.0000355500000000, 0.0006019500000000, 0.0000488000000000 ] - [ 0.0000255300000000, 0.0002711200000000, -0.0000234500000000 ] - [ 0.0026655700000000, -0.0013360300000000, -0.0003607000000000 ] - [ -0.0016628000000000, 0.0018952600000000, -0.0002000900000000 ] - [ -0.0037916900000000, 0.0050871300000000, 0.0013323100000000 ] - [ 0.0003773300000000, -0.0011923400000000, -0.0001938500000000 ] - [ -0.0000246000000000, 0.0002212600000000, 0.0002020700000000 ] - [ 0.0009345200000000, -0.0027778100000000, 0.0004772300000000 ] - [ -0.0006362100000000, -0.0003793000000000, 0.0003594800000000 ] - [ -0.0019171400000000, -0.0014459300000000, 0.0002789300000000 ] - [ -0.0051695000000000, 0.0006385300000000, -0.0001819300000000 ] - [ -0.0003168400000000, 0.0001194900000000, 0.0000085900000000 ] - [ -0.0043854400000000, 0.0019355100000000, 0.0001680400000000 ] - [ -0.0006296800000000, 0.0005086800000000, 0.0000911800000000 ] - [ -0.0006186600000000, 0.0048142000000000, 0.0008616800000000 ] - [ -0.0034932500000000, 0.0017142800000000, -0.0001096400000000 ] - [ -0.0064112500000000, -0.0018570600000000, 0.0013223100000000 ] - [ -0.0005555800000000, 0.0002194700000000, 0.0000446000000000 ] - [ 0.0617590000000000, 0.0133889300000000, -0.0384219500000000 ] - [ -0.0005195400000000, -0.0014727000000000, -0.0000209300000000 ] - [ -0.0061010500000000, -0.0033611400000000, 0.0008762300000000 ] - [ 0.0000600600000000, 0.0004506600000000, 0.0000127500000000 ] - [ -0.0008148600000000, 0.0000659600000000, 0.0000489300000000 ] - [ 0.0001796100000000, -0.0002263400000000, 0.0000176000000000 ] - [ -0.0004357600000000, 0.0000281200000000, -0.0000604700000000 ]- atom: 11 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0019996600000000, 0.0005809300000000, -0.0000460900000000 ] - [ -0.0002568200000000, -0.0003481900000000, -0.0000214400000000 ] - [ -0.0052665400000000, -0.0000155000000000, -0.0002079200000000 ] - [ 0.0082178600000000, -0.0006269600000000, -0.0000735600000000 ] - [ 0.0038396700000000, -0.0074560000000000, 0.0025948200000000 ] - [ 0.0003006900000000, 0.0005653600000000, -0.0000390400000000 ] - [ -0.0001787500000000, 0.0003378100000000, -0.0001153600000000 ] - [ 0.0001115400000000, -0.0002325400000000, -0.0001093800000000 ] - [ 0.0489508600000000, -0.0018572000000000, -0.0005939900000000 ] - [ -0.0006794500000000, 0.0006126400000000, 0.0002470600000000 ] - [ 0.1947528600000000, -0.0143068700000000, 0.0077385700000000 ] - [ -0.0000692700000000, 0.0002169000000000, 0.0001461900000000 ] - [ -0.0005863400000000, 0.0006255500000000, -0.0002283300000000 ] - [ -0.0001378000000000, 0.0002155400000000, -0.0001264100000000 ] - [ -0.0020479100000000, -0.0001608800000000, -0.0007135800000000 ] - [ -0.0019802000000000, -0.0001584600000000, 0.0007324200000000 ] - [ 0.0001163000000000, -0.0013576900000000, -0.0001733300000000 ] - [ -0.0029874500000000, 0.0059312900000000, -0.0000506200000000 ] - [ 0.0020175000000000, 0.0045144500000000, -0.0003313400000000 ] - [ -0.0245016300000000, 0.0020914300000000, 0.0078224200000000 ] - [ -0.0003510800000000, -0.0040420400000000, 0.0005599600000000 ] - [ 0.0000772600000000, 0.0003545000000000, 0.0000095300000000 ] - [ 0.0001872400000000, 0.0034614800000000, -0.0007210500000000 ] - [ -0.0003016700000000, 0.0001763500000000, 0.0000309700000000 ] - [ 0.0002881300000000, 0.0007275800000000, 0.0000425400000000 ] - [ 0.0000006600000000, -0.0001179700000000, 0.0000221700000000 ] - [ 0.0008006500000000, -0.0023097300000000, -0.0001318400000000 ] - [ -0.0005663100000000, 0.0000874800000000, -0.0002349100000000 ] - [ -0.0008035700000000, -0.0000631000000000, 0.0000426200000000 ] - [ 0.0045671100000000, 0.0021972200000000, 0.0002015800000000 ] - [ 0.0001599500000000, -0.0000161200000000, -0.0000866700000000 ] - [ -0.0090303200000000, 0.0020064100000000, 0.0004098300000000 ] - [ -0.0095485200000000, 0.0116840000000000, 0.0035946800000000 ] - [ -0.0055998500000000, 0.0034503200000000, -0.0013304300000000 ] - [ 0.0008646400000000, 0.0019105300000000, -0.0002553400000000 ] - [ -0.0132851900000000, 0.0126693200000000, -0.0050944900000000 ] - [ 0.0008764000000000, -0.0006198800000000, 0.0001694700000000 ] - [ -0.0212864200000000, -0.0079092700000000, -0.0072225900000000 ] - [ -0.0000696000000000, 0.0001292400000000, -0.0000703100000000 ] - [ -0.0026612100000000, -0.0054752800000000, 0.0002905700000000 ] - [ 0.0014891700000000, 0.0004867300000000, 0.0000916200000000 ] - [ -0.0053887500000000, -0.0032943900000000, -0.0002237500000000 ] - [ -0.0009729000000000, 0.0004230000000000, -0.0001690400000000 ] - [ -0.0094435600000000, -0.0037139500000000, -0.0002895900000000 ] - [ -0.0003682600000000, 0.0005697600000000, -0.0001553200000000 ] - [ 0.0033071300000000, -0.0014855600000000, 0.0000212100000000 ] - [ 0.0000318300000000, 0.0004148700000000, 0.0001734800000000 ] - [ -0.0013948000000000, -0.0000452600000000, -0.0001362700000000 ] - [ -0.0000896500000000, -0.0000059300000000, -0.0000502700000000 ] - [ 0.0001484300000000, 0.0000856600000000, 0.0002044300000000 ] - [ -0.0001012300000000, 0.0008844100000000, -0.0000857500000000 ] - [ 0.0029972600000000, 0.0057049200000000, 0.0015809000000000 ] - [ -0.0008943700000000, -0.0004603900000000, -0.0000512800000000 ] - [ -0.0007991400000000, 0.0003763300000000, 0.0000214800000000 ] - [ 0.0000180500000000, -0.0002226200000000, 0.0000383600000000 ] - [ 0.0024250800000000, 0.0022749100000000, -0.0001600400000000 ] - [ 0.0058023000000000, -0.0017994500000000, 0.0014388600000000 ] - [ -0.0677158600000000, -0.0259869300000000, -0.0476780000000000 ] - [ -0.0011665600000000, -0.0005740800000000, 0.0000523500000000 ] - [ -0.0396165500000000, 0.0224891300000000, -0.0207193300000000 ] - [ 0.0004849800000000, -0.0007662600000000, -0.0000937700000000 ] - [ -0.0008167700000000, -0.0027050400000000, 0.0002826600000000 ] - [ 0.0003484800000000, -0.0002649500000000, -0.0000697900000000 ] - [ 0.0012397200000000, 0.0001667000000000, 0.0000744000000000 ] - [ -0.0002589800000000, 0.0000946100000000, 0.0000840600000000 ] - [ -0.0002322200000000, -0.0001671100000000, 0.0003180200000000 ] - [ -0.0003025400000000, -0.0001398400000000, -0.0000866500000000 ] - [ -0.0003270600000000, -0.0001692100000000, 0.0000781200000000 ] - [ 0.0004301800000000, -0.0014837900000000, -0.0000061300000000 ] - [ -0.0026369000000000, -0.0021283400000000, -0.0004921100000000 ] - [ -0.0010219500000000, -0.0044729600000000, 0.0016475600000000 ] - [ -0.0376265500000000, 0.0255373000000000, 0.0235114700000000 ] - [ 0.0078722600000000, 0.0001675400000000, 0.0018351000000000 ] - [ 0.0007990800000000, -0.0016440300000000, 0.0001846200000000 ] - [ -0.0027299200000000, -0.0011377100000000, -0.0001701500000000 ] - [ -0.0008447100000000, 0.0015399400000000, 0.0000753900000000 ] - [ -0.0002646200000000, 0.0002898100000000, -0.0002006600000000 ] - [ 0.0034706800000000, 0.0017439700000000, -0.0001097800000000 ] - [ 0.0091379300000000, -0.0000089000000000, -0.0000955900000000 ] - [ -0.0001071700000000, -0.0003524600000000, 0.0000239900000000 ] - [ -0.0005265600000000, -0.0005008000000000, -0.0002266000000000 ] - [ -0.0031624700000000, 0.0012389900000000, 0.0002604600000000 ] - [ 0.0017360900000000, -0.0018327200000000, 0.0000149000000000 ] - [ 0.0041168400000000, -0.0052731300000000, -0.0008305900000000 ] - [ -0.0011218600000000, 0.0004648100000000, -0.0001794900000000 ] - [ -0.0002639800000000, -0.0004232900000000, 0.0002766800000000 ] - [ -0.0005746400000000, 0.0028679300000000, 0.0001559100000000 ] - [ 0.0002660700000000, 0.0004561000000000, 0.0002724400000000 ] - [ 0.0021171500000000, 0.0007306000000000, -0.0001103800000000 ] - [ 0.0056879100000000, -0.0005439100000000, 0.0000891200000000 ] - [ -0.0001010000000000, -0.0001743900000000, -0.0000082400000000 ] - [ 0.0049694000000000, -0.0019474200000000, -0.0000506200000000 ] - [ 0.0004298200000000, -0.0004546600000000, 0.0000776200000000 ] - [ 0.0011461200000000, -0.0050361400000000, -0.0011305400000000 ] - [ 0.0035674100000000, -0.0014562500000000, 0.0001822800000000 ] - [ 0.0069495000000000, 0.0021259200000000, -0.0015564300000000 ] - [ -0.0000167500000000, -0.0002007900000000, 0.0000814000000000 ] - [ -0.0598030800000000, -0.0117365600000000, 0.0363180400000000 ] - [ 0.0006429400000000, 0.0016369600000000, -0.0000292000000000 ] - [ 0.0067571500000000, 0.0032208500000000, -0.0010463800000000 ] - [ -0.0000960100000000, -0.0001951400000000, 0.0000579800000000 ] - [ 0.0006063400000000, -0.0007857200000000, 0.0001161300000000 ] - [ -0.0000654800000000, 0.0000560300000000, -0.0000675300000000 ] - [ -0.0000761600000000, 0.0000696900000000, -0.0000391800000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0011137000000000, -0.0005207000000000, -0.0000940900000000 ] - [ 0.0001905300000000, 0.0014329300000000, 0.0000530600000000 ] - [ -0.0001675800000000, -0.0023543000000000, 0.0000524300000000 ] - [ 0.0010756300000000, 0.0150414500000000, 0.0052222100000000 ] - [ 0.0070371200000000, 0.0094655500000000, -0.0040481800000000 ] - [ -0.0000170900000000, 0.0022322400000000, -0.0001065300000000 ] - [ -0.0002453500000000, 0.0018160400000000, -0.0000974300000000 ] - [ 0.0003581600000000, 0.0018250300000000, -0.0001405500000000 ] - [ 0.0014592700000000, -0.0453676200000000, -0.0012039800000000 ] - [ -0.0009359300000000, 0.0012765300000000, 0.0002699700000000 ] - [ 0.0150173000000000, -0.2005668500000000, -0.0249231800000000 ] - [ 0.0000241700000000, 0.0013541500000000, 0.0002075100000000 ] - [ -0.0008186800000000, 0.0012220900000000, -0.0002292000000000 ] - [ -0.0000485900000000, 0.0013601900000000, -0.0002009100000000 ] - [ 0.0000355300000000, 0.0002405400000000, -0.0002520800000000 ] - [ 0.0001880300000000, 0.0001916000000000, 0.0002517100000000 ] - [ 0.0012138000000000, 0.0004385200000000, -0.0002567900000000 ] - [ -0.0024211500000000, 0.0001915400000000, 0.0025564900000000 ] - [ -0.0008511600000000, 0.0034716500000000, -0.0003579900000000 ] - [ 0.0057608800000000, -0.0096383500000000, 0.0013782700000000 ] - [ 0.0012784900000000, 0.0009913100000000, 0.0004067800000000 ] - [ 0.0000444900000000, 0.0024226600000000, 0.0000078200000000 ] - [ -0.0022281100000000, 0.0031064200000000, -0.0019141100000000 ] - [ 0.0000372900000000, 0.0018678800000000, 0.0000410500000000 ] - [ -0.0003997800000000, 0.0030243800000000, 0.0001012400000000 ] - [ 0.0001979200000000, 0.0017941300000000, 0.0000623100000000 ] - [ 0.0044275900000000, -0.0004990100000000, -0.0002217000000000 ] - [ -0.0001857500000000, 0.0017377600000000, -0.0002208000000000 ] - [ -0.0003984500000000, 0.0017104400000000, 0.0000338600000000 ] - [ 0.0015059500000000, 0.0048137600000000, 0.0004770200000000 ] - [ 0.0007765900000000, 0.0022362300000000, -0.0001026600000000 ] - [ -0.0016091500000000, -0.0077424200000000, 0.0012967800000000 ] - [ -0.0162921300000000, 0.0129025000000000, 0.0035933000000000 ] - [ -0.0033751000000000, -0.0059077100000000, -0.0019029000000000 ] - [ -0.0000942200000000, 0.0024108300000000, 0.0000103300000000 ] - [ -0.0200663700000000, 0.0034831800000000, -0.0027928600000000 ] - [ 0.0002386200000000, 0.0022037500000000, 0.0000358400000000 ] - [ 0.0111109900000000, -0.0012265600000000, 0.0019272800000000 ] - [ -0.0003350300000000, 0.0020717300000000, -0.0000071200000000 ] - [ 0.0024031800000000, -0.0007123500000000, 0.0004872000000000 ] - [ 0.0007005800000000, 0.0028233900000000, -0.0000725300000000 ] - [ -0.0004602800000000, -0.0019415600000000, -0.0000487100000000 ] - [ -0.0007593300000000, 0.0017539300000000, -0.0001090700000000 ] - [ -0.0004501800000000, -0.0041743300000000, -0.0015292600000000 ] - [ -0.0002377400000000, 0.0020532200000000, -0.0001961500000000 ] - [ 0.0015354900000000, 0.0020739200000000, -0.0000790900000000 ] - [ -0.0001992200000000, 0.0024445800000000, 0.0002544900000000 ] - [ -0.0003714900000000, 0.0016166900000000, -0.0001263800000000 ] - [ -0.0003397100000000, -0.0016574300000000, -0.0000405100000000 ] - [ -0.0000499400000000, -0.0015829200000000, 0.0001583900000000 ] - [ -0.0014443300000000, -0.0006953500000000, 0.0000140800000000 ] - [ -0.0013953000000000, 0.0002884900000000, 0.0004043600000000 ] - [ 0.0000108800000000, -0.0014154800000000, -0.0001190100000000 ] - [ -0.0007998800000000, -0.0020241300000000, -0.0000627900000000 ] - [ 0.0001023300000000, -0.0014704500000000, 0.0000287900000000 ] - [ -0.0011615700000000, 0.0022654100000000, -0.0001434900000000 ] - [ -0.0031780200000000, 0.0064766200000000, -0.0017899000000000 ] - [ 0.0269706000000000, 0.0408960800000000, 0.0297794700000000 ] - [ -0.0002645900000000, -0.0027471800000000, 0.0001084600000000 ] - [ -0.0229114100000000, 0.0655867900000000, -0.0414992400000000 ] - [ 0.0007109000000000, -0.0016981200000000, 0.0001076400000000 ] - [ 0.0010498900000000, -0.0014826300000000, 0.0000882700000000 ] - [ 0.0004352100000000, -0.0014301000000000, -0.0002908400000000 ] - [ 0.0001005600000000, -0.0010258600000000, 0.0000307400000000 ] - [ -0.0001754100000000, -0.0012542900000000, 0.0000947700000000 ] - [ 0.0003705400000000, -0.0017196200000000, 0.0003822000000000 ] - [ 0.0000644900000000, -0.0019186600000000, -0.0001490200000000 ] - [ -0.0005963500000000, -0.0015564300000000, 0.0000745700000000 ] - [ 0.0010415300000000, -0.0019656300000000, -0.0001306200000000 ] - [ -0.0001247100000000, -0.0033247100000000, 0.0002123200000000 ] - [ 0.0016469800000000, -0.0052781500000000, 0.0005632400000000 ] - [ -0.0276975000000000, 0.0731560200000000, 0.0489947100000000 ] - [ 0.0035740700000000, 0.0060933000000000, -0.0032969400000000 ] - [ 0.0017643800000000, -0.0023476600000000, 0.0003355600000000 ] - [ -0.0009113200000000, -0.0024988500000000, -0.0002380000000000 ] - [ -0.0002374700000000, -0.0015310500000000, 0.0000544800000000 ] - [ -0.0006363600000000, -0.0009369600000000, -0.0002772000000000 ] - [ -0.0005252600000000, 0.0003532000000000, -0.0000386400000000 ] - [ 0.0005185700000000, 0.0033129700000000, -0.0001503400000000 ] - [ 0.0001905000000000, -0.0013728300000000, 0.0000188100000000 ] - [ -0.0001454300000000, -0.0024955300000000, -0.0002175100000000 ] - [ -0.0034158500000000, -0.0024903000000000, -0.0004226000000000 ] - [ 0.0046445400000000, -0.0010410700000000, -0.0017574200000000 ] - [ 0.0034529300000000, 0.0048154500000000, 0.0046811700000000 ] - [ -0.0012647800000000, -0.0015692900000000, -0.0001497000000000 ] - [ -0.0001724900000000, -0.0023596100000000, 0.0002567900000000 ] - [ -0.0011915900000000, -0.0007871100000000, 0.0003654800000000 ] - [ -0.0006584700000000, -0.0010279900000000, 0.0003382100000000 ] - [ -0.0004803900000000, -0.0011845000000000, -0.0000305800000000 ] - [ 0.0014869900000000, 0.0015275600000000, 0.0004035200000000 ] - [ -0.0004362300000000, -0.0017282600000000, 0.0000357800000000 ] - [ 0.0066383900000000, 0.0030815100000000, 0.0019743400000000 ] - [ 0.0005761100000000, -0.0014365700000000, 0.0000768600000000 ] - [ 0.0039931300000000, -0.0033758200000000, -0.0009768500000000 ] - [ 0.0012753900000000, 0.0002277400000000, -0.0005431800000000 ] - [ -0.0033849100000000, 0.0037326100000000, 0.0014023500000000 ] - [ -0.0000257900000000, -0.0014120100000000, 0.0002284600000000 ] - [ 0.0137406000000000, 0.0343912000000000, -0.0162040500000000 ] - [ -0.0012390400000000, 0.0005672100000000, -0.0003145300000000 ] - [ -0.0006841400000000, 0.0024999000000000, 0.0000534200000000 ] - [ -0.0005344100000000, -0.0016435000000000, 0.0000439100000000 ] - [ 0.0002749200000000, -0.0010729300000000, 0.0001126500000000 ] - [ -0.0004166300000000, -0.0021025700000000, -0.0000482500000000 ] - [ -0.0006712400000000, -0.0010614900000000, -0.0000252800000000 ]- atom: 11 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0011133000000000, 0.0003806200000000, 0.0000746200000000 ] - [ -0.0001920900000000, -0.0015611200000000, -0.0000732400000000 ] - [ 0.0003203000000000, 0.0025077900000000, -0.0003036000000000 ] - [ -0.0009147200000000, -0.0154069000000000, -0.0056106600000000 ] - [ -0.0069591900000000, -0.0092371400000000, 0.0039285900000000 ] - [ 0.0000177500000000, -0.0021022800000000, 0.0000863300000000 ] - [ 0.0000857000000000, -0.0016690000000000, -0.0001534900000000 ] - [ -0.0005144200000000, -0.0019687000000000, -0.0001095400000000 ] - [ -0.0010478400000000, 0.0454937300000000, 0.0008628700000000 ] - [ 0.0005123200000000, -0.0013710100000000, -0.0004381700000000 ] - [ -0.0142878500000000, 0.2008557300000000, 0.0214277800000000 ] - [ -0.0003164400000000, -0.0012624600000000, -0.0000012600000000 ] - [ 0.0005239900000000, -0.0013145200000000, 0.0004361600000000 ] - [ -0.0003719000000000, -0.0012651000000000, 0.0000331600000000 ] - [ 0.0002565200000000, -0.0003274100000000, 0.0004570200000000 ] - [ 0.0002320500000000, -0.0002815000000000, -0.0004178600000000 ] - [ -0.0010012400000000, -0.0009941300000000, 0.0002050900000000 ] - [ 0.0022842200000000, 0.0002804600000000, -0.0024973700000000 ] - [ 0.0010676700000000, -0.0034154000000000, 0.0004705400000000 ] - [ -0.0051897600000000, 0.0093802100000000, -0.0015882200000000 ] - [ -0.0006902200000000, -0.0007267300000000, -0.0006183100000000 ] - [ 0.0001609800000000, -0.0018712700000000, -0.0000579100000000 ] - [ 0.0019622300000000, -0.0030998000000000, 0.0018009400000000 ] - [ -0.0002446900000000, -0.0019174200000000, 0.0000628700000000 ] - [ 0.0005386700000000, -0.0025719400000000, -0.0000254000000000 ] - [ -0.0000537500000000, -0.0022415100000000, 0.0000115800000000 ] - [ -0.0038208500000000, 0.0003753000000000, 0.0001105800000000 ] - [ -0.0002065200000000, -0.0019414000000000, -0.0001578400000000 ] - [ 0.0000116900000000, -0.0019215400000000, 0.0002688200000000 ] - [ -0.0018925200000000, -0.0045918000000000, -0.0008404500000000 ] - [ -0.0002020800000000, -0.0021245500000000, -0.0000093400000000 ] - [ 0.0018252600000000, 0.0076895300000000, -0.0011862300000000 ] - [ 0.0164610500000000, -0.0129430000000000, -0.0035423400000000 ] - [ 0.0037694700000000, 0.0056990900000000, 0.0015146400000000 ] - [ 0.0004892900000000, -0.0022020000000000, -0.0003910800000000 ] - [ 0.0204709900000000, -0.0032405300000000, 0.0031668800000000 ] - [ -0.0008136400000000, -0.0023165700000000, -0.0001481700000000 ] - [ -0.0112882900000000, 0.0008140500000000, -0.0018876900000000 ] - [ -0.0002625200000000, -0.0023269500000000, -0.0001963000000000 ] - [ -0.0020247800000000, 0.0005164500000000, -0.0001816100000000 ] - [ -0.0009048500000000, -0.0027682300000000, 0.0001732000000000 ] - [ -0.0001127000000000, 0.0020266000000000, -0.0000700200000000 ] - [ 0.0009991600000000, -0.0017328800000000, 0.0000299900000000 ] - [ 0.0002324800000000, 0.0047109000000000, 0.0014908000000000 ] - [ 0.0000011800000000, -0.0020688100000000, 0.0001158200000000 ] - [ -0.0017478600000000, -0.0026272700000000, 0.0000298200000000 ] - [ -0.0001872000000000, -0.0022303100000000, 0.0000482200000000 ] - [ -0.0002241500000000, -0.0013606400000000, -0.0000770800000000 ] - [ -0.0001599500000000, 0.0018876500000000, -0.0002087900000000 ] - [ -0.0002375500000000, 0.0017849700000000, 0.0003196500000000 ] - [ 0.0008359800000000, 0.0008387300000000, -0.0001790500000000 ] - [ 0.0016820400000000, -0.0001203600000000, 0.0000802100000000 ] - [ 0.0004983900000000, 0.0013113300000000, 0.0000203000000000 ] - [ 0.0006859200000000, 0.0021947900000000, 0.0000132200000000 ] - [ -0.0001768300000000, 0.0012196400000000, 0.0000445400000000 ] - [ 0.0010384600000000, -0.0024191000000000, 0.0000946400000000 ] - [ 0.0035808800000000, -0.0065179200000000, 0.0017959800000000 ] - [ -0.0274869200000000, -0.0411334400000000, -0.0303411700000000 ] - [ -0.0001511700000000, 0.0027904900000000, -0.0001084100000000 ] - [ 0.0244251400000000, -0.0673581800000000, 0.0438825500000000 ] - [ -0.0005956200000000, 0.0016233100000000, -0.0003079700000000 ] - [ -0.0006401400000000, 0.0015253500000000, -0.0000881000000000 ] - [ -0.0005513100000000, 0.0015008200000000, 0.0000895200000000 ] - [ -0.0000600000000000, 0.0007658500000000, 0.0000403900000000 ] - [ -0.0000274100000000, 0.0019721200000000, 0.0000715900000000 ] - [ -0.0007405500000000, 0.0016409600000000, 0.0002513000000000 ] - [ -0.0006652400000000, 0.0017763000000000, -0.0000165100000000 ] - [ 0.0004022200000000, 0.0015008300000000, 0.0000941500000000 ] - [ -0.0004731000000000, 0.0019466200000000, 0.0002562300000000 ] - [ 0.0008686800000000, 0.0026062200000000, -0.0005911500000000 ] - [ -0.0017363900000000, 0.0051881800000000, -0.0007812900000000 ] - [ 0.0264432800000000, -0.0712105600000000, -0.0464708900000000 ] - [ -0.0031936500000000, -0.0061740000000000, 0.0039424400000000 ] - [ -0.0017995300000000, 0.0020981600000000, -0.0002568900000000 ] - [ 0.0003431800000000, 0.0024798500000000, 0.0003640700000000 ] - [ 0.0008442700000000, 0.0016726400000000, -0.0002196900000000 ] - [ -0.0001108800000000, 0.0016637800000000, -0.0000969900000000 ] - [ 0.0007197700000000, -0.0003049800000000, 0.0002080500000000 ] - [ 0.0002371000000000, -0.0025830200000000, -0.0002265300000000 ] - [ -0.0002608000000000, 0.0016221600000000, 0.0000545100000000 ] - [ -0.0003534200000000, 0.0022620800000000, -0.0000316900000000 ] - [ 0.0028840000000000, 0.0023708900000000, 0.0003154300000000 ] - [ -0.0045656600000000, 0.0011571300000000, 0.0015882500000000 ] - [ -0.0031136700000000, -0.0050334500000000, -0.0041682500000000 ] - [ 0.0005111600000000, 0.0008403200000000, -0.0002246700000000 ] - [ -0.0001139300000000, 0.0021552800000000, 0.0002210900000000 ] - [ 0.0015735800000000, 0.0008642200000000, 0.0002673600000000 ] - [ 0.0002865600000000, 0.0011063800000000, 0.0002956300000000 ] - [ 0.0006866400000000, 0.0004608200000000, 0.0001991800000000 ] - [ -0.0009794500000000, -0.0014141600000000, -0.0005000100000000 ] - [ 0.0000199600000000, 0.0016754700000000, -0.0000368100000000 ] - [ -0.0060608200000000, -0.0030529400000000, -0.0018491700000000 ] - [ -0.0007691000000000, 0.0014914100000000, 0.0000918300000000 ] - [ -0.0035097900000000, 0.0031370800000000, 0.0007178200000000 ] - [ -0.0011989900000000, 0.0000113000000000, 0.0006191400000000 ] - [ 0.0038812100000000, -0.0035164500000000, -0.0016501600000000 ] - [ -0.0005455000000000, 0.0014289400000000, -0.0001027900000000 ] - [ -0.0134077200000000, -0.0338134800000000, 0.0162481000000000 ] - [ 0.0013425400000000, -0.0003854200000000, 0.0002623500000000 ] - [ 0.0013239500000000, -0.0026166200000000, -0.0002216700000000 ] - [ 0.0004906000000000, 0.0018974200000000, 0.0000274200000000 ] - [ -0.0004774000000000, 0.0003587500000000, 0.0000537700000000 ] - [ 0.0005320600000000, 0.0019329300000000, -0.0000015600000000 ] - [ 0.0001607200000000, 0.0011642300000000, -0.0000736700000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0008896300000000, -0.0004447600000000, 0.0000409600000000 ] - [ 0.0000805900000000, 0.0004274400000000, -0.0000047000000000 ] - [ 0.0008101600000000, 0.0003184300000000, -0.0003967400000000 ] - [ -0.0030463400000000, 0.0060705500000000, 0.0007222300000000 ] - [ 0.0011785600000000, -0.0059030600000000, 0.0022644600000000 ] - [ -0.0000894800000000, 0.0000351900000000, 0.0000106400000000 ] - [ -0.0001522300000000, 0.0003405700000000, -0.0001164000000000 ] - [ 0.0001083100000000, 0.0000553000000000, -0.0000981200000000 ] - [ 0.0002156800000000, 0.0004935000000000, 0.1493929100000000 ] - [ -0.0006008600000000, 0.0003118800000000, 0.0001793600000000 ] - [ -0.0054399300000000, -0.0229504900000000, -0.3833578900000000 ] - [ -0.0001032100000000, 0.0001504100000000, 0.0001088100000000 ] - [ -0.0004775400000000, 0.0002865900000000, -0.0001502700000000 ] - [ -0.0001649400000000, 0.0001531700000000, -0.0000919900000000 ] - [ 0.0009618900000000, 0.0003076000000000, 0.0003484000000000 ] - [ 0.0009864100000000, 0.0003709800000000, -0.0003140800000000 ] - [ 0.0003135800000000, -0.0009334400000000, -0.0002586900000000 ] - [ 0.0011844200000000, 0.0011682400000000, -0.0026490000000000 ] - [ 0.0001492100000000, -0.0028843300000000, 0.0005192100000000 ] - [ -0.0155776300000000, 0.0076849200000000, 0.0014107000000000 ] - [ 0.0005829500000000, 0.0026164500000000, -0.0011069800000000 ] - [ 0.0000610400000000, 0.0006112700000000, -0.0000510000000000 ] - [ -0.0005720700000000, 0.0009556500000000, -0.0014950400000000 ] - [ -0.0000833600000000, 0.0001867000000000, 0.0000435900000000 ] - [ -0.0000150800000000, 0.0007467700000000, 0.0001214000000000 ] - [ 0.0001252300000000, -0.0000776600000000, 0.0000270800000000 ] - [ 0.0018079000000000, -0.0012253700000000, 0.0001421200000000 ] - [ -0.0000745100000000, 0.0001354600000000, -0.0001725300000000 ] - [ -0.0004918100000000, 0.0000003100000000, 0.0000720500000000 ] - [ 0.0019448500000000, 0.0028388300000000, 0.0001062200000000 ] - [ 0.0003108100000000, 0.0004067000000000, 0.0000193400000000 ] - [ -0.0019617500000000, -0.0035103200000000, 0.0014738000000000 ] - [ -0.0118822900000000, 0.0080474500000000, -0.0014283500000000 ] - [ -0.0012215900000000, -0.0037586300000000, -0.0015819900000000 ] - [ -0.0000983200000000, -0.0002600000000000, -0.0003791100000000 ] - [ 0.0173513100000000, -0.0022712000000000, 0.0008636200000000 ] - [ -0.0007774700000000, 0.0005830600000000, -0.0002851000000000 ] - [ 0.0144986500000000, 0.0018947300000000, 0.0027931300000000 ] - [ -0.0003669400000000, 0.0001946100000000, -0.0000757700000000 ] - [ 0.0004573400000000, 0.0007312000000000, 0.0016203100000000 ] - [ 0.0009013600000000, 0.0004636000000000, -0.0000557100000000 ] - [ -0.0017773700000000, -0.0019569600000000, -0.0005945900000000 ] - [ 0.0007848900000000, 0.0002410100000000, 0.0001291700000000 ] - [ 0.0004252400000000, 0.0005684400000000, 0.0022100800000000 ] - [ 0.0000137700000000, 0.0000830700000000, -0.0000179100000000 ] - [ -0.0021898300000000, 0.0003433400000000, 0.0002287000000000 ] - [ -0.0001491700000000, 0.0004742600000000, 0.0001512400000000 ] - [ -0.0006510400000000, 0.0000823000000000, -0.0000318200000000 ] - [ -0.0002071800000000, -0.0000411800000000, -0.0000930100000000 ] - [ -0.0000479100000000, 0.0000138200000000, 0.0002065200000000 ] - [ -0.0005929900000000, 0.0003310900000000, -0.0000484600000000 ] - [ -0.0031469700000000, -0.0043410200000000, -0.0026140400000000 ] - [ 0.0006467500000000, -0.0001087800000000, 0.0000008900000000 ] - [ 0.0003402400000000, -0.0002135500000000, -0.0000287200000000 ] - [ -0.0000643100000000, -0.0002254900000000, 0.0000395100000000 ] - [ 0.0001574800000000, 0.0008761900000000, 0.0001535200000000 ] - [ -0.0032578600000000, 0.0034196500000000, -0.0024930900000000 ] - [ 0.0426920800000000, 0.0260649500000000, 0.0619223200000000 ] - [ -0.0006180500000000, -0.0007108300000000, 0.0000382000000000 ] - [ 0.0189984300000000, -0.0364737600000000, 0.0521990400000000 ] - [ -0.0001093900000000, -0.0000254700000000, -0.0000383200000000 ] - [ 0.0004909600000000, 0.0003770200000000, -0.0002234000000000 ] - [ -0.0002152700000000, -0.0001089300000000, -0.0001764600000000 ] - [ -0.0006335800000000, -0.0006665700000000, 0.0000371500000000 ] - [ -0.0001069000000000, 0.0002501200000000, 0.0000769700000000 ] - [ -0.0000833100000000, -0.0003091400000000, 0.0003132100000000 ] - [ -0.0002149700000000, -0.0003504300000000, -0.0000926600000000 ] - [ -0.0002138600000000, -0.0001677400000000, 0.0000795700000000 ] - [ 0.0001351400000000, 0.0005856700000000, 0.0000506500000000 ] - [ 0.0018268700000000, 0.0011463000000000, 0.0001512000000000 ] - [ 0.0013536500000000, -0.0049755400000000, 0.0040857600000000 ] - [ -0.0232144200000000, 0.0432966400000000, 0.0609150700000000 ] - [ -0.0017772300000000, -0.0035736400000000, 0.0053147900000000 ] - [ 0.0009303300000000, -0.0011181800000000, 0.0004068700000000 ] - [ -0.0016755400000000, -0.0007230500000000, -0.0001801400000000 ] - [ 0.0009246400000000, -0.0010702900000000, -0.0002540200000000 ] - [ -0.0003940400000000, 0.0001577900000000, -0.0001964700000000 ] - [ -0.0012333700000000, -0.0007527500000000, -0.0003269400000000 ] - [ 0.0003320900000000, 0.0010718100000000, -0.0014084100000000 ] - [ 0.0000706100000000, -0.0001857300000000, 0.0000107700000000 ] - [ -0.0003519500000000, -0.0005297500000000, -0.0001657700000000 ] - [ -0.0026809600000000, -0.0005298200000000, 0.0000680300000000 ] - [ 0.0033221400000000, -0.0003851900000000, -0.0030586900000000 ] - [ -0.0003519300000000, -0.0045005300000000, -0.0046178200000000 ] - [ -0.0008954700000000, 0.0000798000000000, -0.0001918300000000 ] - [ -0.0001387100000000, -0.0004643500000000, 0.0002522200000000 ] - [ 0.0007472200000000, -0.0011779900000000, 0.0005174400000000 ] - [ -0.0000378000000000, 0.0002202800000000, 0.0003171000000000 ] - [ -0.0006682800000000, -0.0011653900000000, 0.0003002700000000 ] - [ 0.0022020800000000, 0.0009339200000000, 0.0005171900000000 ] - [ -0.0002474000000000, -0.0002008600000000, 0.0000049000000000 ] - [ 0.0051833100000000, 0.0012007000000000, 0.0030754300000000 ] - [ 0.0002310500000000, -0.0003068800000000, 0.0000790400000000 ] - [ -0.0040642200000000, 0.0035254200000000, 0.0037016300000000 ] - [ -0.0013303200000000, -0.0000784400000000, 0.0007539900000000 ] - [ -0.0025161800000000, 0.0009260600000000, 0.0033294800000000 ] - [ -0.0003467500000000, -0.0001409900000000, 0.0000793300000000 ] - [ -0.0310594200000000, -0.0138708900000000, 0.0493912900000000 ] - [ 0.0000335400000000, 0.0010993600000000, -0.0002725200000000 ] - [ 0.0055589600000000, 0.0007225400000000, -0.0022728000000000 ] - [ -0.0001024900000000, -0.0000118700000000, 0.0000312900000000 ] - [ 0.0002556300000000, -0.0003417200000000, 0.0001043800000000 ] - [ 0.0000674200000000, -0.0005016300000000, 0.0000002900000000 ] - [ -0.0003013500000000, -0.0001545200000000, -0.0000575100000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0008888200000000, 0.0003157100000000, -0.0000587200000000 ] - [ -0.0000800900000000, -0.0005566900000000, -0.0000143300000000 ] - [ -0.0006530200000000, -0.0001711000000000, 0.0001433000000000 ] - [ 0.0032028000000000, -0.0062155500000000, -0.0009545700000000 ] - [ -0.0011788200000000, 0.0060268300000000, -0.0022596700000000 ] - [ 0.0000887400000000, 0.0000944600000000, -0.0000296700000000 ] - [ -0.0000063500000000, -0.0001944600000000, -0.0001342600000000 ] - [ -0.0002667500000000, -0.0002013900000000, -0.0001513600000000 ] - [ 0.0001930200000000, -0.0004802700000000, -0.1491165700000000 ] - [ 0.0001792500000000, -0.0004056700000000, -0.0003472600000000 ] - [ 0.0060672500000000, 0.0234063900000000, 0.3832539500000000 ] - [ -0.0001896900000000, -0.0000598900000000, 0.0000980300000000 ] - [ 0.0001847000000000, -0.0003770500000000, 0.0003567400000000 ] - [ -0.0002562300000000, -0.0000590000000000, -0.0000762900000000 ] - [ -0.0006669400000000, -0.0003998500000000, -0.0001431200000000 ] - [ -0.0005630100000000, -0.0004663600000000, 0.0001471000000000 ] - [ -0.0001090200000000, 0.0003820400000000, 0.0002078200000000 ] - [ -0.0013300700000000, -0.0007185000000000, 0.0027100500000000 ] - [ 0.0000481900000000, 0.0029375100000000, -0.0004038600000000 ] - [ 0.0161914300000000, -0.0079333500000000, -0.0016705300000000 ] - [ 0.0000117600000000, -0.0023552700000000, 0.0008954800000000 ] - [ 0.0001437700000000, -0.0000611700000000, 0.0000004100000000 ] - [ 0.0003317000000000, -0.0009457500000000, 0.0014017900000000 ] - [ -0.0001213100000000, -0.0002368100000000, 0.0000602100000000 ] - [ 0.0001575000000000, -0.0002982800000000, -0.0000467500000000 ] - [ 0.0000174700000000, -0.0003699500000000, 0.0000468500000000 ] - [ -0.0012314900000000, 0.0011123200000000, -0.0002527700000000 ] - [ -0.0003153600000000, -0.0003402200000000, -0.0002061000000000 ] - [ 0.0001054000000000, -0.0002119400000000, 0.0002307800000000 ] - [ -0.0023318900000000, -0.0026370200000000, -0.0004776300000000 ] - [ 0.0002639900000000, -0.0002947800000000, -0.0001317300000000 ] - [ 0.0021635200000000, 0.0034651100000000, -0.0013679700000000 ] - [ 0.0121278500000000, -0.0080422000000000, 0.0013819500000000 ] - [ 0.0016118400000000, 0.0035670900000000, 0.0011920500000000 ] - [ 0.0004884300000000, 0.0004656900000000, -0.0000019200000000 ] - [ -0.0169868100000000, 0.0024583200000000, -0.0005417000000000 ] - [ 0.0002020300000000, -0.0006937200000000, 0.0001723800000000 ] - [ -0.0146535800000000, -0.0023642900000000, -0.0027814100000000 ] - [ -0.0002306100000000, -0.0004513300000000, -0.0001278000000000 ] - [ -0.0000659400000000, -0.0009535500000000, -0.0013068600000000 ] - [ -0.0011055900000000, -0.0004141200000000, 0.0001579200000000 ] - [ 0.0012011300000000, 0.0020586700000000, 0.0004753600000000 ] - [ -0.0005463100000000, -0.0002233500000000, -0.0002083700000000 ] - [ -0.0006302100000000, -0.0000050800000000, -0.0022441800000000 ] - [ -0.0002517100000000, -0.0001016500000000, -0.0000625100000000 ] - [ 0.0019838300000000, -0.0008933500000000, -0.0002782900000000 ] - [ -0.0002366700000000, -0.0002621900000000, 0.0001514200000000 ] - [ 0.0000531500000000, 0.0001743200000000, -0.0001720100000000 ] - [ -0.0002913900000000, 0.0002715900000000, -0.0001557900000000 ] - [ -0.0002383500000000, 0.0001878300000000, 0.0002713700000000 ] - [ -0.0000098200000000, -0.0001903400000000, -0.0001174000000000 ] - [ 0.0034135400000000, 0.0045069000000000, 0.0030979500000000 ] - [ -0.0001348500000000, 0.0000027900000000, -0.0000996200000000 ] - [ -0.0004543000000000, 0.0003833900000000, -0.0000217200000000 ] - [ -0.0000129300000000, -0.0000237100000000, 0.0000339700000000 ] - [ -0.0002729800000000, -0.0010476400000000, -0.0002041800000000 ] - [ 0.0036742400000000, -0.0034630500000000, 0.0024984200000000 ] - [ -0.0448414100000000, -0.0277739100000000, -0.0638025900000000 ] - [ 0.0002015000000000, 0.0007594100000000, -0.0000399900000000 ] - [ -0.0177001400000000, 0.0344650400000000, -0.0504097100000000 ] - [ 0.0002249300000000, -0.0000484700000000, -0.0001621800000000 ] - [ -0.0000747000000000, -0.0003298100000000, 0.0002240200000000 ] - [ 0.0000997300000000, 0.0001828600000000, -0.0000237700000000 ] - [ 0.0006800600000000, 0.0004133400000000, 0.0000342400000000 ] - [ -0.0000926700000000, 0.0004699200000000, 0.0000897700000000 ] - [ -0.0002871200000000, 0.0002326300000000, 0.0003204000000000 ] - [ -0.0003873100000000, 0.0002095700000000, -0.0000733500000000 ] - [ 0.0000247500000000, 0.0001148900000000, 0.0000892700000000 ] - [ 0.0004355700000000, -0.0006001800000000, 0.0000751100000000 ] - [ -0.0010784000000000, -0.0018719400000000, -0.0005276100000000 ] - [ -0.0014613900000000, 0.0048675100000000, -0.0042720700000000 ] - [ 0.0220370600000000, -0.0407576800000000, -0.0588949800000000 ] - [ 0.0021107300000000, 0.0035075800000000, -0.0046890800000000 ] - [ -0.0009741800000000, 0.0008646400000000, -0.0003322500000000 ] - [ 0.0011064600000000, 0.0007080300000000, 0.0003070600000000 ] - [ -0.0003210700000000, 0.0012088400000000, 0.0000880800000000 ] - [ -0.0003531600000000, 0.0005693800000000, -0.0001781500000000 ] - [ 0.0014206400000000, 0.0008102600000000, 0.0004931700000000 ] - [ 0.0004205400000000, -0.0003492000000000, 0.0010313000000000 ] - [ -0.0001477100000000, 0.0004345400000000, 0.0000627600000000 ] - [ -0.0001466100000000, 0.0002995200000000, -0.0000831200000000 ] - [ 0.0021658700000000, 0.0004232200000000, -0.0001666100000000 ] - [ -0.0032425100000000, 0.0004665200000000, 0.0028768100000000 ] - [ 0.0006649500000000, 0.0043149000000000, 0.0051238600000000 ] - [ 0.0001480500000000, -0.0008072200000000, -0.0001825300000000 ] - [ -0.0001477400000000, 0.0002624700000000, 0.0002255500000000 ] - [ -0.0003773000000000, 0.0012559700000000, 0.0001159600000000 ] - [ -0.0003323500000000, -0.0001431600000000, 0.0003163300000000 ] - [ 0.0008633500000000, 0.0004423300000000, -0.0001310800000000 ] - [ -0.0016866800000000, -0.0008271500000000, -0.0006117300000000 ] - [ -0.0001680100000000, 0.0001498600000000, -0.0000064200000000 ] - [ -0.0045887800000000, -0.0011917500000000, -0.0029334700000000 ] - [ -0.0004198400000000, 0.0003597800000000, 0.0000897600000000 ] - [ 0.0045398400000000, -0.0037230900000000, -0.0039482200000000 ] - [ 0.0014050900000000, 0.0003280000000000, -0.0006789400000000 ] - [ 0.0030416400000000, -0.0006937100000000, -0.0035993600000000 ] - [ -0.0002237000000000, 0.0001589600000000, 0.0000461500000000 ] - [ 0.0332854900000000, 0.0154387600000000, -0.0510258600000000 ] - [ 0.0000805100000000, -0.0009269000000000, 0.0002217800000000 ] - [ -0.0049141000000000, -0.0008507700000000, 0.0021124100000000 ] - [ 0.0000554000000000, 0.0002662600000000, 0.0000404300000000 ] - [ -0.0004551100000000, -0.0003781300000000, 0.0000624100000000 ] - [ 0.0000469700000000, 0.0003311600000000, -0.0000504900000000 ] - [ -0.0002103500000000, 0.0002597900000000, -0.0000414500000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0035433600000000, -0.0047007300000000, 0.0004467900000000 ] - [ 0.0003387300000000, 0.0004758800000000, 0.0000223100000000 ] - [ 0.0002753300000000, -0.0005803500000000, -0.0000758100000000 ] - [ 0.0000450100000000, 0.0002628900000000, -0.0001344900000000 ] - [ 0.0011264800000000, 0.0164625200000000, 0.0008213600000000 ] - [ -0.0001198800000000, -0.0006857900000000, 0.0000030600000000 ] - [ 0.0041900300000000, 0.0011454200000000, -0.0002860400000000 ] - [ -0.0131114900000000, -0.0129670200000000, -0.0004815300000000 ] - [ 0.0002306500000000, 0.0011137000000000, -0.0002869600000000 ] - [ 0.0079871400000000, -0.0008394100000000, 0.0004857500000000 ] - [ 0.0001354000000000, 0.0011476900000000, 0.0003114900000000 ] - [ -0.0035521400000000, -0.0015978400000000, 0.0021862500000000 ] - [ 0.0092114100000000, -0.0003777800000000, -0.0004286000000000 ] - [ -0.0034970900000000, -0.0018847600000000, -0.0021945600000000 ] - [ 0.0001757700000000, 0.0000149200000000, 0.0000595700000000 ] - [ 0.0002329200000000, 0.0000090800000000, -0.0000426800000000 ] - [ -0.3863015700000000, 0.0064324800000000, -0.0166341200000000 ] - [ -0.0002629300000000, 0.0001744500000000, 0.0000279000000000 ] - [ -0.0001221300000000, 0.0000941000000000, 0.0000788800000000 ] - [ -0.0032522900000000, -0.0006769200000000, 0.0002305700000000 ] - [ 0.0006027300000000, 0.0002220700000000, -0.0001338200000000 ] - [ 0.0041095000000000, -0.0009609900000000, -0.0003438600000000 ] - [ 0.0108123600000000, 0.0007745700000000, -0.0029472600000000 ] - [ 0.0026979600000000, 0.0049941500000000, 0.0013800200000000 ] - [ 0.0111784200000000, -0.0050657600000000, 0.0020810700000000 ] - [ -0.0059297700000000, 0.0105647800000000, -0.0011196400000000 ] - [ -0.0254113400000000, -0.0039235400000000, -0.0041382200000000 ] - [ 0.0002124100000000, 0.0023019300000000, -0.0001028300000000 ] - [ 0.0198868200000000, 0.0205572600000000, 0.0061690000000000 ] - [ 0.0035616000000000, 0.0102713400000000, 0.0035893000000000 ] - [ 0.0017671700000000, -0.0004911600000000, -0.0002259500000000 ] - [ 0.0017556700000000, 0.0001112300000000, -0.0000943100000000 ] - [ 0.0029186200000000, 0.0033031600000000, -0.0005991500000000 ] - [ 0.0048743600000000, -0.0002359200000000, -0.0004524200000000 ] - [ -0.0002127600000000, 0.0000422300000000, -0.0001292700000000 ] - [ -0.0010259900000000, -0.0000183900000000, 0.0003598500000000 ] - [ -0.0002280200000000, -0.0002302500000000, -0.0000513800000000 ] - [ 0.0008178600000000, -0.0000509500000000, 0.0001427300000000 ] - [ 0.0003439000000000, -0.0037394500000000, -0.0002070700000000 ] - [ 0.0004998700000000, -0.0000654300000000, 0.0001742800000000 ] - [ 0.0445571900000000, -0.0057723200000000, -0.0007093400000000 ] - [ 0.0039885400000000, -0.0104903000000000, -0.0015218500000000 ] - [ -0.0003232300000000, 0.0004748800000000, 0.0001392300000000 ] - [ 0.0003263400000000, -0.0020909900000000, -0.0000640400000000 ] - [ -0.0023271000000000, -0.0001068800000000, 0.0002740800000000 ] - [ 0.0000063000000000, -0.0003026200000000, -0.0000372000000000 ] - [ 0.0021817000000000, -0.0072474200000000, -0.0016169200000000 ] - [ 0.0168164400000000, 0.0015354100000000, -0.0141074200000000 ] - [ -0.0037450700000000, -0.0099559200000000, -0.0000744500000000 ] - [ -0.0011846700000000, -0.0089237500000000, 0.0022447100000000 ] - [ 0.0448854600000000, 0.0060363800000000, 0.0235877000000000 ] - [ -0.0001091200000000, -0.0000312800000000, 0.0001651000000000 ] - [ 0.0003415600000000, 0.0001368200000000, -0.0000461900000000 ] - [ -0.0002950900000000, 0.0002759300000000, 0.0000380200000000 ] - [ 0.0066779400000000, -0.0005249500000000, 0.0004364900000000 ] - [ 0.0009300500000000, 0.0043854800000000, -0.0005402500000000 ] - [ -0.0010751300000000, 0.0000304000000000, -0.0000873200000000 ] - [ -0.0006219700000000, -0.0007357600000000, 0.0000155200000000 ] - [ -0.0115436300000000, 0.0016668900000000, 0.0072887700000000 ] - [ 0.0007773700000000, -0.0007286400000000, 0.0001166900000000 ] - [ 0.0006846800000000, -0.0000920300000000, -0.0002802100000000 ] - [ 0.0003745000000000, 0.0000374700000000, 0.0000097300000000 ] - [ 0.0007790500000000, -0.0007211600000000, 0.0000095100000000 ] - [ 0.0000820700000000, -0.0003126900000000, 0.0000040200000000 ] - [ 0.0011405000000000, 0.0019168800000000, 0.0001417200000000 ] - [ -0.0029071800000000, 0.0033030100000000, 0.0000088700000000 ] - [ -0.0020294200000000, 0.0014033200000000, -0.0003328400000000 ] - [ 0.0010118800000000, 0.0065824300000000, 0.0002802000000000 ] - [ 0.0006111200000000, -0.0000780700000000, 0.0000566100000000 ] - [ 0.0004367800000000, -0.0003715900000000, -0.0001731900000000 ] - [ -0.0036570700000000, -0.0036334800000000, -0.0006206400000000 ] - [ -0.0004265100000000, -0.0016691200000000, 0.0001170600000000 ] - [ 0.0014152000000000, 0.0011314300000000, 0.0004733700000000 ] - [ -0.0076978900000000, 0.0029534100000000, 0.0007955900000000 ] - [ -0.0140229700000000, -0.0072817800000000, -0.0013369700000000 ] - [ 0.0001852200000000, 0.0001352800000000, -0.0000817500000000 ] - [ -0.0041903100000000, -0.0011751300000000, -0.0004008600000000 ] - [ -0.0001100800000000, 0.0000540700000000, 0.0000814900000000 ] - [ -0.0008158700000000, 0.0012633600000000, -0.0001262800000000 ] - [ -0.0104819600000000, -0.0001598100000000, -0.0003427300000000 ] - [ -0.0098837100000000, 0.0081539300000000, -0.0025960100000000 ] - [ 0.0110351200000000, -0.0076355900000000, 0.0018273100000000 ] - [ -0.0042134300000000, -0.0019596300000000, 0.0005857400000000 ] - [ 0.0009780500000000, 0.0000558800000000, 0.0001856500000000 ] - [ 0.2139488400000000, -0.0515872300000000, 0.0224952500000000 ] - [ -0.0024196100000000, 0.0036389600000000, 0.0007348200000000 ] - [ 0.0000202300000000, 0.0000541700000000, 0.0003175700000000 ] - [ 0.0647350700000000, 0.0452337300000000, -0.0268063400000000 ] - [ -0.0000708200000000, -0.0005513000000000, 0.0000832000000000 ] - [ -0.0022967400000000, 0.0023505900000000, 0.0004881400000000 ] - [ -0.0006335900000000, -0.0037460200000000, -0.0001343900000000 ] - [ -0.0020891700000000, -0.0006197000000000, -0.0001022500000000 ] - [ -0.0090584200000000, -0.0011978300000000, -0.0004104500000000 ] - [ 0.0005549000000000, -0.0000818000000000, -0.0002538400000000 ] - [ 0.0002015200000000, 0.0001681000000000, 0.0000513200000000 ] - [ -0.0002419700000000, 0.0001005800000000, 0.0000125700000000 ] - [ 0.0004239800000000, -0.0021633000000000, 0.0000840300000000 ] - [ 0.0015547800000000, -0.0024937400000000, 0.0001958300000000 ] - [ 0.0359811200000000, -0.0063521300000000, -0.0008272200000000 ] - [ 0.0004639500000000, 0.0032855000000000, 0.0000181200000000 ] - [ 0.0024054400000000, 0.0017600300000000, 0.0000342300000000 ] - [ -0.0101345300000000, 0.0015170600000000, 0.0029201200000000 ] - [ -0.0008390000000000, 0.0003314900000000, -0.0000651700000000 ] - [ -0.0015717400000000, -0.0005622700000000, -0.0000824800000000 ]- atom: 17 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0035538200000000, 0.0045469100000000, -0.0004606600000000 ] - [ -0.0003393000000000, -0.0006067800000000, -0.0000417700000000 ] - [ -0.0001223300000000, 0.0007274100000000, -0.0001755500000000 ] - [ 0.0001144200000000, -0.0004111200000000, -0.0001162500000000 ] - [ -0.0011476500000000, -0.0164534200000000, -0.0008439100000000 ] - [ 0.0001194000000000, 0.0008156600000000, -0.0000222900000000 ] - [ -0.0043528900000000, -0.0009898700000000, 0.0000369200000000 ] - [ 0.0130070100000000, 0.0128351200000000, 0.0002597300000000 ] - [ 0.0001930400000000, -0.0010250600000000, 0.0001206000000000 ] - [ -0.0083918300000000, 0.0007569300000000, -0.0006515800000000 ] - [ 0.0001599500000000, -0.0010626500000000, -0.0001066800000000 ] - [ 0.0032630900000000, 0.0016899700000000, -0.0019828800000000 ] - [ -0.0094843700000000, 0.0003003000000000, 0.0006311700000000 ] - [ 0.0030796600000000, 0.0019802500000000, 0.0020295900000000 ] - [ 0.0001165600000000, -0.0001061800000000, 0.0001468200000000 ] - [ 0.0001876900000000, -0.0001040100000000, -0.0001253700000000 ] - [ 0.3991852900000000, -0.0143020100000000, 0.0202723700000000 ] - [ 0.0001190200000000, 0.0002754600000000, 0.0000449700000000 ] - [ 0.0003288700000000, -0.0000445700000000, 0.0000248400000000 ] - [ 0.0038787000000000, 0.0004275300000000, -0.0004391200000000 ] - [ -0.0000054900000000, 0.0000322700000000, -0.0000697600000000 ] - [ -0.0039023200000000, 0.0015117900000000, 0.0002927100000000 ] - [ -0.0110519600000000, -0.0007733100000000, 0.0028655200000000 ] - [ -0.0029123900000000, -0.0050474400000000, -0.0012804700000000 ] - [ -0.0110258200000000, 0.0055449400000000, -0.0019789900000000 ] - [ 0.0060827000000000, -0.0110278600000000, 0.0012025400000000 ] - [ 0.0261632300000000, 0.0038922400000000, 0.0040345000000000 ] - [ -0.0006043300000000, -0.0025100800000000, -0.0002745800000000 ] - [ -0.0202845900000000, -0.0206302800000000, -0.0059163000000000 ] - [ -0.0039935700000000, -0.0100347000000000, -0.0039669500000000 ] - [ -0.0011924100000000, 0.0006027400000000, 0.0001141200000000 ] - [ -0.0015617800000000, -0.0001675600000000, 0.0001972900000000 ] - [ -0.0026856700000000, -0.0033318200000000, 0.0005208200000000 ] - [ -0.0044805200000000, 0.0000208400000000, 0.0000744500000000 ] - [ 0.0006045700000000, 0.0001623700000000, -0.0002498600000000 ] - [ 0.0014216800000000, 0.0002323200000000, -0.0000576400000000 ] - [ -0.0003482700000000, 0.0001174400000000, -0.0000608900000000 ] - [ -0.0009624600000000, -0.0004020700000000, -0.0000673200000000 ] - [ -0.0009431200000000, 0.0034836000000000, 0.0000063700000000 ] - [ -0.0001147300000000, -0.0001492900000000, 0.0001283200000000 ] - [ -0.0450777500000000, 0.0059920100000000, 0.0007189700000000 ] - [ -0.0046674700000000, 0.0105931000000000, 0.0014136100000000 ] - [ 0.0005614300000000, -0.0004580900000000, -0.0002194800000000 ] - [ -0.0005463000000000, 0.0026667100000000, 0.0000201200000000 ] - [ 0.0020938000000000, 0.0000888700000000, -0.0003553900000000 ] - [ -0.0002117000000000, -0.0002494900000000, -0.0000130500000000 ] - [ -0.0025830500000000, 0.0074429800000000, 0.0019071900000000 ] - [ -0.0174976500000000, -0.0011614400000000, 0.0139100500000000 ] - [ 0.0032648500000000, 0.0102247300000000, -0.0001654200000000 ] - [ 0.0009202600000000, 0.0091413400000000, -0.0018011600000000 ] - [ -0.0457788500000000, -0.0058347100000000, -0.0238056600000000 ] - [ 0.0003970000000000, 0.0002360800000000, 0.0003132300000000 ] - [ 0.0001696800000000, -0.0002407100000000, -0.0000527500000000 ] - [ 0.0001808900000000, -0.0001054400000000, -0.0000883500000000 ] - [ -0.0067591300000000, 0.0002739000000000, -0.0003639400000000 ] - [ -0.0010320100000000, -0.0045954100000000, 0.0004741300000000 ] - [ 0.0014920000000000, -0.0000751700000000, 0.0000876200000000 ] - [ 0.0006974800000000, 0.0004903000000000, 0.0000576400000000 ] - [ 0.0111542200000000, -0.0016430900000000, -0.0073021000000000 ] - [ -0.0005921200000000, 0.0006793500000000, 0.0000516800000000 ] - [ -0.0005703400000000, 0.0000193900000000, 0.0000798200000000 ] - [ 0.0000405800000000, 0.0000134500000000, -0.0000107500000000 ] - [ -0.0008958400000000, 0.0007957500000000, -0.0002099800000000 ] - [ -0.0000366900000000, 0.0000584500000000, 0.0000671100000000 ] - [ -0.0013414800000000, -0.0011987900000000, 0.0000243000000000 ] - [ 0.0025373100000000, -0.0033739400000000, 0.0006251800000000 ] - [ 0.0014283500000000, -0.0015454100000000, 0.0001674800000000 ] - [ -0.0011971900000000, -0.0066494400000000, -0.0001099500000000 ] - [ -0.0000405100000000, 0.0000603300000000, 0.0000689400000000 ] - [ 0.0003104500000000, -0.0003552000000000, -0.0002016400000000 ] - [ 0.0035499200000000, 0.0035668300000000, 0.0004211000000000 ] - [ 0.0004716300000000, 0.0019349200000000, -0.0000457300000000 ] - [ -0.0010515000000000, -0.0012175900000000, 0.0001596400000000 ] - [ 0.0076414200000000, -0.0032067100000000, -0.0007232600000000 ] - [ 0.0134671100000000, 0.0072430100000000, 0.0014641100000000 ] - [ 0.0004166600000000, 0.0000072900000000, -0.0000838800000000 ] - [ 0.0034477500000000, 0.0019012600000000, 0.0000272700000000 ] - [ 0.0003023500000000, 0.0000009900000000, 0.0000870900000000 ] - [ 0.0015805500000000, -0.0005380700000000, -0.0002491600000000 ] - [ 0.0103901300000000, 0.0003945600000000, 0.0004109300000000 ] - [ 0.0093192000000000, -0.0083417300000000, 0.0023290500000000 ] - [ -0.0115646000000000, 0.0075648400000000, -0.0019600300000000 ] - [ 0.0043301100000000, 0.0020389700000000, -0.0007849200000000 ] - [ -0.0006971700000000, -0.0002629800000000, 0.0002924800000000 ] - [ -0.2279898300000000, 0.0551976600000000, -0.0250681500000000 ] - [ 0.0021317300000000, -0.0038449600000000, -0.0002582400000000 ] - [ 0.0003504400000000, 0.0000247000000000, 0.0003157000000000 ] - [ -0.0637618800000000, -0.0428815200000000, 0.0260315800000000 ] - [ 0.0002734600000000, -0.0001665600000000, 0.0000832800000000 ] - [ 0.0028261000000000, -0.0022287800000000, -0.0005862100000000 ] - [ 0.0002200500000000, 0.0036994100000000, 0.0001332000000000 ] - [ 0.0026667800000000, 0.0006449800000000, 0.0002274600000000 ] - [ 0.0088760200000000, 0.0012266900000000, 0.0005817600000000 ] - [ -0.0000577400000000, -0.0001497400000000, 0.0000053400000000 ] - [ -0.0001256800000000, 0.0000809700000000, 0.0000220600000000 ] - [ 0.0007436300000000, 0.0001334400000000, -0.0002622200000000 ] - [ -0.0009965600000000, 0.0021886100000000, 0.0000413400000000 ] - [ -0.0013651100000000, 0.0032272600000000, -0.0000295500000000 ] - [ -0.0360134300000000, 0.0067685600000000, 0.0009066100000000 ] - [ 0.0001388300000000, -0.0034775600000000, -0.0001820800000000 ] - [ -0.0024535900000000, -0.0015072200000000, 0.0000373600000000 ] - [ 0.0099338200000000, -0.0022550400000000, -0.0027450100000000 ] - [ 0.0009540700000000, -0.0004999800000000, 0.0000153700000000 ] - [ 0.0010618600000000, 0.0006670500000000, -0.0000165400000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0071611800000000, -0.0058704300000000, 0.0014634700000000 ] - [ 0.0002127100000000, 0.0029210800000000, 0.0001025800000000 ] - [ -0.0007826100000000, 0.0036147600000000, -0.0002185300000000 ] - [ 0.0002914300000000, 0.0024558900000000, -0.0001438600000000 ] - [ 0.0142432400000000, 0.0029279900000000, -0.0002968700000000 ] - [ -0.0001378300000000, 0.0028378100000000, -0.0001074700000000 ] - [ 0.0019793100000000, 0.0013364000000000, -0.0002211500000000 ] - [ -0.0106776300000000, 0.0033335200000000, -0.0016831200000000 ] - [ 0.0013101200000000, 0.0008101000000000, 0.0005308400000000 ] - [ 0.0025696000000000, -0.0043281500000000, 0.0003505400000000 ] - [ 0.0012285400000000, 0.0007618000000000, -0.0005531300000000 ] - [ -0.0013569600000000, 0.0023975900000000, 0.0007220000000000 ] - [ 0.0038649800000000, -0.0044902000000000, -0.0001858200000000 ] - [ -0.0013976800000000, 0.0022770600000000, -0.0007149100000000 ] - [ 0.0002236800000000, 0.0021019000000000, -0.0002320000000000 ] - [ 0.0002765500000000, 0.0021007000000000, 0.0002692900000000 ] - [ 0.0085124200000000, -0.2819515300000000, 0.0304874300000000 ] - [ -0.0001218000000000, 0.0045513600000000, -0.0002451900000000 ] - [ 0.0005779500000000, 0.0034707300000000, 0.0000474200000000 ] - [ 0.0046094600000000, 0.0051816400000000, -0.0009386600000000 ] - [ 0.0001117600000000, 0.0030186300000000, -0.0001662300000000 ] - [ 0.0013377100000000, 0.0027371300000000, 0.0000014700000000 ] - [ 0.0002562200000000, -0.0064829400000000, 0.0012635100000000 ] - [ 0.0020703000000000, 0.0050339800000000, 0.0006314600000000 ] - [ 0.0009898900000000, -0.0010926700000000, -0.0006530500000000 ] - [ -0.0005674200000000, 0.0085318300000000, -0.0008870200000000 ] - [ 0.0143694900000000, -0.0070338100000000, 0.0206725100000000 ] - [ 0.0002512100000000, 0.0039603400000000, -0.0002343400000000 ] - [ 0.0192165500000000, 0.0183100100000000, 0.0054922000000000 ] - [ 0.0081451100000000, -0.0111856500000000, -0.0027681200000000 ] - [ 0.0013294800000000, 0.0028141300000000, -0.0001708700000000 ] - [ -0.0033546200000000, 0.0015797700000000, 0.0003240200000000 ] - [ -0.0008741900000000, -0.0032175500000000, -0.0002705300000000 ] - [ -0.0075084600000000, 0.0001633400000000, 0.0005328300000000 ] - [ 0.0000449500000000, 0.0035005200000000, -0.0001653800000000 ] - [ 0.0019875900000000, 0.0040015300000000, 0.0002361200000000 ] - [ 0.0000988100000000, 0.0029232000000000, -0.0000311900000000 ] - [ -0.0004357100000000, 0.0024897100000000, 0.0000901900000000 ] - [ -0.0011609700000000, 0.0006843300000000, -0.0004340500000000 ] - [ -0.0001875700000000, 0.0027244800000000, 0.0000622600000000 ] - [ -0.0099478000000000, 0.0001730400000000, 0.0008726900000000 ] - [ -0.0179878900000000, 0.0277521400000000, -0.0078708000000000 ] - [ -0.0000271500000000, 0.0036441600000000, 0.0001554700000000 ] - [ -0.0024812300000000, 0.0091429800000000, 0.0017383700000000 ] - [ -0.0004920500000000, 0.0036584800000000, -0.0001577500000000 ] - [ -0.0000730900000000, 0.0027616400000000, -0.0000893600000000 ] - [ -0.0024741100000000, -0.0008572800000000, -0.0002843100000000 ] - [ 0.0013824500000000, -0.0242604300000000, -0.0186180900000000 ] - [ -0.0029766700000000, -0.0066074400000000, -0.0003389200000000 ] - [ -0.0043041500000000, -0.0027885900000000, -0.0003099000000000 ] - [ 0.0050427200000000, 0.0517977100000000, -0.0102805100000000 ] - [ 0.0001348400000000, -0.0026548300000000, 0.0002511700000000 ] - [ -0.0001144300000000, -0.0019051400000000, -0.0000852000000000 ] - [ -0.0007028700000000, -0.0026710500000000, 0.0000138100000000 ] - [ 0.0022333100000000, -0.0036424000000000, 0.0003274700000000 ] - [ 0.0026555100000000, -0.0063146100000000, -0.0026332600000000 ] - [ 0.0024449900000000, -0.0018913500000000, 0.0001948100000000 ] - [ -0.0005600800000000, -0.0015248300000000, -0.0000077000000000 ] - [ 0.0013265800000000, 0.0051554300000000, -0.0018529800000000 ] - [ -0.0006412000000000, -0.0015010900000000, 0.0000426000000000 ] - [ 0.0007966500000000, -0.0028532700000000, 0.0003692300000000 ] - [ -0.0002962500000000, -0.0032177300000000, -0.0000442000000000 ] - [ 0.0006202400000000, -0.0028921800000000, -0.0005766300000000 ] - [ -0.0008340800000000, -0.0030656400000000, 0.0000235400000000 ] - [ 0.0012061400000000, -0.0014837400000000, 0.0001546200000000 ] - [ 0.0003909600000000, -0.0008260200000000, 0.0005452500000000 ] - [ -0.0002391400000000, -0.0018327000000000, -0.0002107500000000 ] - [ 0.0021871600000000, -0.0015134900000000, 0.0003289600000000 ] - [ 0.0007762900000000, -0.0025945200000000, -0.0002022600000000 ] - [ -0.0002097900000000, -0.0024352000000000, -0.0000658600000000 ] - [ -0.0015855200000000, 0.0038347900000000, -0.0005737300000000 ] - [ -0.0006526500000000, 0.0007085500000000, -0.0001219700000000 ] - [ -0.0017060100000000, -0.0040800100000000, 0.0003549800000000 ] - [ -0.0025300400000000, 0.0062231400000000, 0.0001437600000000 ] - [ 0.0040096700000000, 0.0081752300000000, 0.0025161900000000 ] - [ 0.0008389600000000, -0.0024831700000000, 0.0000222600000000 ] - [ -0.0024354700000000, -0.0019113600000000, -0.0003216300000000 ] - [ -0.0002004800000000, -0.0022623800000000, 0.0000438300000000 ] - [ 0.0043342500000000, -0.0023390100000000, -0.0006825200000000 ] - [ -0.0014298800000000, 0.0017372700000000, -0.0000387800000000 ] - [ -0.0003265700000000, 0.0017936600000000, -0.0008272400000000 ] - [ -0.0152331100000000, 0.0088643900000000, -0.0023138800000000 ] - [ 0.0028277800000000, 0.0038682900000000, 0.0002814700000000 ] - [ -0.0006516800000000, -0.0044423600000000, 0.0002461100000000 ] - [ -0.0548823000000000, 0.0432055900000000, -0.0071066100000000 ] - [ 0.0001474400000000, 0.0004108000000000, -0.0000780800000000 ] - [ 0.0009743500000000, -0.0021881100000000, 0.0002039200000000 ] - [ 0.0522516000000000, 0.0865443200000000, -0.0260018800000000 ] - [ 0.0002162600000000, -0.0026999600000000, 0.0000620900000000 ] - [ 0.0135651100000000, -0.0039103700000000, 0.0009249000000000 ] - [ -0.0013337100000000, -0.0041685300000000, 0.0001270700000000 ] - [ 0.0031473900000000, 0.0004901200000000, 0.0011677300000000 ] - [ -0.0088970800000000, 0.0008139700000000, -0.0013440500000000 ] - [ -0.0003604400000000, -0.0035832800000000, -0.0001024000000000 ] - [ 0.0005517300000000, -0.0023815400000000, 0.0000882900000000 ] - [ 0.0010639900000000, -0.0023032200000000, -0.0001584300000000 ] - [ 0.0000358800000000, -0.0031966400000000, 0.0003692500000000 ] - [ -0.0022018200000000, -0.0011472100000000, 0.0002361700000000 ] - [ -0.0122999800000000, 0.0787375000000000, 0.0137977000000000 ] - [ -0.0001209400000000, -0.0098110300000000, -0.0003609300000000 ] - [ -0.0003256900000000, -0.0027275500000000, 0.0000503500000000 ] - [ -0.0058786700000000, 0.0102447200000000, 0.0061335000000000 ] - [ -0.0008026400000000, -0.0027173700000000, -0.0000748100000000 ] - [ -0.0013300400000000, -0.0019516300000000, -0.0000108400000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0071515400000000, 0.0057662000000000, -0.0014880900000000 ] - [ -0.0002123200000000, -0.0030498500000000, -0.0001223100000000 ] - [ 0.0009381900000000, -0.0034678400000000, -0.0000325200000000 ] - [ -0.0001329600000000, -0.0026007100000000, -0.0001066100000000 ] - [ -0.0143454500000000, -0.0028740300000000, 0.0002668300000000 ] - [ 0.0001366800000000, -0.0027067100000000, 0.0000877900000000 ] - [ -0.0021319900000000, -0.0011953000000000, -0.0000290200000000 ] - [ 0.0104403500000000, -0.0035078700000000, 0.0014156700000000 ] - [ -0.0008895400000000, -0.0007155600000000, -0.0006996100000000 ] - [ -0.0029959000000000, 0.0042307500000000, -0.0005116900000000 ] - [ -0.0009362800000000, -0.0006710400000000, 0.0007603000000000 ] - [ 0.0010613200000000, -0.0023037900000000, -0.0005169300000000 ] - [ -0.0041673100000000, 0.0043953900000000, 0.0003857300000000 ] - [ 0.0009733000000000, -0.0021805500000000, 0.0005481000000000 ] - [ 0.0000691900000000, -0.0021914100000000, 0.0004379600000000 ] - [ 0.0001445600000000, -0.0021937500000000, -0.0004370900000000 ] - [ -0.0121287400000000, 0.2849383800000000, -0.0249362100000000 ] - [ -0.0000221700000000, -0.0041006600000000, 0.0003178500000000 ] - [ -0.0003730500000000, -0.0034194500000000, 0.0000567400000000 ] - [ -0.0039992400000000, -0.0054388000000000, 0.0007296000000000 ] - [ 0.0004862300000000, -0.0027607900000000, -0.0000377600000000 ] - [ -0.0011303500000000, -0.0021876100000000, -0.0000519600000000 ] - [ -0.0004952900000000, 0.0065020700000000, -0.0013456800000000 ] - [ -0.0022722400000000, -0.0050782200000000, -0.0005286700000000 ] - [ -0.0008405100000000, 0.0015263100000000, 0.0007236600000000 ] - [ 0.0007042600000000, -0.0089501800000000, 0.0009735600000000 ] - [ -0.0137942800000000, 0.0070217200000000, -0.0207814600000000 ] - [ -0.0006408400000000, -0.0041612300000000, -0.0001425400000000 ] - [ -0.0194343100000000, -0.0184793400000000, -0.0052694800000000 ] - [ -0.0085553300000000, 0.0114354300000000, 0.0023975100000000 ] - [ -0.0007524800000000, -0.0027026000000000, 0.0000582100000000 ] - [ 0.0035630900000000, -0.0016273200000000, -0.0002208600000000 ] - [ 0.0011103700000000, 0.0032028100000000, 0.0001920700000000 ] - [ 0.0079137100000000, -0.0003633000000000, -0.0009110400000000 ] - [ 0.0003456700000000, -0.0032939700000000, -0.0002135300000000 ] - [ -0.0015998600000000, -0.0037883600000000, 0.0000684100000000 ] - [ -0.0006746400000000, -0.0030342300000000, -0.0000811300000000 ] - [ 0.0002928900000000, -0.0029368900000000, -0.0000155100000000 ] - [ 0.0005602200000000, -0.0009471500000000, 0.0002288200000000 ] - [ 0.0005736900000000, -0.0029353000000000, 0.0002404200000000 ] - [ 0.0096452700000000, -0.0001461700000000, -0.0007657700000000 ] - [ 0.0174965600000000, -0.0278686400000000, 0.0076694300000000 ] - [ 0.0002644400000000, -0.0036244100000000, -0.0002353800000000 ] - [ 0.0022720400000000, -0.0086059500000000, -0.0017792700000000 ] - [ 0.0002555400000000, -0.0036737000000000, 0.0000767600000000 ] - [ -0.0001311600000000, -0.0033112800000000, 0.0000386400000000 ] - [ 0.0020754400000000, 0.0010562600000000, 0.0005874200000000 ] - [ -0.0020033900000000, 0.0243945400000000, 0.0184363800000000 ] - [ 0.0024691000000000, 0.0068514400000000, 0.0000878200000000 ] - [ 0.0039772600000000, 0.0030052700000000, 0.0007052500000000 ] - [ -0.0057533000000000, -0.0515455600000000, 0.0096654700000000 ] - [ 0.0001520500000000, 0.0028558700000000, 0.0002267200000000 ] - [ 0.0006262100000000, 0.0017989500000000, -0.0000133000000000 ] - [ 0.0005879500000000, 0.0028404900000000, -0.0000639900000000 ] - [ -0.0022997600000000, 0.0033895600000000, -0.0002540700000000 ] - [ -0.0027763800000000, 0.0061260600000000, 0.0025080000000000 ] - [ -0.0020326600000000, 0.0018404100000000, -0.0001962600000000 ] - [ 0.0006357500000000, 0.0012750600000000, 0.0000809800000000 ] - [ -0.0017676200000000, -0.0050963000000000, 0.0018651300000000 ] - [ 0.0008305000000000, 0.0014475800000000, 0.0001259200000000 ] - [ -0.0006810000000000, 0.0027783500000000, -0.0005694600000000 ] - [ 0.0007113200000000, 0.0032667500000000, 0.0000429000000000 ] - [ -0.0007352500000000, 0.0029632700000000, 0.0003755700000000 ] - [ 0.0008790500000000, 0.0028092600000000, 0.0000477300000000 ] - [ -0.0014025300000000, 0.0022029900000000, 0.0000119600000000 ] - [ -0.0007600900000000, 0.0007528100000000, 0.0000889800000000 ] - [ -0.0003633000000000, 0.0016929800000000, 0.0000450200000000 ] - [ -0.0023630700000000, 0.0014609700000000, -0.0001608100000000 ] - [ -0.0002047600000000, 0.0025752400000000, 0.0003276600000000 ] - [ 0.0009570800000000, 0.0017068800000000, -0.0003088300000000 ] - [ 0.0014746500000000, -0.0039121800000000, 0.0003737500000000 ] - [ 0.0006999100000000, -0.0004544900000000, 0.0001935100000000 ] - [ 0.0020749500000000, 0.0040014700000000, 0.0002793400000000 ] - [ 0.0024888600000000, -0.0064804500000000, -0.0000712100000000 ] - [ -0.0045946900000000, -0.0082244400000000, -0.0023923900000000 ] - [ -0.0002369000000000, 0.0026238300000000, -0.0001878400000000 ] - [ 0.0016844300000000, 0.0026383500000000, -0.0000525500000000 ] - [ 0.0003899200000000, 0.0023157200000000, 0.0001249100000000 ] - [ -0.0035893900000000, 0.0030679200000000, 0.0003077200000000 ] - [ 0.0013581600000000, -0.0014805400000000, 0.0001150500000000 ] - [ -0.0001743900000000, -0.0020008500000000, 0.0005883100000000 ] - [ 0.0147493800000000, -0.0090192000000000, 0.0022278200000000 ] - [ -0.0027157100000000, -0.0038009900000000, -0.0004829000000000 ] - [ 0.0009354600000000, 0.0042339900000000, 0.0002320200000000 ] - [ 0.0542581000000000, -0.0444746300000000, 0.0066594500000000 ] - [ -0.0004325800000000, -0.0006033400000000, 0.0005543900000000 ] - [ -0.0006035000000000, 0.0022649400000000, 0.0004294900000000 ] - [ -0.0497577400000000, -0.0837991500000000, 0.0244354200000000 ] - [ -0.0000152500000000, 0.0019798100000000, 0.0001046600000000 ] - [ -0.0130779100000000, 0.0040311000000000, -0.0010196200000000 ] - [ 0.0009158800000000, 0.0041095000000000, -0.0001283800000000 ] - [ -0.0025770800000000, -0.0004771500000000, -0.0010429900000000 ] - [ 0.0087068800000000, -0.0007537400000000, 0.0015305500000000 ] - [ 0.0008588900000000, 0.0033511000000000, -0.0001467100000000 ] - [ -0.0004752900000000, 0.0026296100000000, -0.0000149400000000 ] - [ -0.0005656100000000, 0.0025329400000000, -0.0000901500000000 ] - [ -0.0006076300000000, 0.0032151600000000, -0.0002434000000000 ] - [ 0.0024017800000000, 0.0018695200000000, -0.0000687500000000 ] - [ 0.0134879200000000, -0.0840016900000000, -0.0165162000000000 ] - [ 0.0007147800000000, 0.0096228000000000, 0.0002072500000000 ] - [ 0.0002803500000000, 0.0029798100000000, 0.0000214300000000 ] - [ 0.0057085100000000, -0.0109617600000000, -0.0059403000000000 ] - [ 0.0009168900000000, 0.0025470300000000, 0.0000249100000000 ] - [ 0.0008164700000000, 0.0020557700000000, -0.0000878300000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0027693300000000, -0.0036157400000000, 0.0021451700000000 ] - [ -0.0000291800000000, -0.0001649300000000, -0.0000312400000000 ] - [ -0.0001855800000000, 0.0001889900000000, -0.0003087400000000 ] - [ 0.0001362500000000, -0.0001442100000000, -0.0001343400000000 ] - [ 0.0011141500000000, -0.0000665700000000, -0.0022050400000000 ] - [ -0.0000037000000000, 0.0000650800000000, -0.0000079400000000 ] - [ 0.0000049300000000, 0.0002514800000000, 0.0000266400000000 ] - [ -0.0014588900000000, 0.0022597100000000, 0.0129690500000000 ] - [ 0.0003982000000000, -0.0001461900000000, 0.0001492900000000 ] - [ 0.0009858200000000, 0.0018103800000000, -0.0023770200000000 ] - [ 0.0002958800000000, -0.0001871100000000, -0.0001327300000000 ] - [ -0.0001050500000000, -0.0000110200000000, 0.0003588000000000 ] - [ -0.0004309100000000, 0.0014658800000000, 0.0023349600000000 ] - [ -0.0002662300000000, 0.0001733100000000, -0.0003573200000000 ] - [ 0.0001121600000000, -0.0000779500000000, 0.0000763000000000 ] - [ 0.0001740100000000, -0.0000794200000000, -0.0000567000000000 ] - [ -0.0206705600000000, 0.0280133800000000, -0.2927663700000000 ] - [ -0.0001392900000000, 0.0003429500000000, -0.0001639200000000 ] - [ 0.0001354500000000, -0.0000205500000000, 0.0001178200000000 ] - [ 0.0015295800000000, 0.0003481200000000, -0.0015022100000000 ] - [ 0.0002748900000000, 0.0000420500000000, -0.0001028800000000 ] - [ -0.0002118700000000, 0.0002486900000000, -0.0000033800000000 ] - [ -0.0000854800000000, -0.0001726600000000, -0.0002820900000000 ] - [ -0.0003598400000000, -0.0008159300000000, -0.0013215000000000 ] - [ 0.0002592900000000, -0.0004224300000000, -0.0001437600000000 ] - [ -0.0004897800000000, 0.0013094900000000, 0.0042155700000000 ] - [ -0.0088764100000000, -0.0207284600000000, 0.0475340100000000 ] - [ -0.0002412900000000, -0.0000066400000000, 0.0002626600000000 ] - [ -0.0035243300000000, -0.0052273500000000, -0.0135230900000000 ] - [ -0.0044600500000000, 0.0034372800000000, -0.0005313000000000 ] - [ 0.0002790100000000, -0.0000089400000000, -0.0000385900000000 ] - [ 0.0002835500000000, -0.0001252500000000, 0.0001025200000000 ] - [ -0.0001768700000000, -0.0003213900000000, 0.0000497200000000 ] - [ -0.0007506500000000, -0.0001397800000000, -0.0000194400000000 ] - [ 0.0002214100000000, 0.0000818200000000, -0.0002365600000000 ] - [ 0.0002158600000000, -0.0000384100000000, 0.0006185900000000 ] - [ -0.0002911200000000, -0.0001168000000000, -0.0000696200000000 ] - [ -0.0001447700000000, -0.0003548400000000, -0.0000504900000000 ] - [ -0.0003763800000000, 0.0000192400000000, -0.0000721300000000 ] - [ 0.0001736000000000, -0.0002269600000000, 0.0001811800000000 ] - [ 0.0009583500000000, 0.0010477200000000, 0.0052446200000000 ] - [ -0.0056810700000000, 0.0044363600000000, -0.0118569300000000 ] - [ 0.0001371100000000, -0.0000379300000000, 0.0000162300000000 ] - [ -0.0000621100000000, -0.0014912600000000, 0.0038136500000000 ] - [ 0.0000756700000000, -0.0000458200000000, -0.0001968200000000 ] - [ -0.0000926700000000, -0.0003396700000000, -0.0000172800000000 ] - [ 0.0001211300000000, 0.0003473000000000, 0.0002957200000000 ] - [ 0.0106287000000000, 0.0168137900000000, 0.0438298000000000 ] - [ 0.0016082100000000, 0.0044236800000000, -0.0000604300000000 ] - [ -0.0031369300000000, -0.0075020600000000, 0.0007725600000000 ] - [ 0.0247267300000000, -0.0083445700000000, 0.1017978200000000 ] - [ 0.0001670200000000, 0.0001844500000000, 0.0002466700000000 ] - [ 0.0002419000000000, -0.0000347700000000, -0.0000406700000000 ] - [ -0.0000509500000000, 0.0001338000000000, -0.0000198400000000 ] - [ -0.0002279600000000, -0.0007476200000000, -0.0008091700000000 ] - [ -0.0002483700000000, 0.0085533600000000, 0.0013144800000000 ] - [ 0.0003818100000000, -0.0000909000000000, -0.0001485200000000 ] - [ -0.0000245300000000, -0.0000159600000000, 0.0000467500000000 ] - [ -0.0026227200000000, -0.0004651100000000, 0.0031997200000000 ] - [ -0.0000477600000000, 0.0001412800000000, 0.0000269200000000 ] - [ -0.0000058700000000, 0.0000140600000000, -0.0000990000000000 ] - [ 0.0001785200000000, -0.0000336700000000, 0.0000067000000000 ] - [ -0.0000359100000000, -0.0000322400000000, -0.0001041800000000 ] - [ 0.0000410500000000, -0.0000773600000000, 0.0000227200000000 ] - [ -0.0000281600000000, 0.0002863500000000, 0.0000963200000000 ] - [ -0.0000810800000000, -0.0002181500000000, 0.0002742800000000 ] - [ -0.0001867800000000, -0.0000929100000000, -0.0000211700000000 ] - [ -0.0003222600000000, 0.0001971500000000, 0.0001171900000000 ] - [ 0.0002739700000000, 0.0000243700000000, 0.0000643900000000 ] - [ 0.0003695100000000, -0.0003239500000000, -0.0002002200000000 ] - [ 0.0005113300000000, -0.0001812100000000, 0.0002324700000000 ] - [ 0.0002343200000000, 0.0006201100000000, 0.0000132000000000 ] - [ 0.0004641200000000, 0.0009785300000000, 0.0002487900000000 ] - [ -0.0000534300000000, -0.0006298200000000, -0.0001074400000000 ] - [ 0.0000811200000000, -0.0005089900000000, -0.0015432700000000 ] - [ 0.0002900100000000, 0.0001276000000000, -0.0000866500000000 ] - [ 0.0001000300000000, 0.0006882300000000, -0.0000178900000000 ] - [ 0.0001456000000000, 0.0001086500000000, 0.0000785800000000 ] - [ -0.0000387600000000, 0.0010279700000000, -0.0006201000000000 ] - [ -0.0015950000000000, -0.0008363900000000, 0.0003692100000000 ] - [ 0.0000023300000000, -0.0007882000000000, -0.0010642000000000 ] - [ 0.0070863700000000, 0.0037292500000000, -0.0043351500000000 ] - [ 0.0002989100000000, 0.0002793700000000, -0.0002281300000000 ] - [ -0.0001770800000000, -0.0006695200000000, 0.0002382800000000 ] - [ 0.0295652500000000, -0.0080526900000000, 0.0256021400000000 ] - [ -0.0001760800000000, -0.0003417500000000, 0.0003312700000000 ] - [ 0.0001711300000000, 0.0001074300000000, 0.0003201300000000 ] - [ -0.0303193800000000, -0.0322142500000000, 0.0454056400000000 ] - [ 0.0001377300000000, -0.0003009000000000, 0.0000832200000000 ] - [ 0.0036662200000000, -0.0010375700000000, 0.0011394800000000 ] - [ -0.0004664200000000, -0.0011327900000000, -0.0000890900000000 ] - [ 0.0005796500000000, 0.0002909400000000, 0.0005382800000000 ] - [ 0.0036872600000000, 0.0004542100000000, 0.0025456100000000 ] - [ 0.0002811600000000, 0.0000431200000000, -0.0001115500000000 ] - [ 0.0000575600000000, 0.0000997600000000, 0.0000666900000000 ] - [ 0.0002302000000000, 0.0002656400000000, -0.0000882600000000 ] - [ -0.0004139900000000, 0.0005962700000000, 0.0000534500000000 ] - [ -0.0002480400000000, 0.0002926100000000, 0.0003441400000000 ] - [ -0.0005811800000000, 0.0225142800000000, 0.0349817500000000 ] - [ 0.0004663400000000, -0.0051823600000000, 0.0001829700000000 ] - [ -0.0000506800000000, 0.0001438100000000, 0.0000218800000000 ] - [ -0.0069109600000000, -0.0040455800000000, -0.0066610400000000 ] - [ 0.0001313500000000, -0.0000188000000000, -0.0000475700000000 ] - [ -0.0002966500000000, 0.0000250400000000, -0.0001130200000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0027594900000000, 0.0034626500000000, -0.0021441100000000 ] - [ 0.0000292500000000, 0.0000362300000000, 0.0000112300000000 ] - [ 0.0003415600000000, -0.0000397300000000, 0.0000550900000000 ] - [ 0.0000228700000000, -0.0000022000000000, -0.0001176800000000 ] - [ -0.0010545100000000, 0.0002517700000000, 0.0021841500000000 ] - [ 0.0000030900000000, 0.0000637900000000, -0.0000119400000000 ] - [ -0.0001596900000000, -0.0001000400000000, -0.0002761900000000 ] - [ 0.0011754700000000, -0.0022025600000000, -0.0132129100000000 ] - [ 0.0000259900000000, 0.0002386300000000, -0.0003127700000000 ] - [ -0.0013970800000000, -0.0019019900000000, 0.0022007600000000 ] - [ -0.0000002900000000, 0.0002758200000000, 0.0003346700000000 ] - [ -0.0001933700000000, 0.0000986600000000, -0.0001474900000000 ] - [ 0.0001391800000000, -0.0015551000000000, -0.0021187400000000 ] - [ -0.0001610100000000, -0.0000818100000000, 0.0001843000000000 ] - [ 0.0001811400000000, -0.0000134700000000, 0.0001283300000000 ] - [ 0.0002474400000000, -0.0000151200000000, -0.0001095600000000 ] - [ 0.0162428200000000, -0.0274557300000000, 0.2837602300000000 ] - [ -0.0000054700000000, 0.0001072900000000, 0.0002357400000000 ] - [ 0.0000754800000000, 0.0000715100000000, -0.0000130600000000 ] - [ -0.0009189800000000, -0.0005990900000000, 0.0012857500000000 ] - [ 0.0003229500000000, 0.0002142500000000, -0.0001008300000000 ] - [ 0.0004264100000000, 0.0003031800000000, -0.0000466800000000 ] - [ -0.0001460800000000, 0.0001881800000000, 0.0001901400000000 ] - [ 0.0001470800000000, 0.0007644300000000, 0.0014144100000000 ] - [ -0.0001071700000000, 0.0008779700000000, 0.0002303500000000 ] - [ 0.0006216200000000, -0.0017309100000000, -0.0041017100000000 ] - [ 0.0094301700000000, 0.0201270600000000, -0.0474378600000000 ] - [ -0.0001525700000000, -0.0001949300000000, -0.0006364200000000 ] - [ 0.0030828600000000, 0.0049643000000000, 0.0136983600000000 ] - [ 0.0039962000000000, -0.0031922900000000, 0.0001567200000000 ] - [ 0.0003025500000000, 0.0001207000000000, -0.0000731100000000 ] - [ -0.0000709400000000, 0.0000744500000000, 0.0000026100000000 ] - [ 0.0004076200000000, 0.0003009100000000, -0.0001266300000000 ] - [ 0.0011352600000000, -0.0000640200000000, -0.0003590800000000 ] - [ 0.0001722700000000, 0.0001245000000000, -0.0001424300000000 ] - [ 0.0001736800000000, 0.0002504200000000, -0.0003115500000000 ] - [ -0.0002886200000000, 0.0000048200000000, -0.0000421400000000 ] - [ -0.0000002800000000, -0.0000935100000000, 0.0001239800000000 ] - [ -0.0002198800000000, -0.0002767100000000, -0.0001301700000000 ] - [ 0.0002148300000000, 0.0000145800000000, 0.0001214900000000 ] - [ -0.0012091300000000, -0.0009847100000000, -0.0051184100000000 ] - [ 0.0050556800000000, -0.0042622300000000, 0.0116310800000000 ] - [ 0.0000986900000000, 0.0000560000000000, -0.0000956300000000 ] - [ -0.0001478400000000, 0.0020270000000000, -0.0038255700000000 ] - [ -0.0003125800000000, 0.0000285500000000, 0.0001153700000000 ] - [ -0.0001185100000000, -0.0002128700000000, -0.0000322000000000 ] - [ -0.0004994800000000, -0.0001381600000000, 0.0000037100000000 ] - [ -0.0108985600000000, -0.0163922000000000, -0.0437687800000000 ] - [ -0.0020949500000000, -0.0041608500000000, -0.0001856600000000 ] - [ 0.0028075400000000, 0.0076185600000000, -0.0003154200000000 ] - [ -0.0230121000000000, 0.0076044600000000, -0.0934313500000000 ] - [ 0.0001211600000000, 0.0000174500000000, 0.0002320500000000 ] - [ 0.0002688600000000, -0.0000638000000000, -0.0000588000000000 ] - [ -0.0000646900000000, 0.0000347100000000, -0.0000299100000000 ] - [ 0.0001654000000000, 0.0004878700000000, 0.0008756700000000 ] - [ 0.0001318000000000, -0.0086335800000000, -0.0014076600000000 ] - [ 0.0000377700000000, 0.0000355800000000, 0.0001474900000000 ] - [ 0.0000925000000000, -0.0002333900000000, 0.0000263200000000 ] - [ 0.0022051600000000, 0.0005032400000000, -0.0031799800000000 ] - [ 0.0002457100000000, -0.0001940000000000, 0.0001411300000000 ] - [ 0.0001230800000000, -0.0000855200000000, -0.0001026300000000 ] - [ 0.0002392400000000, 0.0000864300000000, -0.0000063700000000 ] - [ -0.0000796900000000, 0.0001017600000000, -0.0000970700000000 ] - [ -0.0000045600000000, -0.0001789700000000, 0.0000474400000000 ] - [ -0.0001772900000000, 0.0004293700000000, 0.0000694500000000 ] - [ -0.0002929400000000, 0.0001420000000000, 0.0003573300000000 ] - [ -0.0004140800000000, -0.0000493200000000, -0.0001434900000000 ] - [ 0.0001174200000000, -0.0002391100000000, 0.0000519100000000 ] - [ 0.0002992000000000, -0.0000433900000000, 0.0000615800000000 ] - [ 0.0003801000000000, -0.0004039700000000, -0.0001734200000000 ] - [ -0.0006182000000000, 0.0001096800000000, -0.0004297900000000 ] - [ -0.0001941600000000, -0.0003578500000000, 0.0000565600000000 ] - [ -0.0000921900000000, -0.0010495500000000, 0.0003830100000000 ] - [ 0.0000160600000000, 0.0003750100000000, 0.0001771900000000 ] - [ -0.0006765900000000, 0.0004700200000000, 0.0016422400000000 ] - [ 0.0003098600000000, 0.0000148200000000, -0.0000778500000000 ] - [ -0.0008493000000000, 0.0000391000000000, -0.0003540100000000 ] - [ 0.0000544100000000, -0.0000538500000000, 0.0000898900000000 ] - [ 0.0007845900000000, -0.0002953100000000, 0.0002431700000000 ] - [ 0.0015121700000000, 0.0010797500000000, -0.0002975300000000 ] - [ -0.0005313100000000, 0.0005672700000000, 0.0007953400000000 ] - [ -0.0075184900000000, -0.0037869300000000, 0.0041968200000000 ] - [ -0.0001808100000000, -0.0002073700000000, 0.0000264200000000 ] - [ 0.0004615800000000, 0.0004603800000000, 0.0002402300000000 ] - [ -0.0292246700000000, 0.0070749100000000, -0.0254612700000000 ] - [ -0.0001151500000000, 0.0001371800000000, 0.0001478900000000 ] - [ 0.0001993000000000, -0.0000286500000000, 0.0003121400000000 ] - [ 0.0309159700000000, 0.0334700000000000, -0.0449051800000000 ] - [ 0.0000699700000000, -0.0004139700000000, 0.0000823800000000 ] - [ -0.0031320700000000, 0.0011277400000000, -0.0012269100000000 ] - [ 0.0000460300000000, 0.0010639300000000, 0.0000879500000000 ] - [ -0.0000024900000000, -0.0002712900000000, -0.0004084600000000 ] - [ -0.0038802800000000, -0.0004027600000000, -0.0023610000000000 ] - [ 0.0002201000000000, -0.0002734400000000, -0.0001382800000000 ] - [ 0.0000116800000000, 0.0001495800000000, 0.0000065300000000 ] - [ 0.0002709100000000, -0.0000340700000000, -0.0001611600000000 ] - [ -0.0001589400000000, -0.0005739100000000, 0.0000723600000000 ] - [ 0.0004518600000000, 0.0004185700000000, -0.0001756700000000 ] - [ 0.0009167200000000, -0.0234533500000000, -0.0351588600000000 ] - [ 0.0001337200000000, 0.0049859000000000, -0.0003432700000000 ] - [ 0.0000171300000000, 0.0001142200000000, 0.0000487100000000 ] - [ 0.0066703800000000, 0.0033083900000000, 0.0067461400000000 ] - [ -0.0000166700000000, -0.0001499300000000, -0.0000020500000000 ] - [ -0.0002163500000000, 0.0000719500000000, 0.0000128900000000 ]- atom: 18 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001934100000000, 0.0008361500000000, 0.0000306800000000 ] - [ 0.0023748900000000, -0.0057438200000000, -0.0000789200000000 ] - [ 0.0081961700000000, 0.0201050700000000, -0.0001383200000000 ] - [ 0.0267013200000000, -0.0029846500000000, -0.0003518100000000 ] - [ -0.0000194000000000, -0.0007616700000000, -0.0000069400000000 ] - [ 0.0009335200000000, 0.0033614800000000, -0.0000104400000000 ] - [ 0.0001550800000000, -0.0001066400000000, -0.0001269000000000 ] - [ -0.0001712000000000, 0.0000528900000000, -0.0001230200000000 ] - [ 0.0028248100000000, -0.0023297700000000, -0.0012642400000000 ] - [ -0.0001338200000000, 0.0000679000000000, -0.0000333700000000 ] - [ 0.0030627300000000, -0.0023015000000000, 0.0013610600000000 ] - [ -0.0003619000000000, 0.0005139900000000, 0.0001902000000000 ] - [ -0.0000756100000000, 0.0000797000000000, 0.0000502500000000 ] - [ -0.0005062600000000, 0.0004423400000000, -0.0001464000000000 ] - [ 0.0214625700000000, -0.0112655000000000, 0.0146760600000000 ] - [ 0.0231336200000000, -0.0116513600000000, -0.0153964400000000 ] - [ -0.0000901200000000, -0.0003274500000000, -0.0000924300000000 ] - [ -0.4659358700000000, 0.0251099500000000, 0.0026345200000000 ] - [ 0.0148209200000000, 0.0146456400000000, 0.0073847900000000 ] - [ -0.0003111200000000, -0.0091826100000000, -0.0013972400000000 ] - [ 0.0123626700000000, -0.0001416000000000, -0.0006276100000000 ] - [ 0.0009918300000000, 0.0006385000000000, -0.0000977800000000 ] - [ 0.0004018100000000, 0.0004174800000000, 0.0001933100000000 ] - [ 0.0000036200000000, -0.0005019300000000, -0.0000823800000000 ] - [ 0.0002978300000000, 0.0004244700000000, 0.0000067200000000 ] - [ -0.0005416100000000, -0.0004158100000000, 0.0001311400000000 ] - [ 0.0000927700000000, -0.0001128600000000, 0.0000731400000000 ] - [ -0.0006008400000000, -0.0021463500000000, -0.0001648900000000 ] - [ -0.0003261400000000, -0.0002056700000000, 0.0001656300000000 ] - [ 0.0000925500000000, 0.0000225500000000, -0.0001529200000000 ] - [ 0.0030199300000000, 0.0004840200000000, -0.0000560400000000 ] - [ 0.0009126300000000, 0.0035408100000000, -0.0001390300000000 ] - [ 0.0025043800000000, -0.0002736300000000, 0.0001829900000000 ] - [ 0.0004926000000000, 0.0023996600000000, 0.0000479500000000 ] - [ -0.0006603300000000, 0.0238144700000000, -0.0066851300000000 ] - [ 0.0001857800000000, -0.0234317600000000, -0.0020365500000000 ] - [ 0.0062584500000000, -0.0005772900000000, 0.0005597300000000 ] - [ 0.0058197100000000, 0.0026745000000000, -0.0001350200000000 ] - [ 0.0004170900000000, 0.0001725900000000, -0.0000203300000000 ] - [ 0.0130218300000000, 0.0026870300000000, -0.0007667000000000 ] - [ -0.0000228800000000, 0.0001253800000000, 0.0000554500000000 ] - [ -0.0023242300000000, -0.0001130400000000, -0.0006929400000000 ] - [ -0.0207790300000000, -0.0071963000000000, -0.0000046200000000 ] - [ -0.0061270700000000, -0.0003672500000000, 0.0005336800000000 ] - [ -0.0031265800000000, 0.0013995700000000, -0.0024981200000000 ] - [ 0.0110017500000000, -0.0011979900000000, -0.0002081800000000 ] - [ 0.0000112600000000, 0.0002767500000000, 0.0001800800000000 ] - [ -0.0005695600000000, 0.0001349300000000, -0.0000992300000000 ] - [ -0.0001098300000000, 0.0003376000000000, -0.0000776400000000 ] - [ 0.0000264200000000, 0.0001257200000000, 0.0002140400000000 ] - [ -0.0001443900000000, 0.0001367900000000, -0.0000846900000000 ] - [ -0.0064654400000000, -0.0018379000000000, -0.0016492400000000 ] - [ -0.0059266700000000, -0.0048378700000000, 0.0005632400000000 ] - [ -0.0036148600000000, -0.0005622000000000, 0.0003347200000000 ] - [ 0.0004743300000000, -0.0003180400000000, 0.0000168300000000 ] - [ 0.0011311600000000, 0.0001034400000000, -0.0000003700000000 ] - [ -0.0019277300000000, -0.0023275200000000, 0.0000900100000000 ] - [ -0.0052259800000000, 0.0005747100000000, 0.0001508400000000 ] - [ -0.0002896400000000, -0.0000489600000000, 0.0000067300000000 ] - [ -0.0027800100000000, 0.0056925100000000, 0.0021868100000000 ] - [ 0.0095329100000000, -0.0068604700000000, -0.0001658800000000 ] - [ 0.0517395800000000, 0.0273180100000000, 0.0280156300000000 ] - [ 0.0036891600000000, 0.0024235800000000, 0.0014883200000000 ] - [ 0.0043890700000000, 0.0136381200000000, 0.0001963900000000 ] - [ -0.0002628300000000, -0.0006642700000000, 0.0001069400000000 ] - [ -0.0005109900000000, -0.0000971300000000, 0.0004093400000000 ] - [ -0.0011228100000000, -0.0001535300000000, -0.0000613800000000 ] - [ -0.0001830700000000, -0.0002943400000000, 0.0000829700000000 ] - [ 0.0082765800000000, -0.0087088400000000, -0.0027173600000000 ] - [ -0.0117450300000000, -0.0037657000000000, -0.0005612500000000 ] - [ -0.0006801600000000, 0.0000090200000000, -0.0003203800000000 ] - [ -0.0022520100000000, 0.0020972300000000, -0.0000445800000000 ] - [ 0.0061419700000000, 0.0046295700000000, -0.0019552700000000 ] - [ -0.0001711000000000, -0.0003285800000000, -0.0000085900000000 ] - [ -0.0005937700000000, -0.0000749000000000, 0.0000475600000000 ] - [ -0.0069897700000000, 0.0019374700000000, 0.0017511600000000 ] - [ -0.0008941200000000, 0.0007214000000000, -0.0001726800000000 ] - [ -0.0143094900000000, -0.0021539100000000, 0.0005244400000000 ] - [ 0.0030595900000000, -0.0029693900000000, -0.0013593500000000 ] - [ -0.0002569800000000, 0.0000271400000000, 0.0000456100000000 ] - [ -0.0003313900000000, -0.0002575200000000, -0.0001724200000000 ] - [ -0.0001464900000000, 0.0001166800000000, -0.0000485600000000 ] - [ -0.0009231900000000, -0.0007336300000000, 0.0000436900000000 ] - [ 0.0303385500000000, -0.0068693400000000, 0.0125325100000000 ] - [ -0.0003286600000000, -0.0003304600000000, -0.0001725000000000 ] - [ -0.0003612100000000, -0.0003246500000000, 0.0002194900000000 ] - [ -0.0087285600000000, 0.0024780900000000, -0.0002016100000000 ] - [ -0.0000216000000000, 0.0001294400000000, 0.0003013500000000 ] - [ -0.0169702400000000, 0.0050146100000000, 0.0005060400000000 ] - [ 0.0014576900000000, -0.0009517400000000, -0.0000040100000000 ] - [ -0.0000586900000000, 0.0005042100000000, 0.0000484500000000 ] - [ -0.0008131700000000, -0.0014984200000000, 0.0001333900000000 ] - [ -0.0000693700000000, 0.0000121900000000, 0.0000696800000000 ] - [ 0.0504498900000000, 0.0017235200000000, -0.0505877200000000 ] - [ 0.2664487600000000, -0.0470556100000000, 0.0147464900000000 ] - [ -0.0031316000000000, -0.0033102600000000, 0.0010485100000000 ] - [ 0.0010781500000000, 0.0002804100000000, 0.0000911000000000 ] - [ -0.0000519500000000, 0.0021841600000000, -0.0005424000000000 ] - [ 0.0003469100000000, 0.0004774200000000, 0.0000892400000000 ] - [ 0.0043058000000000, 0.0038896500000000, 0.0000776900000000 ] - [ 0.0008034800000000, -0.0005648900000000, 0.0004938400000000 ] - [ -0.0000195700000000, -0.0006454200000000, 0.0000703400000000 ] - [ -0.0019931400000000, -0.0005669900000000, -0.0004232200000000 ] - [ -0.0019616300000000, 0.0014384200000000, -0.0001957500000000 ]- atom: 18 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001898700000000, -0.0009654400000000, -0.0000507000000000 ] - [ -0.0023704000000000, 0.0056072200000000, 0.0000617100000000 ] - [ -0.0079573600000000, -0.0198422400000000, -0.0000990100000000 ] - [ -0.0269241000000000, 0.0028600600000000, 0.0001021100000000 ] - [ 0.0000235000000000, 0.0008856400000000, -0.0000122000000000 ] - [ -0.0009285000000000, -0.0032235100000000, -0.0000067700000000 ] - [ -0.0003132300000000, 0.0002503200000000, -0.0001241700000000 ] - [ 0.0000128800000000, -0.0002019600000000, -0.0001272000000000 ] - [ -0.0023883000000000, 0.0024332300000000, 0.0010960400000000 ] - [ -0.0002879900000000, -0.0001637900000000, -0.0001340800000000 ] - [ -0.0027570500000000, 0.0024039200000000, -0.0011559000000000 ] - [ 0.0000675800000000, -0.0004239900000000, 0.0000154400000000 ] - [ -0.0002179300000000, -0.0001721100000000, 0.0001555300000000 ] - [ 0.0000834400000000, -0.0003488100000000, -0.0000207800000000 ] - [ -0.0209869100000000, 0.0111337900000000, -0.0144776500000000 ] - [ -0.0225153100000000, 0.0114863500000000, 0.0152291300000000 ] - [ 0.0002981200000000, -0.0002286900000000, 0.0000423300000000 ] - [ 0.4506888500000000, -0.0189292200000000, -0.0038861000000000 ] - [ -0.0145447200000000, -0.0146716500000000, -0.0072387800000000 ] - [ 0.0009319700000000, 0.0088657000000000, 0.0011746200000000 ] - [ -0.0117550800000000, 0.0003797900000000, 0.0004227400000000 ] - [ -0.0007820200000000, -0.0000891500000000, 0.0000477000000000 ] - [ -0.0006379400000000, -0.0003982800000000, -0.0002729600000000 ] - [ -0.0002105000000000, 0.0004481500000000, 0.0001860900000000 ] - [ -0.0001537900000000, 0.0000214800000000, 0.0000669900000000 ] - [ 0.0006840400000000, -0.0000359100000000, -0.0000573200000000 ] - [ 0.0004881200000000, -0.0000054900000000, -0.0001849200000000 ] - [ 0.0002101300000000, 0.0019349100000000, -0.0002120800000000 ] - [ -0.0000625900000000, -0.0000097500000000, 0.0001369400000000 ] - [ -0.0004796100000000, 0.0001806900000000, -0.0002257400000000 ] - [ -0.0024386600000000, -0.0003744000000000, -0.0000554200000000 ] - [ -0.0007122400000000, -0.0035769600000000, 0.0002416400000000 ] - [ -0.0022624100000000, 0.0002570100000000, -0.0002629300000000 ] - [ -0.0001091100000000, -0.0025935300000000, -0.0004248400000000 ] - [ 0.0010806000000000, -0.0236036200000000, 0.0062913800000000 ] - [ 0.0003161100000000, 0.0236192200000000, 0.0023748700000000 ] - [ -0.0068228600000000, 0.0004544800000000, -0.0006699000000000 ] - [ -0.0059593600000000, -0.0031087900000000, 0.0002092500000000 ] - [ -0.0010131400000000, -0.0004306900000000, -0.0001830400000000 ] - [ -0.0125924300000000, -0.0028812000000000, 0.0010619800000000 ] - [ -0.0001817000000000, -0.0000768900000000, 0.0000485800000000 ] - [ 0.0017380900000000, 0.0002137600000000, 0.0005781700000000 ] - [ 0.0209400800000000, 0.0071913500000000, -0.0000943600000000 ] - [ 0.0058783600000000, 0.0009049200000000, -0.0005767000000000 ] - [ 0.0028888200000000, -0.0014179200000000, 0.0024197100000000 ] - [ -0.0112083600000000, 0.0006317300000000, 0.0001591300000000 ] - [ -0.0003982900000000, -0.0000663300000000, 0.0001224500000000 ] - [ -0.0000301700000000, 0.0001178700000000, -0.0001046100000000 ] - [ -0.0003886400000000, -0.0001042000000000, -0.0001715700000000 ] - [ -0.0003127100000000, 0.0000791000000000, 0.0002643100000000 ] - [ -0.0004569400000000, 0.0000085500000000, -0.0000809600000000 ] - [ 0.0067456300000000, 0.0020332400000000, 0.0021228700000000 ] - [ 0.0064085700000000, 0.0047264200000000, -0.0006455600000000 ] - [ 0.0034954900000000, 0.0007387000000000, -0.0003823200000000 ] - [ -0.0005485100000000, 0.0000702200000000, 0.0000562400000000 ] - [ -0.0012406700000000, -0.0002635500000000, -0.0000504500000000 ] - [ 0.0023437300000000, 0.0022634300000000, -0.0000893900000000 ] - [ 0.0052925600000000, -0.0008409400000000, -0.0000782400000000 ] - [ -0.0001266400000000, 0.0001025500000000, -0.0000077600000000 ] - [ 0.0029324300000000, -0.0057556700000000, -0.0020275400000000 ] - [ -0.0093946900000000, 0.0067942000000000, -0.0000422200000000 ] - [ -0.0522955300000000, -0.0290705500000000, -0.0292345300000000 ] - [ -0.0037934000000000, -0.0023403000000000, -0.0016810400000000 ] - [ -0.0043388300000000, -0.0138395100000000, -0.0001187600000000 ] - [ 0.0000609900000000, 0.0013819400000000, 0.0000595800000000 ] - [ 0.0001388900000000, 0.0000221000000000, 0.0002239800000000 ] - [ 0.0005186100000000, 0.0000145200000000, -0.0001041000000000 ] - [ -0.0000086700000000, 0.0002424700000000, 0.0000858700000000 ] - [ -0.0076947700000000, 0.0086576600000000, 0.0028503700000000 ] - [ 0.0124749300000000, 0.0030624200000000, 0.0001671100000000 ] - [ 0.0005628000000000, -0.0000824200000000, 0.0001195400000000 ] - [ 0.0022897400000000, -0.0018433700000000, 0.0001169400000000 ] - [ -0.0057432900000000, -0.0046756900000000, 0.0025754500000000 ] - [ 0.0001273100000000, 0.0000738100000000, 0.0000796600000000 ] - [ 0.0000209400000000, 0.0000571100000000, 0.0000783100000000 ] - [ 0.0075996000000000, -0.0017842200000000, -0.0019233700000000 ] - [ 0.0001459300000000, 0.0000080000000000, -0.0002020300000000 ] - [ 0.0144388200000000, 0.0022028200000000, -0.0003420200000000 ] - [ -0.0022923300000000, 0.0036837200000000, 0.0009811300000000 ] - [ 0.0001818500000000, 0.0002238200000000, 0.0000275700000000 ] - [ -0.0001681500000000, 0.0000289100000000, -0.0000768600000000 ] - [ -0.0003679800000000, -0.0002170300000000, -0.0000507800000000 ] - [ 0.0010379600000000, 0.0008035400000000, -0.0002447200000000 ] - [ -0.0298295900000000, 0.0061637300000000, -0.0117671100000000 ] - [ -0.0004209100000000, -0.0003949600000000, -0.0002021100000000 ] - [ 0.0000739100000000, 0.0001250800000000, 0.0002586600000000 ] - [ 0.0090899900000000, -0.0023909300000000, 0.0008365600000000 ] - [ -0.0003475800000000, -0.0000491700000000, 0.0003317700000000 ] - [ 0.0172217500000000, -0.0057858700000000, -0.0003385500000000 ] - [ -0.0009335900000000, 0.0010544200000000, -0.0000947600000000 ] - [ -0.0003563600000000, -0.0005525500000000, -0.0000493800000000 ] - [ 0.0013848000000000, 0.0015108700000000, -0.0000068300000000 ] - [ -0.0001227000000000, 0.0000432500000000, 0.0000992100000000 ] - [ -0.0499647900000000, -0.0018903600000000, 0.0514708200000000 ] - [ -0.2507714400000000, 0.0439265700000000, -0.0136002200000000 ] - [ 0.0036254200000000, 0.0035247000000000, -0.0012939800000000 ] - [ -0.0016488900000000, -0.0002609600000000, 0.0000338600000000 ] - [ 0.0002197000000000, -0.0014528700000000, 0.0007206800000000 ] - [ -0.0002331900000000, -0.0003005700000000, -0.0001392100000000 ] - [ -0.0036756100000000, -0.0039951800000000, -0.0002411600000000 ] - [ -0.0008442900000000, 0.0008231800000000, -0.0004234200000000 ] - [ -0.0001817800000000, -0.0000714000000000, 0.0000959600000000 ] - [ 0.0021048400000000, 0.0004000200000000, 0.0003716500000000 ] - [ 0.0014467800000000, -0.0013300900000000, 0.0000964700000000 ]- atom: 18 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008691300000000, 0.0024326400000000, 0.0000948400000000 ] - [ -0.0012315400000000, 0.0005961000000000, 0.0000144500000000 ] - [ 0.0170686300000000, -0.0014877900000000, 0.0004569200000000 ] - [ -0.0017047500000000, -0.0146867200000000, -0.0010444900000000 ] - [ -0.0011598800000000, 0.0045024200000000, -0.0002274600000000 ] - [ 0.0020837400000000, 0.0037886100000000, 0.0000573800000000 ] - [ -0.0002359000000000, 0.0029436900000000, -0.0000841100000000 ] - [ -0.0000227500000000, 0.0033441500000000, -0.0001750000000000 ] - [ -0.0066620700000000, 0.0008194000000000, -0.0006976500000000 ] - [ -0.0003171700000000, 0.0019891700000000, 0.0000904800000000 ] - [ -0.0055737600000000, -0.0000028000000000, 0.0010500900000000 ] - [ 0.0003558200000000, 0.0028415100000000, 0.0006246000000000 ] - [ -0.0002512900000000, 0.0019720100000000, -0.0000431500000000 ] - [ 0.0002485400000000, 0.0027765400000000, -0.0006044000000000 ] - [ -0.0074867600000000, -0.0010349900000000, -0.0020154500000000 ] - [ -0.0080437500000000, -0.0011738300000000, 0.0020369300000000 ] - [ 0.0000516600000000, 0.0040512400000000, 0.0000927000000000 ] - [ 0.0239030100000000, -0.2982736500000000, 0.0096233300000000 ] - [ 0.0099745800000000, -0.0184813500000000, 0.0164474200000000 ] - [ -0.0047217700000000, 0.0365598500000000, 0.0065456300000000 ] - [ -0.0008089400000000, -0.0050157900000000, 0.0004797200000000 ] - [ -0.0000714500000000, 0.0029919000000000, 0.0001053600000000 ] - [ -0.0006764300000000, 0.0025189800000000, -0.0000685900000000 ] - [ -0.0004845700000000, 0.0037669600000000, -0.0000423900000000 ] - [ -0.0001301700000000, 0.0041401900000000, -0.0000583800000000 ] - [ -0.0001175200000000, 0.0040236300000000, 0.0001804000000000 ] - [ -0.0009785900000000, 0.0047023800000000, -0.0002061100000000 ] - [ -0.0022390600000000, 0.0033955600000000, -0.0003660000000000 ] - [ 0.0001052600000000, 0.0036786200000000, 0.0000834900000000 ] - [ -0.0013893500000000, 0.0034748600000000, -0.0002879700000000 ] - [ 0.0000700000000000, 0.0018327100000000, 0.0002636900000000 ] - [ 0.0043298000000000, -0.0036830700000000, -0.0001522500000000 ] - [ -0.0015830800000000, 0.0024895700000000, -0.0002918200000000 ] - [ 0.0020677300000000, -0.0008858900000000, -0.0006145700000000 ] - [ 0.0127909200000000, 0.0306109000000000, -0.0016794000000000 ] - [ -0.0212867200000000, -0.0097775000000000, -0.0210873900000000 ] - [ 0.0059603300000000, -0.0003382200000000, 0.0003478600000000 ] - [ -0.0029653300000000, -0.0066828000000000, -0.0005674600000000 ] - [ 0.0004340200000000, 0.0032062300000000, 0.0000758500000000 ] - [ -0.0015049500000000, -0.0068008800000000, 0.0002395400000000 ] - [ -0.0009125500000000, 0.0035831900000000, 0.0000288900000000 ] - [ 0.0031576000000000, 0.0063839900000000, 0.0009613900000000 ] - [ -0.0085142300000000, 0.0055391600000000, 0.0006922000000000 ] - [ 0.0107183400000000, 0.0090293600000000, -0.0015376000000000 ] - [ -0.0017952200000000, 0.0065757600000000, -0.0015030500000000 ] - [ 0.0052079600000000, -0.0015774500000000, -0.0006768700000000 ] - [ 0.0000792700000000, 0.0036644300000000, 0.0003646200000000 ] - [ 0.0004096700000000, 0.0039336100000000, -0.0002282200000000 ] - [ -0.0004166500000000, -0.0034830800000000, 0.0000293400000000 ] - [ -0.0000838100000000, -0.0036261700000000, 0.0001617000000000 ] - [ -0.0010513200000000, -0.0035582700000000, 0.0000568600000000 ] - [ 0.0014135600000000, 0.0063221700000000, 0.0007088700000000 ] - [ -0.0069198800000000, -0.0045478500000000, 0.0002890600000000 ] - [ -0.0019056800000000, -0.0001114000000000, 0.0008057500000000 ] - [ 0.0004850000000000, -0.0029021200000000, 0.0000207300000000 ] - [ -0.0011309000000000, -0.0050740700000000, 0.0002046900000000 ] - [ -0.0008002200000000, 0.0023341200000000, -0.0004047000000000 ] - [ 0.0052718900000000, 0.0045608100000000, 0.0006807700000000 ] - [ 0.0005008400000000, -0.0031319500000000, -0.0000852300000000 ] - [ 0.0101546800000000, 0.0035581000000000, 0.0071353300000000 ] - [ 0.0034363400000000, -0.0079539100000000, -0.0000303500000000 ] - [ 0.0314822400000000, 0.0766699600000000, 0.0214612000000000 ] - [ 0.0027263800000000, -0.0034597700000000, -0.0001565300000000 ] - [ 0.0057761300000000, 0.0014208900000000, -0.0002992100000000 ] - [ -0.0005815600000000, -0.0026089100000000, 0.0000723200000000 ] - [ 0.0003761900000000, -0.0023717300000000, 0.0004478200000000 ] - [ 0.0000730000000000, -0.0022883700000000, -0.0001781800000000 ] - [ -0.0010875400000000, -0.0029062400000000, 0.0000899700000000 ] - [ -0.0018708100000000, -0.0044467200000000, 0.0025297900000000 ] - [ -0.0071957200000000, 0.0039660500000000, -0.0065522100000000 ] - [ 0.0001938400000000, -0.0021302500000000, 0.0003246600000000 ] - [ 0.0029295500000000, -0.0018242300000000, 0.0000090800000000 ] - [ -0.0017302000000000, -0.0090424400000000, 0.0006460600000000 ] - [ 0.0008056600000000, -0.0026845000000000, 0.0000881900000000 ] - [ 0.0000178300000000, -0.0024292600000000, -0.0002255500000000 ] - [ -0.0020319800000000, 0.0026444700000000, 0.0001346600000000 ] - [ -0.0003569300000000, -0.0015881900000000, -0.0003134200000000 ] - [ 0.0032806600000000, 0.0056732000000000, 0.0002498000000000 ] - [ -0.0066653000000000, 0.0009943900000000, 0.0003507300000000 ] - [ -0.0003967400000000, -0.0021599700000000, 0.0000678700000000 ] - [ 0.0000372400000000, -0.0035451400000000, -0.0002668700000000 ] - [ 0.0010731400000000, -0.0025287100000000, -0.0000652800000000 ] - [ 0.0000353800000000, -0.0012040700000000, -0.0004917300000000 ] - [ -0.0111998000000000, 0.1140945200000000, -0.0384168300000000 ] - [ 0.0005256900000000, -0.0030974500000000, -0.0000258700000000 ] - [ -0.0004555400000000, -0.0035061600000000, 0.0002966500000000 ] - [ -0.0017684600000000, 0.0041269800000000, 0.0004478900000000 ] - [ -0.0013442000000000, -0.0030840000000000, 0.0002279800000000 ] - [ 0.0012380900000000, 0.0008134700000000, -0.0000393000000000 ] - [ -0.0027793700000000, -0.0010585200000000, -0.0000188200000000 ] - [ -0.0002073900000000, -0.0033797400000000, 0.0000118000000000 ] - [ -0.0003769900000000, 0.0001729600000000, 0.0001578600000000 ] - [ 0.0004552600000000, -0.0023598500000000, 0.0000785000000000 ] - [ 0.0031164000000000, 0.0519841000000000, 0.0070598400000000 ] - [ -0.0439086800000000, 0.0415574000000000, -0.0021042800000000 ] - [ 0.0000774700000000, 0.0055035600000000, -0.0009656700000000 ] - [ 0.0016022800000000, -0.0032528200000000, 0.0003374500000000 ] - [ 0.0094670800000000, -0.0076738400000000, -0.0011543100000000 ] - [ 0.0005966100000000, -0.0048767300000000, -0.0001482500000000 ] - [ -0.0056130700000000, -0.0108449400000000, -0.0001632500000000 ] - [ -0.0012200500000000, -0.0042017300000000, 0.0004262400000000 ] - [ -0.0003490500000000, -0.0027410100000000, 0.0000724700000000 ] - [ -0.0011676800000000, -0.0018109800000000, -0.0001951500000000 ] - [ 0.0004506800000000, -0.0011586500000000, -0.0000789800000000 ]- atom: 18 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008669700000000, -0.0025643800000000, -0.0001146600000000 ] - [ 0.0012394700000000, -0.0007122700000000, -0.0000341400000000 ] - [ -0.0167896900000000, 0.0016449900000000, -0.0007104500000000 ] - [ 0.0019707100000000, 0.0145269800000000, 0.0007967000000000 ] - [ 0.0011574800000000, -0.0043734600000000, 0.0002072800000000 ] - [ -0.0021021900000000, -0.0036551900000000, -0.0000729000000000 ] - [ 0.0000781100000000, -0.0027965300000000, -0.0001673800000000 ] - [ -0.0001366800000000, -0.0034923700000000, -0.0000755200000000 ] - [ 0.0070742600000000, -0.0007315100000000, 0.0005251200000000 ] - [ -0.0001036900000000, -0.0020849400000000, -0.0002580700000000 ] - [ 0.0058583300000000, 0.0000873200000000, -0.0008368800000000 ] - [ -0.0006519600000000, -0.0027540900000000, -0.0004205600000000 ] - [ -0.0000413600000000, -0.0020645400000000, 0.0002490900000000 ] - [ -0.0006727000000000, -0.0026857600000000, 0.0004387100000000 ] - [ 0.0077870200000000, 0.0010045800000000, 0.0022432300000000 ] - [ 0.0084753300000000, 0.0011482500000000, -0.0022277700000000 ] - [ 0.0001554300000000, -0.0046021700000000, -0.0001427000000000 ] - [ -0.0200609900000000, 0.2938450500000000, -0.0026652500000000 ] - [ -0.0098550000000000, 0.0186879300000000, -0.0162859000000000 ] - [ 0.0052498800000000, -0.0365264500000000, -0.0068796300000000 ] - [ 0.0014015700000000, 0.0052750300000000, -0.0006789300000000 ] - [ 0.0002823100000000, -0.0024334200000000, -0.0001557200000000 ] - [ 0.0004384500000000, -0.0025054200000000, -0.0000118600000000 ] - [ 0.0002827400000000, -0.0038196000000000, 0.0001467800000000 ] - [ 0.0002739300000000, -0.0036927600000000, 0.0001319600000000 ] - [ 0.0002634900000000, -0.0044735100000000, -0.0001066200000000 ] - [ 0.0015526100000000, -0.0048109900000000, 0.0000959600000000 ] - [ 0.0018647900000000, -0.0036017800000000, -0.0000090700000000 ] - [ -0.0004920100000000, -0.0038914800000000, 0.0002190500000000 ] - [ 0.0009941600000000, -0.0032712500000000, -0.0000914600000000 ] - [ 0.0005134500000000, -0.0017092800000000, -0.0003779400000000 ] - [ -0.0041098900000000, 0.0036160100000000, 0.0002565400000000 ] - [ 0.0018179400000000, -0.0025120100000000, 0.0002125000000000 ] - [ -0.0016724800000000, 0.0006717900000000, 0.0002354200000000 ] - [ -0.0126310000000000, -0.0306217800000000, 0.0011792800000000 ] - [ 0.0216113200000000, 0.0099047600000000, 0.0214153500000000 ] - [ -0.0065485900000000, 0.0002421100000000, -0.0004551400000000 ] - [ 0.0028166900000000, 0.0062172100000000, 0.0006408500000000 ] - [ -0.0010396100000000, -0.0034617000000000, -0.0002800900000000 ] - [ 0.0018801800000000, 0.0065750000000000, 0.0000646600000000 ] - [ 0.0007034600000000, -0.0035338200000000, 0.0000752100000000 ] - [ -0.0037204200000000, -0.0062665700000000, -0.0010763000000000 ] - [ 0.0088481800000000, -0.0055341500000000, -0.0007458600000000 ] - [ -0.0108777400000000, -0.0084509500000000, 0.0015031300000000 ] - [ 0.0015717500000000, -0.0066206600000000, 0.0014280100000000 ] - [ -0.0054054900000000, 0.0010405000000000, 0.0006239200000000 ] - [ -0.0004710000000000, -0.0034525900000000, -0.0000626400000000 ] - [ -0.0010060200000000, -0.0036780200000000, 0.0000246900000000 ] - [ -0.0000850100000000, 0.0037149100000000, -0.0002794300000000 ] - [ -0.0002043700000000, 0.0038294200000000, 0.0003169300000000 ] - [ 0.0004503500000000, 0.0036989900000000, -0.0002220200000000 ] - [ -0.0011233600000000, -0.0061114600000000, -0.0002276700000000 ] - [ 0.0074412800000000, 0.0044183800000000, -0.0003637200000000 ] - [ 0.0017869400000000, 0.0002634300000000, -0.0008560600000000 ] - [ -0.0005574800000000, 0.0026545100000000, 0.0000524700000000 ] - [ 0.0010088700000000, 0.0048959400000000, -0.0002527800000000 ] - [ 0.0012146900000000, -0.0023753800000000, 0.0004013700000000 ] - [ -0.0051919800000000, -0.0047974200000000, -0.0006056700000000 ] - [ -0.0009165200000000, 0.0031856100000000, 0.0000842600000000 ] - [ -0.0099683600000000, -0.0035862800000000, -0.0069271900000000 ] - [ -0.0033263900000000, 0.0079054100000000, -0.0001744200000000 ] - [ -0.0334227400000000, -0.0790622800000000, -0.0235788400000000 ] - [ -0.0028653400000000, 0.0035405300000000, -0.0000495700000000 ] - [ -0.0057672500000000, -0.0017293400000000, 0.0003716300000000 ] - [ 0.0003809100000000, 0.0033299900000000, 0.0000939500000000 ] - [ -0.0007447900000000, 0.0022914200000000, 0.0001849400000000 ] - [ -0.0006724500000000, 0.0021405600000000, 0.0000131600000000 ] - [ 0.0008948700000000, 0.0028546200000000, 0.0000786900000000 ] - [ 0.0025135300000000, 0.0044677100000000, -0.0025239600000000 ] - [ 0.0078975900000000, -0.0047335500000000, 0.0061610000000000 ] - [ -0.0003083500000000, 0.0020615200000000, -0.0005262900000000 ] - [ -0.0028900700000000, 0.0020869500000000, 0.0000631600000000 ] - [ 0.0021183100000000, 0.0089332400000000, -0.0001101300000000 ] - [ -0.0008453100000000, 0.0024306700000000, -0.0000170700000000 ] - [ -0.0005878100000000, 0.0024120100000000, 0.0003512700000000 ] - [ 0.0026341500000000, -0.0025143300000000, -0.0002978600000000 ] - [ -0.0003959500000000, 0.0023131900000000, -0.0000603400000000 ] - [ -0.0030601000000000, -0.0056167700000000, -0.0000862300000000 ] - [ 0.0073890500000000, -0.0002606300000000, -0.0007231700000000 ] - [ 0.0003250900000000, 0.0024108700000000, 0.0000053700000000 ] - [ -0.0005363300000000, 0.0033150300000000, 0.0000178000000000 ] - [ -0.0015814300000000, 0.0024276900000000, -0.0000340500000000 ] - [ 0.0000820300000000, 0.0012805400000000, 0.0002910700000000 ] - [ 0.0105376100000000, -0.1078077800000000, 0.0351433700000000 ] - [ -0.0012731400000000, 0.0023700000000000, -0.0003476300000000 ] - [ 0.0001699300000000, 0.0033043100000000, 0.0001814300000000 ] - [ 0.0021379200000000, -0.0040497700000000, 0.0001861800000000 ] - [ 0.0009728700000000, 0.0031626800000000, 0.0004049300000000 ] - [ -0.0010162600000000, -0.0015704600000000, 0.0002064900000000 ] - [ 0.0032863600000000, 0.0011638800000000, -0.0000785000000000 ] - [ -0.0002132600000000, 0.0033289000000000, -0.0000122300000000 ] - [ 0.0009469800000000, -0.0001487200000000, -0.0000324700000000 ] - [ -0.0006524400000000, 0.0024154000000000, 0.0000902500000000 ] - [ -0.0023206500000000, -0.0522973100000000, -0.0079462200000000 ] - [ 0.0430697800000000, -0.0405735800000000, 0.0020608100000000 ] - [ 0.0004231500000000, -0.0052578300000000, 0.0007156400000000 ] - [ -0.0021843100000000, 0.0032749000000000, -0.0002115000000000 ] - [ -0.0092503000000000, 0.0083785400000000, 0.0013390700000000 ] - [ -0.0004829900000000, 0.0050454100000000, 0.0000977200000000 ] - [ 0.0062190400000000, 0.0107051700000000, 0.0000024600000000 ] - [ 0.0011840100000000, 0.0044675200000000, -0.0003568400000000 ] - [ 0.0001433200000000, 0.0020254000000000, 0.0000935900000000 ] - [ 0.0012815700000000, 0.0016320800000000, 0.0001429300000000 ] - [ -0.0009730400000000, 0.0012534400000000, -0.0000200600000000 ]- atom: 18 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000931600000000, -0.0000279100000000, 0.0000317600000000 ] - [ -0.0000286200000000, -0.0007516400000000, -0.0001003700000000 ] - [ -0.0012435900000000, 0.0014843400000000, -0.0033392600000000 ] - [ -0.0007386000000000, -0.0010471100000000, -0.0057599700000000 ] - [ 0.0002606200000000, -0.0003909000000000, 0.0000158600000000 ] - [ -0.0001824600000000, -0.0005174600000000, 0.0004464500000000 ] - [ -0.0000658500000000, -0.0000397000000000, -0.0001175500000000 ] - [ -0.0000782300000000, -0.0001672200000000, -0.0001141900000000 ] - [ 0.0015306900000000, 0.0012056900000000, 0.0022176900000000 ] - [ -0.0002250400000000, -0.0000744400000000, -0.0000748600000000 ] - [ 0.0002296400000000, 0.0025775100000000, -0.0025773500000000 ] - [ -0.0001414300000000, 0.0001089500000000, 0.0001867800000000 ] - [ -0.0001615700000000, -0.0000712500000000, 0.0000927300000000 ] - [ -0.0002076900000000, 0.0000293700000000, -0.0001524100000000 ] - [ 0.0073454600000000, -0.0019659400000000, 0.0028654400000000 ] - [ -0.0057295700000000, 0.0014042000000000, 0.0000082200000000 ] - [ 0.0000962300000000, -0.0005580000000000, -0.0002253000000000 ] - [ 0.0068285500000000, 0.0056424500000000, -0.2903245300000000 ] - [ -0.0074559200000000, -0.0230010700000000, 0.0438681100000000 ] - [ -0.0002947300000000, -0.0079329300000000, -0.0148183900000000 ] - [ 0.0007512900000000, 0.0004047700000000, -0.0005366500000000 ] - [ 0.0002106600000000, 0.0002235700000000, -0.0001122700000000 ] - [ -0.0000364100000000, 0.0001133100000000, -0.0000665500000000 ] - [ -0.0001517000000000, -0.0000975600000000, -0.0000969200000000 ] - [ 0.0001024500000000, 0.0001287900000000, 0.0000558600000000 ] - [ -0.0000222400000000, -0.0003678500000000, 0.0000905100000000 ] - [ 0.0001620600000000, -0.0000865000000000, 0.0003759400000000 ] - [ -0.0002418400000000, -0.0005151000000000, 0.0001760700000000 ] - [ -0.0002621400000000, -0.0002315400000000, 0.0001120400000000 ] - [ 0.0000336600000000, 0.0001068600000000, -0.0001544300000000 ] - [ 0.0003144500000000, -0.0003895700000000, 0.0003820900000000 ] - [ -0.0002552300000000, 0.0004784300000000, 0.0000147900000000 ] - [ 0.0000503900000000, 0.0001997900000000, -0.0000507900000000 ] - [ -0.0002770800000000, 0.0004087900000000, -0.0001653000000000 ] - [ -0.0032949400000000, 0.0107238900000000, -0.0150042500000000 ] - [ 0.0036644800000000, 0.0203854000000000, 0.0473482300000000 ] - [ 0.0031389300000000, -0.0015932500000000, -0.0001605000000000 ] - [ -0.0002479100000000, 0.0003806700000000, 0.0000531500000000 ] - [ -0.0002242700000000, -0.0002296800000000, -0.0000701700000000 ] - [ 0.0003242100000000, 0.0005222100000000, 0.0003276200000000 ] - [ 0.0000396300000000, -0.0000515000000000, 0.0000470700000000 ] - [ -0.0010309200000000, -0.0009805800000000, -0.0015500700000000 ] - [ 0.0011428800000000, -0.0012100900000000, 0.0050745800000000 ] - [ 0.0010694600000000, 0.0012145600000000, 0.0041510600000000 ] - [ -0.0005284200000000, 0.0003425400000000, -0.0017384300000000 ] - [ -0.0021375800000000, -0.0009646900000000, -0.0002155700000000 ] - [ -0.0001349600000000, 0.0000263400000000, 0.0001375500000000 ] - [ -0.0003638000000000, 0.0000200800000000, -0.0000353600000000 ] - [ -0.0002108100000000, 0.0002095800000000, -0.0001179000000000 ] - [ -0.0001180700000000, 0.0002090600000000, 0.0002340200000000 ] - [ -0.0002329800000000, 0.0000571100000000, -0.0000902100000000 ] - [ 0.0003408300000000, -0.0003597900000000, 0.0002563900000000 ] - [ -0.0043275600000000, -0.0045164000000000, 0.0020842200000000 ] - [ 0.0001704300000000, 0.0014075700000000, 0.0007588300000000 ] - [ -0.0000157300000000, -0.0000812000000000, 0.0000508600000000 ] - [ -0.0002604100000000, -0.0010468600000000, -0.0000400800000000 ] - [ 0.0004122000000000, -0.0004614500000000, -0.0000407700000000 ] - [ -0.0001320300000000, -0.0007611300000000, -0.0002891200000000 ] - [ -0.0002812800000000, 0.0000787600000000, 0.0000152300000000 ] - [ 0.0036852700000000, -0.0078769400000000, -0.0081833200000000 ] - [ 0.0024404800000000, -0.0042489600000000, 0.0000420000000000 ] - [ 0.0229411400000000, 0.0259220700000000, 0.0443771200000000 ] - [ -0.0005637700000000, 0.0008208600000000, -0.0001057600000000 ] - [ 0.0001115700000000, 0.0009429400000000, -0.0008372500000000 ] - [ -0.0001582400000000, 0.0005365500000000, 0.0000502100000000 ] - [ -0.0002523400000000, 0.0000376400000000, 0.0003017000000000 ] - [ -0.0004334900000000, 0.0001592200000000, -0.0000417500000000 ] - [ -0.0001282000000000, -0.0000054700000000, 0.0000782600000000 ] - [ 0.0012884400000000, 0.0084954700000000, -0.0002217500000000 ] - [ 0.0071118900000000, 0.0051721400000000, -0.0047444600000000 ] - [ -0.0001413600000000, -0.0002409000000000, 0.0000351400000000 ] - [ 0.0004826700000000, -0.0014069800000000, 0.0002363400000000 ] - [ -0.0018597300000000, -0.0075735700000000, 0.0006785300000000 ] - [ 0.0000053700000000, -0.0001374200000000, 0.0000393500000000 ] - [ -0.0004292800000000, 0.0000092400000000, 0.0000553400000000 ] - [ 0.0003048200000000, 0.0008720700000000, -0.0007551500000000 ] - [ -0.0003330000000000, 0.0004505900000000, -0.0001408300000000 ] - [ -0.0003594400000000, -0.0003014600000000, 0.0020450500000000 ] - [ 0.0003626300000000, -0.0000294500000000, -0.0006910100000000 ] - [ -0.0000437000000000, 0.0001726900000000, 0.0000322500000000 ] - [ -0.0002945000000000, -0.0000345000000000, -0.0001378100000000 ] - [ -0.0003626700000000, 0.0000187700000000, -0.0000849800000000 ] - [ 0.0001354900000000, -0.0001314500000000, -0.0002018200000000 ] - [ 0.0070605100000000, -0.0373033600000000, 0.0474693500000000 ] - [ -0.0004848600000000, -0.0001936700000000, -0.0001663500000000 ] - [ -0.0001656600000000, 0.0000043400000000, 0.0002477200000000 ] - [ 0.0003504800000000, -0.0000678200000000, 0.0003988800000000 ] - [ -0.0000909600000000, 0.0002172100000000, 0.0003209200000000 ] - [ -0.0011377700000000, 0.0003569800000000, -0.0004819100000000 ] - [ 0.0011041600000000, 0.0001054800000000, 0.0001356400000000 ] - [ -0.0001787900000000, 0.0002272800000000, -0.0000037100000000 ] - [ 0.0004171100000000, -0.0002790100000000, 0.0002002800000000 ] - [ -0.0000804100000000, 0.0000793800000000, 0.0000885100000000 ] - [ -0.0477786400000000, 0.0094421200000000, 0.1164299000000000 ] - [ 0.0124680800000000, -0.0030213100000000, 0.0270405400000000 ] - [ 0.0004599100000000, -0.0005431800000000, -0.0000162000000000 ] - [ 0.0001922300000000, -0.0001955500000000, 0.0001136100000000 ] - [ -0.0041655800000000, 0.0038009600000000, 0.0026144700000000 ] - [ 0.0000442700000000, 0.0008932200000000, 0.0000412100000000 ] - [ 0.0026284100000000, 0.0051989300000000, 0.0004078400000000 ] - [ 0.0000454400000000, -0.0000494300000000, 0.0004556800000000 ] - [ -0.0000568900000000, -0.0003328100000000, 0.0000718900000000 ] - [ -0.0005877100000000, 0.0001185900000000, -0.0003258000000000 ] - [ -0.0003377900000000, 0.0003142300000000, -0.0002074900000000 ]- atom: 18 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000932600000000, -0.0001029200000000, -0.0000517900000000 ] - [ 0.0000304100000000, 0.0006236000000000, 0.0000821100000000 ] - [ 0.0013577500000000, -0.0013686100000000, 0.0030819600000000 ] - [ 0.0009607200000000, 0.0008961500000000, 0.0054691500000000 ] - [ -0.0002594000000000, 0.0005202400000000, -0.0000365600000000 ] - [ 0.0001792100000000, 0.0006505500000000, -0.0004609400000000 ] - [ -0.0000921400000000, 0.0001860000000000, -0.0001343800000000 ] - [ -0.0000803100000000, 0.0000199300000000, -0.0001369200000000 ] - [ -0.0011066000000000, -0.0011072400000000, -0.0023843300000000 ] - [ -0.0001965100000000, -0.0000205400000000, -0.0000916700000000 ] - [ 0.0000591600000000, -0.0024759200000000, 0.0027814100000000 ] - [ -0.0001526300000000, -0.0000175600000000, 0.0000184500000000 ] - [ -0.0001317000000000, -0.0000206600000000, 0.0001123800000000 ] - [ -0.0002146000000000, 0.0000646800000000, -0.0000141800000000 ] - [ -0.0069972000000000, 0.0018490900000000, -0.0027093400000000 ] - [ 0.0061832600000000, -0.0015180700000000, -0.0001160700000000 ] - [ 0.0001145300000000, 0.0000047800000000, 0.0001746700000000 ] - [ 0.0002031900000000, -0.0065887900000000, 0.2831859100000000 ] - [ 0.0073746600000000, 0.0228396700000000, -0.0434829500000000 ] - [ 0.0009027800000000, 0.0076208000000000, 0.0144874100000000 ] - [ -0.0001589300000000, -0.0001499000000000, 0.0003338100000000 ] - [ 0.0000019900000000, 0.0003296800000000, 0.0000624500000000 ] - [ -0.0002002300000000, -0.0000969200000000, -0.0000141300000000 ] - [ -0.0000580600000000, 0.0000459700000000, 0.0002002300000000 ] - [ 0.0000421500000000, 0.0003193000000000, 0.0000181300000000 ] - [ 0.0001662000000000, -0.0000809600000000, -0.0000161100000000 ] - [ 0.0004163400000000, -0.0000238100000000, -0.0004843500000000 ] - [ -0.0001495800000000, 0.0003037100000000, -0.0005514900000000 ] - [ -0.0001267200000000, 0.0000194300000000, 0.0001903400000000 ] - [ -0.0004277600000000, 0.0000995000000000, -0.0002245100000000 ] - [ 0.0002696200000000, 0.0005033600000000, -0.0004937300000000 ] - [ 0.0004668800000000, -0.0005304900000000, 0.0000909700000000 ] - [ 0.0001831000000000, -0.0002165300000000, -0.0000284000000000 ] - [ 0.0006683400000000, -0.0006161900000000, -0.0002140900000000 ] - [ 0.0037134100000000, -0.0104021900000000, 0.0145216800000000 ] - [ -0.0035072600000000, -0.0198541700000000, -0.0468150100000000 ] - [ -0.0037082300000000, 0.0014783100000000, 0.0000514000000000 ] - [ 0.0000962400000000, -0.0008278000000000, 0.0000199400000000 ] - [ -0.0003746000000000, -0.0000270600000000, -0.0001333000000000 ] - [ 0.0000702700000000, -0.0007299700000000, -0.0000278300000000 ] - [ -0.0002498600000000, 0.0001026100000000, 0.0000571500000000 ] - [ 0.0004529300000000, 0.0010870500000000, 0.0014279200000000 ] - [ -0.0009082400000000, 0.0011988200000000, -0.0051309200000000 ] - [ -0.0012539000000000, -0.0006457300000000, -0.0041660100000000 ] - [ 0.0002914300000000, -0.0003566100000000, 0.0016475800000000 ] - [ 0.0019213500000000, 0.0004118100000000, 0.0001588900000000 ] - [ -0.0002540200000000, 0.0001855700000000, 0.0001649200000000 ] - [ -0.0002341000000000, 0.0002363600000000, -0.0001680700000000 ] - [ -0.0002902600000000, 0.0000217200000000, -0.0001317700000000 ] - [ -0.0001694100000000, -0.0000064700000000, 0.0002444700000000 ] - [ -0.0003672400000000, 0.0000836400000000, -0.0000746800000000 ] - [ -0.0000498300000000, 0.0005614600000000, 0.0002210100000000 ] - [ 0.0048189700000000, 0.0043940100000000, -0.0021616700000000 ] - [ -0.0002889900000000, -0.0012390300000000, -0.0008049200000000 ] - [ -0.0000537200000000, -0.0001688500000000, 0.0000224200000000 ] - [ 0.0001401600000000, 0.0008679900000000, -0.0000097600000000 ] - [ 0.0000101400000000, 0.0004095100000000, 0.0000385900000000 ] - [ 0.0002059200000000, 0.0005087400000000, 0.0003599500000000 ] - [ -0.0001361700000000, -0.0000256200000000, -0.0000156300000000 ] - [ -0.0034924100000000, 0.0078114500000000, 0.0082678400000000 ] - [ -0.0023102100000000, 0.0041604400000000, -0.0002490000000000 ] - [ -0.0235843500000000, -0.0271864000000000, -0.0448585100000000 ] - [ 0.0004443700000000, -0.0007399200000000, -0.0000901900000000 ] - [ -0.0000899000000000, -0.0011825400000000, 0.0009012200000000 ] - [ -0.0000473700000000, 0.0001797800000000, 0.0001156400000000 ] - [ -0.0001183300000000, -0.0001160900000000, 0.0003311100000000 ] - [ -0.0001678500000000, -0.0003017600000000, -0.0001229300000000 ] - [ -0.0000701500000000, -0.0000490600000000, 0.0000901700000000 ] - [ -0.0007055300000000, -0.0084324500000000, 0.0003373500000000 ] - [ -0.0063462500000000, -0.0058737600000000, 0.0043025800000000 ] - [ 0.0000251900000000, 0.0001695000000000, -0.0002360800000000 ] - [ -0.0004454500000000, 0.0016626100000000, -0.0001642400000000 ] - [ 0.0022132000000000, 0.0074101900000000, -0.0000778600000000 ] - [ -0.0000420400000000, -0.0001186600000000, 0.0000315100000000 ] - [ -0.0001430200000000, -0.0000279800000000, 0.0000703800000000 ] - [ 0.0003006400000000, -0.0007273400000000, 0.0005857200000000 ] - [ -0.0004172300000000, 0.0002769000000000, -0.0002327400000000 ] - [ 0.0005473300000000, 0.0003491700000000, -0.0018749300000000 ] - [ 0.0003775000000000, 0.0007571900000000, 0.0003176700000000 ] - [ -0.0000263300000000, 0.0000779500000000, 0.0000409100000000 ] - [ -0.0002063400000000, -0.0001964800000000, -0.0001117800000000 ] - [ -0.0001486500000000, -0.0001182300000000, -0.0000149800000000 ] - [ -0.0000174900000000, 0.0002039800000000, 0.0000005600000000 ] - [ -0.0069774400000000, 0.0386955700000000, -0.0473488800000000 ] - [ -0.0002650600000000, -0.0005339800000000, -0.0002070100000000 ] - [ -0.0001217600000000, -0.0002063100000000, 0.0002306100000000 ] - [ 0.0000183200000000, 0.0001492900000000, 0.0002372100000000 ] - [ -0.0002794900000000, -0.0001380500000000, 0.0003118000000000 ] - [ 0.0013767000000000, -0.0010917100000000, 0.0006463000000000 ] - [ -0.0005890000000000, -0.0000034100000000, -0.0002334000000000 ] - [ -0.0002396000000000, -0.0002788400000000, 0.0000034900000000 ] - [ 0.0001562700000000, 0.0002978300000000, -0.0000738000000000 ] - [ -0.0001184700000000, -0.0000238900000000, 0.0000800200000000 ] - [ 0.0443900600000000, -0.0090136900000000, -0.1086299300000000 ] - [ -0.0140584200000000, 0.0036401100000000, -0.0270996700000000 ] - [ 0.0000427600000000, 0.0007729100000000, -0.0002312900000000 ] - [ -0.0007640100000000, 0.0002131900000000, 0.0000122900000000 ] - [ 0.0043611000000000, -0.0030859200000000, -0.0024316900000000 ] - [ 0.0000699600000000, -0.0007199900000000, -0.0000909600000000 ] - [ -0.0020173000000000, -0.0053090300000000, -0.0005678500000000 ] - [ -0.0000814300000000, 0.0003059800000000, -0.0003820300000000 ] - [ -0.0001495800000000, -0.0003825500000000, 0.0000938400000000 ] - [ 0.0007005700000000, -0.0002885300000000, 0.0002740300000000 ] - [ -0.0001796600000000, -0.0002129200000000, 0.0001077100000000 ]- atom: 19 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0004157100000000, 0.0001348800000000, 0.0000119400000000 ] - [ 0.0054669100000000, 0.0004240900000000, 0.0004125700000000 ] - [ 0.0037151000000000, 0.0013242200000000, 0.0000758600000000 ] - [ -0.0024416800000000, -0.0159592200000000, 0.0013436400000000 ] - [ -0.0005410900000000, 0.0004403200000000, -0.0000538900000000 ] - [ -0.0082328800000000, 0.0104634300000000, 0.0008827400000000 ] - [ 0.0006091800000000, 0.0006986300000000, -0.0001629200000000 ] - [ -0.0003942900000000, 0.0000736500000000, -0.0001076200000000 ] - [ -0.0015313400000000, -0.0012581800000000, -0.0002822300000000 ] - [ -0.0000150700000000, 0.0000979900000000, -0.0000578900000000 ] - [ -0.0017709100000000, -0.0009126200000000, 0.0001472800000000 ] - [ -0.0017412700000000, -0.0007565200000000, -0.0009022700000000 ] - [ 0.0000494500000000, 0.0000964000000000, 0.0000810300000000 ] - [ -0.0016947300000000, -0.0007591400000000, 0.0008772600000000 ] - [ 0.0092846400000000, 0.0016923500000000, -0.0019826300000000 ] - [ 0.0083816600000000, 0.0017759900000000, 0.0019323500000000 ] - [ -0.0001179900000000, 0.0002001200000000, 0.0000059700000000 ] - [ 0.0145222600000000, 0.0101757700000000, -0.0073824700000000 ] - [ -0.3825974600000000, -0.0333574000000000, -0.0079066500000000 ] - [ -0.0017917900000000, 0.0065162600000000, -0.0000030900000000 ] - [ 0.0120762600000000, -0.0036175000000000, 0.0025221900000000 ] - [ 0.0017666200000000, 0.0037312900000000, 0.0001543600000000 ] - [ -0.0001925100000000, -0.0001204400000000, -0.0000628200000000 ] - [ 0.0023703000000000, -0.0009431900000000, 0.0002236700000000 ] - [ 0.0001492700000000, 0.0010328800000000, -0.0001074000000000 ] - [ 0.0001754200000000, -0.0006087700000000, 0.0000841100000000 ] - [ -0.0003464300000000, 0.0006996200000000, 0.0000016400000000 ] - [ 0.0056192500000000, -0.0020369400000000, 0.0006663400000000 ] - [ 0.0001689500000000, -0.0001561700000000, 0.0001854600000000 ] - [ -0.0006926300000000, 0.0003201700000000, -0.0002489600000000 ] - [ 0.0065137400000000, 0.0069717900000000, -0.0028179800000000 ] - [ 0.0027405500000000, -0.0017621300000000, -0.0001795200000000 ] - [ 0.0000731700000000, -0.0004294600000000, -0.0000037700000000 ] - [ 0.0012190700000000, -0.0010672500000000, -0.0003237800000000 ] - [ -0.0264571600000000, -0.0118600500000000, -0.0109713100000000 ] - [ -0.0101649600000000, 0.0186495200000000, 0.0062259800000000 ] - [ -0.0042115600000000, 0.0113857000000000, 0.0047997800000000 ] - [ 0.0007429800000000, -0.0044405100000000, -0.0003225700000000 ] - [ -0.0019775400000000, 0.0013648600000000, -0.0003399600000000 ] - [ 0.0095983400000000, -0.0052197600000000, -0.0018253100000000 ] - [ -0.0005435900000000, 0.0003851300000000, 0.0000198100000000 ] - [ 0.0008454000000000, 0.0013418700000000, 0.0000677700000000 ] - [ 0.0210996900000000, -0.0192192700000000, 0.0012382700000000 ] - [ 0.0026892200000000, 0.0024433300000000, 0.0002286000000000 ] - [ 0.0022612100000000, -0.0073615500000000, -0.0001962000000000 ] - [ 0.0445174500000000, 0.0094833600000000, -0.0011500000000000 ] - [ -0.0013952300000000, 0.0008657100000000, 0.0000582500000000 ] - [ 0.0000053200000000, 0.0002530900000000, -0.0000586200000000 ] - [ -0.0006938400000000, 0.0003802500000000, -0.0002282500000000 ] - [ -0.0002522400000000, 0.0001314700000000, 0.0002792000000000 ] - [ -0.0002905900000000, -0.0003303000000000, -0.0000670300000000 ] - [ -0.0037473900000000, 0.0037265200000000, -0.0001702200000000 ] - [ 0.0174493900000000, -0.0031572800000000, 0.0019726800000000 ] - [ -0.0091067100000000, -0.0136138300000000, -0.0019170300000000 ] - [ 0.0004232600000000, 0.0003024900000000, 0.0000297000000000 ] - [ -0.0004476000000000, -0.0013759700000000, 0.0000450100000000 ] - [ -0.0012188400000000, 0.0016938600000000, -0.0002452400000000 ] - [ 0.0008021700000000, 0.0034340900000000, 0.0001636400000000 ] - [ 0.0000370400000000, -0.0003829100000000, -0.0000199700000000 ] - [ 0.0095483200000000, 0.0011917300000000, -0.0032862200000000 ] - [ -0.0013962300000000, 0.0062994200000000, -0.0002863600000000 ] - [ 0.0406974900000000, 0.0064825700000000, 0.0263679400000000 ] - [ -0.0046650300000000, 0.0043244600000000, 0.0004809800000000 ] - [ -0.0098796200000000, 0.0005981900000000, -0.0007743900000000 ] - [ 0.0011880700000000, -0.0009808800000000, 0.0003080700000000 ] - [ 0.0004936100000000, -0.0014759500000000, 0.0004178600000000 ] - [ -0.0004059900000000, -0.0035105200000000, -0.0000864900000000 ] - [ 0.0010465400000000, 0.0003795600000000, 0.0000974200000000 ] - [ 0.0498693000000000, -0.0251147100000000, -0.0106804400000000 ] - [ 0.2232695400000000, 0.0214502700000000, 0.0178770800000000 ] - [ 0.0000948900000000, 0.0000561100000000, -0.0001185800000000 ] - [ 0.0004468500000000, 0.0005513500000000, 0.0000850400000000 ] - [ -0.0008391800000000, -0.0052871100000000, -0.0001774100000000 ] - [ -0.0001048200000000, -0.0001824400000000, 0.0000528400000000 ] - [ -0.0000687300000000, -0.0001434500000000, 0.0000344200000000 ] - [ -0.0101704700000000, -0.0036506800000000, 0.0070025900000000 ] - [ -0.0028699000000000, -0.0005033700000000, -0.0003404600000000 ] - [ -0.0074363700000000, -0.0014975900000000, 0.0005917000000000 ] - [ -0.0023477800000000, 0.0003689100000000, -0.0002869900000000 ] - [ -0.0002277200000000, -0.0002164900000000, 0.0000690900000000 ] - [ 0.0000927400000000, -0.0006479100000000, -0.0000188900000000 ] - [ 0.0003102800000000, -0.0003115000000000, -0.0000407800000000 ] - [ -0.0000303400000000, 0.0003376000000000, -0.0000514300000000 ] - [ -0.0001730700000000, -0.0087367200000000, 0.0018409900000000 ] - [ 0.0000280200000000, -0.0006317100000000, -0.0001778800000000 ] - [ 0.0002410300000000, -0.0011683400000000, 0.0000999000000000 ] - [ -0.0140369900000000, 0.0059924400000000, -0.0023067500000000 ] - [ -0.0003200600000000, -0.0001355400000000, 0.0002928900000000 ] - [ -0.0102300000000000, -0.0006032600000000, -0.0004430500000000 ] - [ -0.0009775200000000, 0.0000660400000000, -0.0000196400000000 ] - [ -0.0014761000000000, 0.0007025800000000, 0.0001545300000000 ] - [ -0.0002424900000000, 0.0006728300000000, 0.0000213800000000 ] - [ -0.0004070300000000, -0.0000925900000000, 0.0000595800000000 ] - [ 0.0470004800000000, 0.0360754000000000, -0.0229778800000000 ] - [ -0.0077269400000000, -0.0006891200000000, 0.0013864300000000 ] - [ -0.0021119300000000, 0.0029947400000000, 0.0004028200000000 ] - [ -0.0033315900000000, 0.0019975200000000, 0.0003319300000000 ] - [ 0.0032482400000000, -0.0007098000000000, -0.0000023300000000 ] - [ 0.0001865600000000, -0.0006871600000000, -0.0000461200000000 ] - [ -0.0007651800000000, -0.0024443300000000, -0.0001363500000000 ] - [ 0.0019251000000000, 0.0032551900000000, 0.0000001600000000 ] - [ -0.0003719200000000, -0.0005008900000000, 0.0000692500000000 ] - [ -0.0010055800000000, -0.0046069400000000, -0.0006083000000000 ] - [ -0.0072481500000000, -0.0012726500000000, 0.0001823700000000 ]- atom: 19 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0004175400000000, -0.0002636700000000, -0.0000321100000000 ] - [ -0.0054595100000000, -0.0005788100000000, -0.0004261500000000 ] - [ -0.0035657000000000, -0.0011614800000000, -0.0003274400000000 ] - [ 0.0026251300000000, 0.0158697200000000, -0.0015643000000000 ] - [ 0.0005434400000000, -0.0003113600000000, 0.0000343200000000 ] - [ 0.0083008700000000, -0.0103049700000000, -0.0009046800000000 ] - [ -0.0007676800000000, -0.0005539300000000, -0.0000891200000000 ] - [ 0.0002361600000000, -0.0002203000000000, -0.0001436600000000 ] - [ 0.0019546200000000, 0.0013566800000000, 0.0001230000000000 ] - [ -0.0004069000000000, -0.0001931200000000, -0.0001083800000000 ] - [ 0.0020681800000000, 0.0010091400000000, 0.0000509100000000 ] - [ 0.0014509400000000, 0.0008514000000000, 0.0011095100000000 ] - [ -0.0003431800000000, -0.0001883700000000, 0.0001236800000000 ] - [ 0.0012752100000000, 0.0008578300000000, -0.0010458300000000 ] - [ -0.0089514500000000, -0.0017455800000000, 0.0021481200000000 ] - [ -0.0079252800000000, -0.0018321700000000, -0.0020602800000000 ] - [ 0.0003292700000000, -0.0007536000000000, -0.0000553700000000 ] - [ -0.0148475200000000, -0.0096551300000000, 0.0074471200000000 ] - [ 0.3984261700000000, 0.0354002600000000, 0.0112442700000000 ] - [ 0.0023993900000000, -0.0068008500000000, -0.0001964700000000 ] - [ -0.0114629400000000, 0.0038927500000000, -0.0027127400000000 ] - [ -0.0015543000000000, -0.0031836000000000, -0.0002015200000000 ] - [ -0.0000438200000000, 0.0001401400000000, -0.0000172500000000 ] - [ -0.0025841700000000, 0.0008919000000000, -0.0001191100000000 ] - [ -0.0000049800000000, -0.0005849000000000, 0.0001813400000000 ] - [ -0.0000338600000000, 0.0001607400000000, -0.0000103200000000 ] - [ 0.0009286800000000, -0.0008140400000000, -0.0001138200000000 ] - [ -0.0060249600000000, 0.0018201800000000, -0.0010509800000000 ] - [ -0.0005589200000000, -0.0000563300000000, 0.0001172500000000 ] - [ 0.0003021500000000, -0.0001137500000000, -0.0001297900000000 ] - [ -0.0059289700000000, -0.0068707400000000, 0.0027014900000000 ] - [ -0.0025353300000000, 0.0017198400000000, 0.0002831300000000 ] - [ 0.0001639500000000, 0.0004142100000000, -0.0000765000000000 ] - [ -0.0008292900000000, 0.0008666900000000, -0.0000543200000000 ] - [ 0.0268766100000000, 0.0122106700000000, 0.0106169600000000 ] - [ 0.0105554100000000, -0.0185252800000000, -0.0059286400000000 ] - [ 0.0036199300000000, -0.0115010500000000, -0.0048977200000000 ] - [ -0.0008866700000000, 0.0040009200000000, 0.0003987900000000 ] - [ 0.0013820700000000, -0.0016217300000000, 0.0001365300000000 ] - [ -0.0091922700000000, 0.0050133400000000, 0.0021131900000000 ] - [ 0.0003352300000000, -0.0003336400000000, 0.0000844100000000 ] - [ -0.0014308400000000, -0.0012333900000000, -0.0001796000000000 ] - [ -0.0209299200000000, 0.0189575500000000, -0.0013450400000000 ] - [ -0.0029174400000000, -0.0018960500000000, -0.0002798100000000 ] - [ -0.0025187000000000, 0.0073681300000000, 0.0001220800000000 ] - [ -0.0451148300000000, -0.0101127900000000, 0.0010159200000000 ] - [ 0.0010088800000000, -0.0006537200000000, 0.0002446800000000 ] - [ -0.0006040900000000, 0.0000024600000000, -0.0001453400000000 ] - [ 0.0001942500000000, -0.0001486900000000, -0.0000211800000000 ] - [ -0.0000344900000000, 0.0000703600000000, 0.0001992500000000 ] - [ -0.0003101800000000, 0.0004735600000000, -0.0000977300000000 ] - [ 0.0040291300000000, -0.0035328000000000, 0.0006443300000000 ] - [ -0.0169713900000000, 0.0030796000000000, -0.0020748300000000 ] - [ 0.0089880600000000, 0.0137674900000000, 0.0018698200000000 ] - [ -0.0004913300000000, -0.0005546700000000, 0.0000428100000000 ] - [ 0.0003354900000000, 0.0012137700000000, -0.0000950500000000 ] - [ 0.0016387400000000, -0.0017539500000000, 0.0002458300000000 ] - [ -0.0007371600000000, -0.0036921000000000, -0.0000910700000000 ] - [ -0.0004549800000000, 0.0004361600000000, 0.0000199600000000 ] - [ -0.0093878900000000, -0.0012780100000000, 0.0034499900000000 ] - [ 0.0015602300000000, -0.0063919700000000, 0.0000479900000000 ] - [ -0.0406577400000000, -0.0064474800000000, -0.0264886500000000 ] - [ 0.0046071100000000, -0.0042589500000000, -0.0006670100000000 ] - [ 0.0098512600000000, -0.0007987800000000, 0.0008435600000000 ] - [ -0.0013975100000000, 0.0016970400000000, -0.0001424900000000 ] - [ -0.0008664400000000, 0.0013999800000000, 0.0002152900000000 ] - [ -0.0001962100000000, 0.0033662200000000, -0.0000776500000000 ] - [ -0.0012484200000000, -0.0004357300000000, 0.0000712500000000 ] - [ -0.0490155300000000, 0.0239195900000000, 0.0101480100000000 ] - [ -0.2374894000000000, -0.0238882400000000, -0.0201159300000000 ] - [ -0.0002122500000000, -0.0001290500000000, -0.0000823600000000 ] - [ -0.0004095700000000, -0.0002995800000000, -0.0000146700000000 ] - [ 0.0012281500000000, 0.0052486100000000, 0.0008162300000000 ] - [ 0.0000696200000000, -0.0000749800000000, 0.0000175500000000 ] - [ -0.0005049400000000, 0.0001237300000000, 0.0000914500000000 ] - [ 0.0107860500000000, 0.0038096600000000, -0.0071837600000000 ] - [ 0.0021227400000000, 0.0012345700000000, -0.0000333400000000 ] - [ 0.0076046400000000, 0.0015273400000000, -0.0004186200000000 ] - [ 0.0031083600000000, 0.0003537800000000, -0.0000864000000000 ] - [ 0.0001585800000000, 0.0004671700000000, 0.0000039000000000 ] - [ -0.0005941700000000, 0.0004168100000000, -0.0002311500000000 ] - [ -0.0008232800000000, 0.0002138600000000, -0.0000588800000000 ] - [ 0.0001473700000000, -0.0002682300000000, -0.0001504200000000 ] - [ 0.0004822800000000, 0.0085732300000000, -0.0013940600000000 ] - [ -0.0007782000000000, -0.0000962500000000, -0.0001954100000000 ] - [ -0.0005294600000000, 0.0009661800000000, 0.0003787500000000 ] - [ 0.0143596200000000, -0.0058743000000000, 0.0029366900000000 ] - [ -0.0000501900000000, 0.0002144600000000, 0.0003398100000000 ] - [ 0.0104126300000000, -0.0001230900000000, 0.0006078400000000 ] - [ 0.0014939800000000, 0.0000310500000000, -0.0000800900000000 ] - [ 0.0010614600000000, -0.0007578200000000, -0.0001542300000000 ] - [ 0.0008168600000000, -0.0006566000000000, 0.0001051600000000 ] - [ 0.0002080500000000, 0.0001477600000000, 0.0001091000000000 ] - [ -0.0465502700000000, -0.0354039200000000, 0.0222544400000000 ] - [ 0.0078219700000000, 0.0009163200000000, -0.0013077700000000 ] - [ 0.0026102700000000, -0.0027701900000000, -0.0006496800000000 ] - [ 0.0027670100000000, -0.0019792500000000, -0.0002067100000000 ] - [ -0.0030521500000000, 0.0014276700000000, 0.0001656200000000 ] - [ -0.0000717900000000, 0.0008582500000000, -0.0000037700000000 ] - [ 0.0013723100000000, 0.0023120000000000, -0.0000276400000000 ] - [ -0.0019613500000000, -0.0030074600000000, 0.0000681400000000 ] - [ 0.0001653900000000, -0.0002141000000000, 0.0000963200000000 ] - [ 0.0011220100000000, 0.0044457200000000, 0.0005580500000000 ] - [ 0.0067315100000000, 0.0013840100000000, -0.0002770400000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002729600000000, 0.0023455800000000, 0.0000895000000000 ] - [ -0.0013813800000000, -0.0019666300000000, 0.0000818000000000 ] - [ 0.0041691900000000, -0.0005557200000000, -0.0003427700000000 ] - [ -0.0141548700000000, -0.0062838500000000, -0.0026478800000000 ] - [ -0.0002221900000000, 0.0037554200000000, -0.0001469500000000 ] - [ 0.0093805000000000, 0.0185561000000000, -0.0004845000000000 ] - [ -0.0002899900000000, 0.0023831600000000, -0.0000930300000000 ] - [ 0.0000397600000000, 0.0030699800000000, -0.0001708500000000 ] - [ -0.0038935100000000, 0.0032457300000000, 0.0026939100000000 ] - [ -0.0004161800000000, 0.0018605900000000, 0.0001519800000000 ] - [ -0.0043558000000000, 0.0035012900000000, -0.0028340900000000 ] - [ 0.0003192400000000, 0.0028428800000000, 0.0005429500000000 ] - [ -0.0003492100000000, 0.0018476500000000, -0.0001097600000000 ] - [ 0.0001789400000000, 0.0028930200000000, -0.0005452000000000 ] - [ 0.0021698000000000, -0.0077634800000000, 0.0035890600000000 ] - [ 0.0017771900000000, -0.0074628500000000, -0.0034846000000000 ] - [ 0.0001775000000000, 0.0031699500000000, -0.0000705200000000 ] - [ 0.0145976000000000, -0.0184011100000000, -0.0228770900000000 ] - [ -0.0377157900000000, -0.3185725900000000, 0.0189697900000000 ] - [ 0.0008640800000000, 0.0083958400000000, -0.0013996500000000 ] - [ 0.0013872500000000, -0.0045797400000000, 0.0005384700000000 ] - [ -0.0000336400000000, 0.0018830200000000, 0.0000753200000000 ] - [ -0.0004606200000000, 0.0028807200000000, -0.0000875700000000 ] - [ -0.0010239000000000, 0.0031275100000000, 0.0001746300000000 ] - [ -0.0000301200000000, 0.0037846800000000, -0.0000400100000000 ] - [ -0.0004007600000000, 0.0035721700000000, 0.0001079600000000 ] - [ -0.0002474300000000, 0.0035851600000000, 0.0000126700000000 ] - [ -0.0041218100000000, 0.0024886600000000, -0.0013936000000000 ] - [ -0.0001681900000000, 0.0032033700000000, 0.0001044600000000 ] - [ -0.0005666300000000, 0.0034382500000000, -0.0002026200000000 ] - [ 0.0001290200000000, 0.0001701000000000, 0.0009232100000000 ] - [ 0.0018457700000000, -0.0010912500000000, -0.0002382200000000 ] - [ -0.0018001000000000, 0.0032943300000000, -0.0004427100000000 ] - [ 0.0006420600000000, 0.0007173100000000, -0.0004689200000000 ] - [ 0.0059754000000000, -0.0071359300000000, 0.0179415800000000 ] - [ 0.0042066700000000, 0.0390892000000000, 0.0078803900000000 ] - [ 0.0087657900000000, -0.0025159000000000, -0.0009318000000000 ] - [ -0.0036403700000000, -0.0038855800000000, -0.0004686000000000 ] - [ 0.0016892500000000, 0.0027401900000000, 0.0001978300000000 ] - [ 0.0016255200000000, -0.0043908400000000, -0.0007719300000000 ] - [ -0.0004645400000000, 0.0033441200000000, 0.0000457000000000 ] - [ 0.0008033000000000, 0.0039628900000000, -0.0000520400000000 ] - [ -0.0310831000000000, 0.0079952100000000, -0.0107003700000000 ] - [ 0.0049162200000000, 0.0053330400000000, 0.0007646800000000 ] - [ -0.0030411400000000, 0.0080479200000000, 0.0008827500000000 ] - [ 0.0057545700000000, -0.0001024000000000, 0.0009987100000000 ] - [ 0.0005077700000000, 0.0032653400000000, 0.0004174400000000 ] - [ 0.0000251000000000, 0.0034495800000000, -0.0002089400000000 ] - [ -0.0001846200000000, -0.0029461200000000, 0.0000774500000000 ] - [ 0.0000405700000000, -0.0032361300000000, 0.0001390400000000 ] - [ -0.0009600500000000, -0.0029468100000000, 0.0000356000000000 ] - [ 0.0009377400000000, 0.0044303500000000, 0.0002980500000000 ] - [ -0.0095522800000000, 0.0012303300000000, -0.0019862400000000 ] - [ -0.0007305700000000, 0.0040198200000000, 0.0008855000000000 ] - [ 0.0007195600000000, -0.0028135500000000, -0.0000104700000000 ] - [ -0.0004491500000000, -0.0039622000000000, 0.0000162500000000 ] - [ 0.0001741700000000, 0.0004556200000000, -0.0000370700000000 ] - [ 0.0044171900000000, 0.0009635100000000, 0.0001450800000000 ] - [ 0.0002354400000000, -0.0029033000000000, -0.0000459300000000 ] - [ 0.0085018000000000, -0.0091428000000000, -0.0021870100000000 ] - [ 0.0040662200000000, -0.0020455100000000, -0.0019830500000000 ] - [ 0.0060242300000000, 0.0535930900000000, 0.0027658600000000 ] - [ 0.0073593800000000, -0.0049884800000000, 0.0010022500000000 ] - [ 0.0087368900000000, 0.0090389200000000, 0.0024411500000000 ] - [ -0.0009462100000000, -0.0035423100000000, 0.0001493200000000 ] - [ -0.0001239900000000, -0.0017597700000000, 0.0005209900000000 ] - [ -0.0005349400000000, -0.0011226700000000, -0.0002534200000000 ] - [ -0.0012567100000000, -0.0028336500000000, 0.0001094600000000 ] - [ -0.0295753000000000, 0.0812584800000000, 0.0216670200000000 ] - [ 0.0225992400000000, 0.0310439600000000, 0.0013244600000000 ] - [ -0.0000674000000000, -0.0026255400000000, 0.0005548300000000 ] - [ 0.0036450600000000, -0.0045860300000000, 0.0000975800000000 ] - [ -0.0038403700000000, -0.0085500400000000, 0.0008324300000000 ] - [ 0.0008845900000000, -0.0027109100000000, 0.0000758800000000 ] - [ -0.0003974700000000, -0.0024043200000000, -0.0001964400000000 ] - [ -0.0026314400000000, 0.0043171200000000, 0.0004211200000000 ] - [ -0.0001353300000000, -0.0009119900000000, -0.0003357800000000 ] - [ -0.0010475300000000, 0.0042703000000000, 0.0007684000000000 ] - [ -0.0028252900000000, -0.0000545400000000, -0.0001713200000000 ] - [ -0.0003920800000000, -0.0019502500000000, 0.0000642700000000 ] - [ -0.0001465900000000, -0.0032238000000000, -0.0003097900000000 ] - [ 0.0003040300000000, -0.0021854500000000, -0.0000982100000000 ] - [ 0.0002713600000000, -0.0017847700000000, -0.0007045800000000 ] - [ -0.0031170700000000, -0.0056773100000000, 0.0008556900000000 ] - [ 0.0001302700000000, -0.0026837700000000, -0.0000301800000000 ] - [ -0.0007365700000000, -0.0031203500000000, 0.0002627200000000 ] - [ -0.0046178100000000, 0.0045709000000000, -0.0011782500000000 ] - [ -0.0010516200000000, -0.0025395400000000, 0.0002445500000000 ] - [ -0.0018137900000000, 0.0040204800000000, 0.0000165000000000 ] - [ -0.0005941600000000, -0.0011944800000000, 0.0000545400000000 ] - [ 0.0003372400000000, -0.0032405900000000, 0.0000107400000000 ] - [ 0.0003861300000000, -0.0007327100000000, 0.0003602200000000 ] - [ 0.0005582500000000, -0.0021258500000000, 0.0000698800000000 ] - [ 0.0439012600000000, 0.1197318600000000, -0.0382751600000000 ] - [ -0.0108959700000000, 0.0094871300000000, 0.0059247900000000 ] - [ 0.0003769400000000, 0.0027329600000000, -0.0006778900000000 ] - [ 0.0021286200000000, -0.0025628200000000, 0.0000433800000000 ] - [ 0.0020264700000000, -0.0036449000000000, 0.0003193600000000 ] - [ 0.0004813600000000, -0.0032713300000000, -0.0000753400000000 ] - [ -0.0021840300000000, -0.0043069800000000, 0.0000389500000000 ] - [ -0.0007899400000000, -0.0042426500000000, -0.0002420000000000 ] - [ -0.0001252400000000, -0.0025508900000000, 0.0000734800000000 ] - [ -0.0013868700000000, -0.0007015500000000, 0.0002182700000000 ] - [ 0.0015071900000000, 0.0001297800000000, -0.0000574900000000 ]- atom: 19 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002746500000000, -0.0024732900000000, -0.0001095400000000 ] - [ 0.0013800400000000, 0.0018461200000000, -0.0001001300000000 ] - [ -0.0040097000000000, 0.0006891000000000, 0.0000920700000000 ] - [ 0.0143073100000000, 0.0060236000000000, 0.0023727900000000 ] - [ 0.0002257300000000, -0.0036185900000000, 0.0001275100000000 ] - [ -0.0094804100000000, -0.0187192200000000, 0.0004498300000000 ] - [ 0.0001289300000000, -0.0022321200000000, -0.0001590200000000 ] - [ -0.0001974400000000, -0.0032140700000000, -0.0000804600000000 ] - [ 0.0042841500000000, -0.0031249100000000, -0.0028113700000000 ] - [ -0.0000076600000000, -0.0019537900000000, -0.0003179600000000 ] - [ 0.0046151500000000, -0.0033850700000000, 0.0029885600000000 ] - [ -0.0006073400000000, -0.0027483300000000, -0.0003342400000000 ] - [ 0.0000535400000000, -0.0019379700000000, 0.0003141600000000 ] - [ -0.0005953800000000, -0.0027953300000000, 0.0003750900000000 ] - [ -0.0018867000000000, 0.0076680800000000, -0.0033858600000000 ] - [ -0.0013669000000000, 0.0073632000000000, 0.0033172300000000 ] - [ 0.0000396000000000, -0.0037211900000000, 0.0000217400000000 ] - [ -0.0147206000000000, 0.0187663800000000, 0.0229636900000000 ] - [ 0.0310212900000000, 0.3169907500000000, -0.0122329400000000 ] - [ -0.0002434200000000, -0.0086563200000000, 0.0012028700000000 ] - [ -0.0007733100000000, 0.0048220600000000, -0.0007363300000000 ] - [ 0.0002461700000000, -0.0013233300000000, -0.0001244000000000 ] - [ 0.0002217200000000, -0.0028591700000000, 0.0000058300000000 ] - [ 0.0008096900000000, -0.0031716100000000, -0.0000678300000000 ] - [ 0.0001730500000000, -0.0033325200000000, 0.0001138400000000 ] - [ 0.0005502800000000, -0.0040142000000000, -0.0000358000000000 ] - [ 0.0008345000000000, -0.0036962300000000, -0.0001247500000000 ] - [ 0.0037250700000000, -0.0026843500000000, 0.0010072800000000 ] - [ -0.0002225500000000, -0.0034114400000000, 0.0001975200000000 ] - [ 0.0001742800000000, -0.0032266200000000, -0.0001759600000000 ] - [ 0.0004486200000000, -0.0000533000000000, -0.0010339900000000 ] - [ -0.0016348000000000, 0.0010291700000000, 0.0003420800000000 ] - [ 0.0020188100000000, -0.0033005300000000, 0.0003589100000000 ] - [ -0.0002523000000000, -0.0009284700000000, 0.0000892600000000 ] - [ -0.0055308500000000, 0.0074568000000000, -0.0183037000000000 ] - [ -0.0035974600000000, -0.0385309500000000, -0.0076208800000000 ] - [ -0.0093992700000000, 0.0024444200000000, 0.0008242700000000 ] - [ 0.0034764000000000, 0.0034136300000000, 0.0005401800000000 ] - [ -0.0022996700000000, -0.0029926500000000, -0.0004018400000000 ] - [ -0.0012309400000000, 0.0041551400000000, 0.0010706200000000 ] - [ 0.0002531100000000, -0.0032885900000000, 0.0000587500000000 ] - [ -0.0013840500000000, -0.0038492100000000, -0.0000575800000000 ] - [ 0.0314420700000000, -0.0080187000000000, 0.0105856300000000 ] - [ -0.0051264200000000, -0.0047781800000000, -0.0008158300000000 ] - [ 0.0028073800000000, -0.0080574500000000, -0.0009424300000000 ] - [ -0.0060092500000000, -0.0004227800000000, -0.0010333500000000 ] - [ -0.0009001300000000, -0.0030483700000000, -0.0001157800000000 ] - [ -0.0006229200000000, -0.0031904800000000, 0.0000050300000000 ] - [ -0.0003175500000000, 0.0031716800000000, -0.0003278700000000 ] - [ -0.0003294700000000, 0.0034330000000000, 0.0003401000000000 ] - [ 0.0003575500000000, 0.0030867900000000, -0.0001998400000000 ] - [ -0.0006507300000000, -0.0042085300000000, 0.0001807400000000 ] - [ 0.0101046400000000, -0.0013655800000000, 0.0018816100000000 ] - [ 0.0006236600000000, -0.0038809600000000, -0.0009378600000000 ] - [ -0.0007929500000000, 0.0025608500000000, 0.0000831900000000 ] - [ 0.0003330300000000, 0.0037986500000000, -0.0000663900000000 ] - [ 0.0002474000000000, -0.0005014700000000, 0.0000378300000000 ] - [ -0.0043251200000000, -0.0011963700000000, -0.0000714200000000 ] - [ -0.0006527900000000, 0.0029535800000000, 0.0000463400000000 ] - [ -0.0082707100000000, 0.0089952300000000, 0.0023576400000000 ] - [ -0.0039475900000000, 0.0019438000000000, 0.0017014700000000 ] - [ -0.0057328900000000, -0.0535122600000000, -0.0032858500000000 ] - [ -0.0074408200000000, 0.0050270900000000, -0.0012027500000000 ] - [ -0.0087042500000000, -0.0093108600000000, -0.0023822900000000 ] - [ 0.0007377000000000, 0.0042685600000000, 0.0000141500000000 ] - [ -0.0002426000000000, 0.0016777400000000, 0.0001105000000000 ] - [ -0.0000595500000000, 0.0009724700000000, 0.0000893300000000 ] - [ 0.0010546200000000, 0.0027765300000000, 0.0000590600000000 ] - [ 0.0326226700000000, -0.0850645900000000, -0.0240122700000000 ] - [ -0.0205951900000000, -0.0314497400000000, -0.0016513500000000 ] - [ -0.0000468200000000, 0.0025474400000000, -0.0007533400000000 ] - [ -0.0035784900000000, 0.0048093700000000, -0.0000265700000000 ] - [ 0.0042042500000000, 0.0085145400000000, -0.0001895100000000 ] - [ -0.0009172600000000, 0.0024503400000000, -0.0000051900000000 ] - [ -0.0001754400000000, 0.0023810900000000, 0.0003224100000000 ] - [ 0.0032035000000000, -0.0041993300000000, -0.0005618900000000 ] - [ -0.0006114000000000, 0.0016361100000000, -0.0000380200000000 ] - [ 0.0012466600000000, -0.0042058400000000, -0.0005963900000000 ] - [ 0.0035716800000000, 0.0007873500000000, -0.0002005800000000 ] - [ 0.0003245900000000, 0.0021981800000000, 0.0000083200000000 ] - [ -0.0003538800000000, 0.0029890000000000, 0.0000595900000000 ] - [ -0.0008174900000000, 0.0020845400000000, -0.0000019900000000 ] - [ -0.0001480000000000, 0.0018545900000000, 0.0004994800000000 ] - [ 0.0033963600000000, 0.0055170400000000, -0.0004556000000000 ] - [ -0.0008805900000000, 0.0019530100000000, -0.0003430900000000 ] - [ 0.0004506900000000, 0.0029160700000000, 0.0002169300000000 ] - [ 0.0049521300000000, -0.0044655100000000, 0.0018111200000000 ] - [ 0.0006792900000000, 0.0026146600000000, 0.0003875800000000 ] - [ 0.0020186900000000, -0.0047344900000000, 0.0001467900000000 ] - [ 0.0011056400000000, 0.0012929900000000, -0.0001543200000000 ] - [ -0.0007553700000000, 0.0031739400000000, -0.0000095000000000 ] - [ 0.0001943100000000, 0.0007554900000000, -0.0002319700000000 ] - [ -0.0007571200000000, 0.0021779600000000, 0.0000990900000000 ] - [ -0.0403427000000000, -0.1147791100000000, 0.0344959400000000 ] - [ 0.0109864300000000, -0.0092132800000000, -0.0058211300000000 ] - [ 0.0001278500000000, -0.0024858800000000, 0.0004260000000000 ] - [ -0.0027014500000000, 0.0025768100000000, 0.0000833300000000 ] - [ -0.0018275000000000, 0.0043490000000000, -0.0001533100000000 ] - [ -0.0003682800000000, 0.0034381400000000, 0.0000247700000000 ] - [ 0.0027782000000000, 0.0041649800000000, -0.0002012800000000 ] - [ 0.0007458900000000, 0.0044922900000000, 0.0003106000000000 ] - [ -0.0000828800000000, 0.0018349000000000, 0.0000919000000000 ] - [ 0.0015070400000000, 0.0005247500000000, -0.0002672200000000 ] - [ -0.0020103300000000, -0.0000358300000000, -0.0000398200000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000774400000000, -0.0000324100000000, -0.0000293200000000 ] - [ 0.0000081000000000, -0.0002244700000000, 0.0001321500000000 ] - [ 0.0000970600000000, 0.0007966200000000, 0.0002544400000000 ] - [ -0.0004310200000000, 0.0006474900000000, 0.0149844700000000 ] - [ 0.0000519000000000, 0.0000705800000000, 0.0000094000000000 ] - [ 0.0011663500000000, 0.0005788300000000, -0.0028957300000000 ] - [ -0.0001544300000000, 0.0000482100000000, -0.0001424700000000 ] - [ -0.0000523100000000, -0.0000706300000000, -0.0001309800000000 ] - [ 0.0003446600000000, 0.0001861100000000, -0.0004165100000000 ] - [ -0.0002323400000000, -0.0000361700000000, -0.0000766500000000 ] - [ 0.0005362700000000, -0.0003716000000000, 0.0005682800000000 ] - [ -0.0001064200000000, -0.0000787100000000, -0.0000050700000000 ] - [ -0.0001676600000000, -0.0000343200000000, 0.0000941800000000 ] - [ -0.0001786400000000, 0.0001222900000000, -0.0000074500000000 ] - [ -0.0001946000000000, -0.0012933400000000, 0.0015301500000000 ] - [ 0.0023567300000000, -0.0009886100000000, -0.0015431100000000 ] - [ 0.0001299400000000, -0.0002798000000000, 0.0000407600000000 ] - [ 0.0073520700000000, 0.0166917100000000, 0.0438623400000000 ] - [ -0.0120197600000000, 0.0151374600000000, -0.3085406100000000 ] - [ 0.0000702600000000, 0.0009239700000000, 0.0037092600000000 ] - [ 0.0008248200000000, -0.0007214100000000, -0.0002775800000000 ] - [ -0.0000433800000000, 0.0000005500000000, 0.0000261700000000 ] - [ -0.0000919700000000, 0.0000753400000000, -0.0000182700000000 ] - [ -0.0002753900000000, -0.0001471400000000, 0.0004641700000000 ] - [ 0.0000681400000000, 0.0002008500000000, 0.0000318400000000 ] - [ 0.0002063500000000, -0.0001289500000000, -0.0001123700000000 ] - [ 0.0004631100000000, -0.0002036400000000, -0.0002149300000000 ] - [ -0.0010314400000000, 0.0003712500000000, -0.0016130000000000 ] - [ -0.0002207700000000, -0.0000831300000000, 0.0002030800000000 ] - [ -0.0001260600000000, 0.0001027900000000, -0.0001850800000000 ] - [ 0.0000259100000000, -0.0001108000000000, -0.0002317100000000 ] - [ -0.0001275700000000, 0.0002650100000000, 0.0000282800000000 ] - [ 0.0001988400000000, 0.0000764600000000, -0.0000601300000000 ] - [ 0.0001389300000000, 0.0000826900000000, -0.0001669800000000 ] - [ -0.0005087400000000, -0.0239493200000000, 0.0512416100000000 ] - [ 0.0038415700000000, -0.0051618300000000, -0.0150740300000000 ] - [ -0.0048191500000000, 0.0011672300000000, -0.0003484300000000 ] - [ -0.0002624800000000, -0.0000206900000000, -0.0000006400000000 ] - [ -0.0000746300000000, -0.0001741700000000, -0.0000995400000000 ] - [ 0.0007694300000000, 0.0001316100000000, 0.0001264000000000 ] - [ -0.0000707900000000, 0.0000187800000000, 0.0000585400000000 ] - [ -0.0004282600000000, 0.0001585000000000, 0.0003938500000000 ] - [ -0.0072171900000000, -0.0011910300000000, -0.0155149600000000 ] - [ -0.0014372800000000, -0.0003055000000000, -0.0013993000000000 ] - [ 0.0003092400000000, -0.0006095600000000, 0.0044612800000000 ] - [ 0.0005943800000000, 0.0005394400000000, 0.0051656200000000 ] - [ -0.0001332700000000, 0.0000555700000000, 0.0001741400000000 ] - [ -0.0003589100000000, 0.0001400300000000, -0.0001468500000000 ] - [ -0.0002250800000000, 0.0001777900000000, -0.0001183100000000 ] - [ -0.0001489300000000, 0.0000369600000000, 0.0002448300000000 ] - [ -0.0003213200000000, 0.0001641700000000, -0.0000820300000000 ] - [ 0.0000348400000000, 0.0000907500000000, 0.0002713800000000 ] - [ 0.0049154400000000, 0.0057610100000000, -0.0043059400000000 ] - [ 0.0003869300000000, -0.0000380600000000, -0.0013624200000000 ] - [ -0.0000556900000000, -0.0001416900000000, -0.0000042300000000 ] - [ 0.0002135400000000, 0.0005936400000000, -0.0000288400000000 ] - [ 0.0002615000000000, -0.0002300800000000, 0.0000971100000000 ] - [ -0.0000902500000000, -0.0010404200000000, 0.0001571200000000 ] - [ -0.0002283600000000, 0.0000365200000000, -0.0000008600000000 ] - [ -0.0023779700000000, 0.0015169100000000, 0.0039879600000000 ] - [ -0.0034764700000000, 0.0083389100000000, 0.0019734000000000 ] - [ 0.0273637500000000, 0.0052356100000000, 0.1104453300000000 ] - [ 0.0040269700000000, -0.0028239000000000, 0.0005107900000000 ] - [ 0.0015421800000000, 0.0012015300000000, 0.0029919300000000 ] - [ -0.0001379800000000, 0.0000079800000000, 0.0001195400000000 ] - [ -0.0002405000000000, 0.0000562000000000, 0.0003509200000000 ] - [ -0.0002748500000000, 0.0000761000000000, -0.0001643200000000 ] - [ -0.0001202200000000, -0.0000035000000000, 0.0000956000000000 ] - [ -0.0112827000000000, 0.0273954200000000, 0.0388874800000000 ] - [ 0.0232997200000000, 0.0026962900000000, 0.0246923900000000 ] - [ -0.0001020700000000, -0.0000540300000000, -0.0001206400000000 ] - [ -0.0001593800000000, 0.0003043600000000, -0.0000077500000000 ] - [ 0.0019651800000000, 0.0051479900000000, 0.0005118200000000 ] - [ -0.0000120500000000, -0.0001619300000000, 0.0000291200000000 ] - [ -0.0003190600000000, -0.0000228800000000, 0.0000684300000000 ] - [ -0.0017076900000000, -0.0011599300000000, 0.0029432200000000 ] - [ -0.0003255900000000, 0.0004872800000000, -0.0002651900000000 ] - [ -0.0001050100000000, 0.0001089800000000, -0.0003655200000000 ] - [ 0.0010380500000000, 0.0002233500000000, -0.0001296300000000 ] - [ -0.0000244500000000, 0.0001273200000000, 0.0000377500000000 ] - [ -0.0002644100000000, -0.0000901500000000, -0.0001240100000000 ] - [ -0.0003408100000000, -0.0000217100000000, -0.0000393000000000 ] - [ 0.0000318100000000, -0.0000502400000000, -0.0000933300000000 ] - [ -0.0013179300000000, -0.0068073500000000, 0.0008429200000000 ] - [ -0.0004031600000000, -0.0003622400000000, -0.0001961500000000 ] - [ -0.0001902800000000, -0.0000731400000000, 0.0002279200000000 ] - [ 0.0004355900000000, -0.0003289100000000, -0.0009644400000000 ] - [ -0.0001782300000000, 0.0000372300000000, 0.0003149500000000 ] - [ -0.0009753800000000, 0.0004016600000000, 0.0003594600000000 ] - [ 0.0003295900000000, -0.0000507700000000, -0.0001109100000000 ] - [ -0.0000121100000000, -0.0005758800000000, 0.0000357200000000 ] - [ 0.0003254600000000, -0.0000978500000000, 0.0000385300000000 ] - [ -0.0000642600000000, 0.0000193400000000, 0.0000753200000000 ] - [ -0.0246329300000000, -0.0449812200000000, 0.0478150100000000 ] - [ -0.0055529500000000, -0.0033776200000000, -0.0067915900000000 ] - [ 0.0002038200000000, -0.0001273300000000, -0.0001521100000000 ] - [ -0.0008689000000000, 0.0006484100000000, -0.0001570300000000 ] - [ 0.0000021900000000, 0.0001300600000000, -0.0002279700000000 ] - [ 0.0000630700000000, -0.0000094300000000, -0.0000371700000000 ] - [ 0.0001319100000000, -0.0010208800000000, -0.0002214600000000 ] - [ -0.0000286000000000, 0.0004376300000000, -0.0010415800000000 ] - [ -0.0000666600000000, -0.0003728300000000, 0.0000895500000000 ] - [ 0.0007860000000000, 0.0000010400000000, 0.0003660800000000 ] - [ 0.0005625500000000, 0.0001914100000000, 0.0002223900000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000766700000000, -0.0000977900000000, 0.0000088000000000 ] - [ -0.0000081500000000, 0.0000921200000000, -0.0001490500000000 ] - [ 0.0000654900000000, -0.0006433300000000, -0.0005016900000000 ] - [ 0.0003686300000000, -0.0006120800000000, -0.0152448100000000 ] - [ -0.0000515200000000, 0.0000596900000000, -0.0000292300000000 ] - [ -0.0011240600000000, -0.0003478200000000, 0.0028685800000000 ] - [ -0.0000047300000000, 0.0000982600000000, -0.0001089600000000 ] - [ -0.0001061900000000, -0.0000762100000000, -0.0001193600000000 ] - [ 0.0000797300000000, -0.0000964900000000, 0.0002403100000000 ] - [ -0.0001889600000000, -0.0000580700000000, -0.0000913800000000 ] - [ -0.0002383500000000, 0.0004569800000000, -0.0003537400000000 ] - [ -0.0001867000000000, 0.0001672600000000, 0.0002097200000000 ] - [ -0.0001253000000000, -0.0000564900000000, 0.0001120600000000 ] - [ -0.0002430700000000, -0.0000278200000000, -0.0001592300000000 ] - [ 0.0004887500000000, 0.0011891900000000, -0.0013108200000000 ] - [ -0.0019213300000000, 0.0008885600000000, 0.0013623300000000 ] - [ 0.0000755100000000, -0.0002704300000000, -0.0000902600000000 ] - [ -0.0072709600000000, -0.0160406700000000, -0.0434893300000000 ] - [ 0.0071359400000000, -0.0160368600000000, 0.2993223900000000 ] - [ 0.0005205700000000, -0.0011579800000000, -0.0038745300000000 ] - [ -0.0002237700000000, 0.0009848800000000, 0.0000871200000000 ] - [ 0.0002478400000000, 0.0005456600000000, -0.0000738500000000 ] - [ -0.0001455400000000, -0.0000570900000000, -0.0000616200000000 ] - [ 0.0000680200000000, 0.0000956200000000, -0.0003560200000000 ] - [ 0.0000754900000000, 0.0002471500000000, 0.0000416400000000 ] - [ -0.0000615600000000, -0.0003180600000000, 0.0001845500000000 ] - [ 0.0001143200000000, 0.0000914400000000, 0.0001011100000000 ] - [ 0.0006366800000000, -0.0005721200000000, 0.0012214500000000 ] - [ -0.0001661100000000, -0.0001281200000000, 0.0001002900000000 ] - [ -0.0002650000000000, 0.0001024800000000, -0.0001940200000000 ] - [ 0.0005494200000000, 0.0002250400000000, 0.0001074900000000 ] - [ 0.0003344600000000, -0.0003149700000000, 0.0000750100000000 ] - [ 0.0000397200000000, -0.0000951600000000, -0.0000198100000000 ] - [ 0.0002532400000000, -0.0002877200000000, -0.0002116300000000 ] - [ 0.0010461000000000, 0.0236456400000000, -0.0514206200000000 ] - [ -0.0034807400000000, 0.0052499500000000, 0.0152721800000000 ] - [ 0.0041645000000000, -0.0012695300000000, 0.0002447600000000 ] - [ 0.0001176700000000, -0.0004293700000000, 0.0000752600000000 ] - [ -0.0005209900000000, -0.0000835000000000, -0.0001050600000000 ] - [ -0.0003700800000000, -0.0003449100000000, 0.0001693100000000 ] - [ -0.0001348000000000, 0.0000315500000000, 0.0000454600000000 ] - [ -0.0001479200000000, -0.0000445600000000, -0.0005012600000000 ] - [ 0.0073646600000000, 0.0012653800000000, 0.0153260300000000 ] - [ 0.0012236900000000, 0.0008547500000000, 0.0013365100000000 ] - [ -0.0005436500000000, 0.0005809100000000, -0.0044930300000000 ] - [ -0.0008337100000000, -0.0010992400000000, -0.0051975100000000 ] - [ -0.0002528700000000, 0.0001556600000000, 0.0001292000000000 ] - [ -0.0002393700000000, 0.0001171600000000, -0.0000578400000000 ] - [ -0.0002734700000000, 0.0000530500000000, -0.0001306900000000 ] - [ -0.0001379400000000, 0.0001642300000000, 0.0002335500000000 ] - [ -0.0002805700000000, -0.0000224000000000, -0.0000835500000000 ] - [ 0.0002492900000000, 0.0001101600000000, 0.0002070300000000 ] - [ -0.0043400000000000, -0.0058008300000000, 0.0041702400000000 ] - [ -0.0005177600000000, 0.0001782300000000, 0.0012887300000000 ] - [ -0.0000186900000000, -0.0001079200000000, 0.0000768600000000 ] - [ -0.0003267100000000, -0.0007575600000000, -0.0000209500000000 ] - [ 0.0001537400000000, 0.0001778800000000, -0.0000976800000000 ] - [ 0.0001653800000000, 0.0007840400000000, -0.0000827000000000 ] - [ -0.0001870900000000, 0.0000150200000000, -0.0000003300000000 ] - [ 0.0025697500000000, -0.0015539400000000, -0.0038065500000000 ] - [ 0.0035554100000000, -0.0083185600000000, -0.0022215400000000 ] - [ -0.0245390400000000, -0.0047244600000000, -0.1013257800000000 ] - [ -0.0041027000000000, 0.0028709500000000, -0.0007075400000000 ] - [ -0.0014942200000000, -0.0014561100000000, -0.0029049100000000 ] - [ -0.0000650800000000, 0.0007042400000000, 0.0000487200000000 ] - [ -0.0001314400000000, -0.0001317600000000, 0.0002832400000000 ] - [ -0.0003257700000000, -0.0002191900000000, -0.0000020300000000 ] - [ -0.0000711500000000, -0.0000497400000000, 0.0000734600000000 ] - [ 0.0125649000000000, -0.0286238800000000, -0.0390048800000000 ] - [ -0.0212998900000000, -0.0032323600000000, -0.0246425800000000 ] - [ -0.0000133500000000, -0.0000187300000000, -0.0000803600000000 ] - [ 0.0002012000000000, -0.0000459900000000, 0.0000788200000000 ] - [ -0.0015757800000000, -0.0051821600000000, 0.0001270300000000 ] - [ -0.0000319000000000, -0.0000937700000000, 0.0000420000000000 ] - [ -0.0002521200000000, 0.0000045600000000, 0.0000574300000000 ] - [ 0.0023162200000000, 0.0012894300000000, -0.0030910100000000 ] - [ -0.0004210400000000, 0.0002416700000000, -0.0001103200000000 ] - [ 0.0002886800000000, -0.0000542400000000, 0.0005310700000000 ] - [ -0.0002882000000000, 0.0005030400000000, -0.0002435200000000 ] - [ -0.0000501100000000, 0.0001221500000000, 0.0000356100000000 ] - [ -0.0002343600000000, -0.0001400700000000, -0.0001250600000000 ] - [ -0.0001704700000000, -0.0000821100000000, -0.0000592600000000 ] - [ 0.0000833200000000, 0.0001232600000000, -0.0001071000000000 ] - [ 0.0015916000000000, 0.0065236600000000, -0.0003955100000000 ] - [ -0.0003441100000000, -0.0003656500000000, -0.0001782000000000 ] - [ -0.0000971000000000, -0.0001290200000000, 0.0002499700000000 ] - [ -0.0000987200000000, 0.0004129500000000, 0.0015749100000000 ] - [ -0.0001929000000000, 0.0000398700000000, 0.0003185300000000 ] - [ 0.0011679600000000, -0.0011185400000000, -0.0001960300000000 ] - [ 0.0001806800000000, 0.0001544800000000, 0.0000116100000000 ] - [ -0.0004022900000000, 0.0005184200000000, -0.0000365400000000 ] - [ 0.0002455000000000, 0.0001160600000000, 0.0000870000000000 ] - [ -0.0001269600000000, 0.0000347500000000, 0.0000934900000000 ] - [ 0.0258602000000000, 0.0463131000000000, -0.0482254100000000 ] - [ 0.0055986700000000, 0.0036089600000000, 0.0067967300000000 ] - [ 0.0002925400000000, 0.0003592800000000, -0.0000970100000000 ] - [ 0.0002909700000000, -0.0006241300000000, 0.0002810200000000 ] - [ 0.0002036700000000, 0.0005850200000000, 0.0003906300000000 ] - [ 0.0000519700000000, 0.0001774600000000, -0.0000130000000000 ] - [ 0.0004662700000000, 0.0008671700000000, 0.0000544100000000 ] - [ -0.0000162900000000, -0.0001783200000000, 0.0011012100000000 ] - [ -0.0001354500000000, -0.0003457400000000, 0.0000770400000000 ] - [ -0.0006581200000000, -0.0001673800000000, -0.0004112100000000 ] - [ -0.0010688100000000, -0.0000874600000000, -0.0003159700000000 ]- atom: 20 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0034702600000000, 0.0023325500000000, 0.0000804800000000 ] - [ 0.0003211600000000, -0.0000533600000000, -0.0000056200000000 ] - [ 0.0260518100000000, -0.0139805700000000, -0.0001646800000000 ] - [ 0.0002054000000000, 0.0076850000000000, 0.0000515900000000 ] - [ -0.0056606800000000, -0.0154695900000000, 0.0018637800000000 ] - [ -0.0002182800000000, 0.0003806800000000, -0.0000457900000000 ] - [ 0.0002459900000000, 0.0002194400000000, -0.0001408300000000 ] - [ -0.0009698400000000, -0.0001058400000000, -0.0000743900000000 ] - [ 0.0267966400000000, 0.0059662800000000, 0.0155515900000000 ] - [ 0.0008670800000000, -0.0001742400000000, -0.0004326600000000 ] - [ 0.0248765600000000, 0.0055891800000000, -0.0157694900000000 ] - [ -0.0003755600000000, 0.0000820600000000, 0.0001702700000000 ] - [ 0.0009482400000000, -0.0001187100000000, 0.0004534500000000 ] - [ -0.0004348900000000, 0.0000813100000000, -0.0001523600000000 ] - [ 0.0007958600000000, -0.0010315700000000, 0.0003876600000000 ] - [ 0.0008650700000000, -0.0008235400000000, -0.0003400400000000 ] - [ -0.0034612100000000, 0.0040271500000000, 0.0012016000000000 ] - [ -0.0007236500000000, -0.0047346300000000, -0.0005605700000000 ] - [ -0.0019763100000000, 0.0005873100000000, -0.0001704100000000 ] - [ -0.4160784100000000, 0.0490274800000000, -0.0035339200000000 ] - [ 0.0016824400000000, 0.0013149000000000, -0.0004444200000000 ] - [ 0.0004116400000000, 0.0004627200000000, -0.0000485300000000 ] - [ 0.0027482400000000, -0.0018107700000000, 0.0007627800000000 ] - [ 0.0001978400000000, 0.0002981800000000, 0.0001120400000000 ] - [ 0.0007880200000000, -0.0005123700000000, -0.0000381800000000 ] - [ -0.0001979200000000, 0.0004832500000000, 0.0001016800000000 ] - [ -0.0112717000000000, 0.0070387300000000, -0.0012419100000000 ] - [ 0.0000438900000000, 0.0000466300000000, -0.0001676500000000 ] - [ 0.0006739300000000, 0.0005882700000000, 0.0003723700000000 ] - [ -0.0015453300000000, -0.0029773500000000, 0.0001054900000000 ] - [ 0.0007014800000000, 0.0003956000000000, -0.0001070100000000 ] - [ 0.0118862400000000, -0.0011030000000000, 0.0005748000000000 ] - [ 0.0115334600000000, -0.0071491400000000, 0.0009356400000000 ] - [ 0.0098304800000000, -0.0013475800000000, -0.0002542000000000 ] - [ -0.0005354800000000, -0.0001115000000000, 0.0002427800000000 ] - [ -0.0296430800000000, -0.0000029500000000, 0.0001686000000000 ] - [ -0.0005356700000000, 0.0006308500000000, -0.0000798400000000 ] - [ 0.0119772500000000, 0.0008724400000000, 0.0004904400000000 ] - [ -0.0003939600000000, -0.0002300300000000, -0.0001363800000000 ] - [ 0.0032309500000000, 0.0000182700000000, 0.0009513400000000 ] - [ -0.0017840500000000, -0.0019697400000000, -0.0001706900000000 ] - [ 0.0142512000000000, 0.0237504000000000, 0.0055009500000000 ] - [ -0.0002685400000000, -0.0002016300000000, -0.0001634900000000 ] - [ 0.0170145600000000, 0.0020219400000000, -0.0107750800000000 ] - [ -0.0002484200000000, -0.0000785400000000, -0.0000095600000000 ] - [ 0.0005393500000000, 0.0005807100000000, 0.0000539500000000 ] - [ -0.0003405900000000, -0.0002587400000000, 0.0000558300000000 ] - [ 0.0009059300000000, 0.0015257900000000, -0.0002605800000000 ] - [ -0.0004792800000000, -0.0004515900000000, -0.0001670500000000 ] - [ -0.0003092800000000, -0.0007537000000000, 0.0003146400000000 ] - [ 0.0010948200000000, -0.0026846900000000, 0.0000596500000000 ] - [ -0.0029578500000000, -0.0018841500000000, -0.0009263400000000 ] - [ 0.0008600800000000, -0.0001786700000000, -0.0001316900000000 ] - [ -0.0002457000000000, -0.0004493900000000, -0.0000887800000000 ] - [ 0.0002967900000000, -0.0003258800000000, 0.0000217200000000 ] - [ 0.0007334500000000, -0.0099142400000000, 0.0031338400000000 ] - [ -0.0070108900000000, 0.0016233400000000, -0.0016851300000000 ] - [ -0.0177888100000000, -0.0072329000000000, -0.0000572800000000 ] - [ 0.0001991400000000, 0.0012391900000000, -0.0002759700000000 ] - [ 0.0067387100000000, -0.0101902400000000, 0.0009181300000000 ] - [ 0.0001895200000000, 0.0001714500000000, -0.0001798500000000 ] - [ 0.0017413800000000, 0.0025722800000000, 0.0001183000000000 ] - [ -0.0000112400000000, 0.0000913300000000, -0.0000519000000000 ] - [ 0.0001108000000000, 0.0003332100000000, 0.0001596200000000 ] - [ 0.0000739200000000, 0.0002739500000000, 0.0000974500000000 ] - [ -0.0002450600000000, 0.0000248400000000, 0.0003291900000000 ] - [ -0.0003984900000000, -0.0001790400000000, -0.0000969200000000 ] - [ 0.0001590300000000, 0.0000943400000000, 0.0001283800000000 ] - [ 0.0007769600000000, 0.0000062100000000, 0.0000243800000000 ] - [ 0.0012197700000000, -0.0018484700000000, 0.0001053200000000 ] - [ -0.0018938600000000, 0.0030781300000000, -0.0009665000000000 ] - [ -0.0125868000000000, 0.0052505000000000, -0.0006954500000000 ] - [ 0.0526748700000000, 0.0026846000000000, 0.0425679100000000 ] - [ -0.0020787500000000, 0.0007733400000000, 0.0000166300000000 ] - [ -0.0009590700000000, 0.0023993100000000, -0.0002843500000000 ] - [ -0.0000533300000000, -0.0006787700000000, -0.0000330300000000 ] - [ -0.0007299600000000, 0.0001954400000000, -0.0001997300000000 ] - [ -0.0019747500000000, 0.0011086700000000, 0.0000052000000000 ] - [ -0.0115771100000000, 0.0020000900000000, 0.0012239900000000 ] - [ -0.0009027900000000, 0.0002602200000000, 0.0000576300000000 ] - [ -0.0001069700000000, 0.0006150700000000, -0.0000863300000000 ] - [ 0.0062211000000000, 0.0017113600000000, 0.0006434600000000 ] - [ -0.0052332500000000, 0.0009593300000000, 0.0014611000000000 ] - [ 0.0338048400000000, -0.0063457400000000, -0.0056715000000000 ] - [ 0.0032134100000000, 0.0001809600000000, -0.0001980100000000 ] - [ -0.0002205700000000, 0.0001463000000000, 0.0002475800000000 ] - [ -0.0010404600000000, -0.0003641100000000, 0.0004813500000000 ] - [ -0.0005904900000000, -0.0018205600000000, 0.0000724200000000 ] - [ -0.0013230700000000, -0.0003683200000000, 0.0001491000000000 ] - [ -0.0102511100000000, -0.0020773000000000, -0.0002309400000000 ] - [ -0.0003347600000000, -0.0003426300000000, 0.0000059200000000 ] - [ -0.0073227600000000, -0.0000976300000000, -0.0016071000000000 ] - [ -0.0007937100000000, 0.0000626200000000, 0.0000729700000000 ] - [ 0.0052107500000000, 0.0015804100000000, -0.0009421700000000 ] - [ 0.0011442300000000, 0.0024276900000000, 0.0013238400000000 ] - [ -0.0052546200000000, 0.0011266500000000, 0.0013862400000000 ] - [ -0.0003487000000000, -0.0000955100000000, 0.0000781100000000 ] - [ 0.2135325300000000, -0.0699122900000000, -0.0055403600000000 ] - [ 0.0044290400000000, -0.0112012400000000, -0.0004020100000000 ] - [ 0.0650872100000000, 0.0363522000000000, -0.0296049600000000 ] - [ 0.0001488900000000, 0.0001442500000000, 0.0000220500000000 ] - [ -0.0011064200000000, -0.0013561700000000, 0.0000772200000000 ] - [ -0.0000931400000000, -0.0004297300000000, -0.0000274800000000 ] - [ -0.0006355600000000, -0.0000660700000000, -0.0000533400000000 ]- atom: 20 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0034803800000000, -0.0024574500000000, -0.0000987800000000 ] - [ -0.0003219400000000, -0.0000799500000000, -0.0000146400000000 ] - [ -0.0254799900000000, 0.0139241300000000, -0.0000884000000000 ] - [ -0.0000403400000000, -0.0078702100000000, -0.0003017200000000 ] - [ 0.0056870800000000, 0.0155359000000000, -0.0018685900000000 ] - [ 0.0002200200000000, -0.0002503300000000, 0.0000258400000000 ] - [ -0.0004045300000000, -0.0000731100000000, -0.0001112400000000 ] - [ 0.0008117900000000, -0.0000423800000000, -0.0001769800000000 ] - [ -0.0266152500000000, -0.0057509200000000, -0.0157452600000000 ] - [ -0.0012894400000000, 0.0000805300000000, 0.0002671200000000 ] - [ -0.0247944100000000, -0.0053600000000000, 0.0160007300000000 ] - [ 0.0000821500000000, 0.0000096500000000, 0.0000354700000000 ] - [ -0.0012423300000000, 0.0000283900000000, -0.0002495700000000 ] - [ 0.0000132800000000, 0.0000134500000000, -0.0000147400000000 ] - [ -0.0005079100000000, 0.0009367400000000, -0.0001822500000000 ] - [ -0.0004504100000000, 0.0007244600000000, 0.0001731100000000 ] - [ 0.0036665700000000, -0.0045809900000000, -0.0012472800000000 ] - [ 0.0005191600000000, 0.0052350400000000, 0.0006374100000000 ] - [ 0.0022127300000000, -0.0005208600000000, 0.0002794600000000 ] - [ 0.4273356000000000, -0.0579288300000000, 0.0038267700000000 ] - [ -0.0010837400000000, -0.0010694700000000, 0.0002407200000000 ] - [ -0.0001993500000000, 0.0000883800000000, -0.0000009500000000 ] - [ -0.0029774700000000, 0.0018321800000000, -0.0008414800000000 ] - [ -0.0004095900000000, -0.0003494800000000, -0.0000078400000000 ] - [ -0.0006420600000000, 0.0009604600000000, 0.0001123400000000 ] - [ 0.0003416200000000, -0.0009318700000000, -0.0000278600000000 ] - [ 0.0118571100000000, -0.0071638400000000, 0.0011257200000000 ] - [ -0.0004389700000000, -0.0002532100000000, -0.0002109300000000 ] - [ -0.0010644900000000, -0.0008005500000000, -0.0000696200000000 ] - [ 0.0011569400000000, 0.0031842800000000, -0.0004839100000000 ] - [ -0.0001222200000000, -0.0002857100000000, -0.0000044100000000 ] - [ -0.0116545700000000, 0.0010580400000000, -0.0004742200000000 ] - [ -0.0112991000000000, 0.0071523700000000, -0.0010190900000000 ] - [ -0.0094380300000000, 0.0011612300000000, -0.0001232500000000 ] - [ 0.0009302800000000, 0.0003290100000000, -0.0006257100000000 ] - [ 0.0302614900000000, 0.0002707200000000, 0.0001087600000000 ] - [ -0.0000373000000000, -0.0007475000000000, -0.0000314300000000 ] - [ -0.0121411600000000, -0.0013371500000000, -0.0004196800000000 ] - [ -0.0002031600000000, -0.0000270900000000, -0.0000669300000000 ] - [ -0.0028435600000000, -0.0002444500000000, -0.0006472700000000 ] - [ 0.0015778500000000, 0.0020184700000000, 0.0002753300000000 ] - [ -0.0148248700000000, -0.0235367400000000, -0.0056582600000000 ] - [ 0.0004957000000000, 0.0002180300000000, 0.0000834200000000 ] - [ -0.0172975800000000, -0.0013639300000000, 0.0107527800000000 ] - [ 0.0000107400000000, 0.0000630800000000, -0.0000717300000000 ] - [ -0.0007450700000000, -0.0011405200000000, -0.0001027200000000 ] - [ -0.0000473900000000, 0.0004704800000000, 0.0002465900000000 ] - [ -0.0015083100000000, -0.0012708700000000, 0.0000559200000000 ] - [ -0.0000210300000000, 0.0006827900000000, -0.0000824500000000 ] - [ 0.0000230200000000, 0.0009565200000000, 0.0001640200000000 ] - [ -0.0016940500000000, 0.0028319900000000, -0.0002244800000000 ] - [ 0.0032469700000000, 0.0020952900000000, 0.0014026000000000 ] - [ -0.0003574100000000, 0.0000757000000000, 0.0000336100000000 ] - [ 0.0001287700000000, 0.0006216500000000, 0.0000393800000000 ] - [ -0.0003663500000000, 0.0000757500000000, 0.0000514600000000 ] - [ -0.0008300700000000, 0.0097664300000000, -0.0032031700000000 ] - [ 0.0074249300000000, -0.0016855100000000, 0.0016844000000000 ] - [ 0.0179134300000000, 0.0069468000000000, 0.0001334100000000 ] - [ -0.0006181800000000, -0.0011859800000000, 0.0002761200000000 ] - [ -0.0065568800000000, 0.0101627000000000, -0.0007522300000000 ] - [ -0.0000685100000000, -0.0002471000000000, -0.0000214100000000 ] - [ -0.0013371800000000, -0.0025619200000000, -0.0001157900000000 ] - [ -0.0001031200000000, -0.0000195900000000, -0.0001485100000000 ] - [ -0.0000666500000000, -0.0005844400000000, -0.0000895900000000 ] - [ -0.0002804600000000, 0.0004420500000000, 0.0000683600000000 ] - [ -0.0001264400000000, -0.0001020800000000, 0.0003035700000000 ] - [ -0.0002024700000000, 0.0000383100000000, -0.0000680000000000 ] - [ -0.0003582100000000, -0.0001487300000000, 0.0000402500000000 ] - [ -0.0002029600000000, -0.0000320500000000, 0.0001008700000000 ] - [ -0.0004853200000000, 0.0011270900000000, -0.0004803700000000 ] - [ 0.0017727000000000, -0.0031561500000000, 0.0007705000000000 ] - [ 0.0126482100000000, -0.0050388400000000, 0.0007711500000000 ] - [ -0.0525339200000000, -0.0028066800000000, -0.0414528400000000 ] - [ 0.0020414500000000, -0.0010334600000000, 0.0000536900000000 ] - [ 0.0003829900000000, -0.0024192300000000, 0.0004100900000000 ] - [ 0.0006498500000000, 0.0008269900000000, -0.0001313200000000 ] - [ -0.0000188600000000, 0.0005327600000000, -0.0001740800000000 ] - [ 0.0021786600000000, -0.0010427300000000, 0.0001643300000000 ] - [ 0.0123239300000000, -0.0012959400000000, -0.0016076800000000 ] - [ 0.0008320100000000, -0.0000104200000000, 0.0000154700000000 ] - [ -0.0003949300000000, -0.0008455000000000, -0.0001636600000000 ] - [ -0.0067403300000000, -0.0018096700000000, -0.0007429400000000 ] - [ 0.0053472600000000, -0.0008966100000000, -0.0016648100000000 ] - [ -0.0337119000000000, 0.0066805100000000, 0.0064856500000000 ] - [ -0.0039653700000000, -0.0009032500000000, -0.0001756300000000 ] - [ -0.0000676000000000, -0.0003478000000000, 0.0002310400000000 ] - [ 0.0014080300000000, 0.0004510400000000, 0.0001516000000000 ] - [ 0.0002217700000000, 0.0019000000000000, 0.0005597900000000 ] - [ 0.0015329400000000, -0.0003429800000000, 0.0000172300000000 ] - [ 0.0107917000000000, 0.0021570400000000, 0.0001463700000000 ] - [ -0.0000822900000000, 0.0002896800000000, -0.0000061300000000 ] - [ 0.0078935900000000, 0.0001018500000000, 0.0017365700000000 ] - [ 0.0005964300000000, -0.0000083800000000, 0.0000956400000000 ] - [ -0.0047458800000000, -0.0018441500000000, 0.0006826500000000 ] - [ -0.0010479500000000, -0.0021636000000000, -0.0012496300000000 ] - [ 0.0057575800000000, -0.0008903000000000, -0.0016398500000000 ] - [ -0.0002223500000000, 0.0001140600000000, 0.0000475100000000 ] - [ -0.2257581700000000, 0.0762794500000000, 0.0061734700000000 ] - [ -0.0043194100000000, 0.0113692000000000, 0.0003516700000000 ] - [ -0.0624558600000000, -0.0341396100000000, 0.0277024800000000 ] - [ -0.0001860700000000, 0.0001113100000000, 0.0000490000000000 ] - [ 0.0009022100000000, 0.0006387300000000, 0.0000887300000000 ] - [ 0.0002076100000000, 0.0002627500000000, -0.0000226600000000 ] - [ 0.0001249600000000, 0.0001666700000000, -0.0000461800000000 ]- atom: 20 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0022248700000000, 0.0009185000000000, -0.0000525400000000 ] - [ -0.0004628700000000, 0.0021132600000000, 0.0000652200000000 ] - [ -0.0151603700000000, -0.0111716200000000, -0.0006245100000000 ] - [ 0.0079296100000000, -0.0015717600000000, -0.0002471000000000 ] - [ -0.0101635600000000, 0.0150933700000000, -0.0010276500000000 ] - [ 0.0006288500000000, 0.0032224000000000, -0.0001001200000000 ] - [ -0.0001156200000000, 0.0026782800000000, -0.0000978300000000 ] - [ -0.0001918400000000, 0.0030573700000000, -0.0001749100000000 ] - [ -0.0007298500000000, -0.0104063200000000, -0.0079453200000000 ] - [ -0.0000342900000000, 0.0014643000000000, -0.0000998600000000 ] - [ -0.0020314000000000, -0.0094590200000000, 0.0079103500000000 ] - [ 0.0001099800000000, 0.0022456500000000, 0.0004257500000000 ] - [ 0.0000283600000000, 0.0014418700000000, 0.0001495500000000 ] - [ 0.0000277000000000, 0.0022376400000000, -0.0004207500000000 ] - [ -0.0040184600000000, 0.0008157100000000, -0.0023781100000000 ] - [ -0.0042985200000000, 0.0010963900000000, 0.0025269600000000 ] - [ -0.0004476200000000, 0.0050383300000000, 0.0004484400000000 ] - [ -0.0090666700000000, 0.0366121600000000, -0.0077977200000000 ] - [ 0.0067512800000000, 0.0085404100000000, 0.0010991900000000 ] - [ 0.0528798100000000, -0.3041107500000000, 0.0073408700000000 ] - [ -0.0008909800000000, -0.0027234900000000, 0.0005987600000000 ] - [ 0.0000107700000000, 0.0031669800000000, 0.0000613800000000 ] - [ -0.0009716000000000, 0.0003797200000000, 0.0000580800000000 ] - [ 0.0000207700000000, 0.0032955200000000, 0.0000408700000000 ] - [ -0.0002307700000000, 0.0035590800000000, -0.0000644300000000 ] - [ 0.0000809100000000, 0.0035830000000000, 0.0001452700000000 ] - [ -0.0022979700000000, 0.0070766700000000, -0.0009406100000000 ] - [ -0.0008324000000000, 0.0031488800000000, -0.0002650900000000 ] - [ 0.0005411400000000, 0.0033715600000000, 0.0001976400000000 ] - [ -0.0034755000000000, 0.0022239500000000, -0.0005363800000000 ] - [ 0.0004422600000000, 0.0026540600000000, -0.0000261100000000 ] - [ 0.0038571700000000, -0.0047260900000000, 0.0009060700000000 ] - [ -0.0000095700000000, -0.0009139000000000, -0.0000269900000000 ] - [ 0.0051173400000000, -0.0047286300000000, -0.0005568100000000 ] - [ 0.0014598000000000, 0.0067917500000000, -0.0011243000000000 ] - [ 0.0159153600000000, -0.0084130900000000, 0.0211880300000000 ] - [ 0.0021860500000000, 0.0017677100000000, 0.0001780500000000 ] - [ 0.0001894700000000, -0.0053689600000000, -0.0002391700000000 ] - [ -0.0001981300000000, 0.0028967000000000, 0.0000050300000000 ] - [ -0.0019362800000000, -0.0054079400000000, 0.0006331800000000 ] - [ -0.0016010300000000, 0.0028927900000000, 0.0000074900000000 ] - [ 0.0159066000000000, 0.0197322700000000, 0.0024458600000000 ] - [ -0.0016781300000000, 0.0038077600000000, 0.0001555200000000 ] - [ 0.0012290400000000, -0.0241115900000000, -0.0166143800000000 ] - [ -0.0005439700000000, 0.0041084000000000, -0.0004944800000000 ] - [ 0.0035035000000000, 0.0005426300000000, 0.0001232400000000 ] - [ -0.0002829500000000, 0.0032313200000000, 0.0003057900000000 ] - [ 0.0011031100000000, 0.0037966200000000, -0.0002885100000000 ] - [ -0.0006023700000000, -0.0031375500000000, -0.0000531100000000 ] - [ -0.0002957700000000, -0.0032835600000000, 0.0001968200000000 ] - [ -0.0010612200000000, -0.0036387000000000, 0.0001308200000000 ] - [ 0.0008581200000000, 0.0047258600000000, 0.0010054700000000 ] - [ -0.0024711400000000, -0.0026133500000000, 0.0000734000000000 ] - [ -0.0014325800000000, -0.0018154600000000, 0.0001452900000000 ] - [ 0.0003646200000000, -0.0024794100000000, 0.0000138200000000 ] - [ -0.0035430800000000, -0.0023918600000000, -0.0014611500000000 ] - [ -0.0008629700000000, 0.0046020700000000, -0.0004176400000000 ] - [ 0.0061856400000000, 0.0076907500000000, -0.0004312800000000 ] - [ 0.0009273400000000, -0.0025496900000000, -0.0001153800000000 ] - [ -0.0126902000000000, 0.0130130000000000, -0.0055599800000000 ] - [ 0.0014332900000000, -0.0039799500000000, 0.0003589500000000 ] - [ -0.0028527600000000, -0.0108507200000000, 0.0000085700000000 ] - [ 0.0011001100000000, -0.0028316300000000, -0.0004680400000000 ] - [ 0.0015839500000000, -0.0020234000000000, 0.0001337300000000 ] - [ -0.0002283800000000, -0.0020731300000000, 0.0000936800000000 ] - [ 0.0005326700000000, -0.0023020900000000, 0.0004237400000000 ] - [ 0.0002127700000000, -0.0024938700000000, -0.0001797600000000 ] - [ -0.0007012600000000, -0.0024209800000000, 0.0000950600000000 ] - [ 0.0006000400000000, -0.0043096100000000, -0.0003376900000000 ] - [ -0.0046594500000000, -0.0022722700000000, -0.0003908300000000 ] - [ 0.0008854400000000, 0.0001388600000000, -0.0003466800000000 ] - [ 0.0006289800000000, 0.0046843800000000, 0.0005140800000000 ] - [ 0.0017014800000000, 0.0528258600000000, -0.0215094100000000 ] - [ 0.0002615300000000, -0.0015749100000000, 0.0000887200000000 ] - [ 0.0011149600000000, -0.0016489400000000, -0.0001887100000000 ] - [ -0.0006926000000000, -0.0000636700000000, 0.0000918700000000 ] - [ -0.0006905200000000, -0.0015982500000000, -0.0003127800000000 ] - [ 0.0038627500000000, 0.0026045800000000, -0.0001830300000000 ] - [ -0.0042494800000000, 0.0082956700000000, 0.0061153200000000 ] - [ -0.0003344200000000, -0.0017280900000000, 0.0000754700000000 ] - [ 0.0002093500000000, -0.0030668200000000, -0.0001777400000000 ] - [ 0.0030349600000000, -0.0029018300000000, -0.0000205400000000 ] - [ -0.0006614400000000, 0.0008343400000000, 0.0001720000000000 ] - [ -0.0090419400000000, 0.1028186400000000, 0.0304255500000000 ] - [ 0.0011990100000000, -0.0030782800000000, -0.0000460900000000 ] - [ -0.0002594400000000, -0.0031038300000000, 0.0002631400000000 ] - [ -0.0005400700000000, 0.0018880600000000, 0.0003720900000000 ] - [ -0.0015483500000000, -0.0032969300000000, 0.0002382400000000 ] - [ 0.0036174300000000, -0.0008795800000000, -0.0001648200000000 ] - [ -0.0081881600000000, -0.0009785100000000, -0.0006173200000000 ] - [ -0.0005039000000000, -0.0030216000000000, 0.0000350200000000 ] - [ -0.0005061900000000, 0.0022568900000000, -0.0008937400000000 ] - [ 0.0000469400000000, -0.0019077900000000, 0.0000784900000000 ] - [ -0.0039119900000000, -0.0076244700000000, 0.0007931200000000 ] - [ 0.0102936800000000, -0.0062593200000000, 0.0027767000000000 ] - [ 0.0001092800000000, 0.0053904700000000, -0.0004817700000000 ] - [ 0.0005378700000000, -0.0026188500000000, 0.0003284600000000 ] - [ -0.0762038800000000, 0.0614766700000000, 0.0022874800000000 ] - [ 0.0003245000000000, -0.0067286900000000, 0.0000140900000000 ] - [ 0.0394146300000000, 0.0700335000000000, -0.0179273800000000 ] - [ -0.0009604000000000, -0.0030080300000000, 0.0001076600000000 ] - [ -0.0008235300000000, -0.0021808400000000, 0.0000935700000000 ] - [ -0.0006977700000000, -0.0024653500000000, -0.0001169900000000 ] - [ -0.0002994700000000, -0.0015676400000000, -0.0000214800000000 ]- atom: 20 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0022169400000000, -0.0010637700000000, 0.0000348800000000 ] - [ 0.0004638900000000, -0.0022413400000000, -0.0000852700000000 ] - [ 0.0152779300000000, 0.0113968900000000, 0.0003779900000000 ] - [ -0.0077923300000000, 0.0014292900000000, -0.0000052600000000 ] - [ 0.0100133100000000, -0.0147719900000000, 0.0009871600000000 ] - [ -0.0006302900000000, -0.0030903100000000, 0.0000804500000000 ] - [ -0.0000431800000000, -0.0025307400000000, -0.0001537500000000 ] - [ 0.0000323900000000, -0.0032002900000000, -0.0000761200000000 ] - [ 0.0011652800000000, 0.0105146600000000, 0.0077753200000000 ] - [ -0.0003856500000000, -0.0015606500000000, -0.0000688000000000 ] - [ 0.0023505000000000, 0.0095597100000000, -0.0077079800000000 ] - [ -0.0004032300000000, -0.0021533000000000, -0.0002201500000000 ] - [ -0.0003202100000000, -0.0015351400000000, 0.0000574500000000 ] - [ -0.0004491400000000, -0.0021421400000000, 0.0002536500000000 ] - [ 0.0043224700000000, -0.0009021000000000, 0.0025939900000000 ] - [ 0.0047272500000000, -0.0011853300000000, -0.0027037000000000 ] - [ 0.0006548800000000, -0.0055819000000000, -0.0004995200000000 ] - [ 0.0089830200000000, -0.0364743700000000, 0.0077555800000000 ] - [ -0.0065679500000000, -0.0085116000000000, -0.0009833200000000 ] - [ -0.0539831700000000, 0.3087797500000000, -0.0016818800000000 ] - [ 0.0014932200000000, 0.0029914100000000, -0.0008039700000000 ] - [ 0.0001980200000000, -0.0026127800000000, -0.0001114400000000 ] - [ 0.0007265700000000, -0.0003759200000000, -0.0001373800000000 ] - [ -0.0002283800000000, -0.0033443400000000, 0.0000634600000000 ] - [ 0.0003723600000000, -0.0031092500000000, 0.0001379400000000 ] - [ 0.0000635400000000, -0.0040280100000000, -0.0000710900000000 ] - [ 0.0028579000000000, -0.0071593300000000, 0.0008408900000000 ] - [ 0.0004411100000000, -0.0033529900000000, -0.0001130600000000 ] - [ -0.0009254100000000, -0.0035799800000000, 0.0001055000000000 ] - [ 0.0030661500000000, -0.0020216400000000, 0.0001528700000000 ] - [ 0.0001371300000000, -0.0025393200000000, -0.0000858600000000 ] - [ -0.0036546200000000, 0.0046757200000000, -0.0008006200000000 ] - [ 0.0002454400000000, 0.0008772800000000, -0.0000523200000000 ] - [ -0.0047314700000000, 0.0045199400000000, 0.0001823600000000 ] - [ -0.0010751400000000, -0.0065878500000000, 0.0007414600000000 ] - [ -0.0155266400000000, 0.0087690300000000, -0.0208334100000000 ] - [ -0.0027650700000000, -0.0018757800000000, -0.0002900700000000 ] - [ -0.0003316200000000, 0.0049221400000000, 0.0003152600000000 ] - [ -0.0004011400000000, -0.0031516500000000, -0.0002088300000000 ] - [ 0.0023262500000000, 0.0052054900000000, -0.0003297400000000 ] - [ 0.0013868600000000, -0.0028399000000000, 0.0000977600000000 ] - [ -0.0163055200000000, -0.0195804100000000, -0.0026500700000000 ] - [ 0.0019169800000000, -0.0037900100000000, -0.0002336200000000 ] - [ -0.0014653900000000, 0.0245434600000000, 0.0165922600000000 ] - [ 0.0003085900000000, -0.0041248200000000, 0.0004141900000000 ] - [ -0.0037172200000000, -0.0010884300000000, -0.0001733900000000 ] - [ -0.0001059800000000, -0.0030174600000000, -0.0000027500000000 ] - [ -0.0016934900000000, -0.0035357900000000, 0.0000851500000000 ] - [ 0.0001009100000000, 0.0033662100000000, -0.0001967100000000 ] - [ 0.0000066000000000, 0.0034829900000000, 0.0002814500000000 ] - [ 0.0004587600000000, 0.0037718400000000, -0.0002950500000000 ] - [ -0.0005737600000000, -0.0045349300000000, -0.0005300400000000 ] - [ 0.0029827800000000, 0.0025080400000000, -0.0001707600000000 ] - [ 0.0013179200000000, 0.0019816500000000, -0.0001952900000000 ] - [ -0.0004357900000000, 0.0022272700000000, 0.0000594500000000 ] - [ 0.0033675000000000, 0.0022365600000000, 0.0013232200000000 ] - [ 0.0012828900000000, -0.0046542600000000, 0.0004193500000000 ] - [ -0.0061374300000000, -0.0079740400000000, 0.0005097100000000 ] - [ -0.0013400900000000, 0.0026009700000000, 0.0001147900000000 ] - [ 0.0128922300000000, -0.0131373400000000, 0.0057728300000000 ] - [ -0.0013153300000000, 0.0039072900000000, -0.0005600600000000 ] - [ 0.0032616400000000, 0.0108858000000000, -0.0000051700000000 ] - [ -0.0012176200000000, 0.0029028300000000, 0.0002666600000000 ] - [ -0.0015490900000000, 0.0017643400000000, -0.0000629100000000 ] - [ 0.0000246500000000, 0.0027889800000000, 0.0000725500000000 ] - [ -0.0009023600000000, 0.0022220500000000, 0.0002095400000000 ] - [ -0.0008130300000000, 0.0023497500000000, 0.0000145600000000 ] - [ 0.0005051200000000, 0.0023645200000000, 0.0000734500000000 ] - [ -0.0000252200000000, 0.0042980100000000, 0.0004640600000000 ] - [ 0.0054179400000000, 0.0015438500000000, 0.0000175300000000 ] - [ -0.0009933500000000, -0.0001988300000000, 0.0001445000000000 ] - [ -0.0006040100000000, -0.0044138400000000, -0.0004470000000000 ] - [ -0.0014549600000000, -0.0527181900000000, 0.0217929100000000 ] - [ -0.0002992000000000, 0.0013247200000000, -0.0000177500000000 ] - [ -0.0016771600000000, 0.0016309900000000, 0.0003138100000000 ] - [ 0.0012949200000000, 0.0001998400000000, -0.0002569700000000 ] - [ -0.0000591000000000, 0.0023240900000000, -0.0000609700000000 ] - [ -0.0036708400000000, -0.0025583900000000, 0.0003517800000000 ] - [ 0.0050395000000000, -0.0075579700000000, -0.0064901300000000 ] - [ 0.0002643000000000, 0.0019788000000000, -0.0000019900000000 ] - [ -0.0007078900000000, 0.0028330300000000, -0.0000713800000000 ] - [ -0.0035317200000000, 0.0027932400000000, -0.0000800400000000 ] - [ 0.0007814800000000, -0.0007518000000000, -0.0003738500000000 ] - [ 0.0100493300000000, -0.1093658700000000, -0.0336374400000000 ] - [ -0.0019451900000000, 0.0023455300000000, -0.0003268400000000 ] - [ -0.0000273900000000, 0.0028998700000000, 0.0002147900000000 ] - [ 0.0009122800000000, -0.0018166200000000, 0.0002603100000000 ] - [ 0.0011741200000000, 0.0033712300000000, 0.0003949900000000 ] - [ -0.0034221300000000, 0.0001585000000000, 0.0003312900000000 ] - [ 0.0087257300000000, 0.0011022700000000, 0.0005437800000000 ] - [ 0.0000856200000000, 0.0029670200000000, -0.0000356100000000 ] - [ 0.0010837400000000, -0.0022314400000000, 0.0010198300000000 ] - [ -0.0002453100000000, 0.0019632500000000, 0.0000902200000000 ] - [ 0.0044078400000000, 0.0073984000000000, -0.0011370700000000 ] - [ -0.0102442100000000, 0.0065321700000000, -0.0026949800000000 ] - [ 0.0003922800000000, -0.0051643400000000, 0.0002348800000000 ] - [ -0.0011103100000000, 0.0026358600000000, -0.0002027900000000 ] - [ 0.0754292000000000, -0.0611505100000000, -0.0021423000000000 ] - [ -0.0002202800000000, 0.0068960600000000, -0.0000680500000000 ] - [ -0.0366823400000000, -0.0685426800000000, 0.0161814700000000 ] - [ 0.0009208900000000, 0.0032627000000000, -0.0000364400000000 ] - [ 0.0006149700000000, 0.0014662700000000, 0.0000724700000000 ] - [ 0.0008119900000000, 0.0022927600000000, 0.0000669000000000 ] - [ -0.0002139000000000, 0.0016674100000000, -0.0000776900000000 ]- atom: 20 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002009500000000, 0.0005039100000000, 0.0003369100000000 ] - [ -0.0001130700000000, -0.0000192000000000, -0.0000135200000000 ] - [ 0.0007979300000000, -0.0005551700000000, -0.0070926500000000 ] - [ 0.0016174300000000, -0.0005775100000000, -0.0007282800000000 ] - [ 0.0014685300000000, -0.0002356900000000, -0.0023817200000000 ] - [ 0.0000606000000000, 0.0001057300000000, 0.0000390400000000 ] - [ -0.0000998200000000, 0.0001544000000000, -0.0001192100000000 ] - [ -0.0000697100000000, 0.0000794400000000, -0.0000741700000000 ] - [ 0.0064119300000000, -0.0004546500000000, 0.0009344000000000 ] - [ -0.0002287500000000, -0.0000024700000000, -0.0001512900000000 ] - [ -0.0079260100000000, 0.0015516300000000, 0.0015919400000000 ] - [ -0.0001154300000000, 0.0001392300000000, 0.0001294700000000 ] - [ -0.0001807100000000, -0.0000208300000000, 0.0001732100000000 ] - [ -0.0001821400000000, 0.0001338600000000, -0.0001091300000000 ] - [ -0.0005219800000000, -0.0005578000000000, -0.0008969000000000 ] - [ -0.0008429000000000, -0.0000196700000000, 0.0010158800000000 ] - [ 0.0004352600000000, -0.0011125400000000, -0.0014239600000000 ] - [ -0.0013677900000000, 0.0069778800000000, -0.0146871300000000 ] - [ 0.0002038100000000, -0.0012862000000000, 0.0038603900000000 ] - [ -0.0065051000000000, 0.0059806900000000, -0.3078357600000000 ] - [ -0.0000446200000000, -0.0005733000000000, -0.0000983200000000 ] - [ 0.0000713100000000, 0.0003381300000000, -0.0000263200000000 ] - [ -0.0004646200000000, 0.0003340900000000, -0.0001695200000000 ] - [ -0.0001469100000000, 0.0000810700000000, 0.0000072900000000 ] - [ -0.0000091000000000, 0.0004007000000000, 0.0000688100000000 ] - [ 0.0000686300000000, -0.0000982400000000, 0.0001034900000000 ] - [ -0.0009006800000000, 0.0015781400000000, 0.0036391800000000 ] - [ -0.0002943000000000, -0.0000043400000000, -0.0001467200000000 ] - [ -0.0002961800000000, -0.0000752100000000, -0.0000285800000000 ] - [ -0.0002742700000000, 0.0005149700000000, -0.0002160200000000 ] - [ 0.0002167400000000, 0.0000410000000000, -0.0000075400000000 ] - [ 0.0027229400000000, -0.0006618700000000, -0.0001338500000000 ] - [ -0.0001887900000000, 0.0007600300000000, 0.0006011500000000 ] - [ -0.0024981100000000, 0.0023673100000000, -0.0003623300000000 ] - [ 0.0002452700000000, 0.0012725400000000, -0.0016078200000000 ] - [ -0.0135001700000000, -0.0182002300000000, 0.0581512900000000 ] - [ 0.0002027100000000, -0.0002673600000000, -0.0000548000000000 ] - [ -0.0006004300000000, -0.0008029100000000, -0.0003978600000000 ] - [ -0.0002640000000000, -0.0000230300000000, -0.0000881200000000 ] - [ 0.0001717000000000, -0.0008064300000000, 0.0001846100000000 ] - [ 0.0001366700000000, 0.0003227700000000, 0.0000541300000000 ] - [ -0.0012562100000000, -0.0090351600000000, -0.0130609100000000 ] - [ 0.0001972700000000, 0.0001759400000000, 0.0003626200000000 ] - [ 0.0140832500000000, 0.0188724000000000, 0.0439053800000000 ] - [ -0.0001500900000000, 0.0002609300000000, -0.0002420500000000 ] - [ -0.0000004600000000, -0.0006096500000000, 0.0000040500000000 ] - [ -0.0001673300000000, 0.0002341400000000, 0.0001564300000000 ] - [ -0.0001398600000000, 0.0003155000000000, 0.0003291100000000 ] - [ -0.0002153900000000, 0.0000851700000000, -0.0001155000000000 ] - [ -0.0001886300000000, -0.0001173400000000, 0.0002378000000000 ] - [ -0.0002499600000000, -0.0011131200000000, -0.0001023200000000 ] - [ 0.0003092700000000, 0.0007012300000000, 0.0002751900000000 ] - [ -0.0004149700000000, -0.0004569700000000, 0.0001716300000000 ] - [ -0.0001096000000000, 0.0002679700000000, 0.0000689600000000 ] - [ -0.0000420800000000, -0.0002156000000000, 0.0000277700000000 ] - [ -0.0030913900000000, -0.0073091800000000, 0.0001299900000000 ] - [ -0.0001484400000000, -0.0004340500000000, -0.0007845800000000 ] - [ 0.0009331900000000, 0.0003797100000000, -0.0007936100000000 ] - [ -0.0002054400000000, -0.0002427400000000, 0.0000731900000000 ] - [ 0.0035140500000000, 0.0031985600000000, -0.0072348400000000 ] - [ 0.0003475200000000, -0.0006735100000000, -0.0000526000000000 ] - [ -0.0012226300000000, -0.0053694200000000, 0.0005056200000000 ] - [ -0.0000534200000000, -0.0000369900000000, -0.0001109700000000 ] - [ 0.0003236200000000, -0.0000805000000000, 0.0001437700000000 ] - [ -0.0001305100000000, 0.0002853100000000, 0.0000794300000000 ] - [ -0.0001667900000000, -0.0001089100000000, 0.0003173000000000 ] - [ -0.0002825500000000, -0.0001104600000000, -0.0000806100000000 ] - [ -0.0001495200000000, -0.0001176600000000, 0.0000819700000000 ] - [ 0.0000757200000000, 0.0008467900000000, 0.0000856700000000 ] - [ 0.0005607400000000, 0.0002520400000000, -0.0006892500000000 ] - [ -0.0000818300000000, -0.0004966500000000, -0.0000122400000000 ] - [ 0.0006474800000000, -0.0005436600000000, 0.0025529000000000 ] - [ 0.0403806400000000, -0.0180328400000000, 0.1203733700000000 ] - [ 0.0003112800000000, -0.0001447800000000, 0.0000546500000000 ] - [ -0.0002180600000000, -0.0002732800000000, -0.0000619300000000 ] - [ 0.0002857500000000, 0.0003496400000000, -0.0001973100000000 ] - [ -0.0003295600000000, 0.0003170700000000, -0.0001833000000000 ] - [ 0.0002683400000000, 0.0009635100000000, 0.0000279300000000 ] - [ -0.0085210800000000, -0.0030532000000000, -0.0041871000000000 ] - [ -0.0000165500000000, 0.0000463300000000, 0.0000341000000000 ] - [ -0.0002722400000000, -0.0002652200000000, -0.0001539700000000 ] - [ -0.0000883200000000, -0.0006113200000000, -0.0005627200000000 ] - [ 0.0006129200000000, -0.0003279300000000, -0.0004184700000000 ] - [ -0.0030617100000000, 0.0372508500000000, 0.0456555000000000 ] - [ -0.0008930500000000, -0.0002540100000000, -0.0000252200000000 ] - [ -0.0001459500000000, -0.0002261900000000, 0.0002407000000000 ] - [ 0.0000883700000000, 0.0005022400000000, 0.0004552700000000 ] - [ -0.0000522600000000, 0.0004805300000000, 0.0003574500000000 ] - [ 0.0011092700000000, -0.0002605900000000, -0.0000080400000000 ] - [ 0.0063220500000000, 0.0020969200000000, 0.0019185100000000 ] - [ -0.0002019000000000, -0.0001277600000000, -0.0000040900000000 ] - [ -0.0001936300000000, -0.0010413900000000, 0.0010588100000000 ] - [ -0.0000457800000000, -0.0000277900000000, 0.0001005800000000 ] - [ 0.0033521200000000, 0.0068707300000000, 0.0016266600000000 ] - [ 0.0035039800000000, -0.0025017300000000, 0.0036402200000000 ] - [ 0.0001617400000000, 0.0006452200000000, -0.0000236100000000 ] - [ -0.0001784600000000, -0.0001275200000000, 0.0000787000000000 ] - [ -0.0043804200000000, 0.0007070500000000, 0.0270511800000000 ] - [ -0.0003785900000000, 0.0046305900000000, 0.0003711900000000 ] - [ -0.0269736400000000, -0.0230490500000000, 0.0445648900000000 ] - [ -0.0000789400000000, -0.0000270700000000, 0.0000815900000000 ] - [ -0.0000920700000000, -0.0005434200000000, -0.0000169800000000 ] - [ -0.0000025000000000, -0.0000831200000000, -0.0000547800000000 ] - [ -0.0001936200000000, 0.0000305100000000, -0.0000627500000000 ]- atom: 20 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0002007400000000, -0.0006353400000000, -0.0003528800000000 ] - [ 0.0001121200000000, -0.0001131400000000, -0.0000066400000000 ] - [ -0.0007437300000000, 0.0007415200000000, 0.0068030200000000 ] - [ -0.0014479000000000, 0.0004261200000000, 0.0004737000000000 ] - [ -0.0014413800000000, 0.0003241700000000, 0.0023726300000000 ] - [ -0.0000604100000000, 0.0000214700000000, -0.0000582600000000 ] - [ -0.0000585300000000, -0.0000095300000000, -0.0001316500000000 ] - [ -0.0000898900000000, -0.0002280900000000, -0.0001751700000000 ] - [ -0.0060187000000000, 0.0005848700000000, -0.0009893100000000 ] - [ -0.0001917500000000, -0.0000922800000000, -0.0000168900000000 ] - [ 0.0081530800000000, -0.0014146200000000, -0.0014891400000000 ] - [ -0.0001776200000000, -0.0000501500000000, 0.0000773300000000 ] - [ -0.0001114900000000, -0.0000702500000000, 0.0000331000000000 ] - [ -0.0002391400000000, -0.0000413200000000, -0.0000592900000000 ] - [ 0.0008139100000000, 0.0004673700000000, 0.0011058600000000 ] - [ 0.0012585300000000, -0.0000715700000000, -0.0011854100000000 ] - [ -0.0002357000000000, 0.0005557900000000, 0.0013638400000000 ] - [ 0.0012044000000000, -0.0064475200000000, 0.0146182500000000 ] - [ 0.0000093200000000, 0.0013159600000000, -0.0037232400000000 ] - [ 0.0009505300000000, -0.0031343700000000, 0.2994806600000000 ] - [ 0.0006402800000000, 0.0008292200000000, -0.0001074600000000 ] - [ 0.0001340200000000, 0.0002094800000000, -0.0000244800000000 ] - [ 0.0002324600000000, -0.0003147300000000, 0.0000884800000000 ] - [ -0.0000592700000000, -0.0001328900000000, 0.0000963500000000 ] - [ 0.0001533600000000, 0.0000444100000000, 0.0000058400000000 ] - [ 0.0000738600000000, -0.0003509600000000, -0.0000292300000000 ] - [ 0.0014541000000000, -0.0016711200000000, -0.0037228100000000 ] - [ -0.0000977100000000, -0.0002027200000000, -0.0002315100000000 ] - [ -0.0000908500000000, -0.0001380700000000, 0.0003303400000000 ] - [ -0.0001167000000000, -0.0003098400000000, -0.0001607200000000 ] - [ 0.0003577400000000, 0.0000671500000000, -0.0001041200000000 ] - [ -0.0025128300000000, 0.0006128700000000, 0.0002309500000000 ] - [ 0.0004212800000000, -0.0007662100000000, -0.0006838000000000 ] - [ 0.0028799600000000, -0.0025603900000000, -0.0000145000000000 ] - [ 0.0001455700000000, -0.0010607800000000, 0.0012164200000000 ] - [ 0.0138488900000000, 0.0178769500000000, -0.0576447100000000 ] - [ -0.0007753700000000, 0.0001510300000000, -0.0000581300000000 ] - [ 0.0004500700000000, 0.0003558800000000, 0.0004728000000000 ] - [ -0.0003333800000000, -0.0002368100000000, -0.0001157300000000 ] - [ 0.0002093900000000, 0.0005954400000000, 0.0001181800000000 ] - [ -0.0003388200000000, -0.0002770200000000, 0.0000486200000000 ] - [ 0.0006391400000000, 0.0090732300000000, 0.0128302500000000 ] - [ 0.0000420500000000, -0.0001591100000000, -0.0004388500000000 ] - [ -0.0139329200000000, -0.0181810300000000, -0.0436934100000000 ] - [ -0.0000875700000000, -0.0002798500000000, 0.0001604600000000 ] - [ -0.0002125400000000, 0.0000534600000000, -0.0000541200000000 ] - [ -0.0002181700000000, -0.0000252200000000, 0.0001461400000000 ] - [ -0.0004562000000000, -0.0000583500000000, -0.0005296400000000 ] - [ -0.0002827800000000, 0.0001469200000000, -0.0001334700000000 ] - [ -0.0000982500000000, 0.0003194300000000, 0.0002404200000000 ] - [ -0.0003485500000000, 0.0012441900000000, -0.0000635200000000 ] - [ -0.0000204300000000, -0.0005013000000000, 0.0002006300000000 ] - [ 0.0009199600000000, 0.0003496300000000, -0.0002676000000000 ] - [ -0.0000035400000000, -0.0000932200000000, -0.0001181600000000 ] - [ -0.0000331200000000, -0.0000325100000000, 0.0000453800000000 ] - [ 0.0029445600000000, 0.0070650200000000, -0.0002030300000000 ] - [ 0.0005615500000000, 0.0003773900000000, 0.0007788400000000 ] - [ -0.0008843900000000, -0.0006670300000000, 0.0008658400000000 ] - [ -0.0002101000000000, 0.0002950800000000, -0.0000739000000000 ] - [ -0.0032543400000000, -0.0032314700000000, 0.0073746200000000 ] - [ -0.0002300300000000, 0.0005972400000000, -0.0001478600000000 ] - [ 0.0016218900000000, 0.0053737600000000, -0.0005020100000000 ] - [ -0.0000627500000000, 0.0001118900000000, -0.0000895300000000 ] - [ -0.0002773300000000, -0.0001741800000000, -0.0000726200000000 ] - [ -0.0000705500000000, 0.0004358000000000, 0.0000871300000000 ] - [ -0.0002049100000000, 0.0000338500000000, 0.0003161700000000 ] - [ -0.0003197100000000, -0.0000283400000000, -0.0000851100000000 ] - [ -0.0000411700000000, 0.0000662300000000, 0.0000868500000000 ] - [ 0.0004922800000000, -0.0008554300000000, 0.0000399900000000 ] - [ 0.0001904200000000, -0.0009637400000000, 0.0003110500000000 ] - [ -0.0000358600000000, 0.0004192800000000, -0.0001834600000000 ] - [ -0.0005876100000000, 0.0007622800000000, -0.0024790200000000 ] - [ -0.0367303500000000, 0.0163177900000000, -0.1111093600000000 ] - [ -0.0003571500000000, -0.0001101800000000, 0.0000169400000000 ] - [ -0.0003588200000000, 0.0002590100000000, 0.0001850500000000 ] - [ 0.0003170500000000, -0.0002054900000000, 0.0000303800000000 ] - [ -0.0004174200000000, 0.0004115400000000, -0.0001911100000000 ] - [ -0.0000743000000000, -0.0009080400000000, 0.0001407600000000 ] - [ 0.0092323700000000, 0.0037586600000000, 0.0037530700000000 ] - [ -0.0000597100000000, 0.0002039900000000, 0.0000390000000000 ] - [ -0.0002272900000000, 0.0000378000000000, -0.0000952800000000 ] - [ -0.0004157300000000, 0.0005038100000000, 0.0004625400000000 ] - [ -0.0004973000000000, 0.0003966000000000, 0.0002141600000000 ] - [ 0.0035499200000000, -0.0391516900000000, -0.0454786900000000 ] - [ 0.0001447600000000, -0.0004661100000000, -0.0003479600000000 ] - [ -0.0001410000000000, 0.0000266600000000, 0.0002374100000000 ] - [ 0.0002859300000000, -0.0004236600000000, 0.0001788300000000 ] - [ -0.0003161300000000, -0.0003992700000000, 0.0002758300000000 ] - [ -0.0009057200000000, -0.0004575200000000, 0.0001747300000000 ] - [ -0.0057756400000000, -0.0019836300000000, -0.0019946000000000 ] - [ -0.0002131500000000, 0.0000777600000000, 0.0000026800000000 ] - [ 0.0007690400000000, 0.0010538800000000, -0.0009258300000000 ] - [ -0.0001451200000000, 0.0000824300000000, 0.0000683700000000 ] - [ -0.0028424800000000, -0.0070370800000000, -0.0019096100000000 ] - [ -0.0034169000000000, 0.0027461400000000, -0.0035402400000000 ] - [ 0.0003400700000000, -0.0004179100000000, -0.0002232400000000 ] - [ -0.0003919000000000, 0.0001465300000000, 0.0000465600000000 ] - [ 0.0060199600000000, -0.0004396700000000, -0.0268426700000000 ] - [ 0.0004956800000000, -0.0044377600000000, -0.0004207600000000 ] - [ 0.0287061200000000, 0.0239920500000000, -0.0450884800000000 ] - [ 0.0000341300000000, 0.0002835200000000, -0.0000098600000000 ] - [ -0.0001094600000000, -0.0001757500000000, 0.0001828900000000 ] - [ 0.0001174500000000, -0.0000842200000000, 0.0000047200000000 ] - [ -0.0003169000000000, 0.0000759300000000, -0.0000359800000000 ]- atom: 23 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0085370800000000, 0.0065794600000000, -0.0011147900000000 ] - [ -0.0000729700000000, -0.0002576900000000, -0.0000207200000000 ] - [ 0.0011402500000000, 0.0009898700000000, -0.0001670500000000 ] - [ -0.0002703600000000, -0.0005689800000000, -0.0001255100000000 ] - [ 0.0158071000000000, -0.0112970100000000, 0.0006292600000000 ] - [ -0.0000333500000000, 0.0003916400000000, -0.0000170700000000 ] - [ -0.0010398400000000, -0.0033090400000000, -0.0002268500000000 ] - [ 0.0042967600000000, 0.0037361900000000, -0.0002130400000000 ] - [ -0.0008615900000000, -0.0014332000000000, 0.0001486200000000 ] - [ 0.0084626800000000, -0.0147091500000000, -0.0110337600000000 ] - [ -0.0001571900000000, -0.0020470800000000, -0.0003479600000000 ] - [ 0.0009427700000000, 0.0009257900000000, -0.0005640400000000 ] - [ 0.0095425900000000, -0.0163695900000000, 0.0121066400000000 ] - [ 0.0007622300000000, 0.0009150900000000, 0.0005560500000000 ] - [ 0.0003968600000000, 0.0000744100000000, 0.0002346100000000 ] - [ 0.0004506100000000, 0.0000794100000000, -0.0002120500000000 ] - [ 0.0110402900000000, 0.0001016700000000, 0.0000085300000000 ] - [ 0.0004487900000000, -0.0003337000000000, 0.0001193000000000 ] - [ 0.0000301900000000, -0.0003150900000000, 0.0000787300000000 ] - [ 0.0031600500000000, -0.0009800600000000, -0.0004490300000000 ] - [ 0.0001695800000000, 0.0005569200000000, -0.0001337700000000 ] - [ -0.0021046900000000, 0.0006507500000000, 0.0001694400000000 ] - [ -0.3996194900000000, 0.0619820100000000, 0.0102907400000000 ] - [ -0.0001508000000000, -0.0019363100000000, -0.0000273600000000 ] - [ -0.0207907100000000, 0.0089048200000000, -0.0009915400000000 ] - [ 0.0024559400000000, -0.0019221000000000, 0.0001047500000000 ] - [ 0.0119259100000000, -0.0003037400000000, 0.0001630300000000 ] - [ -0.0001470700000000, -0.0009509000000000, -0.0002332200000000 ] - [ 0.0069251900000000, -0.0011923500000000, 0.0013047500000000 ] - [ 0.0206930500000000, -0.0026785000000000, -0.0151902900000000 ] - [ -0.0003300400000000, 0.0002221500000000, 0.0000202200000000 ] - [ 0.0025019900000000, 0.0029018000000000, 0.0004854500000000 ] - [ -0.0245754700000000, -0.0153898200000000, 0.0151010700000000 ] - [ 0.0111465600000000, 0.0188460000000000, 0.0003629100000000 ] - [ 0.0002877800000000, 0.0000180100000000, -0.0001886500000000 ] - [ 0.0009205900000000, -0.0003139000000000, 0.0000315200000000 ] - [ -0.0004703500000000, 0.0000825400000000, -0.0000811600000000 ] - [ -0.0030823900000000, 0.0014648300000000, -0.0003756800000000 ] - [ -0.0006808400000000, 0.0016712600000000, -0.0001789700000000 ] - [ 0.0000458300000000, 0.0008963000000000, -0.0000862500000000 ] - [ 0.0209522600000000, 0.0313679700000000, 0.0073166800000000 ] - [ 0.0082855100000000, -0.0017748800000000, -0.0004522100000000 ] - [ 0.0004677600000000, -0.0000742000000000, -0.0001037700000000 ] - [ 0.0026982500000000, -0.0007213300000000, 0.0002656400000000 ] - [ 0.0008415400000000, 0.0001262300000000, -0.0001379000000000 ] - [ -0.0005492000000000, -0.0001284400000000, -0.0000438300000000 ] - [ -0.0011070400000000, 0.0055435600000000, 0.0024119000000000 ] - [ 0.0111073400000000, 0.0000069900000000, 0.0002006400000000 ] - [ -0.0020798700000000, 0.0022148600000000, -0.0013358000000000 ] - [ -0.0043373500000000, 0.0014939800000000, 0.0010710700000000 ] - [ -0.0075521800000000, -0.0022148800000000, -0.0014613800000000 ] - [ 0.0006634700000000, -0.0005041000000000, 0.0003635600000000 ] - [ 0.0003785200000000, -0.0001034400000000, -0.0000542900000000 ] - [ 0.0001225900000000, -0.0000575000000000, -0.0000574800000000 ] - [ -0.0023910000000000, -0.0004374400000000, 0.0000381400000000 ] - [ -0.0049481900000000, 0.0017916400000000, 0.0005974900000000 ] - [ -0.0007181100000000, -0.0035335700000000, -0.0003456500000000 ] - [ 0.0022838000000000, 0.0005500100000000, 0.0001037600000000 ] - [ 0.0003775300000000, -0.0129446900000000, 0.0029147600000000 ] - [ -0.0004154000000000, 0.0009432800000000, 0.0001330600000000 ] - [ -0.0002327300000000, -0.0000491500000000, 0.0000024600000000 ] - [ 0.0001536200000000, 0.0002430100000000, -0.0000142700000000 ] - [ -0.0004617000000000, 0.0002703400000000, -0.0001816900000000 ] - [ -0.0002144300000000, -0.0002292200000000, 0.0000449600000000 ] - [ -0.0003133300000000, -0.0003197400000000, 0.0001153700000000 ] - [ 0.0017593500000000, -0.0021838900000000, 0.0003579200000000 ] - [ 0.0006902500000000, -0.0007649600000000, -0.0000099700000000 ] - [ -0.0013149300000000, -0.0024322700000000, -0.0005612500000000 ] - [ 0.0001304100000000, 0.0001004000000000, 0.0000658100000000 ] - [ 0.0006434100000000, -0.0002310500000000, -0.0002084100000000 ] - [ 0.0541133800000000, 0.0004195700000000, 0.0357919800000000 ] - [ 0.0051369300000000, 0.0045517800000000, -0.0043657200000000 ] - [ -0.0010502300000000, 0.0000302500000000, -0.0000604800000000 ] - [ 0.1648680400000000, -0.1170723300000000, -0.0194787300000000 ] - [ 0.0869151400000000, 0.0259685500000000, -0.0427328900000000 ] - [ 0.0005355300000000, -0.0001609900000000, -0.0000921200000000 ] - [ 0.0008407800000000, 0.0015362600000000, -0.0000352400000000 ] - [ -0.0001612200000000, -0.0004082200000000, 0.0001637100000000 ] - [ -0.0020475000000000, -0.0002563500000000, -0.0002406500000000 ] - [ 0.0104851100000000, 0.0080134100000000, 0.0005590700000000 ] - [ 0.0038719100000000, -0.0134498100000000, -0.0002456700000000 ] - [ -0.0132718200000000, 0.0028420300000000, 0.0027478900000000 ] - [ 0.0519956300000000, 0.0311089700000000, 0.0066042900000000 ] - [ -0.0006596800000000, 0.0005159900000000, 0.0003379800000000 ] - [ -0.0140149800000000, -0.0038140800000000, -0.0008863300000000 ] - [ 0.0030824300000000, -0.0024546500000000, -0.0005201800000000 ] - [ 0.0005302400000000, -0.0003598600000000, 0.0003131300000000 ] - [ -0.0075169000000000, -0.0019731000000000, 0.0017084600000000 ] - [ 0.0000406200000000, -0.0004321600000000, 0.0000887500000000 ] - [ -0.0071220800000000, -0.0031139400000000, 0.0000653800000000 ] - [ -0.0006112200000000, 0.0009718000000000, 0.0000607000000000 ] - [ 0.0021232300000000, -0.0022523400000000, 0.0004859600000000 ] - [ -0.0095658300000000, 0.0093450600000000, 0.0001308300000000 ] - [ 0.0000560300000000, 0.0003283500000000, 0.0000207400000000 ] - [ -0.0005010500000000, 0.0001227100000000, 0.0000056100000000 ] - [ 0.0007233000000000, -0.0016449200000000, -0.0002156000000000 ] - [ -0.0006706200000000, 0.0006338200000000, 0.0000543600000000 ] - [ -0.0005972700000000, 0.0043673600000000, -0.0001347400000000 ] - [ -0.0060616000000000, 0.0014087800000000, -0.0007906300000000 ] - [ -0.0027234300000000, -0.0001004700000000, -0.0000003600000000 ] - [ -0.0009550400000000, -0.0006799900000000, 0.0000625300000000 ] - [ -0.0110880100000000, 0.0043865600000000, -0.0003103100000000 ] - [ 0.0005292400000000, -0.0003193100000000, -0.0000171900000000 ] - [ 0.0001472600000000, 0.0003110300000000, -0.0000466800000000 ]- atom: 23 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0085570200000000, -0.0067382100000000, 0.0011055300000000 ] - [ 0.0000731200000000, 0.0001296300000000, 0.0000009700000000 ] - [ -0.0009761700000000, -0.0008459900000000, -0.0000851500000000 ] - [ 0.0004264500000000, 0.0004251700000000, -0.0001264900000000 ] - [ -0.0156297500000000, 0.0113283300000000, -0.0006641400000000 ] - [ 0.0000328900000000, -0.0002597400000000, -0.0000027800000000 ] - [ 0.0008785000000000, 0.0034605300000000, -0.0000254900000000 ] - [ -0.0044563400000000, -0.0038829300000000, -0.0000386600000000 ] - [ 0.0012703300000000, 0.0015330300000000, -0.0003190000000000 ] - [ -0.0089178300000000, 0.0147057800000000, 0.0108652100000000 ] - [ 0.0004382400000000, 0.0021431100000000, 0.0005575200000000 ] - [ -0.0012350800000000, -0.0008320500000000, 0.0007688400000000 ] - [ -0.0098530000000000, 0.0163834200000000, -0.0119014100000000 ] - [ -0.0011828700000000, -0.0008181100000000, -0.0007223300000000 ] - [ -0.0001021500000000, -0.0001651500000000, -0.0000289300000000 ] - [ -0.0000275200000000, -0.0001732900000000, 0.0000448200000000 ] - [ -0.0108267000000000, -0.0006504300000000, -0.0000525600000000 ] - [ -0.0005918800000000, 0.0007804800000000, -0.0000445900000000 ] - [ 0.0001775000000000, 0.0003664400000000, 0.0000253100000000 ] - [ -0.0025654600000000, 0.0007179700000000, 0.0002484100000000 ] - [ 0.0004290600000000, -0.0002959100000000, -0.0000709100000000 ] - [ 0.0023130400000000, -0.0000963800000000, -0.0002192600000000 ] - [ 0.4005191800000000, -0.0703361000000000, -0.0087458500000000 ] - [ -0.0000583100000000, 0.0018833300000000, 0.0001318600000000 ] - [ 0.0209294900000000, -0.0084571300000000, 0.0010595200000000 ] - [ -0.0023100500000000, 0.0014796800000000, -0.0000279300000000 ] - [ -0.0113448500000000, 0.0001894900000000, -0.0002826000000000 ] - [ -0.0002452900000000, 0.0007463500000000, -0.0001452600000000 ] - [ -0.0073070200000000, 0.0009971400000000, -0.0010004200000000 ] - [ -0.0210313300000000, 0.0029355600000000, 0.0148904800000000 ] - [ 0.0009083500000000, -0.0001075600000000, -0.0001319900000000 ] - [ -0.0022797700000000, -0.0029461000000000, -0.0003675100000000 ] - [ 0.0248123300000000, 0.0154859500000000, -0.0151856300000000 ] - [ -0.0106997100000000, -0.0192212300000000, -0.0007489200000000 ] - [ 0.0001044700000000, 0.0001887900000000, -0.0001899000000000 ] - [ -0.0005367200000000, 0.0005251200000000, 0.0002710100000000 ] - [ -0.0001085200000000, -0.0001919800000000, -0.0000309200000000 ] - [ 0.0029321000000000, -0.0019015100000000, 0.0004442300000000 ] - [ 0.0000831700000000, -0.0019236000000000, -0.0000234600000000 ] - [ 0.0003446500000000, -0.0011030200000000, 0.0003912400000000 ] - [ -0.0210772900000000, -0.0311584100000000, -0.0072651500000000 ] - [ -0.0088901600000000, 0.0018817900000000, 0.0003461600000000 ] - [ -0.0002306100000000, 0.0000938000000000, 0.0000237200000000 ] - [ -0.0029031100000000, 0.0012636400000000, -0.0003192400000000 ] - [ -0.0010771000000000, -0.0001420700000000, 0.0000575900000000 ] - [ 0.0003383100000000, -0.0004205600000000, -0.0000058200000000 ] - [ 0.0007151900000000, -0.0053235500000000, -0.0021030600000000 ] - [ -0.0117254300000000, 0.0002616000000000, -0.0004090100000000 ] - [ 0.0015717500000000, -0.0019819400000000, 0.0010783200000000 ] - [ 0.0040481500000000, -0.0013002300000000, -0.0005881300000000 ] - [ 0.0069578600000000, 0.0023528000000000, 0.0012986400000000 ] - [ -0.0003747100000000, 0.0006985600000000, 0.0001148700000000 ] - [ 0.0001329300000000, 0.0000028600000000, -0.0000451100000000 ] - [ -0.0002378100000000, 0.0002239200000000, 0.0000074000000000 ] - [ 0.0023194000000000, 0.0001848400000000, 0.0000341500000000 ] - [ 0.0048368400000000, -0.0019576200000000, -0.0006492200000000 ] - [ 0.0011101900000000, 0.0034381600000000, 0.0003465500000000 ] - [ -0.0022078200000000, -0.0008064400000000, -0.0000282400000000 ] - [ -0.0007874100000000, 0.0130005200000000, -0.0029364700000000 ] - [ 0.0006210600000000, -0.0010020700000000, 0.0000352600000000 ] - [ 0.0003497200000000, -0.0000237100000000, -0.0002029700000000 ] - [ 0.0002643500000000, -0.0001902200000000, 0.0000140900000000 ] - [ 0.0003448800000000, -0.0001998800000000, -0.0000196100000000 ] - [ 0.0002508100000000, -0.0000288700000000, 0.0000256600000000 ] - [ 0.0001072900000000, 0.0010341500000000, 0.0000504700000000 ] - [ -0.0021290100000000, 0.0021039300000000, 0.0002747700000000 ] - [ -0.0012899200000000, 0.0006206000000000, -0.0001551300000000 ] - [ 0.0011147900000000, 0.0023728300000000, 0.0007287600000000 ] - [ 0.0004424600000000, -0.0001202500000000, 0.0000595900000000 ] - [ 0.0001069600000000, -0.0004980000000000, -0.0001654200000000 ] - [ -0.0541691100000000, -0.0007334000000000, -0.0351619300000000 ] - [ -0.0050757200000000, -0.0043299300000000, 0.0044502800000000 ] - [ 0.0014227800000000, -0.0001048000000000, 0.0006933300000000 ] - [ -0.1708633400000000, 0.1234900000000000, 0.0205811000000000 ] - [ -0.0829737100000000, -0.0237309200000000, 0.0397470300000000 ] - [ 0.0000663200000000, 0.0002997400000000, -0.0000726500000000 ] - [ -0.0015887100000000, -0.0008090900000000, -0.0003389600000000 ] - [ 0.0003566900000000, 0.0004619200000000, 0.0000041900000000 ] - [ 0.0027825600000000, 0.0009904100000000, -0.0001330900000000 ] - [ -0.0105596900000000, -0.0077745100000000, -0.0004852700000000 ] - [ -0.0043781500000000, 0.0131952100000000, -0.0000147600000000 ] - [ 0.0127754900000000, -0.0029562600000000, -0.0028664900000000 ] - [ -0.0518631800000000, -0.0315428000000000, -0.0071679000000000 ] - [ 0.0009482400000000, -0.0007148600000000, 0.0001412900000000 ] - [ 0.0132803700000000, 0.0030806300000000, 0.0005367500000000 ] - [ -0.0033710800000000, 0.0022490800000000, 0.0009996200000000 ] - [ -0.0001585900000000, 0.0004355000000000, 0.0003196600000000 ] - [ 0.0071439000000000, 0.0020452000000000, -0.0010775400000000 ] - [ 0.0001644800000000, -0.0002861500000000, 0.0000772300000000 ] - [ 0.0076427300000000, 0.0032380400000000, -0.0001635000000000 ] - [ 0.0001932200000000, -0.0010258900000000, -0.0000610500000000 ] - [ -0.0015868500000000, 0.0022576000000000, -0.0003977400000000 ] - [ 0.0093287400000000, -0.0092352800000000, 0.0000426200000000 ] - [ 0.0004460400000000, -0.0005594500000000, -0.0002707400000000 ] - [ 0.0005702000000000, 0.0001276700000000, 0.0000674800000000 ] - [ -0.0002235300000000, 0.0018740800000000, -0.0000337300000000 ] - [ 0.0000981300000000, -0.0006157000000000, 0.0000714400000000 ] - [ 0.0008122200000000, -0.0036386800000000, 0.0002988300000000 ] - [ 0.0061753200000000, -0.0012400500000000, 0.0007433300000000 ] - [ 0.0033310100000000, -0.0000315800000000, -0.0001634400000000 ] - [ 0.0009161400000000, 0.0009337600000000, 0.0000083200000000 ] - [ 0.0108979500000000, -0.0051237500000000, 0.0004851200000000 ] - [ -0.0004139400000000, 0.0001481600000000, -0.0000324900000000 ] - [ -0.0006589600000000, -0.0002129600000000, -0.0000526100000000 ]- atom: 23 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0046955400000000, -0.0158611800000000, 0.0031548300000000 ] - [ 0.0000438500000000, 0.0030543200000000, 0.0001123600000000 ] - [ 0.0018970200000000, 0.0019943900000000, -0.0001031900000000 ] - [ -0.0007336800000000, 0.0029357000000000, -0.0002131500000000 ] - [ -0.0093586100000000, -0.0072916000000000, 0.0022145700000000 ] - [ 0.0000821600000000, 0.0029885700000000, -0.0001260500000000 ] - [ -0.0009844800000000, 0.0044938600000000, 0.0000030700000000 ] - [ 0.0008889700000000, -0.0002031800000000, -0.0003813500000000 ] - [ -0.0035465300000000, 0.0038595200000000, -0.0012521900000000 ] - [ -0.0108313600000000, 0.0125449900000000, 0.0074734600000000 ] - [ -0.0032971600000000, 0.0031454300000000, 0.0010519300000000 ] - [ 0.0002698000000000, 0.0017903600000000, 0.0003346600000000 ] - [ -0.0118657300000000, 0.0128804000000000, -0.0079663500000000 ] - [ 0.0002189800000000, 0.0017763400000000, -0.0003368500000000 ] - [ 0.0007254400000000, 0.0020154800000000, 0.0000103600000000 ] - [ 0.0007778800000000, 0.0020245200000000, 0.0000309800000000 ] - [ 0.0008797300000000, -0.0067746500000000, -0.0002028000000000 ] - [ 0.0003370300000000, 0.0027377500000000, 0.0001417000000000 ] - [ -0.0000240700000000, 0.0028959200000000, 0.0001182500000000 ] - [ -0.0015186600000000, 0.0002544900000000, 0.0002226200000000 ] - [ 0.0003688200000000, 0.0042452500000000, -0.0003721800000000 ] - [ 0.0002017900000000, 0.0039453500000000, 0.0000124000000000 ] - [ 0.0697194900000000, -0.3535362900000000, -0.0208255600000000 ] - [ -0.0005291000000000, 0.0032697800000000, -0.0000334900000000 ] - [ 0.0072740500000000, 0.0057755100000000, -0.0011667600000000 ] - [ -0.0001924100000000, 0.0022733800000000, -0.0001721300000000 ] - [ 0.0021077900000000, -0.0064736100000000, 0.0010900000000000 ] - [ -0.0003513200000000, 0.0031024600000000, -0.0002485800000000 ] - [ -0.0055133800000000, 0.0023057000000000, -0.0006560400000000 ] - [ -0.0074273200000000, -0.0217643200000000, -0.0126384800000000 ] - [ 0.0007734700000000, 0.0036503500000000, -0.0000787400000000 ] - [ 0.0074653600000000, 0.0080247700000000, 0.0006532300000000 ] - [ -0.0153408500000000, 0.0148688200000000, 0.0141436000000000 ] - [ 0.0344051500000000, 0.0175901700000000, -0.0073516000000000 ] - [ 0.0001228200000000, 0.0031001800000000, -0.0001298100000000 ] - [ -0.0016066900000000, 0.0022585200000000, 0.0005175400000000 ] - [ 0.0001069700000000, 0.0035240100000000, -0.0000589200000000 ] - [ -0.0014910100000000, 0.0063737500000000, -0.0003147600000000 ] - [ -0.0000879500000000, 0.0036770800000000, 0.0000669100000000 ] - [ 0.0006569100000000, 0.0045710700000000, -0.0000038000000000 ] - [ 0.0190789000000000, 0.0080111400000000, -0.0011958400000000 ] - [ 0.0055640500000000, -0.0048564600000000, 0.0003774800000000 ] - [ 0.0002027800000000, 0.0033112800000000, 0.0001452600000000 ] - [ 0.0032093300000000, -0.0029248400000000, 0.0002864500000000 ] - [ -0.0002517400000000, 0.0032003200000000, -0.0001672800000000 ] - [ -0.0005731600000000, 0.0033582600000000, -0.0000717100000000 ] - [ 0.0010270000000000, 0.0039457700000000, 0.0002046400000000 ] - [ -0.0074504100000000, -0.0007760200000000, -0.0008657900000000 ] - [ 0.0007148100000000, -0.0025343500000000, 0.0004278900000000 ] - [ 0.0020187200000000, -0.0013473500000000, -0.0004510900000000 ] - [ 0.0019038800000000, 0.0047718200000000, -0.0002840300000000 ] - [ 0.0000988000000000, -0.0044590600000000, 0.0001403500000000 ] - [ -0.0000863300000000, -0.0019405000000000, -0.0000941300000000 ] - [ -0.0006329100000000, -0.0032443800000000, -0.0000211300000000 ] - [ 0.0004365800000000, -0.0016304100000000, 0.0000777100000000 ] - [ -0.0036977500000000, 0.0047590400000000, 0.0010194800000000 ] - [ -0.0031408400000000, -0.0080802700000000, -0.0005701200000000 ] - [ 0.0016536600000000, -0.0037460600000000, -0.0000454600000000 ] - [ -0.0050828600000000, 0.0045124500000000, -0.0023156100000000 ] - [ 0.0024805700000000, -0.0029060200000000, 0.0001521500000000 ] - [ 0.0005827000000000, -0.0025337200000000, 0.0003420100000000 ] - [ 0.0000056400000000, -0.0024750700000000, -0.0000492100000000 ] - [ 0.0005182200000000, -0.0025369000000000, -0.0005499300000000 ] - [ -0.0010297200000000, -0.0030094200000000, 0.0000269800000000 ] - [ -0.0006253500000000, -0.0020672800000000, 0.0000602900000000 ] - [ 0.0002213200000000, -0.0027612200000000, 0.0003572500000000 ] - [ 0.0001902300000000, -0.0031367700000000, -0.0002038800000000 ] - [ -0.0015950600000000, -0.0019258200000000, -0.0000062200000000 ] - [ 0.0006747400000000, -0.0022781200000000, -0.0001986600000000 ] - [ 0.0003274700000000, -0.0025119800000000, -0.0000262800000000 ] - [ 0.0023839900000000, 0.0494827600000000, -0.0258558500000000 ] - [ 0.0079712200000000, -0.0040788800000000, -0.0041866700000000 ] - [ 0.0001305000000000, -0.0001178200000000, 0.0002407700000000 ] - [ -0.1212409800000000, 0.1331830100000000, 0.0155905400000000 ] - [ 0.0305358900000000, 0.0499231300000000, -0.0067814300000000 ] - [ 0.0010780900000000, -0.0031591900000000, 0.0000273400000000 ] - [ -0.0005815600000000, -0.0022381200000000, -0.0004217500000000 ] - [ -0.0012970800000000, -0.0025295100000000, 0.0001374200000000 ] - [ -0.0053512000000000, 0.0006376200000000, -0.0003943000000000 ] - [ -0.0007953200000000, -0.0069366100000000, 0.0001300100000000 ] - [ -0.0035295900000000, -0.0022438500000000, -0.0001380500000000 ] - [ -0.0014360700000000, 0.0062578000000000, 0.0044284800000000 ] - [ 0.0251523900000000, 0.0954374000000000, 0.0416982800000000 ] - [ 0.0006954000000000, -0.0017886200000000, 0.0005104400000000 ] - [ -0.0040684500000000, 0.0017158100000000, -0.0000104200000000 ] - [ -0.0016404800000000, -0.0038681400000000, 0.0007531100000000 ] - [ 0.0011843100000000, -0.0030476100000000, 0.0002461800000000 ] - [ 0.0029859400000000, 0.0017887700000000, -0.0000990700000000 ] - [ -0.0002924700000000, -0.0029641400000000, 0.0000869600000000 ] - [ -0.0128096100000000, 0.0064220100000000, 0.0016487900000000 ] - [ -0.0001408100000000, -0.0026372700000000, 0.0000146500000000 ] - [ -0.0087709700000000, -0.0076861100000000, -0.0015641300000000 ] - [ 0.0049125200000000, -0.0059935200000000, 0.0001379400000000 ] - [ 0.0004493500000000, -0.0025198700000000, -0.0003580200000000 ] - [ -0.0000586400000000, -0.0017269000000000, 0.0000103600000000 ] - [ -0.0001771600000000, -0.0050061700000000, 0.0002554800000000 ] - [ 0.0002360100000000, -0.0023882100000000, 0.0003280900000000 ] - [ 0.0034267300000000, 0.0012008000000000, -0.0002229000000000 ] - [ -0.0017296700000000, 0.0061771100000000, -0.0000493000000000 ] - [ -0.0006986400000000, 0.0016455700000000, 0.0001319900000000 ] - [ -0.0008573700000000, -0.0024873300000000, 0.0000344500000000 ] - [ 0.0094848200000000, 0.0006921400000000, 0.0004605000000000 ] - [ -0.0006095600000000, -0.0034276300000000, -0.0000126300000000 ] - [ -0.0006034800000000, -0.0019498600000000, 0.0000014400000000 ]- atom: 23 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0046763700000000, 0.0157505900000000, -0.0031845500000000 ] - [ -0.0000440800000000, -0.0031809200000000, -0.0001322700000000 ] - [ -0.0017372400000000, -0.0018427400000000, -0.0001489900000000 ] - [ 0.0008927100000000, -0.0030821200000000, -0.0000385800000000 ] - [ 0.0093541100000000, 0.0074718600000000, -0.0022338100000000 ] - [ -0.0000821600000000, -0.0028577800000000, 0.0001060200000000 ] - [ 0.0008162500000000, -0.0043403900000000, -0.0002542000000000 ] - [ -0.0010339500000000, 0.0000464100000000, 0.0001303600000000 ] - [ 0.0039825500000000, -0.0037746300000000, 0.0010889800000000 ] - [ 0.0102499500000000, -0.0126315500000000, -0.0075881400000000 ] - [ 0.0036035800000000, -0.0030616600000000, -0.0008504100000000 ] - [ -0.0005593900000000, -0.0016977000000000, -0.0001309600000000 ] - [ 0.0114025300000000, -0.0129641100000000, 0.0081223400000000 ] - [ -0.0006366300000000, -0.0016809100000000, 0.0001715900000000 ] - [ -0.0004316900000000, -0.0021054000000000, 0.0001943400000000 ] - [ -0.0003558700000000, -0.0021173700000000, -0.0001973000000000 ] - [ -0.0006701000000000, 0.0062117200000000, 0.0001583200000000 ] - [ -0.0004790900000000, -0.0022863300000000, -0.0000683400000000 ] - [ 0.0002361300000000, -0.0028432600000000, -0.0000141600000000 ] - [ 0.0021247100000000, -0.0005022900000000, -0.0004266600000000 ] - [ 0.0002277900000000, -0.0039867900000000, 0.0001682500000000 ] - [ 0.0000049000000000, -0.0033878000000000, -0.0000619200000000 ] - [ -0.0625571000000000, 0.3549623800000000, 0.0237150800000000 ] - [ 0.0003150100000000, -0.0033254200000000, 0.0001381900000000 ] - [ -0.0071128700000000, -0.0052977800000000, 0.0012425100000000 ] - [ 0.0003384200000000, -0.0027284600000000, 0.0002442900000000 ] - [ -0.0015436300000000, 0.0063612100000000, -0.0012023900000000 ] - [ -0.0000432300000000, -0.0033089700000000, -0.0001302600000000 ] - [ 0.0051168000000000, -0.0025273300000000, 0.0009582800000000 ] - [ 0.0069987600000000, 0.0218620300000000, 0.0122809500000000 ] - [ -0.0001952900000000, -0.0035348700000000, -0.0000325200000000 ] - [ -0.0072653200000000, -0.0080809000000000, -0.0005376800000000 ] - [ 0.0155341300000000, -0.0148531200000000, -0.0141990900000000 ] - [ -0.0342243300000000, -0.0178806900000000, 0.0069143700000000 ] - [ 0.0002717300000000, -0.0028925200000000, -0.0002488200000000 ] - [ 0.0020029500000000, -0.0020420100000000, -0.0002158400000000 ] - [ -0.0006866300000000, -0.0036335600000000, -0.0000528100000000 ] - [ 0.0013266400000000, -0.0068226800000000, 0.0003848300000000 ] - [ -0.0005082500000000, -0.0039223700000000, -0.0002687600000000 ] - [ -0.0002703300000000, -0.0047799300000000, 0.0003072900000000 ] - [ -0.0190970500000000, -0.0080024500000000, 0.0012612600000000 ] - [ -0.0061512500000000, 0.0049828800000000, -0.0004865900000000 ] - [ 0.0000341400000000, -0.0032923300000000, -0.0002255200000000 ] - [ -0.0034243900000000, 0.0034944900000000, -0.0003359200000000 ] - [ 0.0000169800000000, -0.0032159600000000, 0.0000868300000000 ] - [ 0.0003607700000000, -0.0039089900000000, 0.0000223600000000 ] - [ -0.0014072000000000, -0.0037129500000000, 0.0001007600000000 ] - [ 0.0068499100000000, 0.0010166400000000, 0.0006599100000000 ] - [ -0.0012151500000000, 0.0027689800000000, -0.0006797900000000 ] - [ -0.0023042600000000, 0.0015609800000000, 0.0009283400000000 ] - [ -0.0024963800000000, -0.0046181100000000, 0.0001216200000000 ] - [ 0.0001942600000000, 0.0046567100000000, 0.0003398500000000 ] - [ 0.0005966600000000, 0.0018419300000000, -0.0000051300000000 ] - [ 0.0005175000000000, 0.0034102300000000, -0.0000289100000000 ] - [ -0.0005076800000000, 0.0013819400000000, -0.0000049200000000 ] - [ 0.0035856500000000, -0.0049408100000000, -0.0010697100000000 ] - [ 0.0035684000000000, 0.0079865000000000, 0.0005838500000000 ] - [ -0.0015863600000000, 0.0035050700000000, 0.0001185600000000 ] - [ 0.0045981100000000, -0.0044113700000000, 0.0022526200000000 ] - [ -0.0022856600000000, 0.0028538000000000, 0.0000164000000000 ] - [ -0.0004657700000000, 0.0024612300000000, -0.0005435500000000 ] - [ 0.0004117900000000, 0.0025275700000000, 0.0000498400000000 ] - [ -0.0006357200000000, 0.0026074300000000, 0.0003477600000000 ] - [ 0.0010635300000000, 0.0027510400000000, 0.0000431500000000 ] - [ 0.0004123700000000, 0.0027770500000000, 0.0001044300000000 ] - [ -0.0005904400000000, 0.0026754500000000, 0.0002748000000000 ] - [ -0.0007873500000000, 0.0029888800000000, 0.0000395700000000 ] - [ 0.0013837200000000, 0.0018669900000000, 0.0001732200000000 ] - [ -0.0001018000000000, 0.0022580900000000, 0.0003247700000000 ] - [ 0.0004223500000000, 0.0017829400000000, -0.0003466400000000 ] - [ -0.0024218100000000, -0.0493800900000000, 0.0258176500000000 ] - [ -0.0079510500000000, 0.0043280600000000, 0.0042808800000000 ] - [ 0.0002351000000000, 0.0000317800000000, 0.0003911600000000 ] - [ 0.1158741300000000, -0.1306837200000000, -0.0148546400000000 ] - [ -0.0306172600000000, -0.0499526200000000, 0.0065766700000000 ] - [ -0.0004775700000000, 0.0032997900000000, -0.0001914800000000 ] - [ -0.0001636500000000, 0.0029670400000000, 0.0000484800000000 ] - [ 0.0014992200000000, 0.0025822400000000, 0.0000312200000000 ] - [ 0.0061111100000000, 0.0000834600000000, 0.0000216200000000 ] - [ 0.0007524200000000, 0.0071792500000000, -0.0000508000000000 ] - [ 0.0030062800000000, 0.0020169800000000, -0.0001122600000000 ] - [ 0.0009824000000000, -0.0063582000000000, -0.0045370700000000 ] - [ -0.0273508200000000, -0.0996571400000000, -0.0452414000000000 ] - [ -0.0004100000000000, 0.0015822600000000, -0.0000323300000000 ] - [ 0.0033391600000000, -0.0024110700000000, -0.0003438000000000 ] - [ 0.0013480400000000, 0.0036521700000000, -0.0002733800000000 ] - [ -0.0008124400000000, 0.0031249500000000, 0.0003856400000000 ] - [ -0.0033506700000000, -0.0016982100000000, 0.0007299400000000 ] - [ 0.0005024400000000, 0.0022492500000000, 0.0000783500000000 ] - [ 0.0133337900000000, -0.0063342900000000, -0.0017451200000000 ] - [ -0.0002762300000000, 0.0025854300000000, -0.0000139400000000 ] - [ 0.0093524900000000, 0.0076923800000000, 0.0016058700000000 ] - [ -0.0050722600000000, 0.0060947700000000, 0.0000338300000000 ] - [ 0.0000502700000000, 0.0022864000000000, 0.0001083600000000 ] - [ 0.0001246800000000, 0.0019752200000000, 0.0000621500000000 ] - [ 0.0006836000000000, 0.0052353000000000, -0.0005065800000000 ] - [ -0.0008090500000000, 0.0024070300000000, -0.0002016900000000 ] - [ -0.0032306700000000, -0.0004960800000000, 0.0003892100000000 ] - [ 0.0018506400000000, -0.0060080900000000, 0.0000035100000000 ] - [ 0.0012948300000000, -0.0017988900000000, -0.0002968500000000 ] - [ 0.0008201100000000, 0.0027414600000000, 0.0000359200000000 ] - [ -0.0096821600000000, -0.0013847500000000, -0.0002922900000000 ] - [ 0.0007256600000000, 0.0032560400000000, -0.0000369700000000 ] - [ 0.0000935200000000, 0.0020461700000000, -0.0001005900000000 ]- atom: 23 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0003705000000000, -0.0020313000000000, 0.0035440200000000 ] - [ 0.0000130400000000, 0.0001522100000000, -0.0000042300000000 ] - [ 0.0007366400000000, 0.0005200900000000, -0.0003249800000000 ] - [ -0.0000776400000000, -0.0001940300000000, -0.0001379000000000 ] - [ 0.0017417100000000, 0.0022021500000000, -0.0048593300000000 ] - [ 0.0000010000000000, 0.0001490200000000, -0.0000118000000000 ] - [ -0.0000190800000000, 0.0005981000000000, -0.0000823000000000 ] - [ 0.0001488500000000, -0.0001521100000000, 0.0003243100000000 ] - [ 0.0002429900000000, -0.0003089500000000, 0.0010200200000000 ] - [ -0.0056309400000000, 0.0056357600000000, 0.0046858800000000 ] - [ 0.0008293500000000, -0.0018168900000000, -0.0013445900000000 ] - [ -0.0002751400000000, -0.0000237300000000, 0.0002717200000000 ] - [ 0.0034395600000000, -0.0035986800000000, -0.0012789200000000 ] - [ -0.0002953200000000, 0.0000160300000000, -0.0002407800000000 ] - [ 0.0002615700000000, 0.0001100800000000, 0.0001250600000000 ] - [ 0.0003288300000000, 0.0001277000000000, -0.0001070000000000 ] - [ -0.0028029500000000, 0.0010306700000000, -0.0002583500000000 ] - [ 0.0001610400000000, 0.0001956000000000, 0.0000106800000000 ] - [ 0.0000818200000000, -0.0000215100000000, 0.0000735000000000 ] - [ 0.0011032200000000, -0.0000300500000000, -0.0002312600000000 ] - [ 0.0003303400000000, 0.0005830900000000, -0.0003036300000000 ] - [ 0.0004195400000000, 0.0003933600000000, -0.0001814900000000 ] - [ 0.0068388100000000, -0.0199104700000000, -0.2724477200000000 ] - [ -0.0001417500000000, 0.0003740300000000, 0.0000318000000000 ] - [ 0.0000346700000000, 0.0009553400000000, 0.0051518500000000 ] - [ -0.0001503100000000, 0.0000268300000000, 0.0000258500000000 ] - [ 0.0027769100000000, -0.0006497500000000, -0.0004415000000000 ] - [ -0.0001990500000000, 0.0001555700000000, -0.0001807200000000 ] - [ -0.0016674900000000, -0.0000884000000000, -0.0002987400000000 ] - [ 0.0142311400000000, 0.0162539800000000, 0.0419463600000000 ] - [ 0.0003610000000000, 0.0002444900000000, -0.0000069300000000 ] - [ -0.0000596600000000, -0.0009496400000000, 0.0045463800000000 ] - [ -0.0149962000000000, -0.0143526200000000, 0.0466246200000000 ] - [ 0.0095961700000000, 0.0041747300000000, -0.0163811500000000 ] - [ 0.0001771200000000, 0.0001596500000000, -0.0001846000000000 ] - [ 0.0007307400000000, 0.0001108400000000, 0.0001328500000000 ] - [ -0.0003322000000000, 0.0001304700000000, -0.0001034200000000 ] - [ -0.0025360300000000, 0.0012418800000000, -0.0016615100000000 ] - [ -0.0001747200000000, 0.0000682300000000, 0.0003008600000000 ] - [ 0.0000908100000000, 0.0003965900000000, 0.0006048100000000 ] - [ -0.0014392900000000, -0.0106629100000000, -0.0154157300000000 ] - [ 0.0016481400000000, -0.0004791200000000, 0.0001334200000000 ] - [ 0.0001820500000000, 0.0001941300000000, -0.0000075200000000 ] - [ 0.0004529200000000, 0.0005106100000000, 0.0000632800000000 ] - [ -0.0002158200000000, 0.0001181300000000, -0.0000290800000000 ] - [ -0.0002843300000000, -0.0000803900000000, 0.0000313500000000 ] - [ -0.0000292200000000, -0.0005334000000000, -0.0014425700000000 ] - [ -0.0012786500000000, 0.0001142800000000, 0.0005396800000000 ] - [ 0.0000505100000000, -0.0001863800000000, 0.0001033400000000 ] - [ 0.0004583200000000, -0.0000904600000000, -0.0000150700000000 ] - [ -0.0002870700000000, -0.0003254800000000, 0.0007379800000000 ] - [ 0.0005669600000000, -0.0007998100000000, 0.0003700500000000 ] - [ 0.0002807600000000, -0.0001084300000000, -0.0000469300000000 ] - [ -0.0000650800000000, -0.0000831100000000, -0.0000243900000000 ] - [ 0.0002267900000000, -0.0002556600000000, 0.0000624500000000 ] - [ -0.0013083400000000, 0.0003465700000000, 0.0006464000000000 ] - [ -0.0021236500000000, -0.0069521100000000, 0.0001285400000000 ] - [ 0.0010518800000000, 0.0001519200000000, -0.0000736400000000 ] - [ -0.0041935000000000, -0.0062684000000000, -0.0013010300000000 ] - [ -0.0007403600000000, 0.0007685100000000, 0.0001841300000000 ] - [ 0.0000793100000000, -0.0001255900000000, -0.0000880000000000 ] - [ 0.0001731900000000, -0.0000042400000000, -0.0000104700000000 ] - [ -0.0000079400000000, -0.0001216300000000, -0.0001189000000000 ] - [ -0.0001012600000000, -0.0003298300000000, 0.0000316900000000 ] - [ -0.0001326600000000, 0.0002808000000000, 0.0000468900000000 ] - [ -0.0005484300000000, 0.0004196400000000, 0.0003557600000000 ] - [ -0.0003215800000000, -0.0003009700000000, -0.0001139400000000 ] - [ 0.0001006900000000, 0.0003216300000000, 0.0004761300000000 ] - [ 0.0002852300000000, -0.0000561500000000, 0.0000530500000000 ] - [ 0.0004712700000000, -0.0003597600000000, -0.0001958800000000 ] - [ 0.0323932000000000, -0.0258632600000000, 0.0881420400000000 ] - [ 0.0013129300000000, 0.0076281900000000, -0.0084976100000000 ] - [ -0.0002733700000000, -0.0001854600000000, 0.0003101000000000 ] - [ -0.0184494900000000, 0.0154282800000000, 0.0292978200000000 ] - [ -0.0347659700000000, -0.0127153100000000, 0.0462713500000000 ] - [ 0.0004446700000000, -0.0002122200000000, -0.0000764600000000 ] - [ -0.0005491700000000, 0.0000879300000000, -0.0001898900000000 ] - [ -0.0000108800000000, -0.0002373800000000, -0.0000133600000000 ] - [ 0.0004408000000000, 0.0006044400000000, -0.0007636400000000 ] - [ -0.0007069500000000, -0.0007114600000000, -0.0002571600000000 ] - [ -0.0005295100000000, 0.0049283700000000, 0.0002386200000000 ] - [ -0.0084307500000000, -0.0014155800000000, -0.0045543700000000 ] - [ 0.0137581300000000, 0.0418054200000000, 0.0521925200000000 ] - [ -0.0001745700000000, -0.0000880100000000, 0.0001655200000000 ] - [ 0.0065643500000000, 0.0021212500000000, 0.0019927700000000 ] - [ -0.0001754100000000, -0.0010125400000000, 0.0001166800000000 ] - [ 0.0003085800000000, -0.0001155400000000, 0.0002920200000000 ] - [ 0.0012200400000000, 0.0004368200000000, -0.0000607600000000 ] - [ 0.0000417200000000, -0.0005732900000000, 0.0000963800000000 ] - [ -0.0052435100000000, 0.0006125000000000, 0.0019133900000000 ] - [ -0.0001781200000000, -0.0002754900000000, -0.0000057700000000 ] - [ 0.0045400300000000, 0.0047223800000000, 0.0001483200000000 ] - [ 0.0016673200000000, -0.0020816500000000, -0.0005704200000000 ] - [ 0.0000823700000000, -0.0000022300000000, -0.0000036500000000 ] - [ -0.0001774400000000, -0.0000182500000000, 0.0000326900000000 ] - [ 0.0006410600000000, 0.0005184200000000, -0.0002403900000000 ] - [ -0.0002292900000000, -0.0001692300000000, 0.0000703600000000 ] - [ -0.0007445700000000, 0.0004177100000000, 0.0000623800000000 ] - [ -0.0009472700000000, 0.0001899100000000, -0.0010004200000000 ] - [ -0.0004959600000000, -0.0004050100000000, -0.0002335300000000 ] - [ 0.0000573600000000, 0.0001273800000000, 0.0000284200000000 ] - [ 0.0010462200000000, -0.0002372300000000, 0.0017411000000000 ] - [ -0.0000341500000000, -0.0001986600000000, -0.0000193800000000 ] - [ -0.0003011100000000, -0.0000919600000000, -0.0000543900000000 ]- atom: 23 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0003330600000000, 0.0019021200000000, -0.0035656100000000 ] - [ -0.0000133200000000, -0.0002820700000000, -0.0000157200000000 ] - [ -0.0005759700000000, -0.0003721700000000, 0.0000716600000000 ] - [ 0.0002360900000000, 0.0000475100000000, -0.0001142100000000 ] - [ -0.0017799400000000, -0.0020468400000000, 0.0048022300000000 ] - [ -0.0000009900000000, -0.0000187600000000, -0.0000081400000000 ] - [ -0.0001449500000000, -0.0004494100000000, -0.0001690100000000 ] - [ -0.0003042300000000, 0.0000012500000000, -0.0005732000000000 ] - [ 0.0001790500000000, 0.0004012700000000, -0.0011899900000000 ] - [ 0.0051675300000000, -0.0056814600000000, -0.0048895100000000 ] - [ -0.0005352500000000, 0.0018975900000000, 0.0015521600000000 ] - [ -0.0000174600000000, 0.0001149400000000, -0.0000658600000000 ] - [ -0.0037592100000000, 0.0035362300000000, 0.0015322500000000 ] - [ -0.0001252700000000, 0.0000785700000000, 0.0000735900000000 ] - [ 0.0000320300000000, -0.0002018500000000, 0.0000806000000000 ] - [ 0.0000931100000000, -0.0002225600000000, -0.0000601600000000 ] - [ 0.0030098400000000, -0.0015785500000000, 0.0002139300000000 ] - [ -0.0003052300000000, 0.0002523000000000, 0.0000632100000000 ] - [ 0.0001274200000000, 0.0000718400000000, 0.0000303500000000 ] - [ -0.0005010400000000, -0.0002255600000000, 0.0000265700000000 ] - [ 0.0002681000000000, -0.0003257000000000, 0.0000987500000000 ] - [ -0.0002100500000000, 0.0001589500000000, 0.0001307400000000 ] - [ -0.0120674400000000, 0.0245309400000000, 0.2675443700000000 ] - [ -0.0000691600000000, -0.0004277300000000, 0.0000721300000000 ] - [ 0.0001243200000000, -0.0004828000000000, -0.0050535400000000 ] - [ 0.0002955200000000, -0.0004775900000000, 0.0000484300000000 ] - [ -0.0021938300000000, 0.0005419600000000, 0.0003193900000000 ] - [ -0.0001938000000000, -0.0003617100000000, -0.0001978100000000 ] - [ 0.0012794100000000, -0.0001266100000000, 0.0006020200000000 ] - [ -0.0143079600000000, -0.0160297800000000, -0.0420568400000000 ] - [ 0.0002165900000000, -0.0001318700000000, -0.0001045700000000 ] - [ 0.0002582500000000, 0.0008753000000000, -0.0044079300000000 ] - [ 0.0152893800000000, 0.0139896400000000, -0.0465071500000000 ] - [ -0.0091601200000000, -0.0042886100000000, 0.0159278200000000 ] - [ 0.0002155400000000, 0.0000456700000000, -0.0001941000000000 ] - [ -0.0003412400000000, 0.0001012000000000, 0.0001699400000000 ] - [ -0.0002461900000000, -0.0002418600000000, -0.0000088700000000 ] - [ 0.0023818800000000, -0.0016891000000000, 0.0017244900000000 ] - [ -0.0004216400000000, -0.0003209400000000, -0.0005006200000000 ] - [ 0.0002970000000000, -0.0006086000000000, -0.0002981500000000 ] - [ 0.0011446000000000, 0.0106233100000000, 0.0154259400000000 ] - [ -0.0022208500000000, 0.0005939900000000, -0.0002447800000000 ] - [ 0.0000545200000000, -0.0001765800000000, -0.0000725300000000 ] - [ -0.0006668700000000, 0.0000479000000000, -0.0001128900000000 ] - [ -0.0000204000000000, -0.0001360100000000, -0.0000511000000000 ] - [ 0.0000744300000000, -0.0004713000000000, -0.0000804000000000 ] - [ -0.0003590800000000, 0.0007422700000000, 0.0017359000000000 ] - [ 0.0006761300000000, 0.0001395800000000, -0.0007453300000000 ] - [ -0.0005522300000000, 0.0004206700000000, -0.0003550300000000 ] - [ -0.0007465200000000, 0.0002950400000000, 0.0004955500000000 ] - [ -0.0003088200000000, 0.0004671800000000, -0.0008989400000000 ] - [ -0.0002768600000000, 0.0009975900000000, 0.0001092900000000 ] - [ 0.0002303200000000, 0.0000089200000000, -0.0000523600000000 ] - [ -0.0000502100000000, 0.0002515300000000, -0.0000256900000000 ] - [ -0.0002979700000000, 0.0000057300000000, 0.0000108000000000 ] - [ 0.0011953100000000, -0.0005218300000000, -0.0006948600000000 ] - [ 0.0025309000000000, 0.0068587000000000, -0.0001191200000000 ] - [ -0.0009802100000000, -0.0003997800000000, 0.0001462200000000 ] - [ 0.0037340300000000, 0.0062666200000000, 0.0012784600000000 ] - [ 0.0009405300000000, -0.0008235300000000, -0.0000151100000000 ] - [ 0.0000373800000000, 0.0000543400000000, -0.0001130500000000 ] - [ 0.0002443900000000, 0.0000574800000000, 0.0000103500000000 ] - [ -0.0001089500000000, 0.0001934000000000, -0.0000820000000000 ] - [ 0.0001380900000000, 0.0000734000000000, 0.0000389500000000 ] - [ -0.0000748800000000, 0.0004350500000000, 0.0001183300000000 ] - [ 0.0001759300000000, -0.0004961300000000, 0.0002769200000000 ] - [ -0.0002786400000000, 0.0001571900000000, -0.0000511000000000 ] - [ -0.0003007000000000, -0.0003758800000000, -0.0003051100000000 ] - [ 0.0002873800000000, 0.0000375300000000, 0.0000725100000000 ] - [ 0.0002779200000000, -0.0003680000000000, -0.0001779900000000 ] - [ -0.0296034400000000, 0.0237508100000000, -0.0820082600000000 ] - [ -0.0012751800000000, -0.0073858200000000, 0.0085044500000000 ] - [ 0.0006444700000000, 0.0001063900000000, 0.0003231900000000 ] - [ 0.0195798300000000, -0.0167520300000000, -0.0295771200000000 ] - [ 0.0357644400000000, 0.0133689200000000, -0.0466701600000000 ] - [ 0.0001564700000000, 0.0003531000000000, -0.0000882700000000 ] - [ -0.0001984600000000, 0.0006404400000000, -0.0001842100000000 ] - [ 0.0002094600000000, 0.0002928800000000, 0.0001809600000000 ] - [ 0.0003198900000000, 0.0001247200000000, 0.0003873200000000 ] - [ 0.0006471200000000, 0.0009415300000000, 0.0003280800000000 ] - [ 0.0000265200000000, -0.0051423500000000, -0.0004946300000000 ] - [ 0.0079188000000000, 0.0012998100000000, 0.0044008300000000 ] - [ -0.0145157400000000, -0.0436486200000000, -0.0531757700000000 ] - [ 0.0004617600000000, -0.0001138900000000, 0.0003132200000000 ] - [ -0.0072873300000000, -0.0028362500000000, -0.0023426100000000 ] - [ -0.0001151600000000, 0.0008005500000000, 0.0003640100000000 ] - [ 0.0000620900000000, 0.0001946700000000, 0.0003406300000000 ] - [ -0.0015910200000000, -0.0003575800000000, 0.0006907700000000 ] - [ 0.0001646900000000, -0.0001433500000000, 0.0000695900000000 ] - [ 0.0057547800000000, -0.0005216700000000, -0.0020071700000000 ] - [ -0.0002382900000000, 0.0002236900000000, 0.0000057600000000 ] - [ -0.0039188100000000, -0.0046408800000000, -0.0000758500000000 ] - [ -0.0018795400000000, 0.0021675900000000, 0.0007399400000000 ] - [ 0.0004184400000000, -0.0002288000000000, -0.0002459700000000 ] - [ 0.0002469300000000, 0.0002685400000000, 0.0000404600000000 ] - [ -0.0001387300000000, -0.0002770700000000, -0.0000104000000000 ] - [ -0.0003432400000000, 0.0001885800000000, 0.0000551800000000 ] - [ 0.0009475100000000, 0.0002990800000000, 0.0001033300000000 ] - [ 0.0010583200000000, -0.0000245500000000, 0.0009477500000000 ] - [ 0.0010943800000000, 0.0002600700000000, 0.0000677500000000 ] - [ -0.0000947100000000, 0.0001292000000000, 0.0000424000000000 ] - [ -0.0012446100000000, -0.0004719500000000, -0.0015755000000000 ] - [ 0.0001496400000000, 0.0000295600000000, -0.0000303300000000 ] - [ -0.0002097600000000, 0.0001911400000000, -0.0000448700000000 ]- atom: 27 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0197574200000000, -0.0020814400000000, -0.0004028400000000 ] - [ 0.0002042000000000, -0.0003759200000000, -0.0000212600000000 ] - [ 0.0011016500000000, -0.0021726400000000, -0.0002648300000000 ] - [ -0.0002243700000000, 0.0006225500000000, -0.0001761300000000 ] - [ 0.0009880000000000, 0.0132830200000000, -0.0044860200000000 ] - [ -0.0001635500000000, -0.0005786600000000, 0.0000126400000000 ] - [ 0.0018495000000000, -0.0000420700000000, -0.0001881800000000 ] - [ -0.0076442900000000, -0.0061947600000000, 0.0005480700000000 ] - [ -0.0002513200000000, 0.0038774700000000, -0.0015836500000000 ] - [ 0.0049161900000000, -0.0006117500000000, -0.0016272700000000 ] - [ -0.0003709200000000, 0.0041641500000000, 0.0016196800000000 ] - [ -0.0013103800000000, -0.0004826300000000, 0.0005897100000000 ] - [ 0.0049488700000000, -0.0002149500000000, 0.0015952600000000 ] - [ -0.0013676700000000, -0.0005310500000000, -0.0005696900000000 ] - [ 0.0002766800000000, -0.0005333800000000, 0.0001246900000000 ] - [ 0.0003429700000000, -0.0005236900000000, -0.0001080200000000 ] - [ -0.0256610200000000, 0.0137577400000000, -0.0091724300000000 ] - [ -0.0002672000000000, -0.0010405000000000, -0.0000900500000000 ] - [ -0.0005353400000000, -0.0005159900000000, 0.0002262000000000 ] - [ -0.0112500900000000, -0.0027011900000000, -0.0012830400000000 ] - [ 0.0007095100000000, -0.0000244700000000, -0.0001728700000000 ] - [ 0.0015811000000000, -0.0007672500000000, -0.0000363700000000 ] - [ 0.0115147100000000, 0.0018280600000000, 0.0024593900000000 ] - [ 0.0010340100000000, 0.0010653400000000, 0.0001925400000000 ] - [ 0.0066081500000000, -0.0060234200000000, -0.0033858400000000 ] - [ -0.0019575000000000, 0.0032068800000000, 0.0007761900000000 ] - [ -0.3638210500000000, -0.0060204700000000, -0.0078730100000000 ] - [ 0.0001092700000000, 0.0002886300000000, -0.0000349700000000 ] - [ 0.0042957500000000, 0.0028045500000000, 0.0000942800000000 ] - [ 0.0445778300000000, -0.0124361700000000, -0.0013699700000000 ] - [ 0.0008841200000000, -0.0007270700000000, -0.0001736400000000 ] - [ 0.0063193200000000, 0.0001299500000000, -0.0002086300000000 ] - [ 0.0087063900000000, 0.0058676300000000, -0.0019809400000000 ] - [ 0.0101985100000000, 0.0000524100000000, -0.0004834700000000 ] - [ -0.0001201900000000, -0.0004531600000000, -0.0001775200000000 ] - [ -0.0049653500000000, -0.0013476500000000, 0.0016473300000000 ] - [ -0.0004787700000000, -0.0005650800000000, -0.0000611700000000 ] - [ 0.0026579300000000, -0.0000049400000000, 0.0000598800000000 ] - [ -0.0005466900000000, -0.0026031500000000, -0.0005914400000000 ] - [ 0.0010467400000000, -0.0003999600000000, 0.0002970600000000 ] - [ -0.0040420800000000, -0.0090638600000000, 0.0045487000000000 ] - [ 0.0149940100000000, -0.0090666900000000, -0.0072179700000000 ] - [ -0.0000611900000000, -0.0003888800000000, 0.0000027900000000 ] - [ 0.0042159100000000, -0.0174726700000000, 0.0053368700000000 ] - [ -0.0007377800000000, -0.0004941600000000, 0.0000322500000000 ] - [ -0.0000424700000000, -0.0006612600000000, -0.0000235500000000 ] - [ -0.0008121700000000, -0.0038244400000000, 0.0001505100000000 ] - [ 0.0142124400000000, 0.0162956000000000, 0.0008410700000000 ] - [ -0.0010543400000000, -0.0019276800000000, -0.0002409400000000 ] - [ -0.0021644400000000, -0.0052715800000000, 0.0006161200000000 ] - [ 0.0470247800000000, 0.0251877400000000, -0.0115376900000000 ] - [ -0.0004960500000000, 0.0000645600000000, 0.0000191300000000 ] - [ 0.0005311700000000, 0.0002847400000000, -0.0000478000000000 ] - [ -0.0000356900000000, 0.0006221500000000, -0.0000110000000000 ] - [ 0.0019539100000000, -0.0003625700000000, -0.0000881900000000 ] - [ 0.0377742000000000, -0.0207618200000000, -0.0161202900000000 ] - [ -0.0030340800000000, 0.0002639100000000, -0.0005649600000000 ] - [ -0.0014958700000000, -0.0018557200000000, 0.0000627200000000 ] - [ -0.0089928300000000, 0.0137758700000000, -0.0016738300000000 ] - [ 0.0028124800000000, -0.0022202800000000, 0.0000475200000000 ] - [ 0.0002015500000000, 0.0003382300000000, -0.0002253000000000 ] - [ 0.0006107600000000, 0.0006935200000000, 0.0000403200000000 ] - [ 0.0000971500000000, 0.0001537500000000, -0.0000060500000000 ] - [ 0.0001656500000000, 0.0003453600000000, 0.0000269400000000 ] - [ 0.0007656900000000, 0.0012726500000000, 0.0001595600000000 ] - [ -0.0010510500000000, 0.0016707900000000, 0.0002792400000000 ] - [ -0.0010847300000000, 0.0012234900000000, -0.0000971000000000 ] - [ 0.0014158300000000, 0.0016980900000000, 0.0001745100000000 ] - [ 0.0004339100000000, 0.0004369300000000, 0.0001035200000000 ] - [ 0.0007412200000000, -0.0002295100000000, -0.0001766200000000 ] - [ -0.0126425700000000, -0.0040249500000000, -0.0018234500000000 ] - [ -0.0037689100000000, -0.0059774600000000, 0.0002105000000000 ] - [ 0.0055311800000000, 0.0077122500000000, 0.0002712200000000 ] - [ -0.0071830400000000, 0.0019520000000000, -0.0001064800000000 ] - [ -0.0103784300000000, 0.0040562500000000, 0.0075453700000000 ] - [ 0.0001467500000000, 0.0003952600000000, -0.0000950600000000 ] - [ -0.0016951000000000, 0.0002647200000000, -0.0001882300000000 ] - [ -0.0004122500000000, 0.0006513800000000, 0.0000911900000000 ] - [ -0.0060599900000000, 0.0041034300000000, -0.0000468700000000 ] - [ -0.0062184800000000, 0.0006435700000000, 0.0006995300000000 ] - [ -0.0003680000000000, 0.0043974000000000, -0.0006248200000000 ] - [ 0.1899832200000000, -0.0024844100000000, 0.0118594500000000 ] - [ -0.0066653100000000, -0.0031490700000000, 0.0005152800000000 ] - [ 0.0025419200000000, 0.0011690200000000, 0.0001891800000000 ] - [ 0.0171951000000000, 0.0043380400000000, 0.0040743300000000 ] - [ -0.0009121400000000, 0.0038747800000000, 0.0005745700000000 ] - [ -0.0002088400000000, 0.0003018400000000, 0.0003767400000000 ] - [ -0.0012641300000000, -0.0060786300000000, -0.0000195300000000 ] - [ -0.0002624300000000, -0.0000648800000000, 0.0001010000000000 ] - [ -0.0091912700000000, 0.0022865000000000, 0.0005118300000000 ] - [ -0.0005277200000000, -0.0012678000000000, -0.0000555900000000 ] - [ -0.0064186500000000, -0.0017052200000000, -0.0007289300000000 ] - [ -0.0035137800000000, 0.0003909700000000, 0.0002689200000000 ] - [ 0.0015100400000000, 0.0011624600000000, -0.0005589200000000 ] - [ 0.0000867600000000, 0.0008795500000000, 0.0000887800000000 ] - [ -0.0015452000000000, 0.0004868300000000, 0.0002564400000000 ] - [ -0.0002495100000000, -0.0002588600000000, 0.0000474200000000 ] - [ 0.0047402700000000, -0.0059443100000000, 0.0001492200000000 ] - [ 0.0448607900000000, -0.0052919400000000, 0.0254811900000000 ] - [ 0.0035956300000000, 0.0073778300000000, 0.0027813800000000 ] - [ 0.0008341900000000, 0.0009092500000000, 0.0000255600000000 ] - [ -0.0070719800000000, -0.0035006900000000, 0.0001265600000000 ] - [ -0.0001649000000000, 0.0005673700000000, -0.0000509100000000 ] - [ -0.0008421900000000, 0.0001263100000000, -0.0000770600000000 ]- atom: 27 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0195006600000000, 0.0018998400000000, 0.0003685400000000 ] - [ -0.0002044300000000, 0.0002442200000000, 0.0000011600000000 ] - [ -0.0009481600000000, 0.0023234400000000, 0.0000124000000000 ] - [ 0.0003834100000000, -0.0007719900000000, -0.0000751400000000 ] - [ -0.0009838300000000, -0.0132088600000000, 0.0045309500000000 ] - [ 0.0001632900000000, 0.0007078300000000, -0.0000325900000000 ] - [ -0.0020133500000000, 0.0001915700000000, -0.0000634600000000 ] - [ 0.0075128200000000, 0.0060583900000000, -0.0007996600000000 ] - [ 0.0006734200000000, -0.0037909600000000, 0.0014191300000000 ] - [ -0.0053334400000000, 0.0005222400000000, 0.0014498500000000 ] - [ 0.0006651800000000, -0.0040803800000000, -0.0014167500000000 ] - [ 0.0010207500000000, 0.0005730200000000, -0.0003864200000000 ] - [ -0.0052393600000000, 0.0001293400000000, -0.0013803100000000 ] - [ 0.0009499400000000, 0.0006250600000000, 0.0004048400000000 ] - [ 0.0000156700000000, 0.0004418400000000, 0.0000810500000000 ] - [ 0.0000776600000000, 0.0004286900000000, -0.0000593600000000 ] - [ 0.0259137300000000, -0.0144098800000000, 0.0091340900000000 ] - [ 0.0001237700000000, 0.0014889300000000, 0.0001632900000000 ] - [ 0.0007428300000000, 0.0005646000000000, -0.0001221800000000 ] - [ 0.0118808600000000, 0.0024554700000000, 0.0010727800000000 ] - [ -0.0001123600000000, 0.0002791000000000, -0.0000308700000000 ] - [ -0.0013774100000000, 0.0013184200000000, -0.0000135500000000 ] - [ -0.0117541500000000, -0.0018230300000000, -0.0025117900000000 ] - [ -0.0012453500000000, -0.0011207900000000, -0.0000872800000000 ] - [ -0.0064691400000000, 0.0064835700000000, 0.0034604400000000 ] - [ 0.0021093600000000, -0.0036691900000000, -0.0007086800000000 ] - [ 0.3779792300000000, 0.0062682800000000, 0.0098109300000000 ] - [ -0.0005017100000000, -0.0004985400000000, -0.0003448500000000 ] - [ -0.0047050200000000, -0.0030219800000000, 0.0002185400000000 ] - [ -0.0452856900000000, 0.0126075200000000, 0.0009213200000000 ] - [ -0.0003094100000000, 0.0008382300000000, 0.0000615100000000 ] - [ -0.0061202500000000, -0.0001885100000000, 0.0003152100000000 ] - [ -0.0084705200000000, -0.0058478300000000, 0.0018874900000000 ] - [ -0.0097953600000000, -0.0002621100000000, 0.0001003300000000 ] - [ 0.0005129100000000, 0.0006574300000000, -0.0002013800000000 ] - [ 0.0053574700000000, 0.0015599700000000, -0.0013431500000000 ] - [ -0.0000981100000000, 0.0004519700000000, -0.0000508700000000 ] - [ -0.0028048200000000, -0.0004468400000000, 0.0000139400000000 ] - [ -0.0000500900000000, 0.0023495100000000, 0.0003877400000000 ] - [ -0.0006609900000000, 0.0001860800000000, 0.0000059500000000 ] - [ 0.0037870500000000, 0.0090996000000000, -0.0044344800000000 ] - [ -0.0156448700000000, 0.0090980900000000, 0.0071097800000000 ] - [ 0.0002986200000000, 0.0004046800000000, -0.0000833500000000 ] - [ -0.0044416600000000, 0.0180139200000000, -0.0054008300000000 ] - [ 0.0005026200000000, 0.0004747400000000, -0.0001123700000000 ] - [ -0.0001637400000000, 0.0001085100000000, -0.0000267700000000 ] - [ 0.0004257600000000, 0.0040429800000000, 0.0001549400000000 ] - [ -0.0148655500000000, -0.0159167000000000, -0.0010532000000000 ] - [ 0.0005583500000000, 0.0021644500000000, -0.0000069200000000 ] - [ 0.0018990800000000, 0.0055219700000000, -0.0001336800000000 ] - [ -0.0475246700000000, -0.0241982200000000, 0.0109481100000000 ] - [ 0.0007843900000000, 0.0001402100000000, 0.0004594200000000 ] - [ -0.0000191900000000, -0.0003865400000000, -0.0000510800000000 ] - [ -0.0000787900000000, -0.0004513400000000, -0.0000389700000000 ] - [ -0.0020318000000000, 0.0001159400000000, 0.0001619700000000 ] - [ -0.0374612500000000, 0.0194764200000000, 0.0154981300000000 ] - [ 0.0034547000000000, -0.0003121200000000, 0.0005673000000000 ] - [ 0.0015706000000000, 0.0016099700000000, 0.0000110300000000 ] - [ 0.0085979900000000, -0.0137141300000000, 0.0016750500000000 ] - [ -0.0026242400000000, 0.0021717100000000, 0.0001215000000000 ] - [ -0.0000861200000000, -0.0004094300000000, 0.0000244400000000 ] - [ -0.0001944200000000, -0.0006409400000000, -0.0000409100000000 ] - [ -0.0002145200000000, -0.0000788200000000, -0.0001945300000000 ] - [ -0.0001238700000000, -0.0005995700000000, 0.0000440300000000 ] - [ -0.0009706200000000, -0.0005549100000000, 0.0000067900000000 ] - [ 0.0006817400000000, -0.0017515700000000, 0.0003543800000000 ] - [ 0.0004845100000000, -0.0013654800000000, -0.0000681500000000 ] - [ -0.0016127600000000, -0.0017574800000000, -0.0000059000000000 ] - [ 0.0001373500000000, -0.0004540700000000, 0.0000222500000000 ] - [ 0.0000075400000000, -0.0004964700000000, -0.0001977200000000 ] - [ 0.0124459800000000, 0.0039357100000000, 0.0015958500000000 ] - [ 0.0038250300000000, 0.0062383200000000, -0.0001377000000000 ] - [ -0.0051716500000000, -0.0077984200000000, 0.0003619200000000 ] - [ 0.0071345200000000, -0.0022051800000000, 0.0001721800000000 ] - [ 0.0098191100000000, -0.0040602800000000, -0.0074126300000000 ] - [ 0.0004541600000000, -0.0002519300000000, -0.0000701800000000 ] - [ 0.0009501100000000, 0.0004634700000000, -0.0001860400000000 ] - [ 0.0006078000000000, -0.0005956600000000, 0.0000771100000000 ] - [ 0.0068382700000000, -0.0033777800000000, -0.0003166700000000 ] - [ 0.0061423400000000, -0.0003983700000000, -0.0006252900000000 ] - [ -0.0001251000000000, -0.0046361800000000, 0.0003772000000000 ] - [ -0.2043169200000000, 0.0024825300000000, -0.0133334100000000 ] - [ 0.0067777900000000, 0.0032166300000000, -0.0007193400000000 ] - [ -0.0022602900000000, -0.0013751400000000, 0.0002891800000000 ] - [ -0.0179639500000000, -0.0051111900000000, -0.0044618000000000 ] - [ 0.0006241500000000, -0.0040781000000000, -0.0000962000000000 ] - [ 0.0005793200000000, -0.0002219500000000, 0.0002563600000000 ] - [ 0.0009078100000000, 0.0061736900000000, 0.0006292400000000 ] - [ 0.0004666600000000, -0.0006514400000000, 0.0000652700000000 ] - [ 0.0097106300000000, -0.0021676700000000, -0.0006150700000000 ] - [ 0.0001134900000000, 0.0012258100000000, 0.0000550000000000 ] - [ 0.0069794100000000, 0.0017239600000000, 0.0008586500000000 ] - [ 0.0033300000000000, -0.0003423700000000, -0.0001010000000000 ] - [ -0.0010116500000000, -0.0013933000000000, 0.0003100700000000 ] - [ -0.0000143200000000, -0.0006295200000000, -0.0000154600000000 ] - [ 0.0020473100000000, -0.0002532900000000, -0.0005062800000000 ] - [ -0.0003226900000000, 0.0002796700000000, 0.0000781000000000 ] - [ -0.0045490300000000, 0.0066801800000000, 0.0000188300000000 ] - [ -0.0448505300000000, 0.0054681000000000, -0.0251656900000000 ] - [ -0.0029983200000000, -0.0075507800000000, -0.0029532100000000 ] - [ -0.0008773700000000, -0.0006536900000000, 0.0000455400000000 ] - [ 0.0068639900000000, 0.0027536900000000, 0.0000421800000000 ] - [ 0.0002810200000000, -0.0007363500000000, 0.0000014000000000 ] - [ 0.0003319900000000, -0.0000222700000000, -0.0000215600000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0029960300000000, -0.0141720200000000, -0.0011186300000000 ] - [ 0.0001017100000000, 0.0028483600000000, 0.0000929800000000 ] - [ -0.0015706100000000, 0.0036998900000000, 0.0000754600000000 ] - [ 0.0005482900000000, 0.0021972200000000, -0.0001071900000000 ] - [ 0.0115209700000000, -0.0095531800000000, -0.0005912700000000 ] - [ -0.0000388500000000, 0.0029346600000000, -0.0001155300000000 ] - [ 0.0010766000000000, 0.0019654800000000, -0.0001339500000000 ] - [ -0.0062338600000000, 0.0096531700000000, 0.0006631100000000 ] - [ 0.0023143400000000, -0.0004319600000000, 0.0010663300000000 ] - [ 0.0033794400000000, -0.0019380200000000, -0.0021095600000000 ] - [ 0.0024003900000000, -0.0003888300000000, -0.0010651900000000 ] - [ -0.0007118300000000, 0.0023073900000000, 0.0007409300000000 ] - [ 0.0032062700000000, -0.0020359300000000, 0.0021153300000000 ] - [ -0.0007980200000000, 0.0023104500000000, -0.0007433100000000 ] - [ 0.0000748500000000, 0.0021353500000000, -0.0002476100000000 ] - [ 0.0001340800000000, 0.0021210200000000, 0.0002834000000000 ] - [ -0.0037542100000000, -0.0073679400000000, -0.0204575400000000 ] - [ -0.0001247200000000, 0.0049783800000000, 0.0000060200000000 ] - [ 0.0008604100000000, 0.0036656500000000, -0.0000952000000000 ] - [ 0.0073834300000000, 0.0069798000000000, 0.0015262200000000 ] - [ -0.0000412400000000, 0.0027277100000000, -0.0000890600000000 ] - [ 0.0006505800000000, 0.0030355500000000, 0.0000399000000000 ] - [ -0.0003602700000000, -0.0064144300000000, -0.0006318200000000 ] - [ 0.0011826000000000, 0.0038802300000000, -0.0000489500000000 ] - [ 0.0005849400000000, -0.0000653900000000, -0.0014987500000000 ] - [ -0.0000856300000000, 0.0061003400000000, 0.0010689900000000 ] - [ -0.0089824700000000, -0.2626546900000000, 0.0144320900000000 ] - [ 0.0000387800000000, 0.0036496800000000, -0.0000781300000000 ] - [ 0.0055837500000000, 0.0062466300000000, -0.0012296300000000 ] - [ -0.0029784300000000, -0.0012096600000000, -0.0021380000000000 ] - [ 0.0010716100000000, 0.0029564100000000, -0.0001349300000000 ] - [ -0.0068160700000000, 0.0000904800000000, 0.0002219800000000 ] - [ -0.0017129000000000, -0.0049211700000000, 0.0004934600000000 ] - [ -0.0065785300000000, -0.0011084900000000, -0.0007085200000000 ] - [ 0.0002029700000000, 0.0035644000000000, -0.0001592300000000 ] - [ 0.0039605500000000, 0.0050970400000000, -0.0008476900000000 ] - [ 0.0002185300000000, 0.0029415900000000, -0.0000176500000000 ] - [ -0.0005042900000000, 0.0015522300000000, 0.0004828400000000 ] - [ -0.0009893800000000, 0.0016943500000000, -0.0003110500000000 ] - [ -0.0005411600000000, 0.0023174800000000, 0.0000397500000000 ] - [ -0.0115920700000000, -0.0024712300000000, 0.0012685800000000 ] - [ -0.0093409100000000, -0.0154198500000000, 0.0192725800000000 ] - [ -0.0000187300000000, 0.0035885100000000, 0.0001460700000000 ] - [ -0.0105626400000000, 0.0280007600000000, -0.0044211700000000 ] - [ -0.0002814800000000, 0.0035851400000000, -0.0002283600000000 ] - [ 0.0000681800000000, 0.0027040600000000, -0.0000858400000000 ] - [ -0.0015876500000000, 0.0012415800000000, 0.0002588400000000 ] - [ 0.0234165800000000, 0.0198487000000000, 0.0089224400000000 ] - [ -0.0015605300000000, -0.0038973800000000, -0.0003819600000000 ] - [ -0.0034466800000000, -0.0080146200000000, 0.0002916500000000 ] - [ 0.0317841400000000, 0.0906648000000000, -0.0247815700000000 ] - [ 0.0002449300000000, -0.0021448300000000, 0.0002830700000000 ] - [ -0.0002561100000000, -0.0019350500000000, -0.0000859400000000 ] - [ -0.0007191500000000, -0.0027146000000000, 0.0000111300000000 ] - [ 0.0009661900000000, -0.0036019800000000, -0.0001767200000000 ] - [ -0.0224275700000000, 0.0764768600000000, 0.0141039800000000 ] - [ 0.0025660800000000, -0.0002779000000000, 0.0009739500000000 ] - [ -0.0008354300000000, -0.0008653600000000, -0.0000813900000000 ] - [ 0.0004942600000000, 0.0052726300000000, -0.0016258300000000 ] - [ -0.0018937800000000, -0.0009389500000000, 0.0001064500000000 ] - [ 0.0007137000000000, -0.0028166400000000, 0.0003743400000000 ] - [ -0.0004114900000000, -0.0032996600000000, -0.0000590100000000 ] - [ 0.0005974500000000, -0.0028337600000000, -0.0005807800000000 ] - [ -0.0007807300000000, -0.0030430800000000, 0.0000213400000000 ] - [ 0.0007452800000000, -0.0017623100000000, 0.0001567200000000 ] - [ 0.0005496800000000, -0.0016312700000000, 0.0004615000000000 ] - [ 0.0000307200000000, -0.0022065200000000, -0.0001734900000000 ] - [ 0.0007451900000000, -0.0019784300000000, 0.0002252200000000 ] - [ 0.0007174700000000, -0.0026925400000000, -0.0002065600000000 ] - [ -0.0004467800000000, -0.0024577200000000, -0.0000612300000000 ] - [ 0.0020714400000000, 0.0037933200000000, 0.0002438000000000 ] - [ -0.0008370000000000, 0.0030708100000000, -0.0001670600000000 ] - [ -0.0031604700000000, -0.0081895600000000, 0.0002142300000000 ] - [ -0.0022451500000000, 0.0049321100000000, 0.0000903700000000 ] - [ 0.0015130100000000, 0.0050478000000000, 0.0011038400000000 ] - [ 0.0007859700000000, -0.0023893600000000, 0.0000268800000000 ] - [ -0.0016110000000000, -0.0016991100000000, -0.0002526200000000 ] - [ 0.0001565400000000, -0.0022650900000000, 0.0000171600000000 ] - [ 0.0094617300000000, -0.0049475900000000, 0.0000106300000000 ] - [ -0.0023156800000000, 0.0000454700000000, 0.0003822100000000 ] - [ 0.0016086100000000, -0.0004110600000000, -0.0004075500000000 ] - [ -0.0030833600000000, 0.0312852700000000, -0.0008420100000000 ] - [ 0.0033649000000000, 0.0044827000000000, 0.0004973800000000 ] - [ -0.0010420400000000, -0.0043470200000000, 0.0001840600000000 ] - [ 0.0120821800000000, 0.0012311400000000, 0.0016889200000000 ] - [ 0.0000298200000000, -0.0009177100000000, 0.0002245400000000 ] - [ 0.0009852200000000, -0.0020301000000000, 0.0001855100000000 ] - [ -0.0042500500000000, -0.0040010600000000, 0.0021807700000000 ] - [ 0.0004127900000000, -0.0026198500000000, 0.0000494300000000 ] - [ 0.0099002500000000, 0.0029010900000000, -0.0051568500000000 ] - [ -0.0012074500000000, -0.0041259500000000, 0.0000745300000000 ] - [ 0.0034239900000000, 0.0023252300000000, 0.0003442700000000 ] - [ -0.0038918800000000, 0.0001089600000000, 0.0002988500000000 ] - [ -0.0008522600000000, -0.0042307700000000, 0.0000116400000000 ] - [ 0.0006870000000000, -0.0025256000000000, 0.0000405300000000 ] - [ 0.0017780400000000, -0.0017398000000000, -0.0003248400000000 ] - [ 0.0000265200000000, -0.0027295800000000, 0.0003367800000000 ] - [ -0.0044939700000000, 0.0005914400000000, -0.0003498400000000 ] - [ -0.0049255700000000, 0.0534365800000000, 0.0001204100000000 ] - [ 0.0012906600000000, -0.0052382600000000, -0.0004312700000000 ] - [ -0.0006117700000000, -0.0027617200000000, 0.0000396300000000 ] - [ -0.0114621100000000, 0.0028915900000000, -0.0029254400000000 ] - [ -0.0006659400000000, -0.0028301000000000, -0.0000728800000000 ] - [ -0.0010777000000000, -0.0019127700000000, -0.0000344300000000 ]- atom: 27 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0029211000000000, 0.0140603200000000, 0.0011085400000000 ] - [ -0.0001014600000000, -0.0029762000000000, -0.0001130600000000 ] - [ 0.0017415100000000, -0.0035505400000000, -0.0003260600000000 ] - [ -0.0003931100000000, -0.0023407900000000, -0.0001446800000000 ] - [ -0.0114844200000000, 0.0097803600000000, 0.0005686800000000 ] - [ 0.0000379200000000, -0.0028028700000000, 0.0000953600000000 ] - [ -0.0012375600000000, -0.0018189900000000, -0.0001180500000000 ] - [ 0.0060467800000000, -0.0096872000000000, -0.0009139300000000 ] - [ -0.0019014800000000, 0.0005330500000000, -0.0012354300000000 ] - [ -0.0037998700000000, 0.0018329800000000, 0.0019341600000000 ] - [ -0.0021164900000000, 0.0004857300000000, 0.0012724200000000 ] - [ 0.0004189900000000, -0.0022131100000000, -0.0005360800000000 ] - [ -0.0034962900000000, 0.0019323200000000, -0.0019003500000000 ] - [ 0.0003771400000000, -0.0022128300000000, 0.0005770000000000 ] - [ 0.0002206700000000, -0.0022252100000000, 0.0004538100000000 ] - [ 0.0002895900000000, -0.0022139500000000, -0.0004511300000000 ] - [ 0.0040609700000000, 0.0066879500000000, 0.0203988600000000 ] - [ -0.0000168500000000, -0.0045348000000000, 0.0000689400000000 ] - [ -0.0006532600000000, -0.0036158500000000, 0.0001997400000000 ] - [ -0.0068199200000000, -0.0072558200000000, -0.0017231000000000 ] - [ 0.0006399300000000, -0.0024659200000000, -0.0001152600000000 ] - [ -0.0004425700000000, -0.0024812200000000, -0.0000895300000000 ] - [ 0.0001327200000000, 0.0064200900000000, 0.0005601100000000 ] - [ -0.0013929300000000, -0.0039319500000000, 0.0001540700000000 ] - [ -0.0004470200000000, 0.0005147600000000, 0.0015732500000000 ] - [ 0.0002411600000000, -0.0065507000000000, -0.0009985600000000 ] - [ 0.0033126100000000, 0.2614411800000000, -0.0091568700000000 ] - [ -0.0004308700000000, -0.0038552300000000, -0.0003011000000000 ] - [ -0.0059703200000000, -0.0064543800000000, 0.0015387100000000 ] - [ 0.0025302100000000, 0.0013716700000000, 0.0017555800000000 ] - [ -0.0004930800000000, -0.0028421700000000, 0.0000230200000000 ] - [ 0.0070270200000000, -0.0001326100000000, -0.0001140800000000 ] - [ 0.0019437400000000, 0.0049186200000000, -0.0005797000000000 ] - [ 0.0069667700000000, 0.0009059600000000, 0.0003352900000000 ] - [ 0.0001897900000000, -0.0033579700000000, -0.0002190800000000 ] - [ -0.0035849100000000, -0.0048916300000000, 0.0011515700000000 ] - [ -0.0007988400000000, -0.0030511500000000, -0.0000943200000000 ] - [ 0.0003544600000000, -0.0019900600000000, -0.0004097500000000 ] - [ 0.0003888400000000, -0.0019491400000000, 0.0001071200000000 ] - [ 0.0009300800000000, -0.0025210000000000, 0.0002620300000000 ] - [ 0.0112949900000000, 0.0024890200000000, -0.0011682400000000 ] - [ 0.0088242400000000, 0.0156144700000000, -0.0193631500000000 ] - [ 0.0002559200000000, -0.0035696500000000, -0.0002263000000000 ] - [ 0.0105218100000000, -0.0276204200000000, 0.0042776500000000 ] - [ 0.0000479200000000, -0.0035998800000000, 0.0001480800000000 ] - [ -0.0002802000000000, -0.0032533300000000, 0.0000359000000000 ] - [ 0.0011940300000000, -0.0010276300000000, 0.0000441000000000 ] - [ -0.0238713700000000, -0.0194638600000000, -0.0091861500000000 ] - [ 0.0010588100000000, 0.0041310400000000, 0.0001322500000000 ] - [ 0.0031574500000000, 0.0082591800000000, 0.0001991300000000 ] - [ -0.0298208600000000, -0.0860396600000000, 0.0220094800000000 ] - [ 0.0000432100000000, 0.0023406700000000, 0.0001953300000000 ] - [ 0.0007693400000000, 0.0018348600000000, -0.0000136100000000 ] - [ 0.0006041300000000, 0.0028813100000000, -0.0000611700000000 ] - [ -0.0010420300000000, 0.0033455800000000, 0.0002503200000000 ] - [ 0.0246471300000000, -0.0801526200000000, -0.0163172700000000 ] - [ -0.0021412000000000, 0.0002137400000000, -0.0009726900000000 ] - [ 0.0009116700000000, 0.0006112900000000, 0.0001549900000000 ] - [ -0.0008928500000000, -0.0051931100000000, 0.0016129700000000 ] - [ 0.0021005900000000, 0.0008809600000000, 0.0000628700000000 ] - [ -0.0005971500000000, 0.0027441400000000, -0.0005751700000000 ] - [ 0.0008302500000000, 0.0033540000000000, 0.0000588300000000 ] - [ -0.0007155900000000, 0.0029042900000000, 0.0003790800000000 ] - [ 0.0008154400000000, 0.0027844800000000, 0.0000492100000000 ] - [ -0.0009498000000000, 0.0024760300000000, 0.0000092100000000 ] - [ -0.0009174800000000, 0.0015502300000000, 0.0001718700000000 ] - [ -0.0006293400000000, 0.0020620200000000, 0.0000087000000000 ] - [ -0.0009419800000000, 0.0019174400000000, -0.0000560700000000 ] - [ -0.0001444200000000, 0.0026736300000000, 0.0003322000000000 ] - [ 0.0011991200000000, 0.0017292000000000, -0.0003122600000000 ] - [ -0.0022266600000000, -0.0038671400000000, -0.0004471600000000 ] - [ 0.0008810900000000, -0.0028267000000000, 0.0002372500000000 ] - [ 0.0035266800000000, 0.0081197900000000, 0.0004177700000000 ] - [ 0.0022019200000000, -0.0051746900000000, -0.0000198500000000 ] - [ -0.0020993600000000, -0.0050289900000000, -0.0009549900000000 ] - [ -0.0001844700000000, 0.0025289500000000, -0.0001916200000000 ] - [ 0.0008621600000000, 0.0024263900000000, -0.0001207700000000 ] - [ 0.0000393700000000, 0.0023162400000000, 0.0001514100000000 ] - [ -0.0086994800000000, 0.0056485500000000, -0.0003579500000000 ] - [ 0.0022483600000000, 0.0002083000000000, -0.0003095200000000 ] - [ -0.0020995600000000, 0.0001825400000000, 0.0001589600000000 ] - [ 0.0037925100000000, -0.0314072200000000, 0.0007725200000000 ] - [ -0.0032437700000000, -0.0044109400000000, -0.0006988400000000 ] - [ 0.0013345000000000, 0.0041505400000000, 0.0002952400000000 ] - [ -0.0127722700000000, -0.0019297100000000, -0.0020815700000000 ] - [ -0.0003151000000000, 0.0007156400000000, 0.0002532600000000 ] - [ -0.0006131200000000, 0.0021054000000000, 0.0004470200000000 ] - [ 0.0038605000000000, 0.0041125600000000, -0.0016146600000000 ] - [ -0.0002080800000000, 0.0019017500000000, 0.0001165700000000 ] - [ -0.0093507000000000, -0.0028258400000000, 0.0050575100000000 ] - [ 0.0007888100000000, 0.0040770700000000, -0.0000741300000000 ] - [ -0.0028464100000000, -0.0023168800000000, -0.0002149400000000 ] - [ 0.0036879400000000, -0.0000497900000000, -0.0001315700000000 ] - [ 0.0013553300000000, 0.0040014600000000, -0.0002621200000000 ] - [ -0.0006206200000000, 0.0027763800000000, 0.0000326500000000 ] - [ -0.0012756200000000, 0.0019616700000000, 0.0000731000000000 ] - [ -0.0006005600000000, 0.0027476700000000, -0.0002108600000000 ] - [ 0.0047190600000000, 0.0001130600000000, 0.0005170400000000 ] - [ 0.0049095800000000, -0.0532651300000000, -0.0005801600000000 ] - [ -0.0007309600000000, 0.0050973700000000, 0.0001873000000000 ] - [ 0.0005729600000000, 0.0030146000000000, 0.0000310700000000 ] - [ 0.0112361300000000, -0.0036122600000000, 0.0030852700000000 ] - [ 0.0007816900000000, 0.0026588800000000, 0.0000232900000000 ] - [ 0.0005656100000000, 0.0020113600000000, -0.0000647500000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000571600000000, -0.0006142300000000, -0.0039099300000000 ] - [ -0.0000229300000000, -0.0000534300000000, -0.0000032600000000 ] - [ 0.0003628100000000, -0.0002598900000000, 0.0003201400000000 ] - [ 0.0000670800000000, -0.0001568200000000, -0.0000941800000000 ] - [ -0.0063326700000000, -0.0030707000000000, 0.0199361800000000 ] - [ 0.0000209700000000, 0.0001213900000000, -0.0000136700000000 ] - [ -0.0004092900000000, 0.0000400800000000, -0.0001956500000000 ] - [ 0.0015745100000000, -0.0001476600000000, -0.0017448300000000 ] - [ 0.0001517200000000, -0.0002701000000000, -0.0002674600000000 ] - [ -0.0008214500000000, -0.0002368400000000, 0.0004475700000000 ] - [ 0.0002249200000000, -0.0001174900000000, 0.0003029600000000 ] - [ 0.0000803700000000, 0.0001390200000000, -0.0001280400000000 ] - [ -0.0003099000000000, -0.0000575700000000, -0.0004328200000000 ] - [ 0.0000391900000000, 0.0001180200000000, 0.0001556700000000 ] - [ 0.0001779900000000, 0.0000009600000000, 0.0001782800000000 ] - [ 0.0002476400000000, -0.0000085700000000, -0.0001616500000000 ] - [ -0.0039110900000000, 0.0206875000000000, 0.0475758800000000 ] - [ 0.0000578000000000, 0.0000721000000000, 0.0004689800000000 ] - [ 0.0001626500000000, 0.0000945100000000, -0.0001064900000000 ] - [ -0.0008939400000000, -0.0010235800000000, 0.0035945300000000 ] - [ 0.0002476600000000, 0.0000989700000000, -0.0000535200000000 ] - [ -0.0000652500000000, 0.0003913400000000, -0.0000071400000000 ] - [ 0.0001023900000000, 0.0011518400000000, -0.0004151400000000 ] - [ -0.0002298100000000, -0.0000286900000000, 0.0005020300000000 ] - [ -0.0005443700000000, 0.0006248700000000, -0.0000759200000000 ] - [ 0.0007115800000000, -0.0012485600000000, -0.0014597300000000 ] - [ -0.0109198300000000, 0.0117121000000000, -0.2683611400000000 ] - [ -0.0002232900000000, -0.0003015000000000, -0.0003876700000000 ] - [ 0.0008293100000000, 0.0009258300000000, 0.0039103700000000 ] - [ 0.0014648000000000, -0.0020805700000000, 0.0053175800000000 ] - [ 0.0001717400000000, 0.0001356400000000, -0.0000521900000000 ] - [ -0.0026582100000000, -0.0010059600000000, -0.0001162300000000 ] - [ 0.0005234500000000, -0.0004420500000000, 0.0001491400000000 ] - [ 0.0026227400000000, -0.0010968400000000, -0.0006144600000000 ] - [ 0.0002360400000000, 0.0001002600000000, -0.0001318900000000 ] - [ 0.0010075700000000, 0.0005326400000000, -0.0011288100000000 ] - [ -0.0002849600000000, -0.0000171000000000, -0.0000427600000000 ] - [ -0.0000715500000000, -0.0005442700000000, 0.0004752800000000 ] - [ -0.0002749200000000, 0.0001070800000000, -0.0001005900000000 ] - [ 0.0000174400000000, -0.0000593100000000, 0.0000452100000000 ] - [ -0.0050013000000000, -0.0008560200000000, -0.0002391500000000 ] - [ 0.0069961500000000, -0.0193663600000000, 0.0357578600000000 ] - [ 0.0001436100000000, 0.0000057400000000, -0.0000875400000000 ] - [ 0.0013530100000000, 0.0080850700000000, -0.0118238000000000 ] - [ -0.0000414400000000, 0.0000148200000000, 0.0000089800000000 ] - [ -0.0001107600000000, -0.0002504400000000, -0.0000384400000000 ] - [ -0.0003310300000000, 0.0005994100000000, 0.0002510800000000 ] - [ -0.0059128700000000, -0.0024446000000000, -0.0131147800000000 ] - [ -0.0007033800000000, -0.0007213600000000, -0.0001603600000000 ] - [ 0.0015010900000000, 0.0050788900000000, 0.0005621500000000 ] - [ -0.0121397400000000, -0.0295425400000000, 0.0394291900000000 ] - [ 0.0001875300000000, 0.0002576300000000, 0.0002438500000000 ] - [ 0.0002463300000000, -0.0000625400000000, -0.0000601800000000 ] - [ -0.0000452400000000, 0.0000422300000000, -0.0000332400000000 ] - [ -0.0003812700000000, 0.0001506700000000, 0.0002815300000000 ] - [ -0.0150544400000000, 0.0216413300000000, 0.0373745100000000 ] - [ 0.0000602800000000, 0.0011074000000000, 0.0007421800000000 ] - [ 0.0001699600000000, 0.0000782500000000, -0.0000357700000000 ] - [ 0.0007989700000000, -0.0000376200000000, -0.0012697800000000 ] - [ -0.0001538800000000, 0.0000616700000000, 0.0001758800000000 ] - [ 0.0000276500000000, -0.0000416100000000, -0.0000869400000000 ] - [ 0.0002095300000000, 0.0001553100000000, -0.0000149500000000 ] - [ -0.0001240100000000, 0.0001130600000000, -0.0001073700000000 ] - [ -0.0000164500000000, -0.0001669500000000, 0.0000419000000000 ] - [ -0.0002462100000000, 0.0002751800000000, 0.0000746100000000 ] - [ -0.0000499600000000, -0.0002531100000000, 0.0003493200000000 ] - [ -0.0002198400000000, -0.0001895100000000, -0.0000906400000000 ] - [ -0.0001649300000000, -0.0005218400000000, 0.0000796200000000 ] - [ 0.0002648200000000, -0.0000679900000000, 0.0000602200000000 ] - [ 0.0003226700000000, -0.0003864700000000, -0.0001691200000000 ] - [ 0.0013361700000000, 0.0003549700000000, -0.0007740400000000 ] - [ -0.0004055500000000, 0.0002282400000000, 0.0000517400000000 ] - [ -0.0011439000000000, -0.0036029900000000, 0.0005234400000000 ] - [ -0.0001863500000000, -0.0005459100000000, 0.0002294800000000 ] - [ -0.0018616400000000, 0.0013861100000000, 0.0030418900000000 ] - [ 0.0003059500000000, 0.0000684200000000, -0.0000792700000000 ] - [ -0.0002811300000000, 0.0003285800000000, -0.0002449300000000 ] - [ 0.0001916200000000, -0.0001606700000000, 0.0000877000000000 ] - [ 0.0052027500000000, -0.0033005000000000, 0.0012851600000000 ] - [ 0.0008775600000000, 0.0003073700000000, 0.0000053800000000 ] - [ 0.0005854300000000, -0.0005393700000000, 0.0003103000000000 ] - [ 0.0153773600000000, -0.0011719100000000, 0.0264171700000000 ] - [ -0.0002745100000000, -0.0000354800000000, 0.0000365100000000 ] - [ 0.0003933500000000, 0.0009122600000000, 0.0002339500000000 ] - [ 0.0054717700000000, -0.0063043100000000, -0.0050136100000000 ] - [ -0.0000357600000000, -0.0003603400000000, 0.0001884900000000 ] - [ 0.0002346300000000, 0.0000084600000000, 0.0003015300000000 ] - [ -0.0022335000000000, -0.0071825800000000, 0.0018774300000000 ] - [ 0.0001266300000000, -0.0003648300000000, 0.0000779200000000 ] - [ -0.0069713900000000, 0.0048319400000000, -0.0032687800000000 ] - [ -0.0000453200000000, 0.0007507700000000, 0.0000502000000000 ] - [ 0.0001055300000000, 0.0007528100000000, -0.0009539900000000 ] - [ -0.0000708800000000, -0.0001696000000000, -0.0003171700000000 ] - [ -0.0000209600000000, -0.0005594000000000, -0.0000783300000000 ] - [ -0.0000038100000000, 0.0001711300000000, -0.0000369600000000 ] - [ 0.0008570200000000, 0.0001088600000000, -0.0004114000000000 ] - [ -0.0002757300000000, -0.0000616600000000, 0.0000645300000000 ] - [ -0.0000267400000000, 0.0012815500000000, -0.0009035100000000 ] - [ 0.0258744100000000, -0.0008878100000000, 0.0827801000000000 ] - [ -0.0004974600000000, 0.0070732200000000, 0.0001065500000000 ] - [ -0.0001743800000000, 0.0000142100000000, 0.0000341800000000 ] - [ 0.0028255000000000, -0.0002497700000000, 0.0029316500000000 ] - [ 0.0000954300000000, -0.0001520800000000, -0.0000104000000000 ] - [ -0.0001230300000000, 0.0001001800000000, -0.0000184300000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000975100000000, 0.0004885300000000, 0.0038562700000000 ] - [ 0.0000230600000000, -0.0000761400000000, -0.0000166400000000 ] - [ -0.0002006800000000, 0.0004061200000000, -0.0005682700000000 ] - [ 0.0000900000000000, 0.0000114700000000, -0.0001569700000000 ] - [ 0.0060086500000000, 0.0030225500000000, -0.0199300100000000 ] - [ -0.0000216000000000, 0.0000097700000000, -0.0000064200000000 ] - [ 0.0002468700000000, 0.0001062400000000, -0.0000565200000000 ] - [ -0.0017100900000000, -0.0000343700000000, 0.0014817200000000 ] - [ 0.0002664400000000, 0.0003683900000000, 0.0000940000000000 ] - [ 0.0003953000000000, 0.0001398600000000, -0.0006141700000000 ] - [ 0.0000667100000000, 0.0002135200000000, -0.0000910300000000 ] - [ -0.0003697600000000, -0.0000459600000000, 0.0003303600000000 ] - [ 0.0000149000000000, -0.0000352100000000, 0.0006381800000000 ] - [ -0.0004566500000000, -0.0000217100000000, -0.0003194500000000 ] - [ 0.0001154500000000, -0.0000913600000000, 0.0000279900000000 ] - [ 0.0001741000000000, -0.0000854300000000, -0.0000061400000000 ] - [ 0.0042560500000000, -0.0207653000000000, -0.0473969100000000 ] - [ -0.0001994800000000, 0.0003735100000000, -0.0003911800000000 ] - [ 0.0000438600000000, -0.0000435300000000, 0.0002091600000000 ] - [ 0.0014733900000000, 0.0007573800000000, -0.0037677000000000 ] - [ 0.0003498800000000, 0.0001590600000000, -0.0001504200000000 ] - [ 0.0002697000000000, 0.0001612500000000, -0.0000427600000000 ] - [ -0.0003436500000000, -0.0011398300000000, 0.0003456100000000 ] - [ 0.0000210200000000, -0.0000224400000000, -0.0003932800000000 ] - [ 0.0006846700000000, -0.0001786700000000, 0.0001360900000000 ] - [ -0.0005602200000000, 0.0007898600000000, 0.0015183100000000 ] - [ 0.0067837300000000, -0.0118691700000000, 0.2606756600000000 ] - [ -0.0001688100000000, 0.0000937100000000, 0.0000069000000000 ] - [ -0.0012040500000000, -0.0011277200000000, -0.0035674200000000 ] - [ -0.0018677400000000, 0.0022859400000000, -0.0056836700000000 ] - [ 0.0004038900000000, -0.0000225800000000, -0.0000601200000000 ] - [ 0.0028579100000000, 0.0009516600000000, 0.0002226700000000 ] - [ -0.0002743200000000, 0.0004213900000000, -0.0002292700000000 ] - [ -0.0022120800000000, 0.0008848200000000, 0.0002258500000000 ] - [ 0.0001564100000000, 0.0001055600000000, -0.0002462900000000 ] - [ -0.0006204200000000, -0.0003164900000000, 0.0014224000000000 ] - [ -0.0002923000000000, -0.0000935900000000, -0.0000692600000000 ] - [ -0.0000700400000000, 0.0000979500000000, -0.0004004800000000 ] - [ -0.0003231800000000, -0.0003615600000000, -0.0001041900000000 ] - [ 0.0003692800000000, -0.0001504900000000, 0.0002575200000000 ] - [ 0.0046997600000000, 0.0008994000000000, 0.0003537600000000 ] - [ -0.0073285000000000, 0.0192679400000000, -0.0355738700000000 ] - [ 0.0000938100000000, 0.0000123700000000, 0.0000068500000000 ] - [ -0.0015770200000000, -0.0074559800000000, 0.0116633400000000 ] - [ -0.0001942500000000, -0.0000320600000000, -0.0000887500000000 ] - [ -0.0000959400000000, -0.0002995200000000, -0.0000120400000000 ] - [ -0.0000598200000000, -0.0003814800000000, 0.0000560100000000 ] - [ 0.0052463400000000, 0.0026519700000000, 0.0127757200000000 ] - [ 0.0001992400000000, 0.0009447100000000, -0.0000893600000000 ] - [ -0.0017707700000000, -0.0048186000000000, -0.0000767200000000 ] - [ 0.0121307200000000, 0.0307951400000000, -0.0396470800000000 ] - [ 0.0000995100000000, -0.0000567300000000, 0.0002343400000000 ] - [ 0.0002655200000000, -0.0000402300000000, -0.0000389000000000 ] - [ -0.0000697900000000, 0.0001263500000000, -0.0000167900000000 ] - [ 0.0003035200000000, -0.0003978900000000, -0.0002059600000000 ] - [ 0.0155176900000000, -0.0228175600000000, -0.0375650600000000 ] - [ 0.0003571700000000, -0.0011576000000000, -0.0007380000000000 ] - [ -0.0000956100000000, -0.0003289800000000, 0.0001093800000000 ] - [ -0.0012212500000000, 0.0001211300000000, 0.0012449900000000 ] - [ 0.0003498100000000, -0.0001181200000000, -0.0000060700000000 ] - [ 0.0000881700000000, -0.0000312600000000, -0.0001137800000000 ] - [ 0.0002075600000000, -0.0001016700000000, 0.0000142400000000 ] - [ 0.0000069200000000, -0.0000396600000000, -0.0000936600000000 ] - [ 0.0000572700000000, -0.0000889500000000, 0.0000289400000000 ] - [ 0.0000417800000000, 0.0004408000000000, 0.0000916000000000 ] - [ -0.0003181700000000, 0.0001719400000000, 0.0002845500000000 ] - [ -0.0003798700000000, 0.0000465100000000, -0.0000748000000000 ] - [ -0.0000296800000000, 0.0004595200000000, 0.0000885300000000 ] - [ 0.0003070000000000, 0.0000491100000000, 0.0000655000000000 ] - [ 0.0004260700000000, -0.0003418000000000, -0.0002048800000000 ] - [ -0.0014746800000000, -0.0004226400000000, 0.0005533600000000 ] - [ 0.0004364000000000, 0.0000191100000000, 0.0000198200000000 ] - [ 0.0015077400000000, 0.0035030500000000, 0.0001103800000000 ] - [ 0.0001459300000000, 0.0002916300000000, -0.0001607500000000 ] - [ 0.0013012400000000, -0.0013871600000000, -0.0028930600000000 ] - [ 0.0002951100000000, 0.0000724000000000, -0.0000858900000000 ] - [ -0.0004659500000000, 0.0003984500000000, -0.0001297100000000 ] - [ 0.0000024800000000, 0.0002135200000000, 0.0000807600000000 ] - [ -0.0044262800000000, 0.0040044300000000, -0.0016400800000000 ] - [ -0.0009451300000000, -0.0000558900000000, 0.0000700400000000 ] - [ -0.0010694900000000, 0.0003012200000000, -0.0005536800000000 ] - [ -0.0148679700000000, 0.0009926000000000, -0.0262172000000000 ] - [ 0.0003905800000000, 0.0001108000000000, -0.0002371300000000 ] - [ -0.0001018200000000, -0.0011047400000000, 0.0002444800000000 ] - [ -0.0061371600000000, 0.0054959100000000, 0.0046045200000000 ] - [ -0.0002502300000000, 0.0001589300000000, 0.0002896900000000 ] - [ 0.0001362500000000, 0.0000687000000000, 0.0003314500000000 ] - [ 0.0018331000000000, 0.0071945900000000, -0.0012807100000000 ] - [ 0.0000766400000000, -0.0003530200000000, 0.0000883100000000 ] - [ 0.0074458900000000, -0.0046992600000000, 0.0031207500000000 ] - [ -0.0003695800000000, -0.0007939600000000, -0.0000503900000000 ] - [ 0.0004592200000000, -0.0007323400000000, 0.0010720600000000 ] - [ -0.0001240500000000, 0.0002221700000000, 0.0004817500000000 ] - [ 0.0005199000000000, 0.0003255400000000, -0.0001713000000000 ] - [ 0.0000760400000000, 0.0000791500000000, 0.0001094800000000 ] - [ -0.0003562500000000, 0.0001206900000000, 0.0001605800000000 ] - [ -0.0002962900000000, 0.0000793200000000, 0.0000613700000000 ] - [ 0.0002350200000000, -0.0005533100000000, 0.0010634300000000 ] - [ -0.0231459000000000, 0.0009871100000000, -0.0755812300000000 ] - [ 0.0010840100000000, -0.0071364100000000, -0.0002879100000000 ] - [ 0.0001304900000000, 0.0002389000000000, 0.0000368000000000 ] - [ -0.0030139500000000, -0.0004689900000000, -0.0027429600000000 ] - [ 0.0000203200000000, -0.0000188700000000, -0.0000390500000000 ] - [ -0.0003874500000000, 0.0000025300000000, -0.0000800900000000 ]- atom: 28 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002037000000000, -0.0000449300000000, -0.0000067400000000 ] - [ -0.0113356700000000, 0.0111296100000000, 0.0027761300000000 ] - [ -0.0006277100000000, -0.0000790400000000, -0.0001745300000000 ] - [ 0.0016798800000000, 0.0004788700000000, -0.0001062500000000 ] - [ 0.0001677900000000, 0.0000393500000000, -0.0000121800000000 ] - [ 0.0086549500000000, 0.0002835700000000, 0.0003496400000000 ] - [ 0.0000586200000000, -0.0109270400000000, -0.0001353800000000 ] - [ 0.0011411100000000, 0.0010947400000000, -0.0002358400000000 ] - [ 0.0005782700000000, 0.0000562300000000, -0.0002041200000000 ] - [ -0.0008606800000000, -0.0003562200000000, -0.0003706700000000 ] - [ 0.0005170700000000, 0.0000565700000000, 0.0002238600000000 ] - [ 0.0056335900000000, 0.0036135300000000, 0.0015251800000000 ] - [ -0.0008200700000000, -0.0003393000000000, 0.0003983000000000 ] - [ 0.0060285200000000, 0.0040166200000000, -0.0015724000000000 ] - [ -0.0046176000000000, -0.0017480400000000, 0.0022394100000000 ] - [ -0.0041419300000000, -0.0013816200000000, -0.0020255500000000 ] - [ 0.0005206100000000, 0.0001687100000000, -0.0000688900000000 ] - [ -0.0004783000000000, -0.0018283800000000, -0.0000091000000000 ] - [ 0.0059233600000000, -0.0038986800000000, -0.0007820000000000 ] - [ 0.0005405000000000, -0.0007646500000000, -0.0001997300000000 ] - [ -0.0010495300000000, 0.0033949400000000, -0.0001794200000000 ] - [ 0.0039157000000000, -0.0080495700000000, -0.0042574300000000 ] - [ -0.0000703800000000, -0.0001469300000000, -0.0000428900000000 ] - [ -0.0268752100000000, 0.0057793900000000, 0.0008346700000000 ] - [ 0.0003711700000000, -0.0016518600000000, 0.0005094900000000 ] - [ -0.0007126900000000, 0.0124816100000000, 0.0035443100000000 ] - [ 0.0005979200000000, 0.0001785300000000, -0.0000827900000000 ] - [ -0.3314741600000000, -0.0198771400000000, 0.0009742200000000 ] - [ -0.0015188300000000, 0.0022121600000000, -0.0001842100000000 ] - [ 0.0001879600000000, -0.0002283900000000, -0.0001085300000000 ] - [ 0.0453511700000000, 0.0029272200000000, 0.0015988500000000 ] - [ -0.0003907600000000, 0.0003443200000000, 0.0001218700000000 ] - [ 0.0002094500000000, -0.0000851200000000, -0.0000207200000000 ] - [ -0.0000425600000000, 0.0000790100000000, -0.0001441700000000 ] - [ 0.0133003800000000, -0.0042063400000000, -0.0005200100000000 ] - [ 0.0007583600000000, -0.0009700300000000, 0.0000020800000000 ] - [ 0.0097041500000000, 0.0067260800000000, -0.0024575700000000 ] - [ 0.0002136200000000, 0.0009663800000000, 0.0002673100000000 ] - [ 0.0093358400000000, -0.0050589700000000, 0.0025888800000000 ] - [ -0.0019304000000000, 0.0013015800000000, 0.0004610100000000 ] - [ 0.0009195100000000, -0.0004270000000000, 0.0001094600000000 ] - [ -0.0006069600000000, 0.0000620700000000, -0.0000947400000000 ] - [ 0.0110216200000000, -0.0342150000000000, -0.0094268200000000 ] - [ -0.0005151500000000, 0.0001267300000000, -0.0000494900000000 ] - [ 0.0207575900000000, 0.0072535200000000, 0.0142050700000000 ] - [ 0.0045683900000000, 0.0074231600000000, 0.0009135600000000 ] - [ 0.0052100400000000, -0.0019596100000000, 0.0004379200000000 ] - [ -0.0010336000000000, 0.0014013700000000, -0.0001535300000000 ] - [ 0.0024494300000000, -0.0039545600000000, 0.0009964600000000 ] - [ 0.0001640500000000, -0.0011228200000000, -0.0004079800000000 ] - [ -0.0003748200000000, -0.0003899900000000, -0.0000774500000000 ] - [ 0.0005539700000000, -0.0014703500000000, 0.0005677000000000 ] - [ -0.0112386600000000, -0.0018117500000000, 0.0009310700000000 ] - [ -0.0114310100000000, -0.0078143500000000, 0.0023344600000000 ] - [ -0.0019624400000000, -0.0048278500000000, -0.0008404200000000 ] - [ 0.0000356000000000, -0.0001172100000000, -0.0000293900000000 ] - [ 0.0004480100000000, -0.0004594300000000, 0.0000029200000000 ] - [ -0.0004119900000000, -0.0005005100000000, -0.0000229500000000 ] - [ -0.0009000500000000, 0.0008088100000000, 0.0000503700000000 ] - [ -0.0005992400000000, 0.0001779100000000, 0.0001613800000000 ] - [ -0.0107716600000000, 0.0076917700000000, -0.0003954100000000 ] - [ -0.0022245500000000, 0.0028391900000000, -0.0005885600000000 ] - [ 0.0740851600000000, -0.0325646700000000, 0.0280718900000000 ] - [ 0.0089722200000000, 0.0091292500000000, 0.0038413900000000 ] - [ -0.0081140000000000, -0.0000221300000000, -0.0009809700000000 ] - [ -0.0040904200000000, 0.0041604000000000, 0.0009582700000000 ] - [ -0.0133725700000000, 0.0089501600000000, 0.0008672900000000 ] - [ -0.0046635800000000, -0.0023599700000000, 0.0000961600000000 ] - [ -0.0079030800000000, 0.0071706400000000, 0.0003116400000000 ] - [ -0.0061049300000000, -0.0019240800000000, -0.0000452400000000 ] - [ -0.0001179800000000, 0.0000910000000000, -0.0001271800000000 ] - [ -0.0001803000000000, 0.0002062800000000, 0.0000262500000000 ] - [ 0.0002879100000000, 0.0004121400000000, 0.0003458200000000 ] - [ 0.0001542800000000, -0.0000003300000000, 0.0000272200000000 ] - [ -0.0004926000000000, 0.0002136900000000, 0.0000691300000000 ] - [ -0.0015994700000000, -0.0037075600000000, -0.0001341500000000 ] - [ 0.0090975300000000, 0.0083711800000000, -0.0026744100000000 ] - [ 0.0028487900000000, 0.0010451700000000, 0.0000615500000000 ] - [ 0.0008492700000000, 0.0003057000000000, -0.0001732800000000 ] - [ 0.0000881700000000, 0.0014837200000000, -0.0000815500000000 ] - [ -0.0015677400000000, 0.0008508900000000, -0.0005873600000000 ] - [ -0.0006523100000000, -0.0000061800000000, -0.0000696000000000 ] - [ 0.0000701200000000, 0.0000519200000000, -0.0000877100000000 ] - [ 0.0000803900000000, 0.0008377100000000, 0.0001732200000000 ] - [ -0.0011043800000000, -0.0005348700000000, -0.0000770000000000 ] - [ -0.0025670300000000, 0.0028047200000000, 0.0004746000000000 ] - [ 0.0007516000000000, -0.0025725000000000, 0.0001385200000000 ] - [ -0.0000962100000000, -0.0008765600000000, 0.0004551600000000 ] - [ 0.0036201600000000, -0.0039685400000000, 0.0001941200000000 ] - [ 0.0005716100000000, -0.0000083600000000, -0.0000592200000000 ] - [ 0.0334775300000000, -0.0004084400000000, -0.0012332800000000 ] - [ 0.0003638000000000, -0.0001181900000000, 0.0000703700000000 ] - [ 0.0018309200000000, 0.0001053700000000, 0.0002544700000000 ] - [ -0.0004967000000000, 0.0016659100000000, 0.0001279500000000 ] - [ 0.0016628600000000, 0.0015180000000000, 0.0002127600000000 ] - [ 0.0008060700000000, -0.0005824000000000, -0.0003154300000000 ] - [ 0.0488514800000000, -0.0068366600000000, -0.0282328400000000 ] - [ -0.0002736000000000, 0.0004965400000000, 0.0001011600000000 ] - [ -0.0000023300000000, -0.0001145400000000, -0.0000459400000000 ] - [ 0.0004561800000000, 0.0001369400000000, -0.0000883000000000 ] - [ -0.0084539400000000, -0.0069148100000000, -0.0034395900000000 ] - [ 0.0007246800000000, -0.0005054500000000, 0.0000683500000000 ] - [ -0.0098947700000000, -0.0012524200000000, -0.0057987700000000 ] - [ 0.1497993300000000, 0.0508704900000000, -0.0058331600000000 ]- atom: 28 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002025400000000, -0.0000833200000000, -0.0000133100000000 ] - [ 0.0112266200000000, -0.0112656500000000, -0.0027766500000000 ] - [ 0.0007878600000000, 0.0002243100000000, -0.0000773500000000 ] - [ -0.0015217200000000, -0.0006268300000000, -0.0001453600000000 ] - [ -0.0001666600000000, 0.0000849100000000, -0.0000073200000000 ] - [ -0.0086687600000000, -0.0001291600000000, -0.0003723300000000 ] - [ -0.0002243600000000, 0.0109961700000000, -0.0001126600000000 ] - [ -0.0012954900000000, -0.0012564200000000, -0.0000151000000000 ] - [ -0.0001562000000000, 0.0000374900000000, 0.0000379400000000 ] - [ 0.0004318600000000, 0.0002604700000000, 0.0002017000000000 ] - [ -0.0002231500000000, 0.0000340000000000, -0.0000193000000000 ] - [ -0.0059478400000000, -0.0035326400000000, -0.0013106600000000 ] - [ 0.0005191400000000, 0.0002463400000000, -0.0001909900000000 ] - [ -0.0064778200000000, -0.0039357900000000, 0.0013953300000000 ] - [ 0.0049145900000000, 0.0016518900000000, -0.0020398200000000 ] - [ 0.0045710100000000, 0.0012833200000000, 0.0018633800000000 ] - [ -0.0002961500000000, -0.0007210900000000, 0.0000203800000000 ] - [ 0.0003348100000000, 0.0022759500000000, 0.0000838200000000 ] - [ -0.0057222000000000, 0.0039493800000000, 0.0008856100000000 ] - [ 0.0000565600000000, 0.0005078500000000, -0.0000036700000000 ] - [ 0.0016516900000000, -0.0031458100000000, -0.0000224100000000 ] - [ -0.0036398800000000, 0.0086482500000000, 0.0041992100000000 ] - [ -0.0001695400000000, 0.0001617200000000, -0.0000372500000000 ] - [ 0.0264606000000000, -0.0057293400000000, -0.0007208000000000 ] - [ -0.0002326700000000, 0.0020889500000000, -0.0004352400000000 ] - [ 0.0010267700000000, -0.0129389100000000, -0.0034641000000000 ] - [ -0.0000126700000000, -0.0002910500000000, -0.0000298600000000 ] - [ 0.3241439900000000, 0.0114804800000000, 0.0012319300000000 ] - [ 0.0011213700000000, -0.0023882700000000, 0.0004903100000000 ] - [ -0.0005798000000000, 0.0004268400000000, -0.0002699200000000 ] - [ -0.0445119700000000, -0.0025835800000000, -0.0017355100000000 ] - [ 0.0006026000000000, -0.0003979900000000, -0.0000176300000000 ] - [ 0.0000271300000000, 0.0000633700000000, -0.0000589000000000 ] - [ 0.0004351800000000, -0.0002871500000000, -0.0002343900000000 ] - [ -0.0129204400000000, 0.0044243900000000, 0.0001429600000000 ] - [ -0.0003696700000000, 0.0011821700000000, 0.0003002700000000 ] - [ -0.0102898600000000, -0.0068192800000000, 0.0023757600000000 ] - [ -0.0003564000000000, -0.0014177300000000, -0.0001934300000000 ] - [ -0.0099318300000000, 0.0047889600000000, -0.0027898000000000 ] - [ 0.0023234600000000, -0.0015194200000000, -0.0001596600000000 ] - [ -0.0011274500000000, 0.0004687000000000, -0.0000053900000000 ] - [ 0.0000258400000000, 0.0000490100000000, -0.0000165400000000 ] - [ -0.0108232800000000, 0.0344139900000000, 0.0093293600000000 ] - [ 0.0003019200000000, 0.0004253600000000, 0.0000000700000000 ] - [ -0.0209670200000000, -0.0071724300000000, -0.0143336400000000 ] - [ -0.0047861400000000, -0.0079965400000000, -0.0009717900000000 ] - [ -0.0056057000000000, 0.0021613900000000, -0.0001347600000000 ] - [ 0.0004333300000000, -0.0011325800000000, -0.0000545200000000 ] - [ -0.0029599700000000, 0.0041379600000000, -0.0012645800000000 ] - [ -0.0004773000000000, 0.0012820600000000, 0.0008938600000000 ] - [ -0.0002315600000000, 0.0005263400000000, -0.0000865600000000 ] - [ -0.0002663100000000, 0.0016749500000000, -0.0000886100000000 ] - [ 0.0117649600000000, 0.0017082600000000, -0.0010380000000000 ] - [ 0.0113936700000000, 0.0080098800000000, -0.0024127200000000 ] - [ 0.0018827300000000, 0.0046285300000000, 0.0009121000000000 ] - [ -0.0001512600000000, -0.0000507000000000, -0.0000200800000000 ] - [ -0.0000302700000000, 0.0004069800000000, -0.0000024400000000 ] - [ 0.0004789000000000, 0.0002517500000000, 0.0000953800000000 ] - [ 0.0004822300000000, -0.0007470400000000, -0.0000490400000000 ] - [ 0.0008012600000000, -0.0002310500000000, 0.0000074100000000 ] - [ 0.0108695600000000, -0.0077763300000000, 0.0001376100000000 ] - [ 0.0026472000000000, -0.0027852400000000, 0.0005917700000000 ] - [ -0.0770215700000000, 0.0351951800000000, -0.0305209100000000 ] - [ -0.0089417700000000, -0.0094100000000000, -0.0037885500000000 ] - [ 0.0079174200000000, 0.0007313000000000, 0.0011482800000000 ] - [ 0.0037125200000000, -0.0042362800000000, -0.0003235100000000 ] - [ 0.0127348100000000, -0.0091093800000000, -0.0010331600000000 ] - [ 0.0044715300000000, 0.0023155400000000, 0.0000725800000000 ] - [ 0.0084611800000000, -0.0071814000000000, -0.0001815600000000 ] - [ 0.0068631100000000, 0.0012048700000000, -0.0003244700000000 ] - [ 0.0000025500000000, -0.0001587700000000, -0.0000748200000000 ] - [ 0.0002138900000000, 0.0000528300000000, 0.0000438600000000 ] - [ 0.0000831600000000, -0.0004898200000000, 0.0002859300000000 ] - [ -0.0001847800000000, -0.0002562300000000, 0.0000429700000000 ] - [ -0.0000795500000000, -0.0002283100000000, 0.0000575700000000 ] - [ 0.0022021800000000, 0.0038520100000000, -0.0000289900000000 ] - [ -0.0098329000000000, -0.0075988300000000, 0.0022558000000000 ] - [ -0.0026512200000000, -0.0009897800000000, 0.0001072700000000 ] - [ -0.0000997800000000, 0.0004234300000000, -0.0001990700000000 ] - [ -0.0001479200000000, -0.0012262400000000, 0.0001533900000000 ] - [ 0.0010678400000000, -0.0010721200000000, 0.0003384800000000 ] - [ 0.0001377800000000, -0.0000874900000000, -0.0000300500000000 ] - [ 0.0000485400000000, 0.0000218400000000, -0.0001140500000000 ] - [ 0.0002084800000000, -0.0010384300000000, 0.0003059100000000 ] - [ 0.0003469800000000, -0.0001877400000000, -0.0002969500000000 ] - [ 0.0022820000000000, -0.0029993100000000, 0.0000028800000000 ] - [ -0.0003833500000000, 0.0026574900000000, 0.0004926100000000 ] - [ -0.0002807200000000, 0.0009459500000000, 0.0001767200000000 ] - [ -0.0034139800000000, 0.0032540100000000, -0.0000286500000000 ] - [ -0.0000605400000000, 0.0001059200000000, -0.0000405300000000 ] - [ -0.0337692900000000, 0.0009316500000000, 0.0014856300000000 ] - [ 0.0002103200000000, 0.0001393800000000, 0.0000560200000000 ] - [ -0.0020188300000000, -0.0000542000000000, -0.0000842300000000 ] - [ 0.0010005200000000, -0.0018955100000000, -0.0003789800000000 ] - [ -0.0015972000000000, -0.0012666900000000, -0.0001424300000000 ] - [ -0.0003056500000000, 0.0008163900000000, 0.0000654400000000 ] - [ -0.0491916400000000, 0.0069039000000000, 0.0285268500000000 ] - [ 0.0004835600000000, 0.0002176700000000, 0.0000637900000000 ] - [ 0.0001146300000000, 0.0002833400000000, -0.0000040900000000 ] - [ 0.0001440400000000, -0.0002786600000000, -0.0000757300000000 ] - [ 0.0084246000000000, 0.0071821900000000, 0.0035376900000000 ] - [ -0.0009288000000000, -0.0002092200000000, 0.0000970800000000 ] - [ 0.0100071700000000, 0.0010379700000000, 0.0057568500000000 ] - [ -0.1410073600000000, -0.0462994700000000, 0.0051330400000000 ]- atom: 28 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001841800000000, 0.0032296700000000, 0.0001159700000000 ] - [ 0.0112899800000000, 0.0009703500000000, 0.0007840400000000 ] - [ 0.0002540100000000, 0.0034328600000000, -0.0000654700000000 ] - [ -0.0000820500000000, 0.0016650000000000, -0.0002201000000000 ] - [ 0.0001275900000000, 0.0026779300000000, -0.0001081600000000 ] - [ -0.0017619200000000, -0.0040819600000000, 0.0001333200000000 ] - [ -0.0120252000000000, 0.0048481900000000, -0.0011943100000000 ] - [ 0.0026219000000000, 0.0014371500000000, -0.0002519400000000 ] - [ 0.0000167200000000, 0.0018931100000000, -0.0003427300000000 ] - [ -0.0019996700000000, 0.0023492900000000, -0.0004283100000000 ] - [ -0.0000431800000000, 0.0018863800000000, 0.0003412400000000 ] - [ 0.0033929700000000, -0.0057452800000000, -0.0035526600000000 ] - [ -0.0019536400000000, 0.0022607300000000, 0.0004652200000000 ] - [ 0.0037372500000000, -0.0058744300000000, 0.0038012400000000 ] - [ 0.0022669000000000, 0.0046755100000000, -0.0026628700000000 ] - [ 0.0019959000000000, 0.0044251300000000, 0.0026349400000000 ] - [ 0.0025121700000000, 0.0037857900000000, 0.0000709300000000 ] - [ -0.0021308900000000, 0.0037214500000000, -0.0003734200000000 ] - [ -0.0018285400000000, 0.0026013400000000, 0.0005207800000000 ] - [ 0.0004482900000000, 0.0031250100000000, -0.0000023100000000 ] - [ 0.0033947200000000, 0.0022463700000000, -0.0005151400000000 ] - [ -0.0100348900000000, -0.0110110200000000, -0.0033349700000000 ] - [ -0.0009660500000000, 0.0032158000000000, 0.0002185000000000 ] - [ -0.0121440500000000, -0.0072605200000000, 0.0238653600000000 ] - [ -0.0024227600000000, -0.0005508600000000, 0.0005490200000000 ] - [ 0.0237296700000000, 0.0302438200000000, -0.0105508600000000 ] - [ 0.0006841600000000, 0.0036990500000000, -0.0002538100000000 ] - [ -0.0153769600000000, -0.2929573100000000, 0.0043684100000000 ] - [ -0.0014885500000000, 0.0103029000000000, 0.0018091400000000 ] - [ 0.0001309300000000, 0.0020155500000000, -0.0000180200000000 ] - [ 0.0128613000000000, -0.0012371900000000, 0.0021221100000000 ] - [ -0.0001104500000000, 0.0033105000000000, 0.0000523500000000 ] - [ 0.0000335000000000, 0.0029900100000000, -0.0000971000000000 ] - [ 0.0000141800000000, 0.0031215600000000, -0.0002003600000000 ] - [ -0.0041113800000000, 0.0009634900000000, -0.0011913300000000 ] - [ -0.0000374200000000, 0.0032686100000000, 0.0002281500000000 ] - [ -0.0004502500000000, -0.0010750700000000, -0.0010433700000000 ] - [ 0.0000087200000000, 0.0031510100000000, 0.0000324500000000 ] - [ 0.0009544300000000, -0.0047495200000000, 0.0023613000000000 ] - [ 0.0020241500000000, 0.0028724800000000, -0.0002334800000000 ] - [ 0.0008610500000000, 0.0008505800000000, 0.0002373900000000 ] - [ -0.0008468600000000, 0.0035197900000000, -0.0000527500000000 ] - [ -0.0190635100000000, 0.0177198100000000, 0.0041801200000000 ] - [ -0.0001676700000000, 0.0036770800000000, -0.0000034200000000 ] - [ 0.0027248400000000, -0.0218299900000000, -0.0161680800000000 ] - [ 0.0000273700000000, -0.0000270700000000, -0.0000638100000000 ] - [ 0.0008214000000000, -0.0006576200000000, 0.0001210700000000 ] - [ -0.0005216400000000, 0.0068209200000000, -0.0012722100000000 ] - [ -0.0016831800000000, -0.0055664800000000, -0.0021482900000000 ] - [ -0.0025103500000000, -0.0100100500000000, 0.0007709800000000 ] - [ -0.0020482300000000, -0.0042129600000000, -0.0000205300000000 ] - [ -0.0008656900000000, -0.0025982500000000, 0.0000320100000000 ] - [ 0.0018698900000000, 0.0012111100000000, 0.0002597700000000 ] - [ -0.0011568900000000, 0.0003695200000000, -0.0007183400000000 ] - [ -0.0134726200000000, 0.0002870200000000, 0.0026168400000000 ] - [ 0.0005013300000000, -0.0034133100000000, 0.0000068500000000 ] - [ 0.0005296800000000, -0.0028734400000000, 0.0000387700000000 ] - [ -0.0004548900000000, -0.0020682400000000, 0.0000267200000000 ] - [ -0.0001566200000000, -0.0008667300000000, -0.0000970600000000 ] - [ 0.0008600700000000, -0.0020379500000000, 0.0000880200000000 ] - [ 0.0034417800000000, 0.0015342900000000, -0.0008988900000000 ] - [ 0.0012082400000000, -0.0014991700000000, 0.0000474100000000 ] - [ -0.0418026500000000, 0.0649726900000000, -0.0165586800000000 ] - [ 0.0011262700000000, -0.0093242500000000, -0.0004147100000000 ] - [ -0.0026690500000000, 0.0051592100000000, -0.0004797600000000 ] - [ 0.0012489600000000, 0.0026666800000000, 0.0004392600000000 ] - [ -0.0057740300000000, 0.0099759300000000, 0.0021314800000000 ] - [ -0.0010879100000000, 0.0023639500000000, 0.0000182500000000 ] - [ 0.0045594800000000, -0.0027511000000000, 0.0005732000000000 ] - [ 0.0009954600000000, -0.0009359100000000, -0.0001278300000000 ] - [ -0.0002742500000000, -0.0021596200000000, 0.0003668100000000 ] - [ 0.0008268800000000, -0.0024385700000000, 0.0000175900000000 ] - [ -0.0005252100000000, -0.0025540900000000, 0.0003807800000000 ] - [ 0.0018422100000000, -0.0033863900000000, 0.0000098100000000 ] - [ -0.0004852300000000, -0.0014982800000000, -0.0001621200000000 ] - [ -0.0004940000000000, 0.0002791000000000, -0.0000682900000000 ] - [ 0.0164725500000000, 0.0108247800000000, -0.0036083300000000 ] - [ -0.0024082500000000, -0.0038239000000000, 0.0001061200000000 ] - [ 0.0008799800000000, -0.0019822100000000, -0.0003509700000000 ] - [ 0.0023203500000000, -0.0013535000000000, -0.0001368000000000 ] - [ -0.0001539000000000, 0.0001067000000000, 0.0002312600000000 ] - [ -0.0006124200000000, -0.0016142400000000, -0.0000975400000000 ] - [ -0.0002447100000000, -0.0024623800000000, -0.0006029100000000 ] - [ 0.0006425300000000, -0.0032942800000000, 0.0004164000000000 ] - [ -0.0018284300000000, -0.0016042300000000, -0.0001204500000000 ] - [ 0.0005587100000000, 0.0023083300000000, 0.0001282200000000 ] - [ -0.0005335000000000, -0.0010044200000000, 0.0001114400000000 ] - [ -0.0020625800000000, -0.0043196100000000, 0.0001142300000000 ] - [ -0.0023694900000000, -0.0029899900000000, 0.0002604100000000 ] - [ 0.0007877300000000, -0.0019510800000000, -0.0000099700000000 ] - [ 0.0067635400000000, 0.1008644900000000, 0.0237082200000000 ] - [ 0.0000158500000000, -0.0023734500000000, 0.0003199200000000 ] - [ 0.0030207200000000, -0.0038097500000000, -0.0001845400000000 ] - [ 0.0008690800000000, -0.0029968100000000, -0.0003718600000000 ] - [ 0.0011212900000000, -0.0032093100000000, 0.0001431200000000 ] - [ 0.0000559800000000, -0.0029795700000000, 0.0002161900000000 ] - [ -0.0066795700000000, 0.0457700100000000, -0.0108935100000000 ] - [ 0.0001825700000000, -0.0018639900000000, 0.0000902400000000 ] - [ 0.0002096300000000, -0.0032653800000000, -0.0000455300000000 ] - [ -0.0002533700000000, -0.0029421700000000, -0.0002007400000000 ] - [ 0.0026050100000000, 0.0119114500000000, 0.0042382400000000 ] - [ 0.0011939000000000, -0.0036825100000000, 0.0001891300000000 ] - [ -0.0022808600000000, 0.0055504900000000, -0.0028433800000000 ] - [ 0.0509958000000000, 0.0516454100000000, -0.0017486900000000 ]- atom: 28 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001827300000000, -0.0033534200000000, -0.0001360700000000 ] - [ -0.0112158300000000, -0.0012171000000000, -0.0007748800000000 ] - [ -0.0000946800000000, -0.0032751300000000, -0.0001859400000000 ] - [ 0.0002427900000000, -0.0018185600000000, -0.0000322300000000 ] - [ -0.0001268800000000, -0.0025462600000000, 0.0000880900000000 ] - [ 0.0017729600000000, 0.0042067400000000, -0.0001533800000000 ] - [ 0.0119134100000000, -0.0047448200000000, 0.0009336500000000 ] - [ -0.0027808300000000, -0.0015847500000000, 0.0000001900000000 ] - [ 0.0004048900000000, -0.0017977300000000, 0.0001749900000000 ] - [ 0.0015766300000000, -0.0024416600000000, 0.0002626300000000 ] - [ 0.0003367700000000, -0.0017942200000000, -0.0001350300000000 ] - [ -0.0036873200000000, 0.0058599300000000, 0.0037721900000000 ] - [ 0.0016594100000000, -0.0023508000000000, -0.0002614100000000 ] - [ -0.0041595800000000, 0.0059948200000000, -0.0039842800000000 ] - [ -0.0019363000000000, -0.0047283700000000, 0.0028127600000000 ] - [ -0.0015436400000000, -0.0044775400000000, -0.0027472600000000 ] - [ -0.0023028400000000, -0.0043337800000000, -0.0001177400000000 ] - [ 0.0019513400000000, -0.0032760400000000, 0.0004457600000000 ] - [ 0.0020260600000000, -0.0025713500000000, -0.0004232200000000 ] - [ 0.0001483000000000, -0.0033780100000000, -0.0002012000000000 ] - [ -0.0027672000000000, -0.0019983700000000, 0.0003091200000000 ] - [ 0.0102687900000000, 0.0116078000000000, 0.0032940000000000 ] - [ 0.0007307700000000, -0.0031947300000000, -0.0002984900000000 ] - [ 0.0119293500000000, 0.0073307200000000, -0.0237306400000000 ] - [ 0.0025695400000000, 0.0010063500000000, -0.0004754800000000 ] - [ -0.0236912700000000, -0.0309886600000000, 0.0105760000000000 ] - [ -0.0001052600000000, -0.0038058200000000, 0.0001407100000000 ] - [ 0.0159256700000000, 0.2990091500000000, 0.0004516400000000 ] - [ 0.0011057400000000, -0.0105178400000000, -0.0014821200000000 ] - [ -0.0005232100000000, -0.0018057900000000, -0.0003608800000000 ] - [ -0.0121842900000000, 0.0013447800000000, -0.0022449600000000 ] - [ 0.0003212300000000, -0.0033548200000000, 0.0000521400000000 ] - [ 0.0002046700000000, -0.0030040100000000, 0.0000170200000000 ] - [ 0.0003793900000000, -0.0033226700000000, -0.0001784600000000 ] - [ 0.0045184500000000, -0.0007846900000000, 0.0008135300000000 ] - [ 0.0004210200000000, -0.0030570200000000, 0.0000722800000000 ] - [ -0.0001335600000000, 0.0009394300000000, 0.0009375000000000 ] - [ -0.0001486000000000, -0.0035950000000000, 0.0000404000000000 ] - [ -0.0015539800000000, 0.0044979400000000, -0.0025668700000000 ] - [ -0.0016103800000000, -0.0030815500000000, 0.0005322400000000 ] - [ -0.0010704700000000, -0.0007948600000000, -0.0001335300000000 ] - [ 0.0002658900000000, -0.0034028600000000, -0.0000588100000000 ] - [ 0.0190048600000000, -0.0177496200000000, -0.0042826300000000 ] - [ -0.0000448100000000, -0.0031196300000000, -0.0000466900000000 ] - [ -0.0028902000000000, 0.0217947500000000, 0.0161162300000000 ] - [ -0.0002261200000000, -0.0005515500000000, 0.0000116200000000 ] - [ -0.0012120500000000, 0.0008754200000000, 0.0001820500000000 ] - [ -0.0000805700000000, -0.0065580400000000, 0.0010608500000000 ] - [ 0.0011824200000000, 0.0057826700000000, 0.0018163500000000 ] - [ 0.0022063700000000, 0.0101631600000000, -0.0002827700000000 ] - [ 0.0014446000000000, 0.0043454700000000, -0.0001435500000000 ] - [ 0.0011431300000000, 0.0028003800000000, 0.0004427500000000 ] - [ -0.0013548000000000, -0.0012989300000000, -0.0003580000000000 ] - [ 0.0010628900000000, -0.0001590000000000, 0.0006705400000000 ] - [ 0.0134482800000000, -0.0005326400000000, -0.0025535400000000 ] - [ -0.0006150500000000, 0.0032387800000000, -0.0000564400000000 ] - [ -0.0001122300000000, 0.0028155800000000, -0.0000391500000000 ] - [ 0.0005196900000000, 0.0018170400000000, 0.0000467500000000 ] - [ -0.0002611800000000, 0.0009157500000000, 0.0000972700000000 ] - [ -0.0006588200000000, 0.0019838500000000, 0.0000808900000000 ] - [ -0.0033516600000000, -0.0015505300000000, 0.0006514500000000 ] - [ -0.0007779500000000, 0.0015737900000000, -0.0000486500000000 ] - [ 0.0398888100000000, -0.0640949700000000, 0.0150792800000000 ] - [ -0.0010365500000000, 0.0089759200000000, 0.0005000400000000 ] - [ 0.0024655000000000, -0.0044540100000000, 0.0006471500000000 ] - [ -0.0016197900000000, -0.0027536200000000, 0.0001922500000000 ] - [ 0.0051891700000000, -0.0101530600000000, -0.0022965200000000 ] - [ 0.0008883300000000, -0.0024289800000000, 0.0001499600000000 ] - [ -0.0040008100000000, 0.0027963200000000, -0.0004321600000000 ] - [ -0.0002459000000000, 0.0002219200000000, -0.0002435100000000 ] - [ 0.0001559000000000, 0.0020854500000000, -0.0005678200000000 ] - [ -0.0007906600000000, 0.0026931200000000, 0.0000529600000000 ] - [ 0.0008974600000000, 0.0024730000000000, 0.0002517500000000 ] - [ -0.0018777600000000, 0.0031269800000000, 0.0000612300000000 ] - [ -0.0000887100000000, 0.0014765500000000, 0.0002878700000000 ] - [ 0.0010827000000000, -0.0001174100000000, -0.0000957500000000 ] - [ -0.0172564900000000, -0.0101468600000000, 0.0032562000000000 ] - [ 0.0025766800000000, 0.0038523700000000, 0.0000628000000000 ] - [ -0.0001283200000000, 0.0027042800000000, -0.0000222600000000 ] - [ -0.0023910800000000, 0.0016042400000000, 0.0002101300000000 ] - [ -0.0003469200000000, -0.0003432800000000, -0.0004816000000000 ] - [ 0.0000998000000000, 0.0015133100000000, -0.0000019900000000 ] - [ 0.0003606300000000, 0.0025303700000000, 0.0004009500000000 ] - [ -0.0003480800000000, 0.0030888900000000, 0.0000636200000000 ] - [ 0.0010785800000000, 0.0008739400000000, -0.0002528800000000 ] - [ -0.0008477400000000, -0.0025214300000000, 0.0003506200000000 ] - [ 0.0008863300000000, 0.0010945800000000, 0.0005195600000000 ] - [ 0.0016919200000000, 0.0043988300000000, 0.0005196700000000 ] - [ 0.0025462400000000, 0.0022800200000000, -0.0000928900000000 ] - [ -0.0002744300000000, 0.0020470300000000, -0.0000897500000000 ] - [ -0.0076562200000000, -0.1076483300000000, -0.0269888800000000 ] - [ 0.0005560300000000, 0.0023881400000000, -0.0001933700000000 ] - [ -0.0032193300000000, 0.0038645600000000, 0.0003495500000000 ] - [ -0.0003555400000000, 0.0027758000000000, 0.0001216300000000 ] - [ -0.0010407000000000, 0.0034429500000000, -0.0000669300000000 ] - [ 0.0004395100000000, 0.0032047600000000, -0.0004625200000000 ] - [ 0.0062523900000000, -0.0456428500000000, 0.0105334500000000 ] - [ 0.0000251800000000, 0.0025765300000000, 0.0000754500000000 ] - [ -0.0000934300000000, 0.0034303400000000, -0.0000043700000000 ] - [ 0.0008537000000000, 0.0027958000000000, 0.0000358300000000 ] - [ -0.0026835100000000, -0.0116853000000000, -0.0041561200000000 ] - [ -0.0013976100000000, 0.0029633900000000, -0.0000222100000000 ] - [ 0.0024291300000000, -0.0057177800000000, 0.0028121400000000 ] - [ -0.0503108300000000, -0.0515576000000000, 0.0015281500000000 ]- atom: 28 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000438600000000, -0.0000449500000000, -0.0000132600000000 ] - [ 0.0026386900000000, 0.0049389900000000, 0.0248598200000000 ] - [ 0.0000001600000000, 0.0000849600000000, -0.0001253000000000 ] - [ 0.0001963000000000, -0.0000582300000000, -0.0000808100000000 ] - [ 0.0000285200000000, 0.0000067700000000, -0.0000020200000000 ] - [ 0.0009440100000000, 0.0008461600000000, -0.0002692000000000 ] - [ -0.0014873400000000, -0.0005579200000000, -0.0018659200000000 ] - [ 0.0003329200000000, -0.0002022400000000, -0.0002153600000000 ] - [ 0.0002524200000000, 0.0000209500000000, -0.0000994600000000 ] - [ -0.0003742400000000, -0.0001234900000000, 0.0000744800000000 ] - [ 0.0001925900000000, 0.0000140100000000, 0.0001192700000000 ] - [ -0.0012733600000000, -0.0016671600000000, -0.0012888700000000 ] - [ -0.0002126100000000, -0.0002484000000000, -0.0000875000000000 ] - [ 0.0008434200000000, -0.0010051200000000, 0.0012108300000000 ] - [ -0.0002429800000000, -0.0007079600000000, 0.0003971300000000 ] - [ -0.0002468900000000, 0.0001269500000000, -0.0002584800000000 ] - [ 0.0001921200000000, -0.0003225900000000, 0.0004273600000000 ] - [ -0.0000476000000000, 0.0000460100000000, 0.0004027200000000 ] - [ 0.0009638100000000, -0.0011774300000000, -0.0013713700000000 ] - [ 0.0003205700000000, -0.0002044000000000, -0.0000591900000000 ] - [ 0.0005972900000000, 0.0004717200000000, -0.0001290000000000 ] - [ 0.0039304800000000, 0.0028823100000000, -0.0003613500000000 ] - [ -0.0001622000000000, -0.0000513200000000, -0.0000315500000000 ] - [ 0.0107075000000000, -0.0183978200000000, 0.0514944900000000 ] - [ -0.0001645500000000, -0.0002032000000000, 0.0000608800000000 ] - [ 0.0065885500000000, 0.0012444900000000, -0.0147913200000000 ] - [ 0.0004459600000000, 0.0000557300000000, -0.0002542400000000 ] - [ 0.0022364700000000, 0.0025375100000000, -0.3087937300000000 ] - [ -0.0004273500000000, -0.0009626700000000, 0.0044848000000000 ] - [ -0.0001155800000000, -0.0000693200000000, -0.0001803800000000 ] - [ -0.0008559900000000, 0.0020106300000000, 0.0054455700000000 ] - [ 0.0000460700000000, -0.0000128200000000, 0.0000565800000000 ] - [ 0.0001176100000000, -0.0000690900000000, -0.0000352600000000 ] - [ 0.0001517200000000, -0.0001146500000000, -0.0001796800000000 ] - [ 0.0005190000000000, 0.0011131900000000, 0.0034546300000000 ] - [ 0.0002716300000000, -0.0000916400000000, -0.0000253900000000 ] - [ -0.0000004100000000, -0.0005738200000000, -0.0004685500000000 ] - [ -0.0000357500000000, -0.0001263500000000, 0.0000723100000000 ] - [ -0.0002348500000000, -0.0004960400000000, -0.0002842100000000 ] - [ 0.0000658800000000, -0.0000242600000000, 0.0001401400000000 ] - [ 0.0000302700000000, -0.0002550500000000, 0.0000747200000000 ] - [ -0.0003022800000000, 0.0000257900000000, 0.0000016700000000 ] - [ -0.0004018800000000, -0.0071657500000000, -0.0162422100000000 ] - [ -0.0001664900000000, 0.0002520400000000, -0.0000719400000000 ] - [ -0.0153027800000000, 0.0124736600000000, 0.0421208400000000 ] - [ 0.0001551700000000, 0.0004421600000000, 0.0001431600000000 ] - [ -0.0000884200000000, -0.0004244100000000, 0.0002923100000000 ] - [ -0.0007359500000000, 0.0010653400000000, -0.0015211400000000 ] - [ -0.0009924500000000, 0.0095020600000000, 0.0017014400000000 ] - [ -0.0014731100000000, -0.0045402900000000, 0.0010309700000000 ] - [ -0.0006174000000000, -0.0006251000000000, -0.0000262700000000 ] - [ 0.0000936100000000, -0.0000401100000000, 0.0002983700000000 ] - [ 0.0006096500000000, -0.0003441600000000, -0.0004488100000000 ] - [ -0.0012237800000000, -0.0011581000000000, -0.0008908000000000 ] - [ -0.0024223100000000, 0.0002180100000000, 0.0026025700000000 ] - [ -0.0000494200000000, -0.0001509000000000, -0.0000139500000000 ] - [ 0.0002324800000000, -0.0000463400000000, 0.0000015400000000 ] - [ -0.0000145800000000, -0.0001433900000000, 0.0000277700000000 ] - [ -0.0002563500000000, 0.0002457600000000, -0.0000124600000000 ] - [ 0.0000013200000000, 0.0000373100000000, 0.0001256400000000 ] - [ 0.0045777900000000, -0.0043643900000000, 0.0014154200000000 ] - [ 0.0002774000000000, -0.0005814800000000, -0.0001722000000000 ] - [ 0.0339344900000000, -0.0224347500000000, 0.0448673000000000 ] - [ 0.0015393700000000, 0.0020034100000000, 0.0041806200000000 ] - [ -0.0002624600000000, 0.0006335200000000, -0.0003159400000000 ] - [ -0.0009542300000000, 0.0001886100000000, 0.0008257200000000 ] - [ -0.0012101600000000, -0.0004180100000000, -0.0011804300000000 ] - [ -0.0001364500000000, 0.0006721800000000, 0.0002867300000000 ] - [ -0.0036647500000000, 0.0044206400000000, 0.0009108200000000 ] - [ -0.0008886100000000, -0.0004755800000000, 0.0000152700000000 ] - [ -0.0000432400000000, 0.0000341500000000, -0.0001155000000000 ] - [ -0.0000170500000000, 0.0001774200000000, 0.0000336200000000 ] - [ 0.0002242600000000, 0.0000697000000000, 0.0003233100000000 ] - [ -0.0000066200000000, -0.0000104600000000, 0.0000438500000000 ] - [ -0.0002863400000000, 0.0001142000000000, 0.0000858400000000 ] - [ 0.0001686500000000, -0.0001824400000000, 0.0001082800000000 ] - [ -0.0082734100000000, 0.0038605900000000, -0.0057942400000000 ] - [ 0.0003617500000000, 0.0001773000000000, 0.0000534200000000 ] - [ 0.0004362800000000, 0.0003599200000000, -0.0001815500000000 ] - [ 0.0001898700000000, 0.0000814800000000, -0.0000320200000000 ] - [ -0.0002632600000000, 0.0002581800000000, -0.0000540400000000 ] - [ -0.0004158400000000, -0.0000130300000000, -0.0000273400000000 ] - [ 0.0000828900000000, 0.0000797800000000, -0.0000874300000000 ] - [ 0.0001237100000000, -0.0000768300000000, 0.0002185700000000 ] - [ -0.0005194500000000, -0.0002309300000000, -0.0002373100000000 ] - [ -0.0001071700000000, 0.0003538700000000, 0.0001518400000000 ] - [ 0.0001078100000000, -0.0001059000000000, 0.0002173000000000 ] - [ 0.0002395500000000, 0.0009111500000000, 0.0002199400000000 ] - [ 0.0006621200000000, -0.0016624300000000, -0.0000415400000000 ] - [ 0.0002900300000000, 0.0000546600000000, -0.0000567300000000 ] - [ -0.0016411800000000, 0.0306527800000000, 0.0388298000000000 ] - [ 0.0003126700000000, 0.0000221000000000, 0.0000595600000000 ] - [ -0.0003023100000000, 0.0005507300000000, -0.0008989800000000 ] - [ 0.0002043400000000, 0.0005696200000000, -0.0000486100000000 ] - [ 0.0003177400000000, 0.0002611100000000, 0.0002512300000000 ] - [ 0.0002977200000000, 0.0000809600000000, -0.0001474000000000 ] - [ -0.0298109700000000, -0.0098908000000000, 0.1042860800000000 ] - [ 0.0000638900000000, 0.0004001000000000, 0.0000783400000000 ] - [ 0.0000443800000000, 0.0002174900000000, -0.0000333300000000 ] - [ 0.0003131000000000, -0.0000288200000000, -0.0000846200000000 ] - [ 0.0056346200000000, -0.0009718400000000, -0.0075605600000000 ] - [ 0.0001983500000000, -0.0005366400000000, 0.0002206300000000 ] - [ 0.0019200700000000, -0.0012353300000000, 0.0025764900000000 ] - [ -0.0074527200000000, -0.0022419700000000, 0.0261867100000000 ]- atom: 28 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000429800000000, -0.0000846200000000, -0.0000069600000000 ] - [ -0.0023814600000000, -0.0047009000000000, -0.0248750000000000 ] - [ 0.0001586900000000, 0.0000615900000000, -0.0001267200000000 ] - [ -0.0000386100000000, -0.0000886400000000, -0.0001706300000000 ] - [ -0.0000279500000000, 0.0001210700000000, -0.0000177400000000 ] - [ -0.0009443500000000, -0.0007096100000000, 0.0002433900000000 ] - [ 0.0012842800000000, 0.0007391600000000, 0.0015953600000000 ] - [ -0.0004871200000000, 0.0000538900000000, -0.0000372800000000 ] - [ 0.0001695900000000, 0.0000737900000000, -0.0000672000000000 ] - [ -0.0000491600000000, 0.0000261900000000, -0.0002384900000000 ] - [ 0.0001012600000000, 0.0000774900000000, 0.0000858900000000 ] - [ 0.0009728500000000, 0.0017506200000000, 0.0014853000000000 ] - [ -0.0000816900000000, 0.0001526300000000, 0.0002897700000000 ] - [ -0.0012563900000000, 0.0010911600000000, -0.0013688300000000 ] - [ 0.0005346400000000, 0.0006092100000000, -0.0001867200000000 ] - [ 0.0006670100000000, -0.0002263300000000, 0.0000864600000000 ] - [ 0.0000214100000000, -0.0002313900000000, -0.0004717000000000 ] - [ -0.0000948400000000, 0.0004027500000000, -0.0003249000000000 ] - [ -0.0007525700000000, 0.0012233200000000, 0.0014631100000000 ] - [ 0.0002772600000000, -0.0000520700000000, -0.0001437900000000 ] - [ 0.0000077400000000, -0.0002178600000000, -0.0000735700000000 ] - [ -0.0036250900000000, -0.0022827100000000, 0.0003266800000000 ] - [ -0.0000740600000000, 0.0000668700000000, -0.0000487200000000 ] - [ -0.0108813400000000, 0.0178466400000000, -0.0511675800000000 ] - [ 0.0003082300000000, 0.0006466900000000, 0.0000120600000000 ] - [ -0.0063874600000000, -0.0016146400000000, 0.0147341400000000 ] - [ 0.0001366700000000, -0.0001670800000000, 0.0001406400000000 ] - [ 0.0024255100000000, -0.0014594500000000, 0.2999236000000000 ] - [ 0.0000358200000000, 0.0007414500000000, -0.0041344100000000 ] - [ -0.0002771700000000, 0.0002732300000000, -0.0001985700000000 ] - [ 0.0014359900000000, -0.0018829400000000, -0.0055554500000000 ] - [ 0.0001661300000000, -0.0000396000000000, 0.0000477800000000 ] - [ 0.0001187000000000, 0.0000502000000000, -0.0000447800000000 ] - [ 0.0002421100000000, -0.0000927100000000, -0.0001989000000000 ] - [ -0.0001438200000000, -0.0008914900000000, -0.0037964300000000 ] - [ 0.0001181600000000, 0.0003033200000000, 0.0003261900000000 ] - [ -0.0005846800000000, 0.0004699100000000, 0.0003721000000000 ] - [ -0.0001085600000000, -0.0003226500000000, 0.0000021000000000 ] - [ -0.0003658700000000, 0.0002434600000000, 0.0000636300000000 ] - [ 0.0003249900000000, -0.0001904200000000, 0.0001612200000000 ] - [ -0.0002399600000000, 0.0003030800000000, 0.0000301600000000 ] - [ -0.0002789800000000, 0.0000856700000000, -0.0001125600000000 ] - [ 0.0007094300000000, 0.0070999500000000, 0.0160664400000000 ] - [ -0.0000469700000000, 0.0003007400000000, 0.0000222600000000 ] - [ 0.0147766200000000, -0.0124443100000000, -0.0418821300000000 ] - [ -0.0003726800000000, -0.0010023800000000, -0.0001964700000000 ] - [ -0.0002966400000000, 0.0006291000000000, 0.0000156300000000 ] - [ 0.0001325400000000, -0.0008005700000000, 0.0013032300000000 ] - [ 0.0004862700000000, -0.0091733400000000, -0.0019988500000000 ] - [ 0.0011691600000000, 0.0046895900000000, -0.0005440700000000 ] - [ 0.0000138400000000, 0.0007593200000000, -0.0001376100000000 ] - [ 0.0001932200000000, 0.0002415900000000, 0.0001811400000000 ] - [ -0.0000863500000000, 0.0002425100000000, 0.0003412300000000 ] - [ 0.0011446600000000, 0.0013369400000000, 0.0008210900000000 ] - [ 0.0023399600000000, -0.0004669900000000, -0.0025110300000000 ] - [ -0.0000660800000000, -0.0000179700000000, -0.0000357600000000 ] - [ 0.0001853800000000, -0.0000068400000000, -0.0000014500000000 ] - [ 0.0000834800000000, -0.0001063900000000, 0.0000452000000000 ] - [ -0.0001621400000000, -0.0001896800000000, 0.0000126200000000 ] - [ 0.0001979700000000, -0.0000918200000000, 0.0000432600000000 ] - [ -0.0043948700000000, 0.0042362000000000, -0.0016548200000000 ] - [ 0.0001442400000000, 0.0006253500000000, 0.0001728300000000 ] - [ -0.0354536400000000, 0.0235960300000000, -0.0454524800000000 ] - [ -0.0015133200000000, -0.0022514100000000, -0.0040959500000000 ] - [ 0.0000545900000000, 0.0000811900000000, 0.0004819100000000 ] - [ 0.0005618900000000, -0.0002621200000000, -0.0001846500000000 ] - [ 0.0006314900000000, 0.0002422800000000, 0.0009903400000000 ] - [ -0.0000653200000000, -0.0007233200000000, -0.0001178100000000 ] - [ 0.0042091100000000, -0.0044058200000000, -0.0007791000000000 ] - [ 0.0016359100000000, -0.0002494600000000, -0.0003860700000000 ] - [ -0.0000734400000000, -0.0001043000000000, -0.0000862600000000 ] - [ 0.0000532800000000, 0.0000801500000000, 0.0000369900000000 ] - [ 0.0001468100000000, -0.0001468800000000, 0.0003090100000000 ] - [ -0.0000302600000000, -0.0002438300000000, 0.0000271300000000 ] - [ -0.0002865900000000, -0.0001317200000000, 0.0000404700000000 ] - [ 0.0004333600000000, 0.0003243100000000, -0.0002703700000000 ] - [ 0.0074086000000000, -0.0030847200000000, 0.0053842100000000 ] - [ -0.0001620200000000, -0.0001198500000000, 0.0001146600000000 ] - [ 0.0003126400000000, 0.0003684600000000, -0.0001914600000000 ] - [ -0.0002569300000000, 0.0001700500000000, 0.0001048600000000 ] - [ -0.0002391100000000, -0.0004842700000000, -0.0001952000000000 ] - [ -0.0000964500000000, -0.0000844800000000, -0.0000723300000000 ] - [ 0.0000344500000000, -0.0000069900000000, -0.0001138900000000 ] - [ 0.0001641100000000, -0.0001250900000000, 0.0002601200000000 ] - [ -0.0002312600000000, -0.0004956600000000, -0.0001367200000000 ] - [ -0.0001812000000000, -0.0005550400000000, 0.0003266400000000 ] - [ 0.0002612600000000, 0.0001872500000000, 0.0004137600000000 ] - [ -0.0006058500000000, -0.0008250200000000, 0.0004122600000000 ] - [ -0.0004534900000000, 0.0009299900000000, 0.0002046900000000 ] - [ 0.0002206400000000, 0.0000443600000000, -0.0000432900000000 ] - [ 0.0011126200000000, -0.0318964300000000, -0.0388580100000000 ] - [ 0.0002605800000000, -0.0000020500000000, 0.0000665200000000 ] - [ 0.0001035000000000, -0.0004872200000000, 0.0010579200000000 ] - [ 0.0002973700000000, -0.0007954700000000, -0.0002013700000000 ] - [ -0.0002475500000000, -0.0000099700000000, -0.0001784500000000 ] - [ 0.0002033200000000, 0.0001512700000000, -0.0001026400000000 ] - [ 0.0265072100000000, 0.0090049900000000, -0.0956375500000000 ] - [ 0.0001442500000000, 0.0003152400000000, 0.0000870900000000 ] - [ 0.0000706000000000, -0.0000475200000000, -0.0000168200000000 ] - [ 0.0002868400000000, -0.0001127000000000, -0.0000798300000000 ] - [ -0.0056576700000000, 0.0012232800000000, 0.0075641700000000 ] - [ -0.0004025800000000, -0.0001790900000000, -0.0000537900000000 ] - [ -0.0018082500000000, 0.0010431100000000, -0.0026045900000000 ] - [ 0.0060305600000000, 0.0020492500000000, -0.0261095400000000 ]- atom: 29 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0035792400000000, -0.0025107600000000, 0.0002605500000000 ] - [ -0.0005953700000000, 0.0006325300000000, 0.0000633300000000 ] - [ -0.0003655900000000, 0.0002266400000000, -0.0001539500000000 ] - [ 0.0003028000000000, -0.0000082500000000, -0.0001161600000000 ] - [ 0.0021231700000000, 0.0012379600000000, -0.0002621400000000 ] - [ 0.0007697800000000, -0.0001642400000000, -0.0000451600000000 ] - [ 0.0006056100000000, 0.0138734000000000, 0.0013272600000000 ] - [ 0.0096991200000000, -0.0000945500000000, 0.0004021500000000 ] - [ 0.0008361000000000, -0.0001602700000000, 0.0002086300000000 ] - [ 0.0126061100000000, -0.0184551900000000, 0.0165709200000000 ] - [ 0.0007556700000000, -0.0001593500000000, -0.0001944900000000 ] - [ 0.0027169100000000, -0.0021568900000000, -0.0001609400000000 ] - [ 0.0134218800000000, -0.0203572900000000, -0.0170688100000000 ] - [ 0.0029614700000000, -0.0018955700000000, 0.0002203700000000 ] - [ -0.0000803200000000, -0.0000416100000000, 0.0001483900000000 ] - [ -0.0000162800000000, -0.0000408100000000, -0.0001267300000000 ] - [ 0.0201986300000000, 0.0189751300000000, -0.0033493400000000 ] - [ -0.0002047300000000, 0.0005213700000000, -0.0000311400000000 ] - [ 0.0004681600000000, 0.0000513200000000, 0.0000243800000000 ] - [ 0.0011703700000000, 0.0006055800000000, -0.0002047400000000 ] - [ 0.0001518400000000, 0.0002155600000000, -0.0000760000000000 ] - [ 0.0024855500000000, 0.0025560600000000, 0.0002867300000000 ] - [ 0.0069990900000000, -0.0053188900000000, -0.0015131700000000 ] - [ -0.0105167300000000, 0.0038378200000000, -0.0036011800000000 ] - [ 0.0128906100000000, 0.0019195600000000, -0.0000925200000000 ] - [ 0.0000951200000000, -0.0216860200000000, -0.0035445500000000 ] - [ 0.0047955300000000, 0.0057248500000000, 0.0009654700000000 ] - [ -0.0015207000000000, -0.0014148800000000, -0.0004183500000000 ] - [ -0.4017824400000000, 0.0188111400000000, -0.0028208700000000 ] - [ 0.0052168400000000, -0.0009205900000000, -0.0000867000000000 ] - [ -0.0003381800000000, 0.0014496100000000, -0.0001911800000000 ] - [ -0.0010990800000000, -0.0007306200000000, 0.0001118800000000 ] - [ 0.0008464000000000, -0.0018182500000000, -0.0005753600000000 ] - [ -0.0019330100000000, -0.0019201700000000, -0.0000594600000000 ] - [ 0.0007616600000000, -0.0001275700000000, -0.0002667700000000 ] - [ 0.0007264700000000, 0.0004113600000000, 0.0000918800000000 ] - [ 0.0005663800000000, 0.0006808200000000, 0.0001218200000000 ] - [ 0.0001316200000000, -0.0004997200000000, 0.0000962900000000 ] - [ 0.0027343600000000, 0.0020087400000000, -0.0000836000000000 ] - [ -0.0000063600000000, -0.0001913100000000, 0.0001908200000000 ] - [ 0.0092870400000000, -0.0014043600000000, -0.0005176300000000 ] - [ -0.0054563000000000, 0.0038323400000000, -0.0008709700000000 ] - [ -0.0000287300000000, -0.0004583900000000, 0.0000624200000000 ] - [ -0.0013283100000000, 0.0020710000000000, -0.0000457900000000 ] - [ -0.0010122800000000, -0.0012250800000000, 0.0001220400000000 ] - [ 0.0002042800000000, 0.0001041800000000, -0.0000049400000000 ] - [ 0.0061033000000000, 0.0017342400000000, -0.0002732200000000 ] - [ -0.0302577800000000, 0.0159192200000000, 0.0135807700000000 ] - [ 0.0340532300000000, -0.0030363100000000, 0.0130397700000000 ] - [ 0.0504224100000000, -0.0009229400000000, -0.0418151500000000 ] - [ -0.0025752500000000, -0.0085048500000000, -0.0006478600000000 ] - [ 0.0001571700000000, 0.0001269300000000, 0.0002596500000000 ] - [ -0.0005620600000000, -0.0001201500000000, -0.0000525600000000 ] - [ -0.0002789500000000, -0.0005699500000000, -0.0000226400000000 ] - [ -0.0018285700000000, 0.0045396500000000, 0.0015817500000000 ] - [ 0.0012791400000000, -0.0032240700000000, -0.0000876900000000 ] - [ 0.0007013300000000, 0.0005314100000000, 0.0001063500000000 ] - [ -0.0003173000000000, 0.0000028000000000, 0.0000113100000000 ] - [ -0.0060915500000000, 0.0014782400000000, 0.0014720400000000 ] - [ -0.0003690400000000, 0.0001016800000000, 0.0000842200000000 ] - [ -0.0000077700000000, 0.0005406700000000, -0.0002997100000000 ] - [ 0.0000413400000000, -0.0000303100000000, -0.0000196000000000 ] - [ 0.0003773500000000, 0.0004326600000000, 0.0000943000000000 ] - [ 0.0002894800000000, 0.0000382900000000, 0.0000326200000000 ] - [ -0.0035007700000000, 0.0003953800000000, 0.0000976000000000 ] - [ -0.0030191700000000, -0.0010968100000000, 0.0001587700000000 ] - [ -0.0010555000000000, -0.0015433200000000, -0.0001950000000000 ] - [ -0.0053547200000000, 0.0004897300000000, 0.0002101300000000 ] - [ 0.0000714100000000, 0.0001438500000000, 0.0000438200000000 ] - [ -0.0000235000000000, -0.0004821300000000, -0.0001738300000000 ] - [ -0.0033009000000000, 0.0013669000000000, -0.0015814100000000 ] - [ -0.0010597800000000, 0.0010616900000000, 0.0000745400000000 ] - [ -0.0000843100000000, -0.0007677600000000, 0.0003835700000000 ] - [ -0.0107095700000000, 0.0154809000000000, -0.0004503400000000 ] - [ -0.0057881000000000, 0.0001852700000000, 0.0009635100000000 ] - [ 0.0001974900000000, -0.0002474900000000, -0.0000732300000000 ] - [ 0.0032584300000000, -0.0043474500000000, 0.0002769400000000 ] - [ 0.0003223400000000, 0.0000526000000000, 0.0000654800000000 ] - [ 0.0018556100000000, 0.0001706400000000, -0.0002540900000000 ] - [ -0.0119725000000000, 0.0029623700000000, 0.0006334000000000 ] - [ -0.0057222800000000, 0.0001208500000000, -0.0015661600000000 ] - [ -0.0053706400000000, -0.0004308800000000, -0.0002266700000000 ] - [ -0.0004900100000000, 0.0030784400000000, 0.0013746500000000 ] - [ -0.0000283700000000, -0.0005572600000000, 0.0001935500000000 ] - [ -0.0110864700000000, -0.0018936500000000, 0.0000840600000000 ] - [ -0.0042617400000000, -0.0024972300000000, 0.0010088800000000 ] - [ 0.0002183900000000, -0.0000653400000000, 0.0002909600000000 ] - [ 0.0610966500000000, 0.0321912000000000, 0.0222403500000000 ] - [ 0.0002872700000000, -0.0005821800000000, 0.0000567500000000 ] - [ 0.0037860400000000, 0.0002904500000000, -0.0001363300000000 ] - [ 0.0038755000000000, 0.0040719100000000, -0.0015382100000000 ] - [ 0.0010026600000000, 0.0011375000000000, 0.0001598000000000 ] - [ 0.2398131900000000, -0.0485841400000000, 0.0102322800000000 ] - [ 0.0000944900000000, -0.0003055600000000, -0.0000823200000000 ] - [ 0.0002329700000000, 0.0000218200000000, 0.0000521900000000 ] - [ 0.0004215800000000, 0.0003702100000000, -0.0001652700000000 ] - [ 0.0003976500000000, 0.0008444500000000, -0.0000625800000000 ] - [ -0.0005508600000000, -0.0000734400000000, 0.0001393400000000 ] - [ -0.0018881500000000, -0.0088537700000000, -0.0005530900000000 ] - [ 0.0008707800000000, -0.0019580100000000, -0.0001250600000000 ] - [ -0.0003172500000000, 0.0017547900000000, -0.0000032700000000 ] - [ 0.0191908600000000, 0.0045158400000000, -0.0036048600000000 ] - [ -0.0005090300000000, -0.0013877600000000, 0.0001061300000000 ] - [ 0.0012989400000000, -0.0000561700000000, 0.0001080300000000 ]- atom: 29 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0035693500000000, 0.0023642800000000, -0.0002816700000000 ] - [ 0.0005884700000000, -0.0007653500000000, -0.0000832500000000 ] - [ 0.0005231500000000, -0.0000819900000000, -0.0000966200000000 ] - [ -0.0001443100000000, -0.0001382100000000, -0.0001341300000000 ] - [ -0.0021169600000000, -0.0011146300000000, 0.0002427900000000 ] - [ -0.0007689800000000, 0.0002999600000000, 0.0000259700000000 ] - [ -0.0007599600000000, -0.0136568700000000, -0.0015815400000000 ] - [ -0.0098867600000000, -0.0000734600000000, -0.0006480000000000 ] - [ -0.0004139200000000, 0.0002529500000000, -0.0003764800000000 ] - [ -0.0128521000000000, 0.0183228000000000, -0.0167426200000000 ] - [ -0.0004617700000000, 0.0002482000000000, 0.0004007200000000 ] - [ -0.0030052900000000, 0.0022684000000000, 0.0003603100000000 ] - [ -0.0135461000000000, 0.0201831100000000, 0.0172672600000000 ] - [ -0.0033801800000000, 0.0020098500000000, -0.0003816100000000 ] - [ 0.0003723500000000, -0.0000513100000000, 0.0000591900000000 ] - [ 0.0004367900000000, -0.0000558400000000, -0.0000424400000000 ] - [ -0.0199751400000000, -0.0196721300000000, 0.0032581400000000 ] - [ 0.0000628400000000, -0.0000751600000000, 0.0001049000000000 ] - [ -0.0002630400000000, -0.0000031700000000, 0.0000789800000000 ] - [ -0.0005696800000000, -0.0008620700000000, -0.0000000700000000 ] - [ 0.0004432500000000, 0.0000395500000000, -0.0001275500000000 ] - [ -0.0022814600000000, -0.0019959300000000, -0.0003335900000000 ] - [ -0.0072353100000000, 0.0053114800000000, 0.0014337100000000 ] - [ 0.0102069900000000, -0.0039647200000000, 0.0037215100000000 ] - [ -0.0127273500000000, -0.0014647500000000, 0.0001620300000000 ] - [ 0.0002219400000000, 0.0212102200000000, 0.0036283400000000 ] - [ -0.0042059500000000, -0.0058286300000000, -0.0010707900000000 ] - [ 0.0011206000000000, 0.0011785600000000, 0.0000449900000000 ] - [ 0.3877871900000000, -0.0125622400000000, 0.0026059700000000 ] - [ -0.0055976300000000, 0.0011132200000000, -0.0002948500000000 ] - [ 0.0008988600000000, -0.0013323600000000, 0.0000776700000000 ] - [ 0.0013017200000000, 0.0006772000000000, -0.0000078800000000 ] - [ -0.0006089100000000, 0.0017914900000000, 0.0004965200000000 ] - [ 0.0023200200000000, 0.0017136300000000, -0.0003185300000000 ] - [ -0.0003673400000000, 0.0003312000000000, -0.0001132100000000 ] - [ -0.0003396500000000, -0.0002003200000000, 0.0002109500000000 ] - [ -0.0011403100000000, -0.0007900200000000, -0.0002328700000000 ] - [ -0.0002742800000000, 0.0000495900000000, -0.0000221500000000 ] - [ -0.0033382600000000, -0.0022548900000000, -0.0001220400000000 ] - [ 0.0003907300000000, -0.0000224900000000, 0.0001121500000000 ] - [ -0.0095000900000000, 0.0014520900000000, 0.0006218900000000 ] - [ 0.0048672300000000, -0.0037131100000000, 0.0007544500000000 ] - [ 0.0002720900000000, 0.0004689900000000, -0.0001439000000000 ] - [ 0.0011216200000000, -0.0015190800000000, -0.0000032900000000 ] - [ 0.0008081600000000, 0.0012090500000000, -0.0002081300000000 ] - [ -0.0004080400000000, -0.0006542100000000, -0.0000457400000000 ] - [ -0.0065136400000000, -0.0015281700000000, 0.0005742000000000 ] - [ 0.0296483200000000, -0.0155221400000000, -0.0137700200000000 ] - [ -0.0343440200000000, 0.0025167800000000, -0.0128396000000000 ] - [ -0.0505194100000000, 0.0011086300000000, 0.0429206500000000 ] - [ 0.0019554100000000, 0.0086277500000000, 0.0004416400000000 ] - [ 0.0001303300000000, 0.0000762800000000, 0.0002182700000000 ] - [ 0.0010709300000000, 0.0000130200000000, -0.0000463400000000 ] - [ 0.0001667800000000, 0.0007387300000000, -0.0000282100000000 ] - [ 0.0017183200000000, -0.0048015400000000, -0.0015102400000000 ] - [ -0.0013908900000000, 0.0030503800000000, 0.0000379800000000 ] - [ -0.0002857000000000, -0.0005799100000000, -0.0001077000000000 ] - [ 0.0003936000000000, -0.0002504700000000, 0.0000621600000000 ] - [ 0.0056716700000000, -0.0014221500000000, -0.0014725200000000 ] - [ 0.0005572300000000, -0.0001533600000000, 0.0000845900000000 ] - [ 0.0001136100000000, -0.0006120100000000, 0.0001014600000000 ] - [ 0.0003727700000000, 0.0000826900000000, 0.0000183500000000 ] - [ -0.0005029000000000, -0.0003492800000000, -0.0002953000000000 ] - [ -0.0002427900000000, -0.0002889600000000, 0.0000389000000000 ] - [ 0.0033000200000000, 0.0003158900000000, 0.0000688300000000 ] - [ 0.0026600500000000, 0.0010114700000000, 0.0004781200000000 ] - [ 0.0004608400000000, 0.0013954600000000, 0.0000291800000000 ] - [ 0.0051903300000000, -0.0005568900000000, -0.0000409900000000 ] - [ 0.0004953700000000, -0.0001599500000000, 0.0000815800000000 ] - [ 0.0007698200000000, -0.0002454900000000, -0.0002007700000000 ] - [ 0.0031856800000000, -0.0014313000000000, 0.0013802600000000 ] - [ 0.0011051000000000, -0.0008030100000000, -0.0000040100000000 ] - [ 0.0004545000000000, 0.0006908900000000, 0.0002499400000000 ] - [ 0.0106127500000000, -0.0157543500000000, 0.0005341000000000 ] - [ 0.0052158900000000, -0.0001949800000000, -0.0008350300000000 ] - [ 0.0004057100000000, 0.0003877200000000, -0.0000926800000000 ] - [ -0.0039740200000000, 0.0050581500000000, -0.0006504800000000 ] - [ -0.0001319300000000, 0.0000029300000000, 0.0001032300000000 ] - [ -0.0011060000000000, 0.0005584900000000, -0.0001202100000000 ] - [ 0.0118544700000000, -0.0027160000000000, -0.0005434100000000 ] - [ 0.0052248000000000, -0.0003495600000000, 0.0013163100000000 ] - [ 0.0048454200000000, 0.0003310000000000, 0.0001276200000000 ] - [ 0.0006094600000000, -0.0030020900000000, -0.0015809300000000 ] - [ 0.0003141900000000, 0.0003561900000000, 0.0002842200000000 ] - [ 0.0103378500000000, 0.0011934300000000, -0.0004524500000000 ] - [ 0.0039777500000000, 0.0022890000000000, -0.0005315600000000 ] - [ 0.0001527300000000, 0.0001426500000000, 0.0003426600000000 ] - [ -0.0627500400000000, -0.0341756400000000, -0.0229403300000000 ] - [ -0.0000853400000000, -0.0001353900000000, 0.0001098900000000 ] - [ -0.0032683800000000, -0.0001834600000000, 0.0000366200000000 ] - [ -0.0042759200000000, -0.0040710400000000, 0.0015217300000000 ] - [ -0.0004313300000000, -0.0011162200000000, -0.0000338700000000 ] - [ -0.2258415600000000, 0.0451659100000000, -0.0092792100000000 ] - [ 0.0004035600000000, 0.0000761600000000, -0.0001664000000000 ] - [ -0.0001570000000000, 0.0002291600000000, 0.0000211500000000 ] - [ 0.0000774200000000, -0.0001373800000000, -0.0000838800000000 ] - [ -0.0009757200000000, -0.0007745300000000, 0.0001891900000000 ] - [ 0.0007496400000000, 0.0007949500000000, 0.0000272900000000 ] - [ 0.0019926600000000, 0.0089817000000000, 0.0005056200000000 ] - [ -0.0002668800000000, 0.0018111600000000, -0.0000410300000000 ] - [ 0.0002549100000000, -0.0015164100000000, 0.0000758900000000 ] - [ -0.0193641000000000, -0.0051964100000000, 0.0037914300000000 ] - [ 0.0006256100000000, 0.0012117100000000, -0.0001551300000000 ] - [ -0.0017924900000000, 0.0001669100000000, -0.0002062300000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0013151600000000, 0.0042474200000000, 0.0001647100000000 ] - [ 0.0010921700000000, 0.0037227200000000, 0.0001884400000000 ] - [ 0.0000849200000000, 0.0031433800000000, -0.0000976200000000 ] - [ 0.0000008700000000, 0.0025945800000000, -0.0001586300000000 ] - [ 0.0009583400000000, 0.0025602900000000, -0.0001824100000000 ] - [ -0.0004815500000000, 0.0011539400000000, -0.0000546500000000 ] - [ 0.0110297000000000, -0.0104155300000000, -0.0024504600000000 ] - [ 0.0025059700000000, -0.0098316700000000, 0.0026056800000000 ] - [ 0.0001707200000000, 0.0018841900000000, -0.0002155100000000 ] - [ -0.0104837900000000, 0.0027395800000000, -0.0025808300000000 ] - [ 0.0001046300000000, 0.0018635200000000, 0.0002084700000000 ] - [ -0.0054956600000000, -0.0005719700000000, 0.0009456300000000 ] - [ -0.0127524000000000, 0.0033351700000000, 0.0024359300000000 ] - [ -0.0044836400000000, -0.0010357100000000, -0.0007156700000000 ] - [ 0.0004556600000000, 0.0022923200000000, -0.0002661600000000 ] - [ 0.0004878100000000, 0.0022842300000000, 0.0002966700000000 ] - [ 0.0206236900000000, 0.0180927300000000, -0.0051573900000000 ] - [ -0.0001702100000000, 0.0040111000000000, -0.0000889400000000 ] - [ 0.0000557800000000, 0.0033344700000000, 0.0000744900000000 ] - [ 0.0009933700000000, 0.0033505600000000, -0.0000702500000000 ] - [ 0.0006638500000000, 0.0032535900000000, -0.0002313500000000 ] - [ 0.0074695500000000, -0.0006831900000000, -0.0002662500000000 ] - [ -0.0012072500000000, 0.0024257300000000, -0.0000216600000000 ] - [ 0.0185378300000000, 0.0389773200000000, 0.0052135100000000 ] - [ -0.0027142800000000, -0.0064678700000000, 0.0006633700000000 ] - [ -0.0234612300000000, -0.0100981800000000, -0.0200783300000000 ] - [ 0.0032042500000000, 0.0062946100000000, 0.0009719400000000 ] - [ 0.0021064000000000, 0.0103279000000000, -0.0010363100000000 ] - [ 0.0171276400000000, -0.3246310100000000, 0.0250349900000000 ] - [ 0.0018647400000000, -0.0006576600000000, 0.0003370100000000 ] - [ 0.0042300400000000, 0.0011898400000000, -0.0005471400000000 ] - [ -0.0006541300000000, 0.0031326300000000, 0.0001020400000000 ] - [ -0.0003002900000000, 0.0021429500000000, -0.0000455400000000 ] - [ -0.0012125700000000, 0.0028755000000000, -0.0001063200000000 ] - [ -0.0008804100000000, 0.0032664400000000, 0.0000078600000000 ] - [ 0.0005008400000000, 0.0034978900000000, 0.0002380400000000 ] - [ 0.0000032700000000, 0.0023644200000000, -0.0000091000000000 ] - [ -0.0002431700000000, 0.0033363400000000, 0.0001165100000000 ] - [ -0.0004304700000000, -0.0054422100000000, -0.0008033100000000 ] - [ 0.0002796600000000, 0.0031338100000000, -0.0000163700000000 ] - [ 0.0050171600000000, -0.0042440900000000, 0.0002927400000000 ] - [ -0.0017494300000000, 0.0050529300000000, -0.0004799600000000 ] - [ -0.0008823600000000, 0.0046876200000000, 0.0004646800000000 ] - [ -0.0002331900000000, 0.0041749500000000, 0.0001193600000000 ] - [ -0.0055538500000000, 0.0038234600000000, 0.0005956400000000 ] - [ -0.0001486000000000, 0.0025544300000000, -0.0001459600000000 ] - [ -0.0018266700000000, -0.0070903200000000, -0.0000445900000000 ] - [ -0.0004799600000000, -0.0083814400000000, 0.0179515200000000 ] - [ -0.0087084200000000, 0.1277124400000000, -0.0483666100000000 ] - [ 0.0013930000000000, 0.0566809200000000, 0.0054051700000000 ] - [ -0.0039225800000000, -0.0029071000000000, -0.0014815400000000 ] - [ -0.0000694100000000, -0.0030409100000000, 0.0001988400000000 ] - [ 0.0002965800000000, -0.0014323200000000, -0.0000843800000000 ] - [ -0.0010706500000000, -0.0020598700000000, 0.0001225500000000 ] - [ 0.0102963500000000, 0.0049469100000000, 0.0057396600000000 ] - [ 0.0004701900000000, -0.0038725900000000, -0.0000315600000000 ] - [ 0.0009183300000000, -0.0028978300000000, 0.0000634300000000 ] - [ -0.0003202600000000, -0.0022009300000000, 0.0000085000000000 ] - [ -0.0015683700000000, 0.0028213100000000, 0.0008564000000000 ] - [ 0.0005491100000000, -0.0021789000000000, 0.0000893500000000 ] - [ 0.0021380900000000, -0.0030112400000000, 0.0000836200000000 ] - [ 0.0000383500000000, -0.0029795900000000, -0.0000330300000000 ] - [ 0.0022665700000000, -0.0044910000000000, -0.0004280900000000 ] - [ -0.0008889900000000, -0.0035491400000000, -0.0000383900000000 ] - [ 0.0021889100000000, 0.0014417900000000, 0.0001329000000000 ] - [ -0.0024403300000000, 0.0040630400000000, 0.0003046400000000 ] - [ -0.0031233400000000, 0.0013933900000000, -0.0009862300000000 ] - [ 0.0032607900000000, 0.0047971100000000, 0.0003275900000000 ] - [ 0.0014347100000000, -0.0026455600000000, -0.0001983300000000 ] - [ 0.0001188100000000, -0.0022440900000000, -0.0000527500000000 ] - [ -0.0003792100000000, -0.0010709300000000, 0.0001003800000000 ] - [ 0.0006815700000000, -0.0021182900000000, -0.0000107000000000 ] - [ -0.0008273900000000, -0.0027880000000000, 0.0003961300000000 ] - [ 0.0015321100000000, 0.0002641700000000, -0.0004598100000000 ] - [ -0.0014255600000000, 0.0000863700000000, -0.0002039800000000 ] - [ 0.0007131100000000, -0.0023000200000000, 0.0000170600000000 ] - [ -0.0138511400000000, -0.0023390900000000, -0.0010577200000000 ] - [ -0.0006481600000000, -0.0024635800000000, 0.0000749700000000 ] - [ 0.0012150700000000, -0.0020155500000000, -0.0003616400000000 ] - [ 0.0050004400000000, 0.0043943200000000, -0.0003200200000000 ] - [ -0.0002536400000000, 0.0055012200000000, 0.0004018200000000 ] - [ -0.0030365600000000, -0.0010616700000000, -0.0002942500000000 ] - [ 0.0002171100000000, -0.0016128900000000, -0.0003183600000000 ] - [ 0.0001680500000000, -0.0034780900000000, 0.0002962300000000 ] - [ -0.0117285600000000, 0.0000347800000000, 0.0008412700000000 ] - [ 0.0005142300000000, 0.0063495200000000, -0.0000840100000000 ] - [ 0.0008023400000000, -0.0022161100000000, 0.0001959700000000 ] - [ 0.0360791100000000, 0.0732387500000000, 0.0191519400000000 ] - [ -0.0001562600000000, -0.0030235800000000, 0.0000700900000000 ] - [ 0.0018481400000000, -0.0024259200000000, 0.0000219900000000 ] - [ -0.0027772700000000, -0.0089789300000000, 0.0012209500000000 ] - [ 0.0006059400000000, -0.0020966500000000, 0.0003779800000000 ] - [ -0.0433040100000000, 0.0419527700000000, -0.0007892900000000 ] - [ 0.0000406700000000, -0.0033098600000000, -0.0002458500000000 ] - [ 0.0005026000000000, -0.0022905400000000, 0.0000669700000000 ] - [ 0.0005442200000000, -0.0029745500000000, -0.0000110300000000 ] - [ 0.0008023300000000, -0.0089396400000000, 0.0007661700000000 ] - [ -0.0001689200000000, -0.0018617800000000, 0.0001146200000000 ] - [ -0.0012821100000000, -0.0060210500000000, -0.0004712300000000 ] - [ -0.0003477500000000, -0.0036073900000000, -0.0002123500000000 ] - [ 0.0038056300000000, -0.0001627800000000, -0.0000702200000000 ] - [ 0.0060857900000000, 0.0001079000000000, -0.0039465500000000 ] - [ -0.0023147100000000, -0.0018094600000000, -0.0001450400000000 ] - [ -0.0043232300000000, -0.0028810000000000, 0.0000972500000000 ]- atom: 29 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0013140500000000, -0.0043879200000000, -0.0001848200000000 ] - [ -0.0010929500000000, -0.0038458500000000, -0.0002077700000000 ] - [ 0.0000731700000000, -0.0029934200000000, -0.0001541100000000 ] - [ 0.0001573900000000, -0.0027379400000000, -0.0000930700000000 ] - [ -0.0009568000000000, -0.0024239100000000, 0.0001625100000000 ] - [ 0.0004806600000000, -0.0010252100000000, 0.0000348600000000 ] - [ -0.0111835800000000, 0.0105169200000000, 0.0021889700000000 ] - [ -0.0026250800000000, 0.0096812900000000, -0.0028616200000000 ] - [ 0.0002515800000000, -0.0017863100000000, 0.0000483700000000 ] - [ 0.0101291600000000, -0.0027948900000000, 0.0024712600000000 ] - [ 0.0001894500000000, -0.0017688100000000, -0.0000028800000000 ] - [ 0.0051891400000000, 0.0006564400000000, -0.0007385800000000 ] - [ 0.0125623900000000, -0.0033883800000000, -0.0022929000000000 ] - [ 0.0040526200000000, 0.0011222500000000, 0.0005479000000000 ] - [ -0.0001615200000000, -0.0023818400000000, 0.0004709700000000 ] - [ -0.0000655300000000, -0.0023770500000000, -0.0004630800000000 ] - [ -0.0205663700000000, -0.0186950800000000, 0.0050346300000000 ] - [ 0.0000253500000000, -0.0035584900000000, 0.0001621800000000 ] - [ 0.0001541800000000, -0.0032803000000000, 0.0000299200000000 ] - [ -0.0003948700000000, -0.0036019100000000, -0.0001331300000000 ] - [ -0.0000649600000000, -0.0029943400000000, 0.0000277300000000 ] - [ -0.0072229700000000, 0.0012290900000000, 0.0002197700000000 ] - [ 0.0009821400000000, -0.0024086500000000, -0.0000598700000000 ] - [ -0.0186380100000000, -0.0386428300000000, -0.0051975400000000 ] - [ 0.0028540700000000, 0.0069082400000000, -0.0005887600000000 ] - [ 0.0235905500000000, 0.0095839800000000, 0.0201618800000000 ] - [ -0.0026237700000000, -0.0064059100000000, -0.0010831000000000 ] - [ -0.0024944500000000, -0.0104939000000000, 0.0006684300000000 ] - [ -0.0141611800000000, 0.3192706000000000, -0.0175163700000000 ] - [ -0.0022561200000000, 0.0008765500000000, -0.0007163000000000 ] - [ -0.0036383000000000, -0.0010797900000000, 0.0004324600000000 ] - [ 0.0008639600000000, -0.0031807500000000, 0.0000022100000000 ] - [ 0.0005388500000000, -0.0021564400000000, -0.0000357800000000 ] - [ 0.0016083500000000, -0.0030793600000000, -0.0002721100000000 ] - [ 0.0012719200000000, -0.0030580000000000, -0.0003869500000000 ] - [ -0.0001111000000000, -0.0032808600000000, 0.0000644500000000 ] - [ -0.0005820900000000, -0.0024735100000000, -0.0001016200000000 ] - [ 0.0000994900000000, -0.0037809000000000, -0.0000423500000000 ] - [ -0.0001683200000000, 0.0051703000000000, 0.0005984000000000 ] - [ 0.0001102800000000, -0.0033429800000000, 0.0003184600000000 ] - [ -0.0052145700000000, 0.0043017400000000, -0.0001832700000000 ] - [ 0.0011594100000000, -0.0049363200000000, 0.0003679900000000 ] - [ 0.0011169700000000, -0.0046646900000000, -0.0005404600000000 ] - [ 0.0000193100000000, -0.0036165500000000, -0.0001689300000000 ] - [ 0.0053138100000000, -0.0038335900000000, -0.0006801300000000 ] - [ -0.0000631400000000, -0.0031042000000000, 0.0000962200000000 ] - [ 0.0014358900000000, 0.0072877200000000, 0.0003478900000000 ] - [ -0.0002078400000000, 0.0088027800000000, -0.0181260200000000 ] - [ 0.0077100700000000, -0.1209960600000000, 0.0436705900000000 ] - [ -0.0015198400000000, -0.0565285900000000, -0.0054551700000000 ] - [ 0.0033292300000000, 0.0030034700000000, 0.0012431400000000 ] - [ 0.0003569900000000, 0.0032389300000000, 0.0002797200000000 ] - [ 0.0002132900000000, 0.0013321100000000, -0.0000148900000000 ] - [ 0.0009536900000000, 0.0022271900000000, -0.0001720700000000 ] - [ -0.0103540300000000, -0.0051666900000000, -0.0056320300000000 ] - [ -0.0005815600000000, 0.0036953000000000, -0.0000183000000000 ] - [ -0.0005010600000000, 0.0028421300000000, -0.0000634200000000 ] - [ 0.0003891300000000, 0.0019481400000000, 0.0000646000000000 ] - [ 0.0011441500000000, -0.0027737100000000, -0.0008533100000000 ] - [ -0.0003500500000000, 0.0021215500000000, 0.0000795000000000 ] - [ -0.0020213200000000, 0.0029376100000000, -0.0002846100000000 ] - [ 0.0003790600000000, 0.0030302800000000, 0.0000332200000000 ] - [ -0.0023778800000000, 0.0045515600000000, 0.0002263700000000 ] - [ 0.0009256600000000, 0.0032894100000000, 0.0001081200000000 ] - [ -0.0023911800000000, -0.0007201900000000, 0.0000329100000000 ] - [ 0.0020619300000000, -0.0041281600000000, 0.0003288700000000 ] - [ 0.0025153900000000, -0.0015256400000000, 0.0008183200000000 ] - [ -0.0034571000000000, -0.0048375100000000, -0.0001587600000000 ] - [ -0.0008603800000000, 0.0026234900000000, 0.0003235200000000 ] - [ 0.0006298200000000, 0.0015143500000000, -0.0003207900000000 ] - [ 0.0002582700000000, 0.0009948200000000, -0.0003025200000000 ] - [ -0.0006437200000000, 0.0023713500000000, 0.0000813700000000 ] - [ 0.0011971200000000, 0.0027062300000000, 0.0002366500000000 ] - [ -0.0015914100000000, -0.0005356000000000, 0.0005328400000000 ] - [ 0.0008466100000000, -0.0001118000000000, 0.0003292200000000 ] - [ -0.0001121800000000, 0.0024394000000000, -0.0001815900000000 ] - [ 0.0130562600000000, 0.0030573000000000, 0.0006842700000000 ] - [ 0.0008454000000000, 0.0025159100000000, 0.0000937000000000 ] - [ -0.0004642300000000, 0.0027409500000000, -0.0000116400000000 ] - [ -0.0050646800000000, -0.0041548800000000, 0.0003894800000000 ] - [ -0.0002489100000000, -0.0057259800000000, -0.0006500500000000 ] - [ 0.0025291500000000, 0.0009582700000000, 0.0001940400000000 ] - [ -0.0001032600000000, 0.0016830400000000, 0.0001171500000000 ] - [ 0.0001201200000000, 0.0032723600000000, 0.0001825300000000 ] - [ 0.0109592700000000, -0.0007658200000000, -0.0012012900000000 ] - [ -0.0008006100000000, -0.0065390500000000, 0.0005639700000000 ] - [ -0.0004312200000000, 0.0022919200000000, 0.0004363900000000 ] - [ -0.0388801700000000, -0.0754872000000000, -0.0204468600000000 ] - [ 0.0003628100000000, 0.0023050500000000, 0.0000955600000000 ] - [ -0.0013353000000000, 0.0025265800000000, -0.0001221400000000 ] - [ 0.0023636400000000, 0.0089215900000000, -0.0013257900000000 ] - [ -0.0000348300000000, 0.0021137200000000, -0.0002517400000000 ] - [ 0.0425045000000000, -0.0412260400000000, 0.0008746900000000 ] - [ 0.0004600900000000, 0.0030750300000000, -0.0000043600000000 ] - [ -0.0004317000000000, 0.0025382800000000, 0.0000060700000000 ] - [ -0.0000432000000000, 0.0032026000000000, -0.0002386600000000 ] - [ -0.0013802100000000, 0.0089869100000000, -0.0006346200000000 ] - [ 0.0003755800000000, 0.0025731800000000, 0.0000510100000000 ] - [ 0.0014091900000000, 0.0061647400000000, 0.0004241300000000 ] - [ 0.0009487600000000, 0.0034595000000000, 0.0000476700000000 ] - [ -0.0038326300000000, 0.0004199500000000, 0.0001416400000000 ] - [ -0.0063074600000000, -0.0008880400000000, 0.0041300000000000 ] - [ 0.0024220100000000, 0.0016376400000000, 0.0000940100000000 ] - [ 0.0038022500000000, 0.0029720800000000, -0.0001966100000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0003322900000000, -0.0009386800000000, 0.0001588600000000 ] - [ -0.0002876000000000, -0.0005793700000000, -0.0002142200000000 ] - [ -0.0000119300000000, -0.0000303000000000, -0.0001562500000000 ] - [ 0.0001013400000000, -0.0001570000000000, -0.0001277400000000 ] - [ 0.0004550300000000, 0.0002756400000000, -0.0001647100000000 ] - [ -0.0000925000000000, 0.0004570700000000, -0.0000027000000000 ] - [ 0.0008013500000000, 0.0027805700000000, 0.0048263800000000 ] - [ -0.0040939400000000, -0.0025261700000000, 0.0040724000000000 ] - [ 0.0003249500000000, -0.0000656400000000, -0.0000046900000000 ] - [ 0.0076495800000000, -0.0036508800000000, 0.0024173400000000 ] - [ 0.0002556700000000, -0.0000714200000000, 0.0000230700000000 ] - [ -0.0000289400000000, 0.0003797000000000, 0.0015704500000000 ] - [ -0.0054418600000000, 0.0029349400000000, 0.0008559100000000 ] - [ -0.0013772800000000, 0.0012271400000000, -0.0017335600000000 ] - [ 0.0001245900000000, -0.0001499200000000, 0.0001024100000000 ] - [ 0.0001972500000000, -0.0001769400000000, -0.0000863100000000 ] - [ 0.0061851800000000, 0.0051376200000000, -0.0136971700000000 ] - [ -0.0000574000000000, 0.0001556800000000, -0.0000026100000000 ] - [ 0.0001395400000000, -0.0000216000000000, 0.0001035700000000 ] - [ 0.0005197700000000, -0.0000814700000000, -0.0002818700000000 ] - [ 0.0002029200000000, -0.0000274500000000, -0.0000965700000000 ] - [ -0.0016594600000000, 0.0007088700000000, 0.0001207500000000 ] - [ 0.0010376000000000, -0.0007997100000000, -0.0004900200000000 ] - [ -0.0061895900000000, -0.0078384600000000, -0.0151650900000000 ] - [ 0.0009915700000000, 0.0003143900000000, 0.0002139600000000 ] - [ 0.0021858500000000, 0.0211842600000000, 0.0472422500000000 ] - [ 0.0002251800000000, -0.0014432500000000, 0.0036985200000000 ] - [ -0.0005349200000000, 0.0015563800000000, 0.0041395800000000 ] - [ 0.0002797500000000, 0.0203149100000000, -0.3196113900000000 ] - [ 0.0000901000000000, 0.0001361100000000, -0.0000513500000000 ] - [ 0.0002901200000000, -0.0000531900000000, 0.0000421900000000 ] - [ 0.0000131600000000, -0.0002939800000000, 0.0000748100000000 ] - [ 0.0002402900000000, -0.0003758600000000, -0.0000585600000000 ] - [ -0.0001126600000000, -0.0004866500000000, -0.0002004600000000 ] - [ 0.0003458800000000, 0.0000238700000000, -0.0003659300000000 ] - [ 0.0002538400000000, 0.0000193600000000, 0.0002070900000000 ] - [ -0.0004362400000000, -0.0001683000000000, -0.0001621800000000 ] - [ -0.0000423400000000, -0.0004387800000000, 0.0000230700000000 ] - [ -0.0011006400000000, 0.0003525800000000, -0.0000671700000000 ] - [ 0.0001551400000000, -0.0002748300000000, 0.0001764200000000 ] - [ 0.0018675000000000, -0.0008934500000000, 0.0000316500000000 ] - [ -0.0017933400000000, 0.0010595900000000, -0.0013360700000000 ] - [ 0.0003576800000000, -0.0001471000000000, 0.0004139300000000 ] - [ -0.0003171600000000, 0.0001925000000000, 0.0004424200000000 ] - [ 0.0021453900000000, -0.0000602800000000, -0.0016359400000000 ] - [ -0.0001294200000000, -0.0003666000000000, 0.0000052400000000 ] - [ -0.0006211200000000, 0.0003029500000000, 0.0000132900000000 ] - [ -0.0004732300000000, -0.0211181800000000, 0.0578860000000000 ] - [ 0.0078303300000000, -0.0516287700000000, 0.0538050200000000 ] - [ -0.0388950300000000, 0.0074877200000000, 0.1087995000000000 ] - [ 0.0022206100000000, 0.0075644900000000, 0.0006382100000000 ] - [ 0.0001702700000000, 0.0002627500000000, 0.0002388300000000 ] - [ 0.0002543200000000, -0.0000755800000000, -0.0000131600000000 ] - [ -0.0000060700000000, 0.0001371600000000, 0.0000056500000000 ] - [ 0.0028082300000000, -0.0072141900000000, -0.0072431100000000 ] - [ 0.0000953700000000, 0.0008445800000000, -0.0001464200000000 ] - [ 0.0002545900000000, 0.0001612800000000, -0.0000036700000000 ] - [ -0.0000109900000000, -0.0000154400000000, 0.0000365500000000 ] - [ -0.0009369600000000, 0.0006040200000000, 0.0006713700000000 ] - [ 0.0000073700000000, 0.0000801500000000, 0.0000757100000000 ] - [ -0.0006055500000000, 0.0001987900000000, 0.0000035000000000 ] - [ 0.0001765200000000, 0.0001232200000000, 0.0000084900000000 ] - [ 0.0000002900000000, -0.0008141100000000, -0.0002279300000000 ] - [ -0.0000034700000000, 0.0000222200000000, -0.0000892700000000 ] - [ 0.0012609100000000, -0.0002353300000000, 0.0002343500000000 ] - [ 0.0005126100000000, -0.0006139000000000, 0.0001677800000000 ] - [ 0.0005620000000000, -0.0004265000000000, 0.0004311700000000 ] - [ 0.0003909600000000, -0.0002010000000000, 0.0001174300000000 ] - [ 0.0002615100000000, -0.0000505500000000, 0.0000473400000000 ] - [ 0.0004025200000000, -0.0003428100000000, -0.0002053400000000 ] - [ -0.0004669600000000, 0.0002343800000000, -0.0002911900000000 ] - [ -0.0001451100000000, 0.0003955600000000, 0.0000269800000000 ] - [ 0.0002322900000000, 0.0000846800000000, 0.0003157000000000 ] - [ -0.0013621700000000, 0.0014717000000000, -0.0007018500000000 ] - [ -0.0013297700000000, -0.0001134900000000, -0.0000639900000000 ] - [ 0.0003189900000000, 0.0001746500000000, -0.0000957900000000 ] - [ 0.0043402700000000, 0.0022887900000000, 0.0015678000000000 ] - [ 0.0001627600000000, 0.0001531200000000, 0.0000824800000000 ] - [ 0.0004994100000000, 0.0005596100000000, -0.0002495900000000 ] - [ -0.0010536100000000, -0.0002384800000000, 0.0029175000000000 ] - [ -0.0003643900000000, 0.0001813700000000, -0.0004200600000000 ] - [ -0.0000911300000000, 0.0003406000000000, -0.0004973800000000 ] - [ -0.0000496700000000, 0.0004398600000000, 0.0000679800000000 ] - [ 0.0000812400000000, -0.0001043100000000, 0.0002272900000000 ] - [ -0.0067059900000000, -0.0007383200000000, 0.0013453200000000 ] - [ 0.0000232400000000, -0.0005349500000000, 0.0001665900000000 ] - [ 0.0001891400000000, 0.0001251300000000, 0.0003312700000000 ] - [ 0.0226731000000000, 0.0267238000000000, 0.0436179700000000 ] - [ 0.0001484000000000, -0.0001391900000000, 0.0000910900000000 ] - [ 0.0009507100000000, 0.0000793400000000, 0.0000365900000000 ] - [ -0.0014780300000000, -0.0075559200000000, 0.0004163700000000 ] - [ 0.0003674100000000, 0.0003018700000000, 0.0001024100000000 ] - [ 0.0077924200000000, -0.0020828900000000, 0.0280979900000000 ] - [ 0.0002335800000000, -0.0000410900000000, -0.0001130000000000 ] - [ 0.0000033100000000, 0.0002120400000000, 0.0000325900000000 ] - [ 0.0002560300000000, 0.0003100000000000, -0.0001296400000000 ] - [ -0.0008545100000000, 0.0065595300000000, -0.0004047000000000 ] - [ -0.0000145200000000, 0.0003386400000000, 0.0001229100000000 ] - [ -0.0012208900000000, -0.0052180800000000, 0.0000737900000000 ] - [ 0.0005055400000000, -0.0007695600000000, -0.0000733800000000 ] - [ -0.0008537900000000, -0.0004795800000000, 0.0001221300000000 ] - [ -0.0019103700000000, 0.0051380800000000, -0.0064092600000000 ] - [ 0.0005491400000000, 0.0002109800000000, -0.0002311300000000 ] - [ -0.0004787900000000, -0.0004546800000000, -0.0005827600000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0003295700000000, 0.0007881300000000, -0.0001807200000000 ] - [ 0.0002861500000000, 0.0004459400000000, 0.0001925800000000 ] - [ 0.0001698000000000, 0.0001758900000000, -0.0000958900000000 ] - [ 0.0000570500000000, 0.0000096500000000, -0.0001240900000000 ] - [ -0.0004515300000000, -0.0001438700000000, 0.0001437600000000 ] - [ 0.0000910300000000, -0.0003275300000000, -0.0000168800000000 ] - [ -0.0008920000000000, -0.0025931400000000, -0.0050700700000000 ] - [ 0.0039228300000000, 0.0023611000000000, -0.0042856200000000 ] - [ 0.0000973400000000, 0.0001598700000000, -0.0001618100000000 ] - [ -0.0080000700000000, 0.0035476900000000, -0.0026751300000000 ] - [ 0.0000383800000000, 0.0001624200000000, 0.0001819500000000 ] - [ -0.0002677900000000, -0.0002901600000000, -0.0013564400000000 ] - [ 0.0051855800000000, -0.0030233100000000, -0.0005485900000000 ] - [ 0.0009464400000000, -0.0011273200000000, 0.0015567500000000 ] - [ 0.0001687700000000, 0.0000574200000000, 0.0001026800000000 ] - [ 0.0002243600000000, 0.0000809300000000, -0.0000803500000000 ] - [ -0.0059029300000000, -0.0056227100000000, 0.0135236800000000 ] - [ -0.0000862600000000, 0.0002910600000000, 0.0000762100000000 ] - [ 0.0000698300000000, 0.0000712000000000, 0.0000008600000000 ] - [ 0.0000785300000000, -0.0001746000000000, 0.0000766500000000 ] - [ 0.0003942900000000, 0.0002819600000000, -0.0001071300000000 ] - [ 0.0018618500000000, -0.0001640100000000, -0.0001715600000000 ] - [ -0.0012672600000000, 0.0008143100000000, 0.0004108300000000 ] - [ 0.0059663700000000, 0.0076627100000000, 0.0151811000000000 ] - [ -0.0008370700000000, 0.0001392500000000, -0.0001411600000000 ] - [ -0.0022249000000000, -0.0213177400000000, -0.0469207000000000 ] - [ 0.0003479900000000, 0.0013251300000000, -0.0037798600000000 ] - [ 0.0001398100000000, -0.0017350200000000, -0.0044795400000000 ] - [ 0.0056085000000000, -0.0221782000000000, 0.3126364000000000 ] - [ -0.0004822800000000, 0.0000754300000000, -0.0003281100000000 ] - [ 0.0002932400000000, 0.0001611300000000, -0.0001534600000000 ] - [ 0.0001980500000000, 0.0002394400000000, 0.0000298400000000 ] - [ 0.0000005200000000, 0.0003578000000000, -0.0000213700000000 ] - [ 0.0005078000000000, 0.0002787000000000, -0.0001792500000000 ] - [ 0.0000475000000000, 0.0001803100000000, -0.0000141900000000 ] - [ 0.0001338700000000, 0.0001918500000000, 0.0000959500000000 ] - [ -0.0001439000000000, 0.0000543600000000, 0.0000495600000000 ] - [ -0.0001001000000000, -0.0000113400000000, 0.0000508800000000 ] - [ 0.0004971800000000, -0.0006114300000000, -0.0001340300000000 ] - [ 0.0002329500000000, 0.0000608900000000, 0.0001263000000000 ] - [ -0.0020693500000000, 0.0009486700000000, 0.0000747000000000 ] - [ 0.0011983600000000, -0.0009399800000000, 0.0012144700000000 ] - [ -0.0001200300000000, 0.0001638400000000, -0.0004890800000000 ] - [ 0.0001031200000000, 0.0003589100000000, -0.0004882000000000 ] - [ -0.0023692600000000, 0.0000437600000000, 0.0015425300000000 ] - [ -0.0000807700000000, -0.0001870400000000, -0.0000547700000000 ] - [ 0.0002270900000000, -0.0000903100000000, 0.0002888900000000 ] - [ -0.0004141800000000, 0.0209041700000000, -0.0579106700000000 ] - [ -0.0084661100000000, 0.0541057700000000, -0.0547448100000000 ] - [ 0.0352944000000000, -0.0068439800000000, -0.1001078100000000 ] - [ -0.0027897000000000, -0.0073603800000000, -0.0008502300000000 ] - [ 0.0001177000000000, -0.0000590800000000, 0.0002396000000000 ] - [ 0.0002570400000000, -0.0000230900000000, -0.0000858900000000 ] - [ -0.0001095300000000, 0.0000331400000000, -0.0000550400000000 ] - [ -0.0028666700000000, 0.0069352700000000, 0.0072431000000000 ] - [ -0.0002061600000000, -0.0010076900000000, 0.0000958300000000 ] - [ 0.0001624800000000, -0.0002130000000000, 0.0000034900000000 ] - [ 0.0000794100000000, -0.0002341500000000, 0.0000365100000000 ] - [ 0.0005121200000000, -0.0005526500000000, -0.0006662100000000 ] - [ 0.0001915400000000, -0.0001340100000000, 0.0000929500000000 ] - [ 0.0007178800000000, -0.0002676700000000, -0.0002043800000000 ] - [ 0.0002413700000000, -0.0000681600000000, -0.0000082000000000 ] - [ -0.0001142900000000, 0.0008758200000000, 0.0000256900000000 ] - [ 0.0000405200000000, -0.0002770100000000, 0.0001584100000000 ] - [ -0.0014596200000000, 0.0009498600000000, -0.0000678300000000 ] - [ -0.0008790800000000, 0.0005369000000000, 0.0004631900000000 ] - [ -0.0011599800000000, 0.0002872400000000, -0.0005941700000000 ] - [ -0.0005892200000000, 0.0001487000000000, 0.0000511600000000 ] - [ 0.0003116400000000, 0.0000317600000000, 0.0000783300000000 ] - [ 0.0003474000000000, -0.0003843800000000, -0.0001683100000000 ] - [ 0.0003482400000000, -0.0003075000000000, 0.0000910700000000 ] - [ 0.0001809500000000, -0.0001383700000000, 0.0000432400000000 ] - [ 0.0001394200000000, -0.0001618300000000, 0.0003170900000000 ] - [ 0.0013299100000000, -0.0017695300000000, 0.0007735900000000 ] - [ 0.0007541400000000, 0.0000917800000000, 0.0001877900000000 ] - [ 0.0002812000000000, -0.0000309200000000, -0.0000690400000000 ] - [ -0.0050881700000000, -0.0015475600000000, -0.0019349400000000 ] - [ 0.0000363800000000, -0.0000967700000000, 0.0000860900000000 ] - [ 0.0002513900000000, 0.0001722000000000, -0.0001237300000000 ] - [ 0.0009557100000000, 0.0004671400000000, -0.0028403200000000 ] - [ -0.0001376600000000, -0.0004137300000000, 0.0001671800000000 ] - [ -0.0004154000000000, -0.0004392900000000, 0.0003940300000000 ] - [ 0.0001644500000000, -0.0003694300000000, -0.0002725000000000 ] - [ 0.0002065500000000, -0.0000974500000000, 0.0002511900000000 ] - [ 0.0059273900000000, 0.0000069500000000, -0.0017007200000000 ] - [ -0.0003095900000000, 0.0003299400000000, 0.0003147900000000 ] - [ 0.0001810200000000, -0.0000453000000000, 0.0003014700000000 ] - [ -0.0241569500000000, -0.0278748900000000, -0.0433269600000000 ] - [ 0.0000586700000000, -0.0005738900000000, 0.0000746700000000 ] - [ -0.0004342400000000, 0.0000216600000000, -0.0001363400000000 ] - [ 0.0010460800000000, 0.0074094300000000, -0.0004605200000000 ] - [ 0.0002014700000000, -0.0002801000000000, 0.0000247400000000 ] - [ -0.0093742600000000, 0.0025754200000000, -0.0279881600000000 ] - [ 0.0002675000000000, -0.0001888800000000, -0.0001368300000000 ] - [ 0.0000659000000000, 0.0000395900000000, 0.0000401900000000 ] - [ 0.0002443900000000, -0.0000766400000000, -0.0001200700000000 ] - [ 0.0002758100000000, -0.0064874100000000, 0.0005341900000000 ] - [ 0.0002210200000000, 0.0003758500000000, 0.0000428800000000 ] - [ 0.0013334700000000, 0.0053422200000000, -0.0001216100000000 ] - [ 0.0000970900000000, 0.0006214500000000, -0.0000913900000000 ] - [ 0.0008156000000000, 0.0007334300000000, -0.0000524400000000 ] - [ 0.0016568200000000, -0.0057947600000000, 0.0065486800000000 ] - [ -0.0004322700000000, -0.0003764900000000, 0.0001803200000000 ] - [ -0.0000396700000000, 0.0005482500000000, 0.0004791300000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0008399200000000, 0.0002292500000000, -0.0000922900000000 ] - [ 0.0010589900000000, -0.0019980000000000, -0.0000201600000000 ] - [ 0.0002327700000000, -0.0001717200000000, -0.0001185200000000 ] - [ -0.0001093100000000, -0.0002738700000000, -0.0001334100000000 ] - [ -0.0005093300000000, -0.0004340200000000, 0.0000629900000000 ] - [ -0.0014334000000000, 0.0012622300000000, 0.0001010500000000 ] - [ -0.0040452400000000, 0.0016210900000000, 0.0037260400000000 ] - [ -0.0030325900000000, -0.0034199900000000, -0.0003651400000000 ] - [ 0.0000442000000000, -0.0000417700000000, -0.0001241600000000 ] - [ -0.0008632300000000, 0.0024811200000000, -0.0037642700000000 ] - [ -0.0000143600000000, -0.0000439900000000, 0.0001455500000000 ] - [ -0.0068167600000000, 0.0036726600000000, 0.0028821900000000 ] - [ -0.0010227200000000, 0.0037006100000000, 0.0044021300000000 ] - [ -0.0050292500000000, 0.0034051100000000, -0.0025246400000000 ] - [ 0.0004225600000000, -0.0001518900000000, 0.0000005700000000 ] - [ 0.0004926900000000, -0.0001439300000000, 0.0000167800000000 ] - [ -0.0034135200000000, -0.0030091600000000, 0.0018303900000000 ] - [ 0.0000660700000000, 0.0000556700000000, 0.0000767200000000 ] - [ -0.0003403600000000, 0.0000897400000000, 0.0000764500000000 ] - [ 0.0000688500000000, -0.0004811800000000, -0.0000678200000000 ] - [ 0.0004437400000000, -0.0003332200000000, -0.0001242000000000 ] - [ -0.0094952300000000, 0.0003556200000000, 0.0002438800000000 ] - [ -0.0019412200000000, 0.0009721600000000, 0.0002607300000000 ] - [ 0.0466165700000000, 0.0426179200000000, 0.0255869500000000 ] - [ -0.0033031600000000, 0.0004052800000000, -0.0001727500000000 ] - [ 0.0502818900000000, 0.0025715100000000, 0.0453591100000000 ] - [ -0.0005205700000000, -0.0013695400000000, -0.0005063700000000 ] - [ 0.0025119400000000, -0.0015160400000000, -0.0009295000000000 ] - [ 0.0339296200000000, -0.0080176200000000, 0.0081367100000000 ] - [ -0.0015156400000000, 0.0000083500000000, -0.0002019300000000 ] - [ 0.0001740300000000, -0.0018042900000000, 0.0007732500000000 ] - [ 0.0004492200000000, -0.0001307700000000, 0.0000372200000000 ] - [ -0.0000758000000000, 0.0001894700000000, 0.0001279200000000 ] - [ 0.0007532100000000, 0.0000870800000000, -0.0002366000000000 ] - [ -0.0005546100000000, 0.0007122800000000, -0.0001420200000000 ] - [ 0.0000390700000000, -0.0001055000000000, 0.0001683900000000 ] - [ -0.0020867800000000, -0.0015868400000000, -0.0006636300000000 ] - [ -0.0001546200000000, -0.0005126800000000, -0.0000068100000000 ] - [ -0.0058075500000000, 0.0000157400000000, -0.0000112100000000 ] - [ 0.0003665700000000, -0.0004019400000000, 0.0001455700000000 ] - [ -0.0024704900000000, -0.0000938300000000, 0.0000965100000000 ] - [ 0.0009731300000000, -0.0010509500000000, 0.0002155900000000 ] - [ 0.0005899700000000, 0.0004402500000000, -0.0004286600000000 ] - [ 0.0002015500000000, -0.0003352000000000, -0.0000555500000000 ] - [ 0.0039904500000000, 0.0032571500000000, -0.0003149700000000 ] - [ -0.0005977700000000, -0.0010942500000000, -0.0000043700000000 ] - [ -0.0056658000000000, 0.0001158900000000, 0.0000391900000000 ] - [ 0.0046852300000000, -0.0040551900000000, -0.0032012600000000 ] - [ -0.1461308900000000, -0.0407436800000000, -0.1201296400000000 ] - [ -0.0078941900000000, 0.0053566600000000, 0.0029043500000000 ] - [ -0.0001367600000000, 0.0015829300000000, -0.0002314400000000 ] - [ 0.0001337500000000, 0.0004601700000000, 0.0002155000000000 ] - [ 0.0018642600000000, -0.0000939700000000, -0.0000086100000000 ] - [ 0.0005576600000000, 0.0011521600000000, -0.0002228800000000 ] - [ 0.0180527400000000, -0.0062537200000000, 0.0183703700000000 ] - [ -0.0004016200000000, 0.0007490800000000, -0.0000013300000000 ] - [ 0.0000431200000000, 0.0000841500000000, -0.0000263000000000 ] - [ 0.0001896400000000, 0.0000216800000000, 0.0000496500000000 ] - [ 0.0014602900000000, -0.0001757200000000, -0.0003164200000000 ] - [ 0.0002130100000000, 0.0000722500000000, 0.0000775700000000 ] - [ -0.0004792100000000, -0.0010395700000000, 0.0004617900000000 ] - [ 0.0003944900000000, 0.0000081200000000, 0.0000391600000000 ] - [ -0.0017746700000000, 0.0001312300000000, -0.0004019900000000 ] - [ -0.0004256900000000, -0.0002557700000000, 0.0000969400000000 ] - [ 0.0062798100000000, -0.0015064600000000, -0.0001294500000000 ] - [ 0.0044741400000000, -0.0013824000000000, -0.0000031000000000 ] - [ 0.0034509300000000, 0.0002031600000000, 0.0018419700000000 ] - [ 0.0053128800000000, 0.0005734700000000, 0.0008878700000000 ] - [ 0.0004447600000000, -0.0002930500000000, 0.0001173000000000 ] - [ 0.0009479500000000, -0.0002018900000000, -0.0002230900000000 ] - [ 0.0007842500000000, -0.0001586800000000, 0.0002180200000000 ] - [ 0.0002369500000000, 0.0000934400000000, 0.0000183600000000 ] - [ 0.0002877000000000, 0.0002584600000000, 0.0002942600000000 ] - [ 0.0025758500000000, -0.0040562400000000, 0.0000057600000000 ] - [ 0.0010493100000000, 0.0001476700000000, -0.0001026100000000 ] - [ 0.0004836900000000, 0.0008118600000000, -0.0000872600000000 ] - [ 0.0176898700000000, 0.0139718900000000, 0.0052554600000000 ] - [ -0.0000456100000000, 0.0001532200000000, 0.0000895000000000 ] - [ -0.0000313700000000, 0.0005750700000000, -0.0001576100000000 ] - [ 0.0024448500000000, -0.0013824400000000, 0.0001607000000000 ] - [ 0.0017951000000000, -0.0000138600000000, 0.0004667400000000 ] - [ 0.0008383400000000, 0.0002067300000000, 0.0000189600000000 ] - [ 0.0002444900000000, -0.0005728700000000, -0.0004748400000000 ] - [ 0.0001672000000000, 0.0001657500000000, 0.0002458300000000 ] - [ 0.0017680000000000, 0.0004213200000000, -0.0004815200000000 ] - [ 0.0030032000000000, -0.0002240400000000, -0.0004709800000000 ] - [ 0.0001075200000000, 0.0004040800000000, 0.0003618600000000 ] - [ -0.0004203100000000, 0.0132646400000000, -0.0003677100000000 ] - [ -0.0000714600000000, 0.0001892400000000, 0.0001272800000000 ] - [ -0.0006325400000000, 0.0001493800000000, -0.0000407800000000 ] - [ -0.0075303800000000, 0.0021720800000000, -0.0014824300000000 ] - [ 0.0001243800000000, -0.0000677000000000, 0.0000207500000000 ] - [ 0.0079921800000000, -0.0210182300000000, 0.0112332600000000 ] - [ 0.0003287100000000, -0.0000006700000000, -0.0001335500000000 ] - [ -0.0001932100000000, 0.0002561700000000, 0.0000260400000000 ] - [ 0.0001632100000000, 0.0003360100000000, -0.0001163700000000 ] - [ -0.0059649300000000, -0.0028070500000000, 0.0010907800000000 ] - [ 0.0002819600000000, 0.0006193300000000, 0.0000646600000000 ] - [ 0.0004529000000000, 0.0025126400000000, 0.0000730300000000 ] - [ 0.0001900100000000, 0.0005749600000000, -0.0000668700000000 ] - [ 0.0002434400000000, -0.0041837000000000, 0.0000857700000000 ] - [ -0.0042220800000000, -0.0008126200000000, 0.0011537200000000 ] - [ 0.0027435300000000, 0.0028096700000000, -0.0007511400000000 ] - [ -0.0018740700000000, 0.0010668400000000, 0.0000530700000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0008385000000000, -0.0003639100000000, 0.0000717900000000 ] - [ -0.0010524100000000, 0.0018614000000000, 0.0000010000000000 ] - [ -0.0000735600000000, 0.0003152800000000, -0.0001333000000000 ] - [ 0.0002674000000000, 0.0001237600000000, -0.0001184500000000 ] - [ 0.0005075100000000, 0.0005612600000000, -0.0000826600000000 ] - [ 0.0014306700000000, -0.0011393000000000, -0.0001209000000000 ] - [ 0.0040073900000000, -0.0014444400000000, -0.0040265300000000 ] - [ 0.0028656100000000, 0.0032972100000000, 0.0001179700000000 ] - [ 0.0003770800000000, 0.0001349100000000, -0.0000426400000000 ] - [ 0.0004569000000000, -0.0025930700000000, 0.0036161000000000 ] - [ 0.0003074200000000, 0.0001338800000000, 0.0000598700000000 ] - [ 0.0065429300000000, -0.0035944300000000, -0.0026765000000000 ] - [ 0.0007428600000000, -0.0037998900000000, -0.0042035300000000 ] - [ 0.0046026100000000, -0.0033074400000000, 0.0023374500000000 ] - [ -0.0001284600000000, 0.0000585100000000, 0.0002044100000000 ] - [ -0.0000704600000000, 0.0000471600000000, -0.0001831500000000 ] - [ 0.0035971400000000, 0.0024374300000000, -0.0018729500000000 ] - [ -0.0002105700000000, 0.0003879400000000, -0.0000027700000000 ] - [ 0.0005473200000000, -0.0000430100000000, 0.0000277300000000 ] - [ 0.0005270000000000, 0.0002210700000000, -0.0001357400000000 ] - [ 0.0001559600000000, 0.0005848100000000, -0.0000796100000000 ] - [ 0.0097082800000000, 0.0002020600000000, -0.0002899400000000 ] - [ 0.0017107300000000, -0.0009574300000000, -0.0003415900000000 ] - [ -0.0469315400000000, -0.0415763200000000, -0.0249038000000000 ] - [ 0.0034515400000000, 0.0000600300000000, 0.0002446800000000 ] - [ -0.0501322600000000, -0.0028641700000000, -0.0467344800000000 ] - [ 0.0010926400000000, 0.0012491700000000, 0.0003952200000000 ] - [ -0.0028968100000000, 0.0013491500000000, 0.0005492100000000 ] - [ -0.0344654500000000, 0.0083896000000000, -0.0081571500000000 ] - [ 0.0011194000000000, 0.0002017700000000, -0.0001778100000000 ] - [ 0.0004172900000000, 0.0019036800000000, -0.0008829100000000 ] - [ -0.0002380800000000, 0.0000759000000000, 0.0000670200000000 ] - [ 0.0003138900000000, -0.0002096500000000, -0.0002082200000000 ] - [ -0.0003585200000000, -0.0002964800000000, -0.0001422300000000 ] - [ 0.0009421600000000, -0.0005118900000000, -0.0002353400000000 ] - [ 0.0003483700000000, 0.0003140700000000, 0.0001340200000000 ] - [ 0.0015049000000000, 0.0014662700000000, 0.0005485100000000 ] - [ 0.0000110200000000, 0.0000602200000000, 0.0000806900000000 ] - [ 0.0052040200000000, -0.0002680900000000, -0.0001899500000000 ] - [ 0.0000232000000000, 0.0001856100000000, 0.0001569600000000 ] - [ 0.0022520800000000, 0.0001553700000000, 0.0000072500000000 ] - [ -0.0015496100000000, 0.0011565900000000, -0.0003269600000000 ] - [ -0.0003566600000000, -0.0004200900000000, 0.0003509300000000 ] - [ -0.0004120700000000, 0.0008824400000000, 0.0000060100000000 ] - [ -0.0042591100000000, -0.0032786700000000, 0.0002412900000000 ] - [ 0.0003867400000000, 0.0005362300000000, -0.0000447700000000 ] - [ 0.0052797100000000, 0.0001111500000000, 0.0002656000000000 ] - [ -0.0052708100000000, 0.0042650100000000, 0.0029928500000000 ] - [ 0.1457058200000000, 0.0390927900000000, 0.1212466300000000 ] - [ 0.0076589000000000, -0.0051183200000000, -0.0024509800000000 ] - [ -0.0004548500000000, -0.0014245300000000, 0.0000669100000000 ] - [ 0.0001536300000000, -0.0002543500000000, 0.0002630600000000 ] - [ -0.0013492300000000, 0.0000000400000000, -0.0000900100000000 ] - [ -0.0006742000000000, -0.0009769800000000, 0.0001726300000000 ] - [ -0.0183597900000000, 0.0060646000000000, -0.0185386600000000 ] - [ 0.0002855200000000, -0.0009117000000000, -0.0000486500000000 ] - [ 0.0003730300000000, -0.0001341300000000, 0.0000258600000000 ] - [ -0.0001200200000000, -0.0002696700000000, 0.0000237600000000 ] - [ -0.0018747400000000, 0.0002213500000000, 0.0003149100000000 ] - [ -0.0000145700000000, -0.0001248200000000, 0.0000910100000000 ] - [ 0.0006019700000000, 0.0009699200000000, -0.0006658700000000 ] - [ 0.0000245300000000, 0.0000488300000000, -0.0000390300000000 ] - [ 0.0016656900000000, -0.0000682300000000, 0.0002014800000000 ] - [ 0.0004621700000000, 0.0000002000000000, -0.0000271900000000 ] - [ -0.0064903900000000, 0.0022274400000000, 0.0002969500000000 ] - [ -0.0048414600000000, 0.0012993700000000, 0.0006368000000000 ] - [ -0.0040444700000000, -0.0003392300000000, -0.0020008800000000 ] - [ -0.0055222800000000, -0.0006359400000000, -0.0007262200000000 ] - [ 0.0001307500000000, 0.0002760500000000, 0.0000090900000000 ] - [ -0.0001967100000000, -0.0005228200000000, -0.0001509900000000 ] - [ -0.0009020000000000, 0.0000873600000000, -0.0004194200000000 ] - [ -0.0002013800000000, 0.0001656700000000, 0.0000524600000000 ] - [ 0.0000846700000000, -0.0003333600000000, 0.0003382300000000 ] - [ -0.0026158600000000, 0.0038008200000000, 0.0000650500000000 ] - [ -0.0016209200000000, -0.0001693500000000, 0.0002283800000000 ] - [ 0.0001152200000000, -0.0006637700000000, -0.0000775500000000 ] - [ -0.0182522100000000, -0.0130186600000000, -0.0055462800000000 ] - [ 0.0002436700000000, -0.0000954500000000, 0.0000791200000000 ] - [ 0.0007787100000000, 0.0001559200000000, -0.0002153100000000 ] - [ -0.0025248900000000, 0.0016190900000000, -0.0000876300000000 ] - [ -0.0022959300000000, -0.0002305100000000, -0.0007175900000000 ] - [ -0.0013438000000000, -0.0003047700000000, -0.0001186700000000 ] - [ -0.0001289300000000, 0.0006464900000000, 0.0002742900000000 ] - [ 0.0001208300000000, -0.0003635100000000, 0.0002328500000000 ] - [ -0.0025001600000000, -0.0011529600000000, 0.0001084600000000 ] - [ -0.0032854800000000, 0.0000081200000000, 0.0009498300000000 ] - [ 0.0002615700000000, -0.0003218200000000, 0.0002708600000000 ] - [ 0.0000747700000000, -0.0132290200000000, 0.0009841800000000 ] - [ 0.0002772800000000, -0.0009021300000000, 0.0000388100000000 ] - [ 0.0011412000000000, -0.0000478300000000, -0.0000589200000000 ] - [ 0.0070697600000000, -0.0022668100000000, 0.0014791000000000 ] - [ 0.0004474500000000, 0.0000891700000000, 0.0001048800000000 ] - [ -0.0081247200000000, 0.0208694100000000, -0.0109977100000000 ] - [ 0.0001729500000000, -0.0002264000000000, -0.0001162000000000 ] - [ 0.0002621100000000, -0.0000032000000000, 0.0000470800000000 ] - [ 0.0003367700000000, -0.0001012000000000, -0.0001332800000000 ] - [ 0.0053892500000000, 0.0028234700000000, -0.0009614500000000 ] - [ -0.0000744800000000, 0.0000985500000000, 0.0001010300000000 ] - [ -0.0003362900000000, -0.0023383500000000, -0.0001230200000000 ] - [ 0.0004111300000000, -0.0007125300000000, -0.0000977000000000 ] - [ -0.0002808100000000, 0.0044647000000000, -0.0000164300000000 ] - [ 0.0040007600000000, 0.0001053400000000, -0.0009825000000000 ] - [ -0.0026175500000000, -0.0029607400000000, 0.0006928800000000 ] - [ 0.0013411000000000, -0.0009722700000000, -0.0001511400000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005716700000000, -0.0035426900000000, -0.0001947400000000 ] - [ -0.0024108700000000, -0.0042417300000000, -0.0007392700000000 ] - [ 0.0000368100000000, -0.0028640300000000, -0.0001551200000000 ] - [ 0.0001813100000000, -0.0025205300000000, -0.0000961000000000 ] - [ -0.0006313200000000, -0.0020856200000000, 0.0001317200000000 ] - [ 0.0004868900000000, 0.0002479900000000, 0.0001033000000000 ] - [ -0.0015978700000000, 0.0135344700000000, 0.0011073800000000 ] - [ -0.0044669500000000, 0.0041468400000000, -0.0009314600000000 ] - [ 0.0003347300000000, -0.0017419600000000, 0.0000962200000000 ] - [ 0.0037391200000000, -0.0026552100000000, 0.0030716000000000 ] - [ 0.0002672500000000, -0.0017278600000000, -0.0000529500000000 ] - [ 0.0018263300000000, 0.0036839100000000, 0.0009307000000000 ] - [ 0.0047730000000000, -0.0032999500000000, -0.0035197300000000 ] - [ 0.0010479800000000, 0.0029477600000000, -0.0008451600000000 ] - [ -0.0002405500000000, -0.0024237300000000, 0.0005183400000000 ] - [ -0.0001115500000000, -0.0024695600000000, -0.0005094200000000 ] - [ -0.0099768200000000, -0.0069976900000000, 0.0042524600000000 ] - [ 0.0001505400000000, -0.0033736100000000, 0.0001307100000000 ] - [ 0.0003666900000000, -0.0030319800000000, 0.0001144600000000 ] - [ -0.0002673500000000, -0.0033785600000000, -0.0001328600000000 ] - [ -0.0004333900000000, -0.0028196200000000, 0.0000494900000000 ] - [ -0.0081361100000000, 0.0021712000000000, 0.0006529600000000 ] - [ 0.0019789200000000, -0.0026427900000000, -0.0003435900000000 ] - [ 0.0372688800000000, 0.1196811600000000, 0.0475575700000000 ] - [ 0.0034849500000000, 0.0055956300000000, -0.0006201100000000 ] - [ 0.0020458100000000, 0.0518066900000000, -0.0088255400000000 ] - [ -0.0017547000000000, -0.0040662500000000, -0.0008860400000000 ] - [ -0.0042440900000000, -0.0057553000000000, 0.0091744000000000 ] - [ -0.0026878300000000, 0.1210860900000000, -0.0504443800000000 ] - [ -0.0011542100000000, 0.0003246700000000, -0.0005601400000000 ] - [ -0.0042335100000000, -0.0002365500000000, 0.0003631400000000 ] - [ 0.0006334300000000, -0.0031305900000000, 0.0000271700000000 ] - [ 0.0005627100000000, -0.0024121300000000, -0.0001533900000000 ] - [ 0.0008928600000000, -0.0031932600000000, -0.0002245600000000 ] - [ 0.0019784700000000, -0.0027812400000000, -0.0008736500000000 ] - [ 0.0000022500000000, -0.0030850500000000, 0.0000778500000000 ] - [ -0.0006577900000000, -0.0019024400000000, -0.0000619300000000 ] - [ 0.0000718700000000, -0.0036524900000000, -0.0000439300000000 ] - [ -0.0013163700000000, 0.0051451300000000, 0.0004287100000000 ] - [ -0.0000618400000000, -0.0031927900000000, 0.0003450200000000 ] - [ -0.0029780700000000, 0.0026272900000000, -0.0001917500000000 ] - [ 0.0009879000000000, -0.0040562600000000, 0.0003844500000000 ] - [ 0.0018846800000000, -0.0051142300000000, 0.0003618400000000 ] - [ -0.0000673500000000, -0.0031901900000000, -0.0001833800000000 ] - [ 0.0132312100000000, -0.0021249200000000, -0.0050890200000000 ] - [ -0.0000850100000000, -0.0026900200000000, 0.0001248100000000 ] - [ -0.0004386800000000, 0.0057100200000000, -0.0001486300000000 ] - [ 0.0014091000000000, -0.0073932500000000, -0.0070165400000000 ] - [ -0.0423876800000000, -0.3465792300000000, 0.0252828200000000 ] - [ 0.0028246600000000, -0.0001878300000000, 0.0090119500000000 ] - [ 0.0025983100000000, 0.0038155800000000, 0.0001662100000000 ] - [ 0.0004422000000000, 0.0030894100000000, 0.0002801600000000 ] - [ -0.0001436400000000, 0.0008204800000000, 0.0000355900000000 ] - [ 0.0010372800000000, 0.0017206200000000, -0.0000828700000000 ] - [ -0.0031743100000000, -0.0125241400000000, -0.0021779700000000 ] - [ -0.0005052900000000, 0.0032676500000000, -0.0000753100000000 ] - [ -0.0003266400000000, 0.0027643300000000, -0.0000561000000000 ] - [ 0.0003690200000000, 0.0018736800000000, 0.0000629900000000 ] - [ 0.0002619500000000, -0.0016973200000000, -0.0003089100000000 ] - [ -0.0004156100000000, 0.0020360700000000, 0.0000760000000000 ] - [ -0.0041395400000000, 0.0032234000000000, 0.0002810900000000 ] - [ 0.0001848500000000, 0.0029481400000000, 0.0000380600000000 ] - [ -0.0028068900000000, 0.0030308800000000, 0.0000422500000000 ] - [ 0.0008085400000000, 0.0034353100000000, -0.0001403100000000 ] - [ 0.0001413300000000, -0.0019465600000000, 0.0000552800000000 ] - [ 0.0028584500000000, -0.0043621200000000, 0.0000607100000000 ] - [ 0.0033841300000000, -0.0026288300000000, 0.0015002800000000 ] - [ -0.0008962700000000, -0.0043037300000000, -0.0001062300000000 ] - [ -0.0010986400000000, 0.0023361800000000, 0.0002255900000000 ] - [ 0.0005320300000000, 0.0012437100000000, -0.0003330800000000 ] - [ -0.0003088000000000, 0.0012593200000000, -0.0006264300000000 ] - [ -0.0007789600000000, 0.0024433900000000, 0.0000984700000000 ] - [ 0.0010970600000000, 0.0024959300000000, 0.0002435900000000 ] - [ -0.0037399700000000, 0.0044087100000000, 0.0002203300000000 ] - [ -0.0001458500000000, 0.0000857600000000, 0.0003114200000000 ] - [ 0.0000808900000000, 0.0020841100000000, -0.0001960000000000 ] - [ 0.0173410600000000, 0.0018306900000000, 0.0028461600000000 ] - [ 0.0009396500000000, 0.0025025100000000, 0.0000939300000000 ] - [ -0.0002784500000000, 0.0025885500000000, -0.0000190100000000 ] - [ -0.0049117500000000, -0.0030029300000000, -0.0002207400000000 ] - [ -0.0003557500000000, -0.0042592600000000, -0.0006988000000000 ] - [ 0.0013832900000000, 0.0007845100000000, 0.0001762900000000 ] - [ -0.0001366400000000, 0.0023183500000000, 0.0005490000000000 ] - [ 0.0000732200000000, 0.0031078600000000, 0.0001683800000000 ] - [ 0.0052731200000000, -0.0008136200000000, -0.0001820300000000 ] - [ -0.0006311400000000, -0.0054996700000000, 0.0004329200000000 ] - [ -0.0002487800000000, 0.0020583700000000, 0.0004566200000000 ] - [ 0.0091787500000000, 0.0230211700000000, -0.0013901000000000 ] - [ 0.0005169800000000, 0.0024524400000000, 0.0000992300000000 ] - [ -0.0006980100000000, 0.0021744200000000, -0.0001073400000000 ] - [ 0.0026236500000000, -0.0004853700000000, -0.0090456200000000 ] - [ 0.0002140500000000, 0.0021765000000000, -0.0002027200000000 ] - [ -0.0180565500000000, 0.0125182300000000, -0.0136741400000000 ] - [ 0.0003614900000000, 0.0028587100000000, 0.0000138800000000 ] - [ -0.0004891800000000, 0.0025131500000000, -0.0000110300000000 ] - [ 0.0000308300000000, 0.0030960100000000, -0.0002581600000000 ] - [ -0.0015954300000000, 0.0307370100000000, -0.0007547400000000 ] - [ 0.0002630000000000, 0.0024262200000000, 0.0000629100000000 ] - [ 0.0013054600000000, 0.0058488000000000, 0.0000179900000000 ] - [ 0.0008957600000000, 0.0031995200000000, 0.0000313700000000 ] - [ -0.0050793200000000, -0.0028694300000000, 0.0009886200000000 ] - [ -0.0032803900000000, 0.0029022800000000, 0.0007055800000000 ] - [ 0.0025937900000000, 0.0008980800000000, 0.0000279300000000 ] - [ 0.0047515600000000, 0.0018492500000000, -0.0011568300000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005754600000000, 0.0034166900000000, 0.0001755100000000 ] - [ 0.0023989000000000, 0.0041077500000000, 0.0007142400000000 ] - [ 0.0001211500000000, 0.0030130500000000, -0.0000959900000000 ] - [ -0.0000234600000000, 0.0023778300000000, -0.0001550000000000 ] - [ 0.0006349300000000, 0.0022161800000000, -0.0001515700000000 ] - [ -0.0004875000000000, -0.0001040700000000, -0.0001226300000000 ] - [ 0.0014744600000000, -0.0133961600000000, -0.0013753900000000 ] - [ 0.0043152900000000, -0.0043322600000000, 0.0006908100000000 ] - [ 0.0000867300000000, 0.0018376800000000, -0.0002638100000000 ] - [ -0.0041537900000000, 0.0025634100000000, -0.0032258000000000 ] - [ 0.0000259500000000, 0.0018200500000000, 0.0002590400000000 ] - [ -0.0021570500000000, -0.0035638700000000, -0.0006896400000000 ] - [ -0.0050770500000000, 0.0032126100000000, 0.0037284500000000 ] - [ -0.0014946600000000, -0.0028233700000000, 0.0006455100000000 ] - [ 0.0005331300000000, 0.0023331400000000, -0.0003118000000000 ] - [ 0.0005326200000000, 0.0023748300000000, 0.0003414900000000 ] - [ 0.0102078900000000, 0.0064580200000000, -0.0043316900000000 ] - [ -0.0002928600000000, 0.0038247700000000, -0.0000570600000000 ] - [ -0.0001582000000000, 0.0030857900000000, -0.0000098000000000 ] - [ 0.0008673000000000, 0.0031252800000000, -0.0000713100000000 ] - [ 0.0010280100000000, 0.0030793700000000, -0.0002530900000000 ] - [ 0.0083637400000000, -0.0016215200000000, -0.0007019700000000 ] - [ -0.0022162300000000, 0.0026590700000000, 0.0002631800000000 ] - [ -0.0342643600000000, -0.1148267600000000, -0.0437909600000000 ] - [ -0.0033479700000000, -0.0051653900000000, 0.0006960800000000 ] - [ -0.0015666600000000, -0.0524731800000000, 0.0096142600000000 ] - [ 0.0023398900000000, 0.0039613900000000, 0.0007808800000000 ] - [ 0.0038468100000000, 0.0055930600000000, -0.0095003200000000 ] - [ 0.0028748100000000, -0.1276192700000000, 0.0553572600000000 ] - [ 0.0007670400000000, -0.0001252600000000, 0.0001823800000000 ] - [ 0.0048025400000000, 0.0003569900000000, -0.0004768900000000 ] - [ -0.0004278500000000, 0.0030820700000000, 0.0000772900000000 ] - [ -0.0003263200000000, 0.0023942500000000, 0.0000733900000000 ] - [ -0.0005040400000000, 0.0029896500000000, -0.0001538500000000 ] - [ -0.0015811700000000, 0.0029915700000000, 0.0004915700000000 ] - [ 0.0003857000000000, 0.0032999500000000, 0.0002251900000000 ] - [ 0.0000793700000000, 0.0017983800000000, -0.0000485600000000 ] - [ -0.0002161400000000, 0.0032077100000000, 0.0001181900000000 ] - [ 0.0006996500000000, -0.0054091700000000, -0.0006340000000000 ] - [ 0.0004473900000000, 0.0029844000000000, -0.0000422100000000 ] - [ 0.0027829100000000, -0.0025904000000000, 0.0002962500000000 ] - [ -0.0015707000000000, 0.0041755100000000, -0.0004991900000000 ] - [ -0.0016353300000000, 0.0051260300000000, -0.0004337300000000 ] - [ -0.0001398100000000, 0.0037459900000000, 0.0001340600000000 ] - [ -0.0134126000000000, 0.0021358700000000, 0.0049817100000000 ] - [ -0.0001220600000000, 0.0021439000000000, -0.0001748800000000 ] - [ 0.0000302000000000, -0.0055158900000000, 0.0004469500000000 ] - [ -0.0020167100000000, 0.0076284600000000, 0.0068915500000000 ] - [ 0.0374879800000000, 0.3484339800000000, -0.0350479800000000 ] - [ -0.0031338200000000, 0.0004327800000000, -0.0085131500000000 ] - [ -0.0032037600000000, -0.0036680100000000, -0.0003335500000000 ] - [ -0.0001540600000000, -0.0028903000000000, 0.0001979700000000 ] - [ 0.0006519800000000, -0.0009295100000000, -0.0001340100000000 ] - [ -0.0011505300000000, -0.0015564400000000, 0.0000340300000000 ] - [ 0.0032357500000000, 0.0122335600000000, 0.0023866500000000 ] - [ 0.0003908400000000, -0.0034408700000000, 0.0000254100000000 ] - [ 0.0007441000000000, -0.0028187400000000, 0.0000550900000000 ] - [ -0.0002956900000000, -0.0021248900000000, 0.0000105000000000 ] - [ -0.0006807500000000, 0.0017591000000000, 0.0003104500000000 ] - [ 0.0006089100000000, -0.0020915200000000, 0.0000926300000000 ] - [ 0.0042324500000000, -0.0032941800000000, -0.0004787400000000 ] - [ 0.0002296800000000, -0.0028980300000000, -0.0000386600000000 ] - [ 0.0026830400000000, -0.0029690300000000, -0.0002484200000000 ] - [ -0.0007673800000000, -0.0036886200000000, 0.0002088200000000 ] - [ -0.0003079600000000, 0.0026458100000000, 0.0001101400000000 ] - [ -0.0032187600000000, 0.0042841200000000, 0.0005688600000000 ] - [ -0.0039745200000000, 0.0024808200000000, -0.0016588500000000 ] - [ 0.0007282000000000, 0.0042592100000000, 0.0002834500000000 ] - [ 0.0016676900000000, -0.0023578500000000, -0.0001005000000000 ] - [ 0.0002157700000000, -0.0019747200000000, -0.0000411400000000 ] - [ 0.0001926800000000, -0.0013303100000000, 0.0004256300000000 ] - [ 0.0008222900000000, -0.0021889100000000, -0.0000275300000000 ] - [ -0.0007279500000000, -0.0025766800000000, 0.0003897100000000 ] - [ 0.0036950600000000, -0.0046666700000000, -0.0001504800000000 ] - [ -0.0004286500000000, -0.0001006700000000, -0.0001856100000000 ] - [ 0.0005227800000000, -0.0019470000000000, 0.0000305700000000 ] - [ -0.0180188100000000, -0.0010958600000000, -0.0031744200000000 ] - [ -0.0007459800000000, -0.0024495900000000, 0.0000747600000000 ] - [ 0.0010282800000000, -0.0018632200000000, -0.0003549100000000 ] - [ 0.0048517300000000, 0.0032638600000000, 0.0003008200000000 ] - [ -0.0001404600000000, 0.0040450400000000, 0.0004514800000000 ] - [ -0.0019013900000000, -0.0008859500000000, -0.0002765100000000 ] - [ 0.0002538200000000, -0.0022454700000000, -0.0007501100000000 ] - [ 0.0002135000000000, -0.0033131800000000, 0.0003097600000000 ] - [ -0.0060523700000000, 0.0000925300000000, -0.0001892200000000 ] - [ 0.0003477400000000, 0.0053114700000000, 0.0000434800000000 ] - [ 0.0006213600000000, -0.0019838300000000, 0.0001767200000000 ] - [ -0.0096986600000000, -0.0233219200000000, 0.0020687500000000 ] - [ -0.0003124400000000, -0.0031704100000000, 0.0000673300000000 ] - [ 0.0012135900000000, -0.0020736300000000, 0.0000082400000000 ] - [ -0.0030200500000000, 0.0003885800000000, 0.0090751800000000 ] - [ 0.0003591400000000, -0.0021594500000000, 0.0003292200000000 ] - [ 0.0180734900000000, -0.0125585500000000, 0.0139906000000000 ] - [ 0.0001371100000000, -0.0030927000000000, -0.0002631300000000 ] - [ 0.0005621800000000, -0.0022646400000000, 0.0000842400000000 ] - [ 0.0004694600000000, -0.0028678500000000, 0.0000087300000000 ] - [ 0.0009913900000000, -0.0302057000000000, 0.0008826300000000 ] - [ -0.0000610200000000, -0.0017102000000000, 0.0001035900000000 ] - [ -0.0011980200000000, -0.0057099200000000, -0.0000682800000000 ] - [ -0.0002949000000000, -0.0033474600000000, -0.0001968700000000 ] - [ 0.0050248700000000, 0.0030940600000000, -0.0009130200000000 ] - [ 0.0030850500000000, -0.0036145700000000, -0.0005498500000000 ] - [ -0.0024795100000000, -0.0010766700000000, -0.0000763500000000 ] - [ -0.0052529000000000, -0.0017553600000000, 0.0010517100000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0003282200000000, 0.0003029200000000, -0.0000435100000000 ] - [ 0.0003655700000000, -0.0004204800000000, -0.0001102600000000 ] - [ 0.0001396800000000, 0.0001742700000000, -0.0001222300000000 ] - [ 0.0000174100000000, 0.0000229600000000, -0.0001316100000000 ] - [ -0.0001464700000000, -0.0000260500000000, 0.0000064700000000 ] - [ -0.0002522400000000, 0.0007110700000000, -0.0000470100000000 ] - [ 0.0045072400000000, -0.0010194100000000, -0.0011877100000000 ] - [ -0.0005685700000000, -0.0020143700000000, 0.0001073400000000 ] - [ 0.0001322400000000, 0.0001344200000000, -0.0001151100000000 ] - [ -0.0009571300000000, 0.0004461200000000, -0.0037422000000000 ] - [ 0.0000724000000000, 0.0001303000000000, 0.0001343600000000 ] - [ -0.0015882300000000, 0.0015737400000000, 0.0035646700000000 ] - [ -0.0011393200000000, 0.0007867300000000, 0.0039103400000000 ] - [ -0.0008642400000000, 0.0018625400000000, -0.0034455400000000 ] - [ 0.0002480600000000, 0.0000462800000000, 0.0000620900000000 ] - [ 0.0003090500000000, 0.0000495100000000, -0.0000410400000000 ] - [ 0.0001483600000000, -0.0004893200000000, 0.0000532500000000 ] - [ -0.0000249000000000, 0.0003779600000000, 0.0000439500000000 ] - [ 0.0000028300000000, 0.0002271400000000, 0.0000579000000000 ] - [ 0.0002567300000000, -0.0000557900000000, -0.0000922600000000 ] - [ 0.0003366800000000, 0.0001814400000000, -0.0001307200000000 ] - [ -0.0023349800000000, 0.0009807700000000, -0.0009589900000000 ] - [ -0.0013209700000000, 0.0005601900000000, 0.0001889400000000 ] - [ 0.0228359700000000, 0.0370589200000000, 0.0481462000000000 ] - [ -0.0010942800000000, -0.0006162500000000, 0.0001442400000000 ] - [ 0.0491246300000000, -0.0074099800000000, 0.1086007300000000 ] - [ 0.0001751400000000, -0.0003087300000000, -0.0000950300000000 ] - [ 0.0009258400000000, -0.0021267000000000, 0.0016298500000000 ] - [ 0.0127764600000000, -0.0471473700000000, 0.0547187200000000 ] - [ -0.0006569000000000, -0.0002539900000000, -0.0001193700000000 ] - [ -0.0002198400000000, 0.0003438800000000, 0.0003747500000000 ] - [ 0.0002110700000000, 0.0001587900000000, 0.0000527200000000 ] - [ -0.0000270000000000, 0.0002231000000000, 0.0000810100000000 ] - [ 0.0003861600000000, 0.0002355800000000, -0.0002115300000000 ] - [ -0.0000546000000000, 0.0003492800000000, -0.0001117800000000 ] - [ 0.0001525800000000, 0.0002269600000000, 0.0001633600000000 ] - [ -0.0006689300000000, -0.0002522400000000, -0.0003391600000000 ] - [ -0.0001194800000000, -0.0000815800000000, 0.0000241100000000 ] - [ -0.0018088500000000, -0.0004892000000000, -0.0000031900000000 ] - [ 0.0002344400000000, 0.0000078600000000, 0.0001467900000000 ] - [ -0.0006283500000000, -0.0005271500000000, 0.0000245100000000 ] - [ 0.0001440000000000, -0.0000806800000000, -0.0000075800000000 ] - [ 0.0002105500000000, 0.0003854400000000, -0.0001601300000000 ] - [ 0.0000230600000000, 0.0002551500000000, -0.0000123100000000 ] - [ -0.0002327900000000, 0.0000018500000000, 0.0003412000000000 ] - [ -0.0002429200000000, -0.0003094300000000, 0.0000118400000000 ] - [ -0.0016324700000000, -0.0004215800000000, -0.0001401600000000 ] - [ 0.0005024900000000, -0.0007963800000000, 0.0016384900000000 ] - [ -0.1191670200000000, 0.0302641700000000, -0.2963536500000000 ] - [ 0.0022355800000000, -0.0037776900000000, 0.0325132000000000 ] - [ -0.0005103100000000, 0.0006628100000000, -0.0003043000000000 ] - [ 0.0001361400000000, 0.0000162300000000, 0.0002316000000000 ] - [ 0.0006619500000000, -0.0000893700000000, -0.0000468600000000 ] - [ 0.0001743600000000, 0.0000736800000000, -0.0001186200000000 ] - [ 0.0120866400000000, -0.0024767700000000, 0.0090286400000000 ] - [ -0.0001872900000000, 0.0000706500000000, -0.0000071900000000 ] - [ 0.0001808600000000, -0.0001941900000000, -0.0000074700000000 ] - [ 0.0000763300000000, -0.0002093300000000, 0.0000403800000000 ] - [ 0.0002445500000000, 0.0004268700000000, -0.0000117100000000 ] - [ 0.0001738300000000, -0.0001283900000000, 0.0000830300000000 ] - [ 0.0003057400000000, -0.0004490800000000, -0.0001126100000000 ] - [ 0.0002448800000000, -0.0001494200000000, 0.0000042300000000 ] - [ -0.0003212300000000, -0.0001403100000000, -0.0002675000000000 ] - [ -0.0001460900000000, -0.0003380600000000, 0.0000517600000000 ] - [ 0.0026455700000000, -0.0009528400000000, -0.0000417900000000 ] - [ 0.0008585100000000, -0.0002527700000000, -0.0000762700000000 ] - [ 0.0002993000000000, -0.0006425800000000, 0.0002538700000000 ] - [ 0.0010948000000000, 0.0002450500000000, 0.0006738100000000 ] - [ 0.0003564300000000, -0.0002319300000000, 0.0000907500000000 ] - [ 0.0005121500000000, -0.0004447300000000, -0.0001886400000000 ] - [ 0.0004616200000000, -0.0001119000000000, 0.0001548500000000 ] - [ 0.0001811800000000, -0.0000501100000000, 0.0000144900000000 ] - [ 0.0001629100000000, -0.0000827800000000, 0.0003118300000000 ] - [ 0.0022810500000000, -0.0030234200000000, 0.0000681200000000 ] - [ 0.0003195500000000, 0.0002064900000000, -0.0000752000000000 ] - [ 0.0003569400000000, 0.0001418000000000, -0.0000698300000000 ] - [ 0.0043129500000000, 0.0043102500000000, -0.0012340400000000 ] - [ 0.0000197900000000, -0.0000725600000000, 0.0000855700000000 ] - [ 0.0002492900000000, 0.0002969800000000, -0.0001877800000000 ] - [ 0.0009700400000000, 0.0008164100000000, -0.0000314900000000 ] - [ 0.0003389300000000, 0.0004607800000000, -0.0000071900000000 ] - [ 0.0000212600000000, 0.0000738600000000, -0.0000618900000000 ] - [ 0.0002089500000000, -0.0004549000000000, -0.0003949500000000 ] - [ 0.0001535400000000, -0.0002019000000000, 0.0002462200000000 ] - [ -0.0002339500000000, 0.0000003100000000, -0.0002774900000000 ] - [ 0.0002346200000000, 0.0005944900000000, 0.0002226400000000 ] - [ 0.0002196600000000, -0.0000183600000000, 0.0003215900000000 ] - [ -0.0000936400000000, 0.0032673400000000, 0.0005932600000000 ] - [ 0.0000449100000000, -0.0003417800000000, 0.0000931700000000 ] - [ -0.0000580000000000, -0.0000771500000000, -0.0000398700000000 ] - [ 0.0018992600000000, 0.0059751100000000, 0.0420244400000000 ] - [ 0.0002240800000000, -0.0001798400000000, 0.0000648200000000 ] - [ 0.0077102100000000, -0.0133079400000000, 0.0000469000000000 ] - [ 0.0002590500000000, -0.0002533400000000, -0.0001337400000000 ] - [ -0.0000138900000000, 0.0000330800000000, 0.0000364300000000 ] - [ 0.0002422600000000, -0.0000181300000000, -0.0001162900000000 ] - [ -0.0003386700000000, -0.0035845600000000, 0.0003439700000000 ] - [ 0.0001605900000000, 0.0003337900000000, 0.0000773200000000 ] - [ 0.0000098600000000, 0.0006284800000000, -0.0000167300000000 ] - [ 0.0002075200000000, -0.0000405200000000, -0.0000848200000000 ] - [ -0.0008315400000000, -0.0002154400000000, 0.0002413700000000 ] - [ -0.0008105700000000, -0.0007084600000000, -0.0000585400000000 ] - [ 0.0011556700000000, 0.0007506100000000, -0.0001488800000000 ] - [ 0.0000355100000000, 0.0006028300000000, -0.0003023500000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0003318700000000, -0.0004320300000000, 0.0000233400000000 ] - [ -0.0003705700000000, 0.0002964700000000, 0.0000939400000000 ] - [ 0.0000188700000000, -0.0000280200000000, -0.0001295000000000 ] - [ 0.0001414800000000, -0.0001686000000000, -0.0001199700000000 ] - [ 0.0001480600000000, 0.0001551300000000, -0.0000259000000000 ] - [ 0.0002562500000000, -0.0005815700000000, 0.0000266800000000 ] - [ -0.0046895300000000, 0.0011773000000000, 0.0008463200000000 ] - [ 0.0004331200000000, 0.0018727800000000, -0.0003645900000000 ] - [ 0.0002899800000000, -0.0000396200000000, -0.0000513600000000 ] - [ 0.0005319400000000, -0.0005508500000000, 0.0036013000000000 ] - [ 0.0002215700000000, -0.0000387300000000, 0.0000709200000000 ] - [ 0.0012912100000000, -0.0014796600000000, -0.0033651100000000 ] - [ 0.0008526500000000, -0.0009072900000000, -0.0037403100000000 ] - [ 0.0004508700000000, -0.0017592700000000, 0.0032792100000000 ] - [ 0.0000446400000000, -0.0001394800000000, 0.0001441800000000 ] - [ 0.0001119700000000, -0.0001453300000000, -0.0001262200000000 ] - [ 0.0000564800000000, -0.0000620800000000, -0.0000713800000000 ] - [ -0.0001182100000000, 0.0000692900000000, 0.0000303700000000 ] - [ 0.0002088600000000, -0.0001780900000000, 0.0000451700000000 ] - [ 0.0003408700000000, -0.0002000900000000, -0.0001107800000000 ] - [ 0.0002592400000000, 0.0000752700000000, -0.0000723800000000 ] - [ 0.0025894400000000, -0.0004354400000000, 0.0009005100000000 ] - [ 0.0010928900000000, -0.0005476300000000, -0.0002695100000000 ] - [ -0.0223959200000000, -0.0356556200000000, -0.0478948700000000 ] - [ 0.0012472900000000, 0.0010652000000000, -0.0000714600000000 ] - [ -0.0530127900000000, 0.0076108600000000, -0.1164586000000000 ] - [ 0.0004088200000000, 0.0002055600000000, -0.0000247400000000 ] - [ -0.0013347400000000, 0.0018378600000000, -0.0020714200000000 ] - [ -0.0131028400000000, 0.0448189600000000, -0.0538308800000000 ] - [ 0.0002694800000000, 0.0004590100000000, -0.0002599700000000 ] - [ 0.0007814700000000, -0.0002228300000000, -0.0004900600000000 ] - [ -0.0000018200000000, -0.0002106700000000, 0.0000516800000000 ] - [ 0.0002647300000000, -0.0002429500000000, -0.0001618600000000 ] - [ 0.0000049100000000, -0.0004433600000000, -0.0001666500000000 ] - [ 0.0004516300000000, -0.0001439300000000, -0.0002644900000000 ] - [ 0.0002362100000000, -0.0000145600000000, 0.0001389500000000 ] - [ 0.0000943300000000, 0.0001465100000000, 0.0002318600000000 ] - [ -0.0000238400000000, -0.0003664500000000, 0.0000503800000000 ] - [ 0.0012175100000000, 0.0002274300000000, -0.0002030800000000 ] - [ 0.0001529200000000, -0.0002201800000000, 0.0001558300000000 ] - [ 0.0004252000000000, 0.0005776300000000, 0.0000799600000000 ] - [ -0.0007248200000000, 0.0001934600000000, -0.0001014300000000 ] - [ 0.0000289200000000, -0.0003766900000000, 0.0000693600000000 ] - [ -0.0002348400000000, 0.0002989900000000, -0.0000383500000000 ] - [ -0.0000022900000000, -0.0000241200000000, -0.0003918600000000 ] - [ 0.0000329300000000, -0.0002409500000000, -0.0000618100000000 ] - [ 0.0012503700000000, 0.0006314100000000, 0.0004464700000000 ] - [ -0.0011218500000000, 0.0011334600000000, -0.0018993800000000 ] - [ 0.1222855600000000, -0.0300679500000000, 0.3037787400000000 ] - [ -0.0026909200000000, 0.0035926300000000, -0.0321302300000000 ] - [ -0.0000997300000000, -0.0005512200000000, 0.0001441800000000 ] - [ 0.0001523000000000, 0.0001851900000000, 0.0002472500000000 ] - [ -0.0001554100000000, -0.0000100800000000, -0.0000534200000000 ] - [ -0.0002878900000000, 0.0000921400000000, 0.0000687100000000 ] - [ -0.0122301100000000, 0.0022336800000000, -0.0088823700000000 ] - [ 0.0000729500000000, -0.0002446100000000, -0.0000421200000000 ] - [ 0.0002374900000000, 0.0001409300000000, 0.0000077700000000 ] - [ -0.0000080300000000, -0.0000407300000000, 0.0000327500000000 ] - [ -0.0006671300000000, -0.0003724200000000, 0.0000118000000000 ] - [ 0.0000258600000000, 0.0000743500000000, 0.0000857100000000 ] - [ -0.0001873300000000, 0.0003768900000000, -0.0000893800000000 ] - [ 0.0001722700000000, 0.0002035900000000, -0.0000039100000000 ] - [ 0.0001895100000000, 0.0002450700000000, 0.0000700400000000 ] - [ 0.0001837500000000, 0.0000858200000000, 0.0000216200000000 ] - [ -0.0028637500000000, 0.0016694400000000, 0.0002070600000000 ] - [ -0.0012372700000000, 0.0001779200000000, 0.0007124100000000 ] - [ -0.0009102000000000, 0.0005022200000000, -0.0004328800000000 ] - [ -0.0012968100000000, -0.0002980800000000, -0.0005009300000000 ] - [ 0.0002117400000000, 0.0002168600000000, 0.0000356900000000 ] - [ 0.0002354200000000, -0.0002836800000000, -0.0001841900000000 ] - [ -0.0005813400000000, 0.0000414700000000, -0.0003574100000000 ] - [ -0.0001462000000000, 0.0003073600000000, 0.0000563000000000 ] - [ 0.0002074600000000, 0.0000037300000000, 0.0003208800000000 ] - [ -0.0023278500000000, 0.0027841800000000, 0.0000051600000000 ] - [ -0.0008966100000000, -0.0002251600000000, 0.0002028100000000 ] - [ 0.0002435500000000, -0.0000020100000000, -0.0000943400000000 ] - [ -0.0051703700000000, -0.0036438700000000, 0.0007804900000000 ] - [ 0.0001811900000000, 0.0001280700000000, 0.0000830800000000 ] - [ 0.0005011500000000, 0.0004306400000000, -0.0001845700000000 ] - [ -0.0010468000000000, -0.0005670500000000, 0.0000998800000000 ] - [ -0.0008454400000000, -0.0006900500000000, -0.0002427300000000 ] - [ -0.0005377800000000, -0.0001727300000000, -0.0000367000000000 ] - [ -0.0000924500000000, 0.0005304700000000, 0.0001956500000000 ] - [ 0.0001344100000000, 0.0000003600000000, 0.0002325000000000 ] - [ -0.0005172600000000, -0.0007296200000000, -0.0000968500000000 ] - [ -0.0005230800000000, -0.0007969800000000, 0.0002556100000000 ] - [ 0.0001514500000000, 0.0000962900000000, 0.0003109500000000 ] - [ -0.0002501900000000, -0.0031433400000000, 0.0000495000000000 ] - [ 0.0001641500000000, -0.0003732900000000, 0.0000723300000000 ] - [ 0.0005708700000000, 0.0001755100000000, -0.0000597500000000 ] - [ -0.0022549500000000, -0.0055526900000000, -0.0420652800000000 ] - [ 0.0003497400000000, 0.0001998700000000, 0.0000615400000000 ] - [ -0.0079282300000000, 0.0133867600000000, -0.0000787800000000 ] - [ 0.0002417800000000, 0.0000232100000000, -0.0001158800000000 ] - [ 0.0000826100000000, 0.0002179800000000, 0.0000366900000000 ] - [ 0.0002592300000000, 0.0002493100000000, -0.0001335600000000 ] - [ -0.0002371900000000, 0.0035382100000000, -0.0001908000000000 ] - [ 0.0000468100000000, 0.0003803700000000, 0.0000882500000000 ] - [ 0.0001073800000000, -0.0004563800000000, -0.0000339500000000 ] - [ 0.0003926100000000, -0.0001014500000000, -0.0000796500000000 ] - [ 0.0007898800000000, 0.0004694700000000, -0.0001744500000000 ] - [ 0.0006260200000000, -0.0000131200000000, 0.0002228600000000 ] - [ -0.0010484700000000, -0.0009325900000000, 0.0001079600000000 ] - [ -0.0005194900000000, -0.0004873300000000, 0.0002094800000000 ]- atom: 50 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0016537800000000, 0.0023408300000000, 0.0002953600000000 ] - [ 0.0000351000000000, -0.0005688200000000, -0.0000297100000000 ] - [ 0.0003050800000000, 0.0002031200000000, -0.0001134800000000 ] - [ -0.0000516800000000, 0.0000551800000000, -0.0001322200000000 ] - [ -0.0006987600000000, -0.0007735700000000, 0.0000401900000000 ] - [ -0.0005604700000000, 0.0012379100000000, -0.0000335200000000 ] - [ -0.0057149600000000, -0.0054136900000000, -0.0012627900000000 ] - [ -0.0073095600000000, -0.0036109400000000, 0.0024882500000000 ] - [ -0.0000840000000000, 0.0001551400000000, -0.0001811100000000 ] - [ -0.0053553400000000, 0.0038379000000000, -0.0012757800000000 ] - [ -0.0001461300000000, 0.0001401700000000, 0.0001990300000000 ] - [ -0.0030312800000000, 0.0015829100000000, 0.0033918900000000 ] - [ -0.0040939300000000, 0.0032358900000000, 0.0006060200000000 ] - [ -0.0033970300000000, 0.0026192800000000, -0.0036914100000000 ] - [ 0.0002660900000000, -0.0000158400000000, 0.0001077500000000 ] - [ 0.0003409900000000, -0.0000044400000000, -0.0000844600000000 ] - [ -0.0009799100000000, -0.0044235800000000, -0.0029961800000000 ] - [ 0.0000969200000000, 0.0002846500000000, 0.0000624200000000 ] - [ -0.0000063200000000, 0.0002106900000000, 0.0000465000000000 ] - [ 0.0001315700000000, -0.0002791800000000, -0.0001468800000000 ] - [ 0.0002230500000000, 0.0002452900000000, -0.0001046200000000 ] - [ -0.0021666300000000, -0.0000177700000000, -0.0000555800000000 ] - [ -0.0043105800000000, 0.0021729200000000, 0.0005627000000000 ] - [ -0.0004122000000000, -0.0032645100000000, 0.0015069100000000 ] - [ -0.0065294900000000, -0.0010455200000000, -0.0001572900000000 ] - [ 0.0302395100000000, -0.0111999700000000, -0.0070577800000000 ] - [ -0.0017547500000000, -0.0033657000000000, 0.0015864500000000 ] - [ 0.0001269100000000, -0.0024484200000000, -0.0015060100000000 ] - [ 0.0501987400000000, 0.0013023800000000, -0.0373425600000000 ] - [ -0.0026233500000000, -0.0005935600000000, -0.0001533800000000 ] - [ -0.0004759600000000, -0.0001188700000000, 0.0000506400000000 ] - [ 0.0004899900000000, 0.0005695400000000, 0.0000054000000000 ] - [ -0.0006856900000000, 0.0005457500000000, 0.0002780200000000 ] - [ 0.0006075300000000, 0.0009032500000000, -0.0001396500000000 ] - [ 0.0001302500000000, 0.0005980400000000, -0.0001690500000000 ] - [ 0.0000209600000000, 0.0001302000000000, 0.0002146100000000 ] - [ -0.0009286900000000, -0.0001568800000000, -0.0001000600000000 ] - [ -0.0002899200000000, 0.0000899900000000, 0.0000151000000000 ] - [ -0.0034025000000000, -0.0008508300000000, -0.0002667900000000 ] - [ 0.0002066400000000, 0.0001085100000000, 0.0001255400000000 ] - [ -0.0039921200000000, -0.0007632600000000, 0.0001603500000000 ] - [ 0.0021162900000000, -0.0011344100000000, -0.0003038000000000 ] - [ 0.0006362700000000, 0.0000591500000000, -0.0004606000000000 ] - [ 0.0007355800000000, -0.0005192200000000, 0.0002950700000000 ] - [ 0.0031013300000000, 0.0014850900000000, -0.0000699600000000 ] - [ -0.0003563300000000, -0.0002665800000000, -0.0000483200000000 ] - [ -0.0043108800000000, -0.0005568200000000, 0.0003179900000000 ] - [ 0.0334186100000000, -0.0092693500000000, 0.0030755600000000 ] - [ -0.0080394800000000, 0.0030778300000000, 0.0023266900000000 ] - [ -0.1061669600000000, 0.0392746000000000, 0.0667680900000000 ] - [ -0.0006045900000000, 0.0117001400000000, -0.0019622800000000 ] - [ 0.0001874000000000, -0.0000675200000000, 0.0002336200000000 ] - [ 0.0007036600000000, -0.0003334400000000, -0.0000756200000000 ] - [ 0.0002904300000000, 0.0002015700000000, -0.0000813900000000 ] - [ 0.0095046600000000, -0.0185262900000000, -0.0092867600000000 ] - [ -0.0010392300000000, 0.0022363100000000, -0.0001082400000000 ] - [ 0.0001261800000000, -0.0004512200000000, -0.0000571700000000 ] - [ 0.0002675900000000, -0.0002476400000000, 0.0000437300000000 ] - [ 0.0028903200000000, 0.0004613300000000, -0.0003252800000000 ] - [ 0.0002920600000000, -0.0001479800000000, 0.0000783500000000 ] - [ -0.0004617300000000, -0.0006208700000000, 0.0001860000000000 ] - [ 0.0002092300000000, -0.0001513100000000, 0.0000097600000000 ] - [ -0.0015711900000000, 0.0008958200000000, -0.0001530500000000 ] - [ -0.0002208400000000, -0.0001965200000000, 0.0001097800000000 ] - [ 0.0045221100000000, -0.0007548500000000, 0.0003193800000000 ] - [ 0.0022061500000000, -0.0001788800000000, 0.0003610300000000 ] - [ 0.0013267600000000, 0.0000228000000000, 0.0002843200000000 ] - [ 0.0034561000000000, -0.0004339600000000, 0.0003053900000000 ] - [ 0.0001264500000000, -0.0001868400000000, 0.0000661000000000 ] - [ 0.0005611200000000, -0.0004842100000000, -0.0001819400000000 ] - [ 0.0017102700000000, -0.0001403100000000, 0.0004560300000000 ] - [ 0.0006133800000000, -0.0002118600000000, 0.0000019200000000 ] - [ 0.0002005700000000, 0.0002418500000000, 0.0002577800000000 ] - [ 0.0040784100000000, -0.0045578500000000, 0.0004880900000000 ] - [ 0.0022467600000000, 0.0005448100000000, -0.0002770100000000 ] - [ 0.0004924300000000, 0.0000223300000000, -0.0000781600000000 ] - [ 0.0007695700000000, 0.0021255200000000, -0.0000486800000000 ] - [ 0.0000051800000000, -0.0000789600000000, 0.0000939800000000 ] - [ -0.0004223800000000, 0.0001459800000000, -0.0001952300000000 ] - [ 0.0063144100000000, 0.0006876900000000, -0.0012042100000000 ] - [ 0.0028896700000000, 0.0003748700000000, 0.0002578500000000 ] - [ 0.0015622400000000, 0.0007024200000000, -0.0001150100000000 ] - [ 0.0007242600000000, -0.0010803400000000, -0.0006206700000000 ] - [ 0.0001487400000000, -0.0000755100000000, 0.0002589500000000 ] - [ 0.0019840300000000, 0.0014444100000000, -0.0003767100000000 ] - [ 0.0025179300000000, 0.0011259900000000, -0.0004517100000000 ] - [ 0.0002839100000000, -0.0000673200000000, 0.0003325600000000 ] - [ -0.0083571400000000, 0.0058512500000000, -0.0007309300000000 ] - [ 0.0000684700000000, -0.0002730300000000, 0.0000927600000000 ] - [ -0.0012551600000000, -0.0004393400000000, 0.0000679600000000 ] - [ -0.0024840200000000, 0.0072783400000000, 0.0013853300000000 ] - [ 0.0003939500000000, -0.0006533900000000, 0.0000110500000000 ] - [ 0.0149578900000000, -0.0086707500000000, -0.0196588100000000 ] - [ 0.0002731600000000, -0.0001856400000000, -0.0001342700000000 ] - [ -0.0001160600000000, 0.0000851900000000, 0.0000310000000000 ] - [ 0.0002395900000000, -0.0001839600000000, -0.0001163900000000 ] - [ -0.0016283500000000, 0.0010144500000000, -0.0000370600000000 ] - [ 0.0003125200000000, 0.0005837200000000, 0.0000735900000000 ] - [ -0.0004653200000000, 0.0019262200000000, 0.0002216400000000 ] - [ -0.0000807300000000, 0.0003456500000000, -0.0000555700000000 ] - [ -0.0009084000000000, -0.0023315000000000, -0.0004734600000000 ] - [ 0.0020300300000000, -0.0149753600000000, 0.0041624300000000 ] - [ 0.0007213800000000, 0.0002238400000000, -0.0000360700000000 ] - [ 0.0001998400000000, 0.0006596400000000, 0.0000077600000000 ]- atom: 50 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0016502900000000, -0.0024713100000000, -0.0003157100000000 ] - [ -0.0000329200000000, 0.0004411100000000, 0.0000097400000000 ] - [ -0.0001459300000000, -0.0000549500000000, -0.0001381900000000 ] - [ 0.0002092600000000, -0.0002003800000000, -0.0001194700000000 ] - [ 0.0006955800000000, 0.0009073900000000, -0.0000602000000000 ] - [ 0.0005591300000000, -0.0011108100000000, 0.0000135300000000 ] - [ 0.0055470700000000, 0.0055267400000000, 0.0009977700000000 ] - [ 0.0069326900000000, 0.0034435100000000, -0.0026846500000000 ] - [ 0.0005041700000000, -0.0000588600000000, 0.0000130400000000 ] - [ 0.0049403200000000, -0.0039137700000000, 0.0011056900000000 ] - [ 0.0004380000000000, -0.0000472100000000, 0.0000076000000000 ] - [ 0.0027195800000000, -0.0014942100000000, -0.0031690700000000 ] - [ 0.0038135700000000, -0.0033307100000000, -0.0004113800000000 ] - [ 0.0029658600000000, -0.0025329500000000, 0.0035157000000000 ] - [ 0.0000273400000000, -0.0000740000000000, 0.0000979100000000 ] - [ 0.0000805800000000, -0.0000888100000000, -0.0000827100000000 ] - [ 0.0011275000000000, 0.0038568200000000, 0.0029491400000000 ] - [ -0.0002415200000000, 0.0001642400000000, 0.0000114300000000 ] - [ 0.0002123000000000, -0.0001590700000000, 0.0000576500000000 ] - [ 0.0004637400000000, 0.0000232900000000, -0.0000569700000000 ] - [ 0.0003759500000000, 0.0000127700000000, -0.0000993900000000 ] - [ 0.0023863600000000, 0.0005621400000000, 0.0000054600000000 ] - [ 0.0040745500000000, -0.0021500600000000, -0.0006420400000000 ] - [ 0.0002430400000000, 0.0032486400000000, -0.0014030300000000 ] - [ 0.0066801700000000, 0.0014913200000000, 0.0002332500000000 ] - [ -0.0299278900000000, 0.0105145900000000, 0.0069760400000000 ] - [ 0.0023095000000000, 0.0032383200000000, -0.0016857700000000 ] - [ -0.0005142700000000, 0.0022679200000000, 0.0011362600000000 ] - [ -0.0507428700000000, -0.0016122800000000, 0.0367768800000000 ] - [ 0.0022256300000000, 0.0008133100000000, -0.0002271200000000 ] - [ 0.0010618600000000, 0.0002262300000000, -0.0001637800000000 ] - [ -0.0002801700000000, -0.0006175000000000, 0.0000985700000000 ] - [ 0.0009226000000000, -0.0005590300000000, -0.0003583000000000 ] - [ -0.0002124300000000, -0.0011054700000000, -0.0002391100000000 ] - [ 0.0002588700000000, -0.0003921700000000, -0.0002094000000000 ] - [ 0.0003647800000000, 0.0000828400000000, 0.0000883700000000 ] - [ 0.0003510100000000, 0.0000445800000000, -0.0000121900000000 ] - [ 0.0001457000000000, -0.0005355400000000, 0.0000591100000000 ] - [ 0.0028018500000000, 0.0005810900000000, 0.0000627300000000 ] - [ 0.0001813300000000, -0.0003184700000000, 0.0001768600000000 ] - [ 0.0037836400000000, 0.0008253400000000, -0.0000543300000000 ] - [ -0.0026866900000000, 0.0012424600000000, 0.0001907500000000 ] - [ -0.0004023000000000, -0.0000365200000000, 0.0003827900000000 ] - [ -0.0009416500000000, 0.0010680900000000, -0.0003434100000000 ] - [ -0.0033515500000000, -0.0015027300000000, -0.0000102400000000 ] - [ 0.0001480800000000, -0.0002841400000000, -0.0000019000000000 ] - [ 0.0039267700000000, 0.0007585500000000, -0.0000156200000000 ] - [ -0.0340964600000000, 0.0098051700000000, -0.0035343000000000 ] - [ 0.0075128600000000, -0.0028800500000000, -0.0026000700000000 ] - [ 0.1060122300000000, -0.0389312700000000, -0.0649028700000000 ] - [ 0.0000254600000000, -0.0115528600000000, 0.0017867300000000 ] - [ 0.0000993800000000, 0.0002676000000000, 0.0002444600000000 ] - [ -0.0001920800000000, 0.0002330900000000, -0.0000236800000000 ] - [ -0.0004071900000000, -0.0000315800000000, 0.0000317400000000 ] - [ -0.0096511100000000, 0.0184459800000000, 0.0094229100000000 ] - [ 0.0009225700000000, -0.0023979500000000, 0.0000571900000000 ] - [ 0.0002898500000000, 0.0003965900000000, 0.0000561800000000 ] - [ -0.0001966400000000, -0.0000043200000000, 0.0000295800000000 ] - [ -0.0033121300000000, -0.0004212100000000, 0.0003185700000000 ] - [ -0.0000951700000000, 0.0000918500000000, 0.0000902100000000 ] - [ 0.0005816400000000, 0.0005478800000000, -0.0003873800000000 ] - [ 0.0002082500000000, 0.0002029800000000, -0.0000101300000000 ] - [ 0.0014598700000000, -0.0008307400000000, -0.0000487500000000 ] - [ 0.0002589400000000, -0.0000622900000000, -0.0000392400000000 ] - [ -0.0047221900000000, 0.0014770700000000, -0.0001533900000000 ] - [ -0.0025825700000000, 0.0001096900000000, 0.0002725300000000 ] - [ -0.0019323300000000, -0.0001559700000000, -0.0004517100000000 ] - [ -0.0036530800000000, 0.0003931500000000, -0.0001387500000000 ] - [ 0.0004473200000000, 0.0001669900000000, 0.0000591700000000 ] - [ 0.0001877000000000, -0.0002436500000000, -0.0001919100000000 ] - [ -0.0018269400000000, 0.0000630500000000, -0.0006556100000000 ] - [ -0.0005731800000000, 0.0004652600000000, 0.0000693300000000 ] - [ 0.0001706800000000, -0.0003194000000000, 0.0003753400000000 ] - [ -0.0041176100000000, 0.0042920900000000, -0.0004139300000000 ] - [ -0.0028180900000000, -0.0005694700000000, 0.0004008300000000 ] - [ 0.0001081500000000, 0.0001188500000000, -0.0000868400000000 ] - [ -0.0015399000000000, -0.0013965400000000, -0.0003236700000000 ] - [ 0.0001895600000000, 0.0001325200000000, 0.0000745800000000 ] - [ 0.0011676200000000, 0.0005805700000000, -0.0001781500000000 ] - [ -0.0063895900000000, -0.0004424800000000, 0.0012682400000000 ] - [ -0.0033996800000000, -0.0006046300000000, -0.0004999000000000 ] - [ -0.0020610300000000, -0.0008081500000000, 0.0000154200000000 ] - [ -0.0006095800000000, 0.0011482800000000, 0.0004189000000000 ] - [ 0.0001391200000000, -0.0001273500000000, 0.0002193700000000 ] - [ -0.0027090100000000, -0.0021908700000000, 0.0000071600000000 ] - [ -0.0028071100000000, -0.0013201100000000, 0.0009306800000000 ] - [ 0.0000866000000000, 0.0001447400000000, 0.0003005400000000 ] - [ 0.0080123400000000, -0.0057428600000000, 0.0013948600000000 ] - [ 0.0001354300000000, -0.0004458500000000, 0.0000734500000000 ] - [ 0.0017616400000000, 0.0005396300000000, -0.0001670900000000 ] - [ 0.0020603900000000, -0.0073350500000000, -0.0013967700000000 ] - [ 0.0001762100000000, 0.0006690100000000, 0.0001144500000000 ] - [ -0.0149101100000000, 0.0086561300000000, 0.0195529900000000 ] - [ 0.0002272800000000, -0.0000462600000000, -0.0001153100000000 ] - [ 0.0001873700000000, 0.0001644100000000, 0.0000421300000000 ] - [ 0.0002599500000000, 0.0004131000000000, -0.0001327100000000 ] - [ 0.0010584400000000, -0.0010082100000000, 0.0001638300000000 ] - [ -0.0001065100000000, 0.0001316500000000, 0.0000925200000000 ] - [ 0.0005865800000000, -0.0017478000000000, -0.0002704600000000 ] - [ 0.0006805600000000, -0.0004858500000000, -0.0001094000000000 ] - [ 0.0008775400000000, 0.0025941300000000, 0.0005458400000000 ] - [ -0.0021988400000000, 0.0141142600000000, -0.0039383200000000 ] - [ -0.0006099000000000, -0.0003911900000000, -0.0000143800000000 ] - [ -0.0007213800000000, -0.0005621000000000, -0.0001073400000000 ]- atom: 50 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0016317400000000, -0.0046256900000000, -0.0002483900000000 ] - [ -0.0008710700000000, -0.0030823700000000, -0.0000110200000000 ] - [ 0.0000815800000000, -0.0029247700000000, -0.0001841500000000 ] - [ 0.0001716500000000, -0.0026755200000000, -0.0000921800000000 ] - [ -0.0010763900000000, -0.0016934700000000, -0.0000001500000000 ] - [ 0.0007202400000000, -0.0018267600000000, 0.0000515200000000 ] - [ -0.0071538300000000, 0.0069911900000000, -0.0006981600000000 ] - [ -0.0027322500000000, 0.0119135700000000, -0.0002228100000000 ] - [ 0.0002302700000000, -0.0016543500000000, 0.0000304000000000 ] - [ 0.0050565300000000, 0.0045267500000000, -0.0042566900000000 ] - [ 0.0001619700000000, -0.0016384200000000, 0.0000152900000000 ] - [ 0.0054662900000000, 0.0002536200000000, -0.0043098700000000 ] - [ 0.0050381300000000, 0.0048499000000000, 0.0044924900000000 ] - [ 0.0058858300000000, -0.0002610300000000, 0.0046264700000000 ] - [ -0.0001757200000000, -0.0023049200000000, 0.0004661700000000 ] - [ -0.0000873500000000, -0.0022768500000000, -0.0004561400000000 ] - [ -0.0089225800000000, -0.0032029500000000, -0.0075533400000000 ] - [ -0.0000486500000000, -0.0035039300000000, 0.0001445100000000 ] - [ 0.0001371100000000, -0.0033099200000000, -0.0000119300000000 ] - [ -0.0005542400000000, -0.0035103900000000, -0.0003197000000000 ] - [ 0.0000514200000000, -0.0028751400000000, 0.0000250000000000 ] - [ -0.0036388800000000, 0.0007883100000000, 0.0002147800000000 ] - [ 0.0012882500000000, -0.0014544200000000, -0.0002346300000000 ] - [ -0.0087642000000000, -0.0056039300000000, 0.0067525200000000 ] - [ 0.0020214500000000, 0.0064447500000000, -0.0004255000000000 ] - [ -0.0069201800000000, 0.1138730200000000, 0.0400317300000000 ] - [ -0.0051017600000000, -0.0081884100000000, 0.0048791300000000 ] - [ -0.0013962900000000, -0.0101977400000000, -0.0048180500000000 ] - [ -0.0013712700000000, 0.0565317300000000, 0.0077164000000000 ] - [ -0.0030896100000000, 0.0025106400000000, -0.0006441100000000 ] - [ -0.0036924600000000, -0.0007572000000000, 0.0002047000000000 ] - [ 0.0011717500000000, -0.0030457100000000, 0.0000244700000000 ] - [ 0.0007341100000000, -0.0016978700000000, -0.0000536300000000 ] - [ 0.0017660000000000, -0.0028058600000000, -0.0003302700000000 ] - [ 0.0011363800000000, -0.0030886700000000, -0.0002132800000000 ] - [ -0.0002601100000000, -0.0032687200000000, 0.0001545100000000 ] - [ -0.0002533600000000, -0.0022987700000000, 0.0001022100000000 ] - [ 0.0001524900000000, -0.0036311200000000, -0.0000687700000000 ] - [ 0.0016874500000000, 0.0045073700000000, 0.0004995000000000 ] - [ 0.0001696700000000, -0.0032477700000000, 0.0003123100000000 ] - [ -0.0037320600000000, 0.0043420200000000, 0.0000418900000000 ] - [ 0.0009752800000000, -0.0041887600000000, -0.0010594400000000 ] - [ 0.0007205700000000, -0.0045519400000000, -0.0009409300000000 ] - [ 0.0000498900000000, -0.0040579900000000, 0.0005380800000000 ] - [ 0.0022439900000000, -0.0037679000000000, 0.0008697700000000 ] - [ 0.0000261500000000, -0.0030326300000000, 0.0000591700000000 ] - [ 0.0021962900000000, 0.0065540400000000, 0.0005826500000000 ] - [ -0.0064835400000000, 0.1031681600000000, -0.0364183000000000 ] - [ 0.0049927900000000, -0.0002123300000000, -0.0038021800000000 ] - [ 0.0393686900000000, -0.3309322700000000, -0.0206123700000000 ] - [ 0.0112702800000000, 0.0251813600000000, -0.0031107000000000 ] - [ 0.0003119600000000, 0.0031082000000000, 0.0002795000000000 ] - [ 0.0000844900000000, 0.0014156100000000, -0.0000562300000000 ] - [ 0.0008527600000000, 0.0021513300000000, -0.0002043500000000 ] - [ -0.0193048400000000, 0.0108032800000000, 0.0117283500000000 ] - [ -0.0006334900000000, 0.0061462900000000, -0.0003497700000000 ] - [ -0.0005618700000000, 0.0026468700000000, -0.0001144100000000 ] - [ 0.0003310400000000, 0.0018393600000000, 0.0000690600000000 ] - [ 0.0008512800000000, -0.0032967100000000, -0.0004178700000000 ] - [ -0.0002609400000000, 0.0020255100000000, 0.0000770300000000 ] - [ -0.0012634800000000, 0.0028032800000000, -0.0004158600000000 ] - [ 0.0004149600000000, 0.0029698900000000, 0.0000267700000000 ] - [ -0.0022266900000000, 0.0052814200000000, 0.0004762000000000 ] - [ 0.0010047500000000, 0.0031685200000000, 0.0002036600000000 ] - [ -0.0057106700000000, 0.0004267900000000, -0.0003057100000000 ] - [ 0.0006022700000000, -0.0030526700000000, 0.0005631000000000 ] - [ 0.0007889100000000, -0.0011041900000000, -0.0000306800000000 ] - [ -0.0041158300000000, -0.0044663900000000, 0.0001404400000000 ] - [ -0.0008141800000000, 0.0027567200000000, 0.0003399000000000 ] - [ 0.0005563800000000, 0.0015396100000000, -0.0003013300000000 ] - [ 0.0001102400000000, 0.0004329500000000, -0.0002079300000000 ] - [ -0.0005589600000000, 0.0021424900000000, 0.0000863600000000 ] - [ 0.0013731500000000, 0.0029748100000000, 0.0002281700000000 ] - [ -0.0020169900000000, -0.0011891700000000, -0.0002212300000000 ] - [ 0.0003568800000000, -0.0010354000000000, -0.0001833500000000 ] - [ -0.0001724100000000, 0.0023310500000000, -0.0001675200000000 ] - [ 0.0054950200000000, 0.0002532900000000, -0.0013335700000000 ] - [ 0.0007981100000000, 0.0024516300000000, 0.0000917900000000 ] - [ -0.0007588500000000, 0.0029536400000000, -0.0000948100000000 ] - [ -0.0044618500000000, -0.0055655700000000, 0.0006221900000000 ] - [ -0.0001373300000000, -0.0055214600000000, -0.0008224100000000 ] - [ 0.0047370200000000, 0.0007168300000000, -0.0004862900000000 ] - [ -0.0004047800000000, 0.0012880200000000, 0.0000269200000000 ] - [ 0.0001696300000000, 0.0031619400000000, 0.0001856200000000 ] - [ 0.0058528800000000, -0.0029250700000000, 0.0010938800000000 ] - [ -0.0013689400000000, -0.0058539600000000, 0.0008190200000000 ] - [ -0.0004716100000000, 0.0022465100000000, 0.0004175900000000 ] - [ -0.0004670900000000, -0.0012561100000000, 0.0068705800000000 ] - [ 0.0003268500000000, 0.0020654900000000, 0.0000817500000000 ] - [ -0.0012807100000000, 0.0022138200000000, 0.0000291400000000 ] - [ 0.0062499500000000, 0.0252185100000000, 0.0023718600000000 ] - [ -0.0002841100000000, 0.0019461200000000, -0.0001756500000000 ] - [ -0.0037056200000000, -0.0129600900000000, 0.0030180800000000 ] - [ 0.0005148700000000, 0.0030951800000000, -0.0000238300000000 ] - [ -0.0003577300000000, 0.0024692600000000, 0.0000181500000000 ] - [ -0.0001064300000000, 0.0031069600000000, -0.0002096200000000 ] - [ -0.0003769000000000, 0.0032965500000000, -0.0002427000000000 ] - [ 0.0004792300000000, 0.0023226100000000, 0.0000975900000000 ] - [ 0.0009635800000000, 0.0030940700000000, 0.0002063900000000 ] - [ 0.0010147100000000, 0.0030550100000000, 0.0000526200000000 ] - [ -0.0024234200000000, 0.0014818500000000, 0.0003927000000000 ] - [ -0.0162709600000000, 0.0092439400000000, -0.0070063900000000 ] - [ 0.0015549900000000, 0.0010351000000000, 0.0003813100000000 ] - [ 0.0044423200000000, 0.0035065300000000, 0.0006368200000000 ]- atom: 50 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0016470100000000, 0.0044976900000000, 0.0002266900000000 ] - [ 0.0008668600000000, 0.0029483500000000, -0.0000072400000000 ] - [ 0.0000761500000000, 0.0030704500000000, -0.0000679200000000 ] - [ -0.0000126200000000, 0.0025282000000000, -0.0001597500000000 ] - [ 0.0010840400000000, 0.0018204700000000, -0.0000186500000000 ] - [ -0.0007197000000000, 0.0019617200000000, -0.0000714600000000 ] - [ 0.0069724300000000, -0.0068012700000000, 0.0004396800000000 ] - [ 0.0025817300000000, -0.0120895100000000, -0.0000137400000000 ] - [ 0.0001935500000000, 0.0017479500000000, -0.0001962500000000 ] - [ -0.0054649300000000, -0.0046747500000000, 0.0041319900000000 ] - [ 0.0001337100000000, 0.0017289800000000, 0.0001889900000000 ] - [ -0.0057766300000000, -0.0001560700000000, 0.0045387500000000 ] - [ -0.0053219300000000, -0.0049979900000000, -0.0043229400000000 ] - [ -0.0063038500000000, 0.0003643500000000, -0.0048027500000000 ] - [ 0.0004691500000000, 0.0022103400000000, -0.0002606100000000 ] - [ 0.0005090900000000, 0.0021794000000000, 0.0002890200000000 ] - [ 0.0091413700000000, 0.0025907900000000, 0.0075676400000000 ] - [ -0.0000954700000000, 0.0039511200000000, -0.0000709300000000 ] - [ 0.0000753400000000, 0.0033591100000000, 0.0001156900000000 ] - [ 0.0011553100000000, 0.0032553400000000, 0.0001171500000000 ] - [ 0.0005450900000000, 0.0031289000000000, -0.0002282900000000 ] - [ 0.0038435500000000, -0.0002267400000000, -0.0002643200000000 ] - [ -0.0015059200000000, 0.0014535900000000, 0.0001508000000000 ] - [ 0.0085468300000000, 0.0055904000000000, -0.0065786300000000 ] - [ -0.0018497400000000, -0.0059885700000000, 0.0004967300000000 ] - [ 0.0061348900000000, -0.1080239800000000, -0.0360302700000000 ] - [ 0.0056914600000000, 0.0080844800000000, -0.0050192900000000 ] - [ 0.0010084300000000, 0.0099751200000000, 0.0044119700000000 ] - [ 0.0006601300000000, -0.0566762900000000, -0.0066040700000000 ] - [ 0.0027143400000000, -0.0023188600000000, 0.0002656400000000 ] - [ 0.0042596000000000, 0.0008757300000000, -0.0003149100000000 ] - [ -0.0009633900000000, 0.0029901800000000, 0.0000805300000000 ] - [ -0.0004962100000000, 0.0016726400000000, -0.0000275800000000 ] - [ -0.0013790600000000, 0.0025925200000000, -0.0000483300000000 ] - [ -0.0007396600000000, 0.0032941800000000, -0.0001648300000000 ] - [ 0.0006522500000000, 0.0034813500000000, 0.0001470000000000 ] - [ -0.0003282400000000, 0.0021873100000000, -0.0002129500000000 ] - [ -0.0002966100000000, 0.0031797400000000, 0.0001424700000000 ] - [ -0.0022913900000000, -0.0047532800000000, -0.0007027400000000 ] - [ 0.0002196400000000, 0.0030326300000000, -0.0000098300000000 ] - [ 0.0035280100000000, -0.0042965700000000, 0.0000611400000000 ] - [ -0.0015683500000000, 0.0043081700000000, 0.0009568000000000 ] - [ -0.0004816500000000, 0.0045625500000000, 0.0008559800000000 ] - [ -0.0002677900000000, 0.0046174100000000, -0.0005914100000000 ] - [ -0.0024602300000000, 0.0037523100000000, -0.0009433900000000 ] - [ -0.0002400100000000, 0.0024784900000000, -0.0001083600000000 ] - [ -0.0025886800000000, -0.0063344500000000, -0.0002823800000000 ] - [ 0.0065589500000000, -0.1090110700000000, 0.0400477900000000 ] - [ -0.0054824800000000, 0.0004077500000000, 0.0035666500000000 ] - [ -0.0388730700000000, 0.3308638700000000, 0.0118777800000000 ] - [ -0.0120477500000000, -0.0254446800000000, 0.0029842800000000 ] - [ -0.0000234200000000, -0.0029048500000000, 0.0001993200000000 ] - [ 0.0004249800000000, -0.0015147000000000, -0.0000440600000000 ] - [ -0.0009647300000000, -0.0019833300000000, 0.0001531300000000 ] - [ 0.0191034500000000, -0.0110187100000000, -0.0115448000000000 ] - [ 0.0005255000000000, -0.0063458700000000, 0.0003006100000000 ] - [ 0.0009810300000000, -0.0026974000000000, 0.0001148400000000 ] - [ -0.0002626100000000, -0.0020880300000000, 0.0000038500000000 ] - [ -0.0012785000000000, 0.0033591800000000, 0.0004202100000000 ] - [ 0.0004585200000000, -0.0020788200000000, 0.0000916900000000 ] - [ 0.0013760800000000, -0.0028746700000000, 0.0002156000000000 ] - [ 0.0000021700000000, -0.0029149300000000, -0.0000264100000000 ] - [ 0.0020919300000000, -0.0051890900000000, -0.0006778200000000 ] - [ -0.0009681400000000, -0.0034210200000000, -0.0001321400000000 ] - [ 0.0055082500000000, 0.0002845100000000, 0.0004703700000000 ] - [ -0.0009662700000000, 0.0029654400000000, 0.0000701800000000 ] - [ -0.0013821600000000, 0.0009541800000000, -0.0001334800000000 ] - [ 0.0039181800000000, 0.0044007000000000, 0.0000347400000000 ] - [ 0.0013829900000000, -0.0027732700000000, -0.0002138700000000 ] - [ 0.0001920400000000, -0.0022673500000000, -0.0000723500000000 ] - [ -0.0002350400000000, -0.0004975600000000, 0.0000018300000000 ] - [ 0.0005912100000000, -0.0018817100000000, -0.0000158000000000 ] - [ -0.0010038800000000, -0.0030563200000000, 0.0004043700000000 ] - [ 0.0019640300000000, 0.0009735900000000, 0.0002926100000000 ] - [ -0.0009380400000000, 0.0010231700000000, 0.0003142500000000 ] - [ 0.0007732700000000, -0.0021887300000000, 0.0000032000000000 ] - [ -0.0062288500000000, 0.0004624900000000, 0.0009499300000000 ] - [ -0.0005973600000000, -0.0023945300000000, 0.0000767900000000 ] - [ 0.0015140100000000, -0.0022258700000000, -0.0002778600000000 ] - [ 0.0043682900000000, 0.0058205400000000, -0.0005386100000000 ] - [ -0.0003694300000000, 0.0052900600000000, 0.0005689400000000 ] - [ -0.0052858400000000, -0.0008173600000000, 0.0003935200000000 ] - [ 0.0005216100000000, -0.0012056800000000, -0.0002235800000000 ] - [ 0.0001176900000000, -0.0033627900000000, 0.0002930600000000 ] - [ -0.0066088100000000, 0.0022148800000000, -0.0014739800000000 ] - [ 0.0010775700000000, 0.0056423400000000, -0.0003403200000000 ] - [ 0.0008425200000000, -0.0021674600000000, 0.0002147900000000 ] - [ 0.0000684700000000, 0.0014038700000000, -0.0061615500000000 ] - [ -0.0001179300000000, -0.0027780800000000, 0.0000837000000000 ] - [ 0.0018011000000000, -0.0021138800000000, -0.0001305200000000 ] - [ -0.0065534700000000, -0.0248984400000000, -0.0023504200000000 ] - [ 0.0008593400000000, -0.0019217500000000, 0.0003018800000000 ] - [ 0.0033879400000000, 0.0131237200000000, -0.0027107200000000 ] - [ -0.0000144400000000, -0.0033255600000000, -0.0002260800000000 ] - [ 0.0004264800000000, -0.0022173900000000, 0.0000546300000000 ] - [ 0.0006080700000000, -0.0028731600000000, -0.0000407700000000 ] - [ -0.0001997100000000, -0.0032786700000000, 0.0003663900000000 ] - [ -0.0002736600000000, -0.0016070300000000, 0.0000676400000000 ] - [ -0.0008485500000000, -0.0029228600000000, -0.0002599900000000 ] - [ -0.0004134200000000, -0.0031984700000000, -0.0002172600000000 ] - [ 0.0023772900000000, -0.0012354100000000, -0.0003248100000000 ] - [ 0.0162139100000000, -0.0100299500000000, 0.0072954900000000 ] - [ -0.0014358700000000, -0.0012077800000000, -0.0004288800000000 ] - [ -0.0049273200000000, -0.0033896800000000, -0.0007288100000000 ]- atom: 50 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001653200000000, -0.0000010500000000, 0.0000537800000000 ] - [ -0.0000793700000000, 0.0000652500000000, -0.0000115200000000 ] - [ 0.0000630800000000, 0.0000620500000000, -0.0001200800000000 ] - [ 0.0001057500000000, -0.0001371500000000, -0.0001240200000000 ] - [ 0.0001329200000000, -0.0000011500000000, -0.0000064700000000 ] - [ 0.0002121100000000, -0.0003721600000000, 0.0000234000000000 ] - [ -0.0007078400000000, 0.0009222800000000, 0.0002215400000000 ] - [ 0.0029988800000000, 0.0016670200000000, 0.0020477100000000 ] - [ 0.0002505200000000, -0.0000311600000000, -0.0000504500000000 ] - [ -0.0005470200000000, -0.0041639300000000, 0.0050729600000000 ] - [ 0.0001819800000000, -0.0000345100000000, 0.0000702400000000 ] - [ 0.0011934900000000, 0.0002044500000000, -0.0027402400000000 ] - [ -0.0012272400000000, -0.0044624100000000, -0.0047527900000000 ] - [ 0.0010003700000000, 0.0004991600000000, 0.0028083300000000 ] - [ 0.0001094900000000, -0.0000635700000000, 0.0001161600000000 ] - [ 0.0001708000000000, -0.0000692000000000, -0.0000970500000000 ] - [ 0.0021576600000000, -0.0007513200000000, 0.0004967200000000 ] - [ -0.0000969100000000, 0.0001464200000000, 0.0000315900000000 ] - [ 0.0001445800000000, -0.0000751400000000, 0.0000579600000000 ] - [ 0.0003743600000000, -0.0001700900000000, -0.0001039200000000 ] - [ 0.0003067300000000, 0.0001039900000000, -0.0001004100000000 ] - [ 0.0005963000000000, 0.0005913100000000, 0.0000662300000000 ] - [ 0.0007134100000000, -0.0006818100000000, -0.0002963100000000 ] - [ -0.0017279300000000, -0.0007095500000000, 0.0006570600000000 ] - [ 0.0019571400000000, 0.0006915000000000, 0.0000546400000000 ] - [ -0.0121630500000000, 0.0372976000000000, 0.0475304600000000 ] - [ 0.0006603700000000, -0.0000110600000000, 0.0002796500000000 ] - [ -0.0008467200000000, 0.0004257000000000, 0.0006102800000000 ] - [ -0.0408369900000000, 0.0051121300000000, 0.1005447700000000 ] - [ 0.0000401400000000, 0.0002140000000000, -0.0002764100000000 ] - [ 0.0006239600000000, 0.0000695900000000, -0.0001060500000000 ] - [ -0.0000339400000000, -0.0000490400000000, 0.0000413600000000 ] - [ 0.0000210600000000, -0.0002803900000000, -0.0001136600000000 ] - [ -0.0001315500000000, -0.0003088400000000, -0.0001308700000000 ] - [ 0.0002628900000000, -0.0000732000000000, -0.0002104100000000 ] - [ 0.0002395500000000, 0.0000497400000000, 0.0001394200000000 ] - [ -0.0000706400000000, -0.0000125900000000, -0.0000514700000000 ] - [ -0.0000911100000000, -0.0002822100000000, 0.0000452500000000 ] - [ 0.0008596900000000, 0.0006375900000000, -0.0000642000000000 ] - [ 0.0001739300000000, -0.0001469000000000, 0.0001506900000000 ] - [ 0.0003083700000000, 0.0000816900000000, 0.0000842000000000 ] - [ -0.0002439800000000, 0.0001155900000000, -0.0000654100000000 ] - [ -0.0000049400000000, -0.0000907100000000, 0.0000913700000000 ] - [ -0.0000526500000000, 0.0002683900000000, -0.0000235300000000 ] - [ -0.0008706000000000, -0.0005210400000000, -0.0001667200000000 ] - [ -0.0000317600000000, -0.0002635600000000, -0.0000175000000000 ] - [ 0.0005729500000000, 0.0004306200000000, 0.0000768200000000 ] - [ 0.0058578500000000, -0.0326524600000000, 0.0455439000000000 ] - [ 0.0025011200000000, 0.0090451700000000, 0.0321813200000000 ] - [ 0.0638612500000000, -0.0158857000000000, -0.2858405800000000 ] - [ 0.0006352200000000, 0.0021043600000000, 0.0003983900000000 ] - [ 0.0001493600000000, 0.0001411600000000, 0.0002462600000000 ] - [ 0.0000948200000000, 0.0000359400000000, -0.0000333600000000 ] - [ -0.0001910100000000, 0.0000345800000000, 0.0000085200000000 ] - [ -0.0064260000000000, 0.0097804500000000, -0.0019404500000000 ] - [ -0.0002169100000000, 0.0000041900000000, -0.0000456300000000 ] - [ 0.0002741100000000, 0.0000449400000000, 0.0000038000000000 ] - [ 0.0000447000000000, -0.0000650900000000, 0.0000329700000000 ] - [ -0.0009517700000000, -0.0000644600000000, -0.0000268600000000 ] - [ 0.0000463800000000, 0.0000457900000000, 0.0000845300000000 ] - [ 0.0001444900000000, 0.0001873600000000, -0.0001474900000000 ] - [ 0.0002009200000000, 0.0001196100000000, -0.0000050400000000 ] - [ 0.0004425300000000, -0.0001816900000000, -0.0001053000000000 ] - [ 0.0001016600000000, -0.0000761400000000, 0.0000135600000000 ] - [ -0.0027590900000000, 0.0006114600000000, 0.0000512000000000 ] - [ -0.0006732200000000, -0.0003439300000000, 0.0005083700000000 ] - [ -0.0008240100000000, -0.0001649800000000, -0.0002773000000000 ] - [ -0.0004344600000000, -0.0005180700000000, 0.0001385000000000 ] - [ 0.0003157700000000, 0.0000740900000000, 0.0000598500000000 ] - [ 0.0003159400000000, -0.0003148600000000, -0.0001898700000000 ] - [ -0.0003231100000000, 0.0001525900000000, -0.0002727200000000 ] - [ -0.0000450600000000, 0.0003029100000000, 0.0000527800000000 ] - [ 0.0001571900000000, -0.0000221000000000, 0.0003059500000000 ] - [ -0.0010706200000000, 0.0028038100000000, -0.0003065700000000 ] - [ -0.0006484600000000, 0.0000062800000000, 0.0001146400000000 ] - [ 0.0002440300000000, 0.0000734300000000, -0.0000854700000000 ] - [ -0.0002321900000000, -0.0002305800000000, -0.0002971100000000 ] - [ 0.0001318900000000, 0.0000502200000000, 0.0000847200000000 ] - [ 0.0003757100000000, 0.0002698600000000, -0.0001895600000000 ] - [ -0.0014129100000000, 0.0009408700000000, 0.0010324700000000 ] - [ -0.0009595900000000, -0.0003094000000000, -0.0001429300000000 ] - [ -0.0003055100000000, -0.0000063200000000, -0.0001411600000000 ] - [ 0.0000920100000000, 0.0004890600000000, 0.0001938800000000 ] - [ 0.0001241000000000, -0.0000474400000000, 0.0002377800000000 ] - [ -0.0008362300000000, -0.0003930400000000, 0.0001332300000000 ] - [ -0.0008329200000000, -0.0006803100000000, 0.0002554200000000 ] - [ 0.0001692100000000, 0.0000582300000000, 0.0003112300000000 ] - [ -0.0056128700000000, -0.0063980000000000, 0.0457306000000000 ] - [ 0.0001210700000000, -0.0003805100000000, 0.0000797400000000 ] - [ 0.0004142900000000, 0.0000243300000000, -0.0000379400000000 ] - [ -0.0002854800000000, -0.0040643000000000, 0.0006966000000000 ] - [ 0.0005148300000000, 0.0000836900000000, 0.0000386400000000 ] - [ -0.0129918800000000, 0.0056339400000000, 0.0116089800000000 ] - [ 0.0002441900000000, -0.0000449900000000, -0.0001181000000000 ] - [ 0.0000557000000000, 0.0001550100000000, 0.0000371900000000 ] - [ 0.0002742200000000, 0.0001571600000000, -0.0001326800000000 ] - [ 0.0001954300000000, 0.0001904900000000, -0.0000066800000000 ] - [ 0.0000482800000000, 0.0004248600000000, 0.0000849200000000 ] - [ -0.0001237800000000, -0.0000590300000000, -0.0002833000000000 ] - [ 0.0002848200000000, -0.0000718000000000, -0.0000725300000000 ] - [ 0.0000633400000000, 0.0005326200000000, -0.0000746400000000 ] - [ 0.0038047200000000, -0.0069897500000000, -0.0010041000000000 ] - [ -0.0001184900000000, -0.0001865900000000, -0.0000383300000000 ] - [ -0.0005284800000000, -0.0003193100000000, -0.0001973000000000 ]- atom: 50 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001634000000000, -0.0001346600000000, -0.0000752300000000 ] - [ 0.0000783600000000, -0.0001987300000000, -0.0000091400000000 ] - [ 0.0000954600000000, 0.0000839600000000, -0.0001320100000000 ] - [ 0.0000525500000000, -0.0000084900000000, -0.0001278200000000 ] - [ -0.0001305800000000, 0.0001331900000000, -0.0000144100000000 ] - [ -0.0002140700000000, 0.0005057800000000, -0.0000431900000000 ] - [ 0.0005526100000000, -0.0007697000000000, -0.0004594800000000 ] - [ -0.0031771900000000, -0.0018295900000000, -0.0022639000000000 ] - [ 0.0001713500000000, 0.0001263500000000, -0.0001161900000000 ] - [ 0.0001355500000000, 0.0040802100000000, -0.0052762600000000 ] - [ 0.0001116700000000, 0.0001264700000000, 0.0001350500000000 ] - [ -0.0014957800000000, -0.0001192500000000, 0.0029715600000000 ] - [ 0.0009356900000000, 0.0043871400000000, 0.0049895300000000 ] - [ -0.0014339600000000, -0.0003974600000000, -0.0030070200000000 ] - [ 0.0001842400000000, -0.0000285700000000, 0.0000891100000000 ] - [ 0.0002511200000000, -0.0000262400000000, -0.0000696500000000 ] - [ -0.0018880200000000, 0.0002631000000000, -0.0005927400000000 ] - [ -0.0000467200000000, 0.0003015800000000, 0.0000421100000000 ] - [ 0.0000645800000000, 0.0001261100000000, 0.0000464000000000 ] - [ 0.0002235100000000, -0.0000851700000000, -0.0001008600000000 ] - [ 0.0002906100000000, 0.0001517000000000, -0.0001032200000000 ] - [ -0.0003971900000000, -0.0000411500000000, -0.0001173000000000 ] - [ -0.0009456000000000, 0.0006977800000000, 0.0002149000000000 ] - [ 0.0015065000000000, 0.0006017800000000, -0.0005824100000000 ] - [ -0.0018145200000000, -0.0002442100000000, 0.0000191400000000 ] - [ 0.0121398600000000, -0.0361957700000000, -0.0472870800000000 ] - [ -0.0000896100000000, -0.0001040000000000, -0.0003584600000000 ] - [ 0.0004548200000000, -0.0006277300000000, -0.0009645700000000 ] - [ 0.0439716600000000, -0.0057580000000000, -0.1083626600000000 ] - [ -0.0004314000000000, -0.0000077500000000, -0.0001014900000000 ] - [ -0.0000464500000000, 0.0000412500000000, -0.0000046300000000 ] - [ 0.0002450000000000, -0.0000031400000000, 0.0000632100000000 ] - [ 0.0002175100000000, 0.0002621200000000, 0.0000337600000000 ] - [ 0.0005245700000000, 0.0001022600000000, -0.0002480300000000 ] - [ 0.0001300300000000, 0.0002793700000000, -0.0001689700000000 ] - [ 0.0001484800000000, 0.0001627000000000, 0.0001636700000000 ] - [ -0.0005105600000000, -0.0001005600000000, -0.0000610200000000 ] - [ -0.0000523700000000, -0.0001662200000000, 0.0000287800000000 ] - [ -0.0014693000000000, -0.0008974900000000, -0.0001379800000000 ] - [ 0.0002146400000000, -0.0000656600000000, 0.0001519200000000 ] - [ -0.0005063300000000, -0.0000359400000000, 0.0000194500000000 ] - [ -0.0003441700000000, 0.0000044400000000, -0.0000544700000000 ] - [ 0.0002431100000000, 0.0001085900000000, -0.0001696500000000 ] - [ -0.0001594400000000, 0.0002831700000000, -0.0000221100000000 ] - [ 0.0006487900000000, 0.0005049200000000, 0.0000802500000000 ] - [ -0.0001794100000000, -0.0002891400000000, -0.0000319800000000 ] - [ -0.0009671400000000, -0.0002176300000000, 0.0002254800000000 ] - [ -0.0063028600000000, 0.0313432200000000, -0.0455902900000000 ] - [ -0.0028547900000000, -0.0084818100000000, -0.0324617900000000 ] - [ -0.0678816300000000, 0.0166189700000000, 0.2943795100000000 ] - [ -0.0012303700000000, -0.0018845100000000, -0.0005610000000000 ] - [ 0.0001386300000000, 0.0000609600000000, 0.0002322500000000 ] - [ 0.0004170500000000, -0.0001345900000000, -0.0000659300000000 ] - [ 0.0000768400000000, 0.0001348400000000, -0.0000584700000000 ] - [ 0.0063917100000000, -0.0100817700000000, 0.0018750400000000 ] - [ 0.0001035000000000, -0.0001640600000000, -0.0000058700000000 ] - [ 0.0001435300000000, -0.0000982300000000, -0.0000040900000000 ] - [ 0.0000237300000000, -0.0001852900000000, 0.0000402400000000 ] - [ 0.0005315400000000, 0.0001200500000000, 0.0000303700000000 ] - [ 0.0001531200000000, -0.0001007800000000, 0.0000840200000000 ] - [ -0.0000305400000000, -0.0002586500000000, -0.0000530400000000 ] - [ 0.0002169900000000, -0.0000659500000000, 0.0000053200000000 ] - [ -0.0005622400000000, 0.0002501100000000, -0.0000972000000000 ] - [ -0.0000662300000000, -0.0001800200000000, 0.0000564700000000 ] - [ 0.0025743400000000, 0.0000998100000000, 0.0001173300000000 ] - [ 0.0003078600000000, 0.0002653200000000, 0.0001219700000000 ] - [ 0.0002306400000000, 0.0000225000000000, 0.0001157600000000 ] - [ 0.0002344200000000, 0.0004679000000000, 0.0000306000000000 ] - [ 0.0002571200000000, -0.0000937400000000, 0.0000657900000000 ] - [ 0.0004342300000000, -0.0004133200000000, -0.0001836100000000 ] - [ 0.0002044800000000, -0.0002239500000000, 0.0000716100000000 ] - [ 0.0000806000000000, -0.0000460600000000, 0.0000177700000000 ] - [ 0.0002144500000000, -0.0000553400000000, 0.0003267300000000 ] - [ 0.0010346900000000, -0.0030742500000000, 0.0003728800000000 ] - [ 0.0000710400000000, -0.0000266700000000, 0.0000102600000000 ] - [ 0.0003567900000000, 0.0000692400000000, -0.0000791300000000 ] - [ -0.0004958300000000, 0.0009728600000000, -0.0000697900000000 ] - [ 0.0000672800000000, 0.0000055800000000, 0.0000838800000000 ] - [ 0.0003735600000000, 0.0004599100000000, -0.0001837300000000 ] - [ 0.0013400500000000, -0.0006976000000000, -0.0009593000000000 ] - [ 0.0004612300000000, 0.0000803900000000, -0.0001098900000000 ] - [ -0.0002059400000000, -0.0000915000000000, 0.0000385700000000 ] - [ 0.0000238400000000, -0.0004178500000000, -0.0003960300000000 ] - [ 0.0001637700000000, -0.0001549000000000, 0.0002408000000000 ] - [ 0.0000542000000000, -0.0003378700000000, -0.0005019700000000 ] - [ 0.0005493000000000, 0.0004789900000000, 0.0002235600000000 ] - [ 0.0002017100000000, 0.0000205500000000, 0.0003215200000000 ] - [ 0.0051289500000000, 0.0060126600000000, -0.0451361600000000 ] - [ 0.0000864100000000, -0.0003335900000000, 0.0000861700000000 ] - [ 0.0001003400000000, 0.0000738400000000, -0.0000611300000000 ] - [ -0.0001368400000000, 0.0039785300000000, -0.0006798000000000 ] - [ 0.0000570500000000, -0.0000638000000000, 0.0000877800000000 ] - [ 0.0129582200000000, -0.0055828600000000, -0.0114447200000000 ] - [ 0.0002570900000000, -0.0001859800000000, -0.0001317400000000 ] - [ 0.0000128900000000, 0.0000958000000000, 0.0000358100000000 ] - [ 0.0002266200000000, 0.0000745400000000, -0.0001169700000000 ] - [ -0.0007759500000000, -0.0001490400000000, 0.0001333000000000 ] - [ 0.0001590500000000, 0.0002892800000000, 0.0000810500000000 ] - [ 0.0002330900000000, 0.0001993100000000, 0.0002342600000000 ] - [ 0.0003165900000000, -0.0000743200000000, -0.0000920500000000 ] - [ -0.0001031400000000, -0.0002820900000000, 0.0001380700000000 ] - [ -0.0040327200000000, 0.0063245400000000, 0.0010912000000000 ] - [ 0.0002373100000000, 0.0000206200000000, -0.0000120200000000 ] - [ 0.0000174100000000, 0.0004184000000000, 0.0000954900000000 ]- atom: 51 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0042220800000000, 0.0095653400000000, -0.0013915200000000 ] - [ -0.0001337800000000, -0.0007994400000000, -0.0000349900000000 ] - [ 0.0002544200000000, -0.0000236500000000, -0.0001099400000000 ] - [ 0.0000281700000000, -0.0007664300000000, -0.0001154400000000 ] - [ 0.0003566000000000, -0.0034819200000000, 0.0001113400000000 ] - [ 0.0000162900000000, -0.0001027800000000, -0.0000000200000000 ] - [ -0.0019990900000000, -0.0017462300000000, -0.0001460000000000 ] - [ 0.0061132800000000, 0.0054106200000000, 0.0001613400000000 ] - [ -0.0000023600000000, -0.0010260700000000, 0.0002090700000000 ] - [ -0.0072233500000000, -0.0011602700000000, 0.0050666800000000 ] - [ -0.0000527700000000, -0.0010933800000000, -0.0001892400000000 ] - [ 0.0009955100000000, 0.0005846100000000, -0.0005215000000000 ] - [ -0.0065776900000000, -0.0010569600000000, -0.0051377200000000 ] - [ 0.0009422300000000, 0.0006220700000000, 0.0005449600000000 ] - [ 0.0001500300000000, -0.0004120600000000, 0.0001884600000000 ] - [ 0.0002170800000000, -0.0004100900000000, -0.0001706900000000 ] - [ 0.0455836800000000, 0.0051181800000000, 0.0237821400000000 ] - [ 0.0000856100000000, -0.0005301300000000, 0.0001035400000000 ] - [ 0.0001146600000000, -0.0006358600000000, 0.0000319400000000 ] - [ 0.0016863200000000, -0.0008922400000000, -0.0000543000000000 ] - [ 0.0002013100000000, -0.0003860900000000, -0.0000834900000000 ] - [ -0.0016214000000000, 0.0002121900000000, 0.0000889200000000 ] - [ -0.0073810700000000, 0.0022159000000000, -0.0000282500000000 ] - [ -0.0011737700000000, -0.0025082300000000, 0.0002204900000000 ] - [ -0.0072277100000000, 0.0025581400000000, 0.0000359600000000 ] - [ 0.0040590200000000, -0.0061344100000000, -0.0022872400000000 ] - [ 0.0475693600000000, 0.0302218400000000, -0.0119443800000000 ] - [ -0.0002681300000000, -0.0018513500000000, -0.0005048200000000 ] - [ -0.0024444000000000, -0.0037284800000000, 0.0026679000000000 ] - [ -0.0132620800000000, 0.0055857100000000, -0.0011052100000000 ] - [ -0.0004941800000000, -0.0002758200000000, 0.0000240000000000 ] - [ 0.0000090000000000, 0.0002152700000000, 0.0000767900000000 ] - [ -0.0029104600000000, -0.0010006300000000, 0.0007561600000000 ] - [ -0.0017006800000000, 0.0006898100000000, -0.0000565000000000 ] - [ 0.0003529000000000, -0.0004526300000000, -0.0002023900000000 ] - [ 0.0007598300000000, -0.0005451000000000, -0.0000515700000000 ] - [ -0.0004448400000000, -0.0005436200000000, -0.0000614200000000 ] - [ -0.0008921900000000, -0.0005968200000000, -0.0000964000000000 ] - [ -0.0006502700000000, 0.0008636100000000, -0.0000862900000000 ] - [ 0.0000923300000000, -0.0005199100000000, 0.0001321500000000 ] - [ -0.0105970700000000, 0.0029469700000000, 0.0020635000000000 ] - [ 0.0030381400000000, 0.0010574400000000, 0.0007295400000000 ] - [ 0.0003534700000000, -0.0007713400000000, -0.0001842400000000 ] - [ 0.0000654500000000, -0.0001583900000000, -0.0001796800000000 ] - [ 0.0008718900000000, -0.0004996900000000, -0.0000614000000000 ] - [ -0.0002232100000000, -0.0008160200000000, -0.0000145800000000 ] - [ -0.0009538800000000, 0.0029254600000000, 0.0010126300000000 ] - [ 0.0644511800000000, 0.0394241700000000, 0.0286728800000000 ] - [ -0.0000936300000000, 0.0030149500000000, -0.0003313800000000 ] - [ -0.0004799100000000, 0.0117997000000000, 0.0011819700000000 ] - [ -0.1807514000000000, -0.1084942100000000, -0.0631638500000000 ] - [ 0.0003365300000000, 0.0005742700000000, 0.0002957700000000 ] - [ 0.0003408800000000, 0.0002025100000000, -0.0000490500000000 ] - [ 0.0001848300000000, 0.0005296700000000, -0.0000614600000000 ] - [ -0.0036987100000000, -0.0001465000000000, 0.0003443600000000 ] - [ -0.0049037100000000, -0.0017424400000000, 0.0005315600000000 ] - [ 0.0006748800000000, -0.0002174800000000, -0.0000987900000000 ] - [ 0.0007292700000000, 0.0005536500000000, 0.0000627300000000 ] - [ 0.0048767700000000, -0.0035338700000000, -0.0010179200000000 ] - [ -0.0002625400000000, 0.0007984500000000, 0.0000848600000000 ] - [ -0.0003093800000000, 0.0004215800000000, -0.0000996800000000 ] - [ 0.0002180700000000, 0.0005920900000000, 0.0000008700000000 ] - [ -0.0005984200000000, 0.0008999500000000, -0.0000580200000000 ] - [ 0.0001075000000000, 0.0004203700000000, 0.0000567400000000 ] - [ -0.0004863300000000, 0.0000604800000000, 0.0000650900000000 ] - [ 0.0009115200000000, -0.0010815000000000, 0.0004146800000000 ] - [ 0.0003994600000000, -0.0002372400000000, 0.0000214100000000 ] - [ -0.0005254500000000, -0.0019442500000000, -0.0000896400000000 ] - [ 0.0000613900000000, 0.0004657700000000, 0.0001153400000000 ] - [ 0.0004886600000000, 0.0000402300000000, -0.0002179300000000 ] - [ 0.0049106100000000, 0.0003718500000000, 0.0014687900000000 ] - [ 0.0015650200000000, 0.0016229000000000, -0.0000263300000000 ] - [ -0.0003615300000000, -0.0001843000000000, 0.0002097400000000 ] - [ 0.0059626300000000, -0.0033991900000000, 0.0002557000000000 ] - [ 0.0053641000000000, -0.0002274300000000, -0.0022031200000000 ] - [ 0.0002859900000000, 0.0004918600000000, -0.0001025900000000 ] - [ 0.0011301900000000, 0.0013897100000000, -0.0001236400000000 ] - [ 0.0002255900000000, 0.0003475700000000, 0.0001007800000000 ] - [ -0.0004326400000000, 0.0001549800000000, -0.0002400500000000 ] - [ 0.0091912000000000, 0.0024295400000000, -0.0001721300000000 ] - [ 0.0034986800000000, -0.0037950300000000, 0.0004824100000000 ] - [ 0.0192386700000000, 0.0119550300000000, -0.0057465900000000 ] - [ 0.0024481300000000, -0.0001558600000000, -0.0006071500000000 ] - [ -0.0002350600000000, 0.0006167100000000, 0.0002554300000000 ] - [ 0.0108129600000000, -0.0060434200000000, 0.0137173300000000 ] - [ 0.0014870200000000, -0.0011840900000000, -0.0002888000000000 ] - [ 0.0001597400000000, 0.0003952200000000, 0.0003322200000000 ] - [ -0.0054867900000000, 0.0034160000000000, -0.0036753000000000 ] - [ 0.0001487200000000, 0.0001121600000000, 0.0000872300000000 ] - [ -0.0002452400000000, -0.0016294000000000, -0.0000601900000000 ] - [ 0.0000183000000000, 0.0029774300000000, 0.0002373800000000 ] - [ 0.0018821800000000, -0.0003023000000000, 0.0000695000000000 ] - [ 0.0022976100000000, 0.0014145100000000, 0.0000880800000000 ] - [ 0.0001413600000000, 0.0004826800000000, -0.0000328300000000 ] - [ -0.0001872200000000, 0.0005124800000000, 0.0000172300000000 ] - [ 0.0004336400000000, 0.0003369300000000, -0.0001815600000000 ] - [ -0.0006726800000000, 0.0011366600000000, -0.0000057300000000 ] - [ -0.0003598100000000, 0.0021841400000000, 0.0000846400000000 ] - [ -0.0092614000000000, -0.0007952400000000, 0.0046832000000000 ] - [ -0.0005276900000000, 0.0001473000000000, -0.0001040600000000 ] - [ -0.0008275800000000, -0.0001048500000000, 0.0000514700000000 ] - [ 0.0232488200000000, 0.0060850600000000, 0.0115773700000000 ] - [ 0.0005647300000000, 0.0002589100000000, 0.0000063700000000 ] - [ 0.0004501700000000, 0.0007139900000000, -0.0000036300000000 ]- atom: 51 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0042098800000000, -0.0096128700000000, 0.0013627200000000 ] - [ 0.0001341800000000, 0.0006662100000000, 0.0000150400000000 ] - [ -0.0000907100000000, 0.0001667700000000, -0.0001422700000000 ] - [ 0.0001289600000000, 0.0006176600000000, -0.0001365500000000 ] - [ -0.0003646500000000, 0.0036190900000000, -0.0001243800000000 ] - [ -0.0000166700000000, 0.0002283200000000, -0.0000196500000000 ] - [ 0.0018404600000000, 0.0018834300000000, -0.0001056400000000 ] - [ -0.0063699900000000, -0.0054393300000000, -0.0003703200000000 ] - [ 0.0004201100000000, 0.0011228700000000, -0.0003777300000000 ] - [ 0.0067722700000000, 0.0010466500000000, -0.0052085700000000 ] - [ 0.0003421500000000, 0.0011870700000000, 0.0003964800000000 ] - [ -0.0012891300000000, -0.0004958600000000, 0.0007255100000000 ] - [ 0.0062794600000000, 0.0009514000000000, 0.0053369400000000 ] - [ -0.0013635300000000, -0.0005304200000000, -0.0007102000000000 ] - [ 0.0001447800000000, 0.0003172900000000, 0.0000175100000000 ] - [ 0.0002058800000000, 0.0003121800000000, 0.0000032000000000 ] - [ -0.0450799200000000, -0.0056754300000000, -0.0239023100000000 ] - [ -0.0002285500000000, 0.0009705400000000, -0.0000298700000000 ] - [ 0.0000943600000000, 0.0006810300000000, 0.0000726700000000 ] - [ -0.0011018000000000, 0.0006272400000000, -0.0001529600000000 ] - [ 0.0003976300000000, 0.0006398200000000, -0.0001202700000000 ] - [ 0.0018332600000000, 0.0003358900000000, -0.0001384900000000 ] - [ 0.0071277700000000, -0.0021838800000000, -0.0000498900000000 ] - [ 0.0009644100000000, 0.0024534300000000, -0.0001137800000000 ] - [ 0.0073624500000000, -0.0021078300000000, 0.0000402400000000 ] - [ -0.0039203500000000, 0.0056971200000000, 0.0023580700000000 ] - [ -0.0469793700000000, -0.0313417300000000, 0.0123256800000000 ] - [ -0.0001239000000000, 0.0016415400000000, 0.0001261200000000 ] - [ 0.0020879800000000, 0.0035238100000000, -0.0023421500000000 ] - [ 0.0128447800000000, -0.0053777600000000, 0.0007357000000000 ] - [ 0.0010734200000000, 0.0003836900000000, -0.0001356800000000 ] - [ 0.0002172000000000, -0.0002600400000000, 0.0000266600000000 ] - [ 0.0031430400000000, 0.0009926700000000, -0.0008341800000000 ] - [ 0.0021005500000000, -0.0008860100000000, -0.0003217800000000 ] - [ 0.0000403800000000, 0.0006534900000000, -0.0001762200000000 ] - [ -0.0003791000000000, 0.0007502700000000, 0.0003572100000000 ] - [ -0.0001359000000000, 0.0004275800000000, -0.0000503200000000 ] - [ 0.0007471800000000, 0.0001489300000000, 0.0001695400000000 ] - [ 0.0000529400000000, -0.0011236900000000, -0.0001174200000000 ] - [ 0.0002987100000000, 0.0003059900000000, 0.0001701500000000 ] - [ 0.0103596200000000, -0.0028881400000000, -0.0019604400000000 ] - [ -0.0035543500000000, -0.0009640700000000, -0.0008520400000000 ] - [ -0.0001163400000000, 0.0007842600000000, 0.0001038800000000 ] - [ -0.0002568800000000, 0.0006772300000000, 0.0001525800000000 ] - [ -0.0011076800000000, 0.0004777600000000, -0.0000184100000000 ] - [ 0.0000106500000000, 0.0002597700000000, -0.0000349500000000 ] - [ 0.0005640300000000, -0.0027135100000000, -0.0007088700000000 ] - [ -0.0630907300000000, -0.0366802000000000, -0.0270225800000000 ] - [ -0.0004117400000000, -0.0027880700000000, 0.0000796100000000 ] - [ 0.0001515700000000, -0.0115161500000000, -0.0006846700000000 ] - [ 0.1779783100000000, 0.1067677100000000, 0.0603973800000000 ] - [ -0.0000482500000000, -0.0003712800000000, 0.0001828300000000 ] - [ 0.0001712400000000, -0.0002992100000000, -0.0000505200000000 ] - [ -0.0002985000000000, -0.0003573900000000, 0.0000112800000000 ] - [ 0.0036313700000000, -0.0001004100000000, -0.0002699100000000 ] - [ 0.0047688400000000, 0.0016811400000000, -0.0005956200000000 ] - [ -0.0002605900000000, 0.0001602500000000, 0.0000963600000000 ] - [ -0.0006562900000000, -0.0008037300000000, 0.0000108800000000 ] - [ -0.0052759700000000, 0.0035773900000000, 0.0010118000000000 ] - [ 0.0004656600000000, -0.0008532100000000, 0.0000835800000000 ] - [ 0.0004254500000000, -0.0004896100000000, -0.0001022100000000 ] - [ 0.0002009700000000, -0.0005335300000000, -0.0000005500000000 ] - [ 0.0004807900000000, -0.0008243800000000, -0.0001430000000000 ] - [ -0.0000689500000000, -0.0006730100000000, 0.0000139100000000 ] - [ 0.0002803000000000, 0.0006585300000000, 0.0001007200000000 ] - [ -0.0012820900000000, 0.0010064300000000, 0.0002182400000000 ] - [ -0.0010000900000000, 0.0000990300000000, -0.0001861900000000 ] - [ 0.0003283200000000, 0.0018895400000000, 0.0002584400000000 ] - [ 0.0005108000000000, -0.0004808200000000, 0.0000107300000000 ] - [ 0.0002625900000000, -0.0007652200000000, -0.0001561300000000 ] - [ -0.0050219800000000, -0.0004476500000000, -0.0016705300000000 ] - [ -0.0015221100000000, -0.0013733900000000, 0.0000970500000000 ] - [ 0.0007408700000000, 0.0001246900000000, 0.0004211000000000 ] - [ -0.0059795000000000, 0.0031336200000000, -0.0001813400000000 ] - [ -0.0059247300000000, 0.0002091300000000, 0.0023298700000000 ] - [ 0.0003145600000000, -0.0003471700000000, -0.0000621800000000 ] - [ -0.0018784400000000, -0.0006584400000000, -0.0002501700000000 ] - [ -0.0000282300000000, -0.0002895400000000, 0.0000680200000000 ] - [ 0.0011585200000000, 0.0005760400000000, -0.0001345000000000 ] - [ -0.0092321800000000, -0.0021596400000000, 0.0002419400000000 ] - [ -0.0039967700000000, 0.0035645800000000, -0.0007266500000000 ] - [ -0.0199638500000000, -0.0122623100000000, 0.0057435200000000 ] - [ -0.0023293000000000, 0.0002181800000000, 0.0004045600000000 ] - [ 0.0005257600000000, -0.0008112000000000, 0.0002234800000000 ] - [ -0.0116334400000000, 0.0053766400000000, -0.0142639300000000 ] - [ -0.0017716900000000, 0.0009868900000000, 0.0007657300000000 ] - [ 0.0002106300000000, -0.0003151100000000, 0.0003005500000000 ] - [ 0.0050192800000000, -0.0033279200000000, 0.0043259200000000 ] - [ 0.0000576700000000, -0.0008251300000000, 0.0000785600000000 ] - [ 0.0007305400000000, 0.0017171900000000, -0.0000383400000000 ] - [ -0.0004332100000000, -0.0030231500000000, -0.0002379400000000 ] - [ -0.0013102700000000, 0.0003105200000000, 0.0000539300000000 ] - [ -0.0025067000000000, -0.0013442200000000, 0.0000827100000000 ] - [ 0.0003622900000000, -0.0007066400000000, -0.0002175200000000 ] - [ 0.0002557600000000, -0.0002581800000000, 0.0000558200000000 ] - [ 0.0000649600000000, -0.0001059000000000, -0.0000677700000000 ] - [ 0.0001000500000000, -0.0011151900000000, 0.0001311600000000 ] - [ 0.0005744600000000, -0.0014677900000000, 0.0000811500000000 ] - [ 0.0093968300000000, 0.0009955500000000, -0.0046558300000000 ] - [ 0.0011252400000000, -0.0002738000000000, -0.0000599200000000 ] - [ 0.0007909400000000, 0.0003643200000000, 0.0000193500000000 ] - [ -0.0230705100000000, -0.0066835800000000, -0.0112107900000000 ] - [ -0.0004482500000000, -0.0004237600000000, -0.0000561100000000 ] - [ -0.0009599000000000, -0.0006118400000000, -0.0000958100000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0073395900000000, 0.0034325300000000, 0.0013560200000000 ] - [ -0.0002518000000000, -0.0026363600000000, -0.0000861000000000 ] - [ 0.0007373000000000, -0.0025962700000000, -0.0002611500000000 ] - [ -0.0001055500000000, -0.0022199100000000, -0.0001238200000000 ] - [ -0.0032357300000000, 0.0013902500000000, -0.0002468300000000 ] - [ 0.0001576500000000, -0.0021552100000000, 0.0000715600000000 ] - [ -0.0028650300000000, -0.0006955900000000, -0.0002687400000000 ] - [ 0.0067908800000000, 0.0030534400000000, -0.0017801200000000 ] - [ -0.0005531100000000, -0.0007174100000000, -0.0003150900000000 ] - [ -0.0036675700000000, 0.0030120300000000, 0.0005520000000000 ] - [ -0.0006657800000000, -0.0007244000000000, 0.0003614300000000 ] - [ 0.0013256200000000, -0.0015555600000000, -0.0010385600000000 ] - [ -0.0034270500000000, 0.0025153500000000, -0.0006650700000000 ] - [ 0.0013230900000000, -0.0015666800000000, 0.0010883400000000 ] - [ 0.0000775200000000, -0.0018903700000000, 0.0003819200000000 ] - [ 0.0001496100000000, -0.0018807800000000, -0.0003760800000000 ] - [ 0.0060811100000000, 0.0512475500000000, -0.0077261200000000 ] - [ -0.0000076900000000, -0.0033985700000000, 0.0000239500000000 ] - [ -0.0002963700000000, -0.0029873400000000, 0.0001450100000000 ] - [ -0.0024472400000000, -0.0038259600000000, -0.0012747000000000 ] - [ 0.0004072600000000, -0.0022904700000000, -0.0000612100000000 ] - [ -0.0013711700000000, -0.0014825700000000, -0.0000030900000000 ] - [ -0.0024007600000000, 0.0046882700000000, -0.0004356500000000 ] - [ -0.0024846300000000, -0.0042582200000000, 0.0009990700000000 ] - [ -0.0017831000000000, 0.0028095000000000, 0.0008327900000000 ] - [ 0.0040154400000000, -0.0109937400000000, -0.0052253600000000 ] - [ 0.0236844100000000, 0.0860945700000000, -0.0288865700000000 ] - [ -0.0006554400000000, -0.0043796000000000, -0.0008824800000000 ] - [ -0.0087605100000000, -0.0030398000000000, 0.0076320000000000 ] - [ -0.0092301800000000, 0.0101554700000000, 0.0001386500000000 ] - [ -0.0010056300000000, -0.0020741200000000, 0.0000624800000000 ] - [ 0.0035310000000000, -0.0010742200000000, -0.0000953200000000 ] - [ 0.0000801100000000, 0.0017042000000000, 0.0002921600000000 ] - [ 0.0039667700000000, 0.0000900500000000, -0.0004417400000000 ] - [ 0.0004052700000000, -0.0027618000000000, -0.0002310100000000 ] - [ -0.0016834600000000, -0.0034209600000000, 0.0008434400000000 ] - [ -0.0006119300000000, -0.0025115000000000, -0.0000578800000000 ] - [ 0.0000111400000000, -0.0024375800000000, -0.0001926600000000 ] - [ 0.0004547400000000, -0.0002540800000000, 0.0001755300000000 ] - [ 0.0005102400000000, -0.0024730800000000, 0.0002535700000000 ] - [ 0.0035832100000000, 0.0042830600000000, -0.0011581000000000 ] - [ 0.0071592900000000, -0.0051258600000000, -0.0071250900000000 ] - [ 0.0003481400000000, -0.0032178300000000, -0.0003230200000000 ] - [ 0.0032691900000000, -0.0094226600000000, 0.0050376400000000 ] - [ 0.0005751600000000, -0.0030678900000000, 0.0001889100000000 ] - [ -0.0001676300000000, -0.0028260700000000, 0.0000312700000000 ] - [ 0.0012786300000000, 0.0015744700000000, 0.0005097500000000 ] - [ 0.0360743400000000, 0.0701215800000000, 0.0242757600000000 ] - [ 0.0012534200000000, 0.0038505000000000, 0.0004829700000000 ] - [ 0.0115869100000000, 0.0255946200000000, 0.0022386200000000 ] - [ -0.1077926900000000, -0.2358481000000000, 0.0182925300000000 ] - [ 0.0001922100000000, 0.0023590100000000, 0.0002413500000000 ] - [ 0.0005432000000000, 0.0014712900000000, -0.0000221700000000 ] - [ 0.0005549400000000, 0.0023643500000000, -0.0000790400000000 ] - [ -0.0029856600000000, 0.0035386700000000, 0.0007711600000000 ] - [ -0.0016921100000000, 0.0270900300000000, -0.0029905500000000 ] - [ -0.0012269600000000, 0.0010771900000000, -0.0004613400000000 ] - [ 0.0005766400000000, 0.0011036600000000, 0.0000986000000000 ] - [ 0.0005558800000000, -0.0055734800000000, 0.0001969300000000 ] - [ 0.0007076400000000, 0.0013173000000000, 0.0000370400000000 ] - [ -0.0006629100000000, 0.0023344900000000, -0.0004627700000000 ] - [ 0.0005965200000000, 0.0027127500000000, 0.0000403100000000 ] - [ -0.0009296200000000, 0.0029147100000000, 0.0003119600000000 ] - [ 0.0007437400000000, 0.0024200900000000, 0.0000735100000000 ] - [ -0.0015470400000000, 0.0016994400000000, -0.0000186600000000 ] - [ -0.0002784300000000, 0.0001494900000000, 0.0002508200000000 ] - [ -0.0001314100000000, 0.0011107600000000, 0.0000183500000000 ] - [ -0.0017249200000000, 0.0002018900000000, -0.0001112800000000 ] - [ -0.0002310400000000, 0.0022751900000000, 0.0002934600000000 ] - [ 0.0008980700000000, 0.0014083700000000, -0.0003015900000000 ] - [ 0.0020918600000000, -0.0025650600000000, 0.0010488200000000 ] - [ 0.0008770500000000, 0.0002197700000000, 0.0001105800000000 ] - [ 0.0024786000000000, 0.0054652200000000, 0.0000151700000000 ] - [ 0.0031880700000000, -0.0053516000000000, 0.0003704600000000 ] - [ 0.0002168600000000, -0.0049105200000000, -0.0018610400000000 ] - [ -0.0001185100000000, 0.0021888700000000, -0.0001737600000000 ] - [ 0.0017664400000000, 0.0020807800000000, -0.0002708800000000 ] - [ 0.0003423600000000, 0.0019971000000000, 0.0001178400000000 ] - [ -0.0043352000000000, 0.0032504800000000, -0.0004226600000000 ] - [ 0.0022883400000000, -0.0011271600000000, -0.0002005900000000 ] - [ -0.0005169400000000, -0.0026815400000000, 0.0004479200000000 ] - [ 0.0180882700000000, -0.0019217300000000, -0.0035502900000000 ] - [ -0.0009779800000000, -0.0023192100000000, -0.0005978600000000 ] - [ 0.0005572400000000, 0.0030210700000000, 0.0002379100000000 ] - [ -0.0076215600000000, -0.0099285400000000, -0.0035527200000000 ] - [ -0.0002360100000000, -0.0011377300000000, 0.0003340300000000 ] - [ -0.0004514300000000, 0.0019032600000000, 0.0004154500000000 ] - [ 0.0039437400000000, -0.0015094100000000, -0.0054730400000000 ] - [ 0.0000261200000000, 0.0016366500000000, 0.0001014400000000 ] - [ -0.0053785300000000, 0.0004882300000000, 0.0009220100000000 ] - [ 0.0013177600000000, 0.0066398200000000, 0.0001894300000000 ] - [ -0.0011870200000000, -0.0003652600000000, -0.0001619600000000 ] - [ 0.0054674000000000, -0.0023168700000000, -0.0012643900000000 ] - [ 0.0008914700000000, 0.0031516100000000, -0.0001547600000000 ] - [ -0.0004470700000000, 0.0022153300000000, 0.0000368800000000 ] - [ -0.0004851900000000, 0.0021297800000000, -0.0000532800000000 ] - [ -0.0005792200000000, 0.0026542700000000, -0.0001783500000000 ] - [ 0.0017453800000000, 0.0013816900000000, 0.0002760800000000 ] - [ 0.0039606100000000, -0.0004528000000000, 0.0058447400000000 ] - [ 0.0005101300000000, 0.0032693200000000, 0.0002611000000000 ] - [ -0.0001828100000000, 0.0022070800000000, 0.0000353600000000 ] - [ 0.0060499200000000, -0.0090657400000000, 0.0021801300000000 ] - [ 0.0009019300000000, 0.0019833400000000, 0.0000673900000000 ] - [ 0.0011421300000000, 0.0019874100000000, 0.0000309300000000 ]- atom: 51 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0073748200000000, -0.0036230000000000, -0.0013742700000000 ] - [ 0.0002510700000000, 0.0025127700000000, 0.0000665600000000 ] - [ -0.0005840800000000, 0.0027514200000000, 0.0000109500000000 ] - [ 0.0002655100000000, 0.0020779500000000, -0.0001275300000000 ] - [ 0.0032685200000000, -0.0012763700000000, 0.0002384200000000 ] - [ -0.0001571000000000, 0.0022916400000000, -0.0000918400000000 ] - [ 0.0026968100000000, 0.0008579100000000, 0.0000153100000000 ] - [ -0.0070324800000000, -0.0030431100000000, 0.0015673500000000 ] - [ 0.0009802900000000, 0.0008066800000000, 0.0001517600000000 ] - [ 0.0032680300000000, -0.0030971200000000, -0.0007553000000000 ] - [ 0.0009652800000000, 0.0008104700000000, -0.0001596200000000 ] - [ -0.0016146400000000, 0.0016494500000000, 0.0012409400000000 ] - [ 0.0031551100000000, -0.0026034200000000, 0.0009088100000000 ] - [ -0.0017397900000000, 0.0016640300000000, -0.0012521500000000 ] - [ 0.0002149700000000, 0.0018038400000000, -0.0001769900000000 ] - [ 0.0002711300000000, 0.0017909700000000, 0.0002097000000000 ] - [ -0.0057875700000000, -0.0520949900000000, 0.0082002500000000 ] - [ -0.0001364200000000, 0.0038577500000000, 0.0000509400000000 ] - [ 0.0005072000000000, 0.0030457300000000, -0.0000418900000000 ] - [ 0.0030688500000000, 0.0035846700000000, 0.0010828800000000 ] - [ 0.0001893700000000, 0.0025522000000000, -0.0001424200000000 ] - [ 0.0015770100000000, 0.0020440100000000, -0.0000463100000000 ] - [ 0.0021659300000000, -0.0047009600000000, 0.0003568000000000 ] - [ 0.0022711500000000, 0.0042131700000000, -0.0008889800000000 ] - [ 0.0019385800000000, -0.0023498400000000, -0.0007661900000000 ] - [ -0.0038688700000000, 0.0105558600000000, 0.0052824200000000 ] - [ -0.0257434300000000, -0.0906080100000000, 0.0314939900000000 ] - [ 0.0002617100000000, 0.0041792600000000, 0.0005016100000000 ] - [ 0.0083721700000000, 0.0028708300000000, -0.0072922700000000 ] - [ 0.0088297000000000, -0.0099745900000000, -0.0005219800000000 ] - [ 0.0015825300000000, 0.0021945400000000, -0.0001744500000000 ] - [ -0.0033454600000000, 0.0010203100000000, 0.0001999700000000 ] - [ 0.0001494800000000, -0.0017404500000000, -0.0003721900000000 ] - [ -0.0035930600000000, -0.0003055200000000, 0.0000649900000000 ] - [ -0.0000115200000000, 0.0029747100000000, -0.0001474400000000 ] - [ 0.0020852300000000, 0.0036449300000000, -0.0005472800000000 ] - [ 0.0000360000000000, 0.0024069700000000, -0.0000537700000000 ] - [ -0.0001570200000000, 0.0019917800000000, 0.0002686700000000 ] - [ -0.0010499700000000, 0.0000101800000000, -0.0003787200000000 ] - [ -0.0001253000000000, 0.0022662800000000, 0.0000486300000000 ] - [ -0.0038777900000000, -0.0042336000000000, 0.0012913800000000 ] - [ -0.0077691000000000, 0.0052086500000000, 0.0070839900000000 ] - [ -0.0001118600000000, 0.0032418500000000, 0.0002427500000000 ] - [ -0.0034938300000000, 0.0100112100000000, -0.0051300500000000 ] - [ -0.0008108800000000, 0.0030569400000000, -0.0002687100000000 ] - [ -0.0000396800000000, 0.0022810200000000, -0.0000813900000000 ] - [ -0.0016595400000000, -0.0013446200000000, -0.0002042300000000 ] - [ -0.0344109100000000, -0.0684532700000000, -0.0227770200000000 ] - [ -0.0017546900000000, -0.0036339200000000, -0.0007313200000000 ] - [ -0.0116676900000000, -0.0250308500000000, -0.0017513200000000 ] - [ 0.1075081800000000, 0.2394459500000000, -0.0236931500000000 ] - [ 0.0000961400000000, -0.0021607100000000, 0.0002371600000000 ] - [ -0.0000337700000000, -0.0015759100000000, -0.0000770700000000 ] - [ -0.0006715400000000, -0.0022021300000000, 0.0000290800000000 ] - [ 0.0029113400000000, -0.0037848400000000, -0.0006938400000000 ] - [ 0.0015931000000000, -0.0277759600000000, 0.0029691500000000 ] - [ 0.0016525400000000, -0.0011271100000000, 0.0004643800000000 ] - [ -0.0005079500000000, -0.0013531300000000, -0.0000255700000000 ] - [ -0.0009671000000000, 0.0056312500000000, -0.0002067400000000 ] - [ -0.0005182900000000, -0.0013709800000000, 0.0001321800000000 ] - [ 0.0007805600000000, -0.0024116800000000, 0.0002626600000000 ] - [ -0.0001806800000000, -0.0026669800000000, -0.0000406800000000 ] - [ 0.0008127300000000, -0.0028462200000000, -0.0005143300000000 ] - [ -0.0007071600000000, -0.0026819700000000, -0.0000026900000000 ] - [ 0.0013365700000000, -0.0009892200000000, 0.0001844600000000 ] - [ -0.0000900500000000, -0.0002389000000000, 0.0003830000000000 ] - [ -0.0004668600000000, -0.0012613900000000, -0.0001838300000000 ] - [ 0.0015201400000000, -0.0002656200000000, 0.0002802700000000 ] - [ 0.0008037100000000, -0.0022994200000000, -0.0001681900000000 ] - [ -0.0001515700000000, -0.0021407200000000, -0.0000715900000000 ] - [ -0.0022092300000000, 0.0025104100000000, -0.0012537200000000 ] - [ -0.0008407000000000, 0.0000488500000000, -0.0000403300000000 ] - [ -0.0021281300000000, -0.0055890600000000, 0.0006194000000000 ] - [ -0.0032389400000000, 0.0051128400000000, -0.0003007400000000 ] - [ -0.0007814200000000, 0.0049188100000000, 0.0019939400000000 ] - [ 0.0007198300000000, -0.0020521900000000, 0.0000092200000000 ] - [ -0.0025130400000000, -0.0013599700000000, -0.0001037500000000 ] - [ -0.0001439800000000, -0.0019473900000000, 0.0000504900000000 ] - [ 0.0051242800000000, -0.0025427900000000, 0.0000549000000000 ] - [ -0.0023918000000000, 0.0013583200000000, 0.0002756400000000 ] - [ 0.0000251100000000, 0.0024285900000000, -0.0006972800000000 ] - [ -0.0187399900000000, 0.0018471100000000, 0.0035099800000000 ] - [ 0.0011063100000000, 0.0024097700000000, 0.0003983600000000 ] - [ -0.0002737000000000, -0.0032324700000000, 0.0002404100000000 ] - [ 0.0069837200000000, 0.0091625500000000, 0.0032744700000000 ] - [ -0.0000576600000000, 0.0009202200000000, 0.0001465800000000 ] - [ 0.0008240400000000, -0.0018289300000000, 0.0002171500000000 ] - [ -0.0042559300000000, 0.0015631100000000, 0.0061190300000000 ] - [ 0.0001809300000000, -0.0023575500000000, 0.0000645400000000 ] - [ 0.0059163600000000, -0.0003778100000000, -0.0010286900000000 ] - [ -0.0017294200000000, -0.0066762700000000, -0.0001913400000000 ] - [ 0.0017729000000000, 0.0003921700000000, 0.0002874300000000 ] - [ -0.0056599500000000, 0.0023509300000000, 0.0014241400000000 ] - [ -0.0003954900000000, -0.0033945700000000, -0.0000941400000000 ] - [ 0.0005191400000000, -0.0019709500000000, 0.0000360300000000 ] - [ 0.0009911400000000, -0.0019021800000000, -0.0001975000000000 ] - [ 0.0000082800000000, -0.0026410600000000, 0.0003046500000000 ] - [ -0.0015532800000000, -0.0006603600000000, -0.0001119200000000 ] - [ -0.0038510400000000, 0.0006057500000000, -0.0058700500000000 ] - [ 0.0000881700000000, -0.0034191100000000, -0.0004294100000000 ] - [ 0.0001408400000000, -0.0019574900000000, 0.0000355700000000 ] - [ -0.0063725600000000, 0.0082909500000000, -0.0020851700000000 ] - [ -0.0007874500000000, -0.0021609100000000, -0.0001167600000000 ] - [ -0.0016515200000000, -0.0018899900000000, -0.0001292300000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0013836500000000, 0.0019776500000000, 0.0012843800000000 ] - [ -0.0000012200000000, 0.0000018900000000, -0.0000089700000000 ] - [ 0.0000399500000000, 0.0001644900000000, -0.0001231100000000 ] - [ 0.0000825900000000, 0.0000174800000000, -0.0001267900000000 ] - [ 0.0002541500000000, -0.0011957500000000, 0.0002453700000000 ] - [ -0.0000038500000000, 0.0001884700000000, -0.0000138700000000 ] - [ -0.0001237600000000, -0.0004300100000000, -0.0001176300000000 ] - [ 0.0014149500000000, -0.0005674900000000, 0.0014856500000000 ] - [ 0.0002069900000000, 0.0001202400000000, -0.0001183600000000 ] - [ -0.0011707800000000, -0.0001730700000000, 0.0021171400000000 ] - [ 0.0001505500000000, 0.0001410500000000, 0.0001355300000000 ] - [ 0.0000109200000000, 0.0001815700000000, -0.0000678100000000 ] - [ -0.0011043200000000, -0.0001777800000000, -0.0020723200000000 ] - [ -0.0000738000000000, 0.0001942900000000, 0.0000862900000000 ] - [ 0.0001510300000000, 0.0000205500000000, 0.0000925200000000 ] - [ 0.0002148000000000, 0.0000187400000000, -0.0000722900000000 ] - [ 0.0226507600000000, -0.0098075700000000, 0.0934344200000000 ] - [ -0.0000738200000000, 0.0003631600000000, 0.0000280900000000 ] - [ 0.0001192900000000, 0.0001426300000000, 0.0000530400000000 ] - [ 0.0004436100000000, 0.0000871300000000, -0.0001269600000000 ] - [ 0.0002843700000000, 0.0002253000000000, -0.0001002200000000 ] - [ -0.0001456800000000, 0.0004027000000000, 0.0000360100000000 ] - [ -0.0014925900000000, -0.0001954700000000, 0.0007738300000000 ] - [ -0.0000508200000000, -0.0001480200000000, -0.0000899000000000 ] - [ -0.0017569300000000, 0.0004402600000000, -0.0006308700000000 ] - [ -0.0000908800000000, -0.0001377300000000, 0.0005406400000000 ] - [ -0.0112157300000000, -0.0239207000000000, 0.0394639000000000 ] - [ -0.0001918000000000, -0.0000408800000000, -0.0001320300000000 ] - [ -0.0007658600000000, -0.0014923200000000, 0.0008696600000000 ] - [ 0.0007414400000000, -0.0020911700000000, -0.0012723800000000 ] - [ 0.0002745500000000, 0.0001471600000000, -0.0000644300000000 ] - [ 0.0001005600000000, 0.0001459800000000, -0.0000286600000000 ] - [ 0.0000352400000000, -0.0002241800000000, -0.0001900900000000 ] - [ 0.0002428100000000, -0.0000889800000000, -0.0000004700000000 ] - [ 0.0002025300000000, 0.0002210600000000, -0.0001919000000000 ] - [ 0.0002347300000000, 0.0002351100000000, 0.0001625500000000 ] - [ -0.0002767200000000, 0.0000530500000000, -0.0000534600000000 ] - [ -0.0000509500000000, -0.0001285600000000, 0.0000773900000000 ] - [ -0.0003476700000000, 0.0000458200000000, -0.0002149800000000 ] - [ 0.0001843700000000, -0.0000069100000000, 0.0001378500000000 ] - [ -0.0071770900000000, 0.0005158000000000, 0.0030642700000000 ] - [ -0.0031764100000000, 0.0004069100000000, 0.0001119500000000 ] - [ 0.0001281300000000, 0.0001176500000000, -0.0000338300000000 ] - [ -0.0001996700000000, 0.0005538900000000, 0.0002592500000000 ] - [ -0.0000459900000000, 0.0001120400000000, -0.0000722100000000 ] - [ -0.0001051600000000, -0.0001704900000000, -0.0000292900000000 ] - [ -0.0003045000000000, 0.0010068000000000, 0.0006619000000000 ] - [ 0.0288674200000000, 0.0177095300000000, 0.0448547800000000 ] - [ -0.0003933000000000, 0.0003766200000000, -0.0003475600000000 ] - [ -0.0020243500000000, -0.0029740000000000, 0.0007287900000000 ] - [ -0.0611071700000000, 0.0205034000000000, -0.2638978800000000 ] - [ 0.0001394800000000, 0.0000156300000000, 0.0002359400000000 ] - [ 0.0002440300000000, -0.0001206400000000, -0.0000507600000000 ] - [ -0.0000724300000000, -0.0000123400000000, -0.0000253200000000 ] - [ -0.0000624900000000, -0.0000712100000000, -0.0000285700000000 ] - [ -0.0003427500000000, 0.0008247100000000, 0.0005694300000000 ] - [ 0.0001937900000000, -0.0000308700000000, -0.0000140500000000 ] - [ 0.0000129300000000, -0.0001926800000000, 0.0000326800000000 ] - [ 0.0007930600000000, 0.0000466900000000, -0.0009701200000000 ] - [ 0.0001002400000000, -0.0001026900000000, 0.0000787000000000 ] - [ 0.0000593600000000, -0.0001296700000000, -0.0000750600000000 ] - [ 0.0001913700000000, -0.0000813300000000, -0.0000011400000000 ] - [ -0.0000537500000000, -0.0000571800000000, -0.0001278400000000 ] - [ -0.0000132900000000, -0.0002193100000000, 0.0000344700000000 ] - [ -0.0001155900000000, 0.0002398100000000, 0.0000968900000000 ] - [ 0.0000723000000000, -0.0004076200000000, 0.0003514700000000 ] - [ -0.0001967500000000, -0.0001720300000000, -0.0000763400000000 ] - [ -0.0000977800000000, -0.0005668000000000, -0.0000196700000000 ] - [ 0.0002967000000000, -0.0000969700000000, 0.0000532000000000 ] - [ 0.0003563800000000, -0.0004380000000000, -0.0001822600000000 ] - [ -0.0003102200000000, 0.0004245900000000, -0.0002541600000000 ] - [ -0.0000963300000000, 0.0000761200000000, 0.0000777600000000 ] - [ 0.0001533300000000, -0.0001163200000000, 0.0003158900000000 ] - [ 0.0007303800000000, -0.0003937800000000, -0.0002013900000000 ] - [ 0.0018746000000000, 0.0012852300000000, 0.0000165100000000 ] - [ 0.0003206500000000, -0.0000202300000000, -0.0000789500000000 ] - [ -0.0002878200000000, 0.0004535900000000, -0.0001576800000000 ] - [ 0.0000843300000000, -0.0000443600000000, 0.0000868300000000 ] - [ 0.0002978300000000, 0.0002601900000000, -0.0002837900000000 ] - [ 0.0029701200000000, 0.0011874700000000, 0.0001846000000000 ] - [ 0.0016619800000000, -0.0016896100000000, 0.0002153900000000 ] - [ -0.0026523100000000, -0.0019981400000000, -0.0029052300000000 ] - [ 0.0004444500000000, 0.0002205000000000, -0.0001339600000000 ] - [ 0.0001161800000000, -0.0002376800000000, 0.0002487900000000 ] - [ 0.0124057800000000, -0.0026213400000000, 0.0117170900000000 ] - [ 0.0002221500000000, -0.0001539000000000, 0.0000436100000000 ] - [ 0.0002144500000000, -0.0000400800000000, 0.0003139700000000 ] - [ 0.0064264000000000, 0.0079981000000000, 0.0337020700000000 ] - [ 0.0001080700000000, -0.0004257900000000, 0.0000825500000000 ] - [ 0.0002274700000000, 0.0001737100000000, 0.0000683500000000 ] - [ -0.0003221300000000, -0.0003752600000000, -0.0000387500000000 ] - [ 0.0004336400000000, -0.0001193600000000, 0.0000044800000000 ] - [ 0.0003608800000000, 0.0006013100000000, 0.0000641400000000 ] - [ 0.0002355100000000, -0.0002287200000000, -0.0001274800000000 ] - [ 0.0000506900000000, 0.0000488800000000, 0.0000377200000000 ] - [ 0.0002552400000000, 0.0000028700000000, -0.0001124400000000 ] - [ -0.0003124100000000, -0.0000000300000000, 0.0000770300000000 ] - [ 0.0000391300000000, 0.0004130800000000, 0.0000485700000000 ] - [ 0.0032161300000000, -0.0084888600000000, 0.0387706000000000 ] - [ 0.0003224400000000, -0.0004310400000000, -0.0003706300000000 ] - [ -0.0001612000000000, -0.0000588200000000, 0.0000340400000000 ] - [ 0.0074769700000000, 0.0032042200000000, -0.0017459500000000 ] - [ 0.0000842300000000, -0.0002023500000000, -0.0000297200000000 ] - [ -0.0002767100000000, 0.0000009500000000, -0.0000584300000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0013955000000000, -0.0021388700000000, -0.0012854900000000 ] - [ 0.0000011300000000, -0.0001319900000000, -0.0000111000000000 ] - [ 0.0001183000000000, -0.0000160100000000, -0.0001302500000000 ] - [ 0.0000759000000000, -0.0001640200000000, -0.0001251700000000 ] - [ -0.0002176800000000, 0.0013522200000000, -0.0002647000000000 ] - [ 0.0000034300000000, -0.0000595600000000, -0.0000060700000000 ] - [ -0.0000349600000000, 0.0005821000000000, -0.0001326300000000 ] - [ -0.0015692700000000, 0.0004120200000000, -0.0017191400000000 ] - [ 0.0002164900000000, -0.0000264600000000, -0.0000457600000000 ] - [ 0.0007659100000000, 0.0000923400000000, -0.0023192700000000 ] - [ 0.0001443300000000, -0.0000508900000000, 0.0000668900000000 ] - [ -0.0003048500000000, -0.0000915800000000, 0.0002755800000000 ] - [ 0.0008173800000000, 0.0000963000000000, 0.0023136200000000 ] - [ -0.0003485300000000, -0.0001008100000000, -0.0002558200000000 ] - [ 0.0001425200000000, -0.0001125900000000, 0.0001126900000000 ] - [ 0.0002069200000000, -0.0001139700000000, -0.0000946800000000 ] - [ -0.0247948800000000, 0.0101584100000000, -0.1017955900000000 ] - [ -0.0000697900000000, 0.0000846100000000, 0.0000438900000000 ] - [ 0.0000894600000000, -0.0000932600000000, 0.0000515400000000 ] - [ 0.0001589000000000, -0.0003378000000000, -0.0000883200000000 ] - [ 0.0003132000000000, 0.0000305000000000, -0.0001036900000000 ] - [ 0.0003564100000000, 0.0001484700000000, -0.0000863700000000 ] - [ 0.0012672200000000, 0.0002103600000000, -0.0008632800000000 ] - [ -0.0001612000000000, 0.0000921300000000, 0.0001858100000000 ] - [ 0.0019180300000000, 0.0000080400000000, 0.0007102400000000 ] - [ 0.0002279000000000, -0.0003034100000000, -0.0004347600000000 ] - [ 0.0112717000000000, 0.0228247300000000, -0.0396115600000000 ] - [ -0.0002009600000000, -0.0001634100000000, -0.0002434300000000 ] - [ 0.0003230500000000, 0.0012316200000000, -0.0006196400000000 ] - [ -0.0011598800000000, 0.0023365300000000, 0.0008981900000000 ] - [ 0.0003044800000000, -0.0000358000000000, -0.0000474600000000 ] - [ 0.0001111000000000, -0.0001968400000000, 0.0001336600000000 ] - [ 0.0001983000000000, 0.0002051600000000, 0.0001119100000000 ] - [ 0.0001374600000000, -0.0001153100000000, -0.0003794400000000 ] - [ 0.0001901000000000, -0.0000163800000000, -0.0001872200000000 ] - [ 0.0001508300000000, -0.0000242600000000, 0.0001449100000000 ] - [ -0.0003020500000000, -0.0001656500000000, -0.0000586500000000 ] - [ -0.0000937600000000, -0.0003194800000000, -0.0000045700000000 ] - [ -0.0002492700000000, -0.0003016900000000, 0.0000127900000000 ] - [ 0.0002039300000000, -0.0002056300000000, 0.0001647400000000 ] - [ 0.0070080600000000, -0.0004672000000000, -0.0029701900000000 ] - [ 0.0025572000000000, -0.0002120100000000, -0.0002826500000000 ] - [ 0.0001087200000000, -0.0001003100000000, -0.0000458700000000 ] - [ -0.0000013000000000, -0.0000126900000000, -0.0002663300000000 ] - [ -0.0001909700000000, -0.0001310500000000, -0.0000088000000000 ] - [ -0.0001050500000000, -0.0003820900000000, -0.0000205000000000 ] - [ -0.0000803000000000, -0.0007976000000000, -0.0003630200000000 ] - [ -0.0284216600000000, -0.0163863900000000, -0.0447976500000000 ] - [ -0.0000949600000000, -0.0001237100000000, 0.0001006300000000 ] - [ 0.0017236900000000, 0.0031189800000000, -0.0002300500000000 ] - [ 0.0624909900000000, -0.0214768800000000, 0.2722140800000000 ] - [ 0.0001486600000000, 0.0001861700000000, 0.0002425100000000 ] - [ 0.0002672200000000, 0.0000221400000000, -0.0000488200000000 ] - [ -0.0000425600000000, 0.0001816400000000, -0.0000247100000000 ] - [ -0.0000068700000000, -0.0001827500000000, 0.0000963500000000 ] - [ 0.0002476800000000, -0.0008732000000000, -0.0006329700000000 ] - [ 0.0002260400000000, -0.0000252400000000, 0.0000124900000000 ] - [ 0.0000557800000000, -0.0000570400000000, 0.0000406200000000 ] - [ -0.0012187300000000, 0.0000042100000000, 0.0009796800000000 ] - [ 0.0000983300000000, 0.0000489700000000, 0.0000893000000000 ] - [ 0.0000574000000000, 0.0000589200000000, -0.0001265100000000 ] - [ 0.0002263300000000, 0.0001350900000000, 0.0000012200000000 ] - [ -0.0000628300000000, 0.0001284600000000, -0.0000736600000000 ] - [ 0.0000500600000000, -0.0000364500000000, 0.0000357800000000 ] - [ -0.0000911900000000, 0.0004757900000000, 0.0000685600000000 ] - [ -0.0004448700000000, 0.0003309900000000, 0.0002807500000000 ] - [ -0.0004040200000000, 0.0000300000000000, -0.0000884900000000 ] - [ -0.0001042900000000, 0.0005164500000000, 0.0001882300000000 ] - [ 0.0002759500000000, 0.0000789300000000, 0.0000724600000000 ] - [ 0.0003935700000000, -0.0002893100000000, -0.0001915000000000 ] - [ 0.0001977700000000, -0.0004991300000000, 0.0000588700000000 ] - [ 0.0001364800000000, 0.0001848000000000, -0.0000077400000000 ] - [ 0.0002218500000000, 0.0000509000000000, 0.0003149900000000 ] - [ -0.0007741900000000, 0.0001392300000000, 0.0002698300000000 ] - [ -0.0024690000000000, -0.0013176500000000, 0.0001020300000000 ] - [ 0.0002799000000000, 0.0001628100000000, -0.0000859100000000 ] - [ -0.0004596000000000, 0.0002751500000000, -0.0002148700000000 ] - [ 0.0001143400000000, 0.0000998100000000, 0.0000816000000000 ] - [ 0.0004466500000000, 0.0004707800000000, -0.0000932400000000 ] - [ -0.0030702100000000, -0.0009519500000000, -0.0001105500000000 ] - [ -0.0021810800000000, 0.0014701200000000, -0.0004716100000000 ] - [ 0.0021992500000000, 0.0019478500000000, 0.0027759000000000 ] - [ -0.0003275800000000, -0.0001476400000000, -0.0000679200000000 ] - [ 0.0001704700000000, 0.0000323200000000, 0.0002295100000000 ] - [ -0.0133665500000000, 0.0019549400000000, -0.0121924000000000 ] - [ -0.0005143700000000, -0.0000510100000000, 0.0004368500000000 ] - [ 0.0001561800000000, 0.0001190100000000, 0.0003185800000000 ] - [ -0.0066514300000000, -0.0075380700000000, -0.0331167000000000 ] - [ 0.0000989300000000, -0.0002890700000000, 0.0000830600000000 ] - [ 0.0003118000000000, -0.0000874800000000, -0.0001619200000000 ] - [ -0.0000961500000000, 0.0003141500000000, 0.0000371600000000 ] - [ 0.0001416200000000, 0.0001392600000000, 0.0001253400000000 ] - [ -0.0005408700000000, -0.0005495500000000, 0.0001084800000000 ] - [ 0.0002664500000000, 0.0000001400000000, -0.0001225800000000 ] - [ 0.0000182900000000, 0.0002017100000000, 0.0000353400000000 ] - [ 0.0002455900000000, 0.0002287800000000, -0.0001371800000000 ] - [ -0.0002603900000000, 0.0000217000000000, 0.0000485000000000 ] - [ 0.0001659700000000, 0.0002975400000000, 0.0001192700000000 ] - [ -0.0031692500000000, 0.0082183600000000, -0.0388825900000000 ] - [ 0.0002779600000000, 0.0002591800000000, 0.0002074000000000 ] - [ 0.0001253200000000, 0.0003165900000000, 0.0000364800000000 ] - [ -0.0077586100000000, -0.0039480200000000, 0.0017744800000000 ] - [ 0.0000308900000000, 0.0000341600000000, -0.0000201900000000 ] - [ -0.0002353300000000, 0.0000975600000000, -0.0000416100000000 ]- atom: 53 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002165200000000, -0.0003810600000000, -0.0000231500000000 ] - [ -0.0082985600000000, 0.0007359900000000, 0.0003888200000000 ] - [ -0.0018213300000000, -0.0005310600000000, -0.0002249400000000 ] - [ 0.0061615500000000, 0.0019302400000000, 0.0000545100000000 ] - [ 0.0002132500000000, -0.0004974000000000, 0.0000121300000000 ] - [ 0.0190829200000000, 0.0026554100000000, -0.0013978800000000 ] - [ -0.0011277000000000, -0.0017383200000000, -0.0001346900000000 ] - [ 0.0003586300000000, 0.0002366700000000, -0.0001704600000000 ] - [ 0.0013611700000000, -0.0002198800000000, -0.0004703800000000 ] - [ -0.0003932300000000, -0.0004635300000000, -0.0001307500000000 ] - [ 0.0012947800000000, -0.0001964000000000, 0.0004921500000000 ] - [ 0.0027798200000000, 0.0031845000000000, 0.0025279600000000 ] - [ -0.0003266100000000, -0.0004609900000000, 0.0001483900000000 ] - [ 0.0025290700000000, 0.0029975800000000, -0.0024823800000000 ] - [ -0.0052794200000000, -0.0012836000000000, 0.0020476400000000 ] - [ -0.0053492100000000, -0.0018834700000000, -0.0021312000000000 ] - [ 0.0001912200000000, -0.0006463200000000, -0.0000388000000000 ] - [ -0.0062360500000000, -0.0069523800000000, -0.0045327900000000 ] - [ 0.0173830600000000, -0.0098144200000000, 0.0046797700000000 ] - [ 0.0009094500000000, -0.0028546900000000, -0.0007694200000000 ] - [ -0.0102135200000000, 0.0085771000000000, 0.0059332200000000 ] - [ -0.0024642900000000, -0.0130119000000000, 0.0033585200000000 ] - [ 0.0000036200000000, -0.0003321800000000, -0.0000149300000000 ] - [ -0.0070895400000000, 0.0017394000000000, -0.0007643100000000 ] - [ 0.0001812000000000, -0.0011046300000000, 0.0001447400000000 ] - [ -0.0016218800000000, 0.0004909200000000, 0.0001157500000000 ] - [ 0.0005656500000000, -0.0005687400000000, -0.0000653800000000 ] - [ -0.0116951000000000, 0.0015179700000000, 0.0001583700000000 ] - [ -0.0010095600000000, -0.0000609700000000, 0.0001495300000000 ] - [ 0.0001194800000000, -0.0004287600000000, -0.0001549900000000 ] - [ -0.0091549100000000, -0.0095539900000000, -0.0072369700000000 ] - [ -0.0011300700000000, 0.0008218900000000, 0.0001265000000000 ] - [ 0.0005189500000000, -0.0003573400000000, 0.0000056000000000 ] - [ -0.0001986700000000, 0.0002519000000000, -0.0000302000000000 ] - [ 0.1501907800000000, 0.0531156100000000, 0.0068755200000000 ] - [ 0.0017436000000000, -0.0039563600000000, 0.0003720600000000 ] - [ 0.1900152300000000, 0.0033543900000000, -0.0144643000000000 ] - [ 0.0011177400000000, 0.0028028600000000, 0.0008819100000000 ] - [ 0.0061474800000000, -0.0034128900000000, -0.0002658500000000 ] - [ -0.0049129100000000, 0.0026733000000000, -0.0000069200000000 ] - [ 0.0004620200000000, -0.0005362500000000, 0.0001369300000000 ] - [ -0.0008755600000000, -0.0007658600000000, -0.0001877500000000 ] - [ -0.0129088000000000, 0.0012033200000000, 0.0081568500000000 ] - [ -0.0014192700000000, -0.0007970700000000, 0.0000151300000000 ] - [ -0.0074857900000000, 0.0131076300000000, -0.0055537400000000 ] - [ 0.0111138700000000, 0.0146700100000000, -0.0073136100000000 ] - [ 0.0033244000000000, -0.0014873500000000, 0.0008420400000000 ] - [ -0.0006788600000000, 0.0000865700000000, -0.0001635400000000 ] - [ 0.0013522400000000, -0.0002878000000000, 0.0002829900000000 ] - [ 0.0003023200000000, -0.0000702900000000, 0.0000788500000000 ] - [ -0.0002160100000000, 0.0003589000000000, -0.0000945000000000 ] - [ 0.0019557500000000, -0.0048954400000000, 0.0002900500000000 ] - [ -0.4501793500000000, -0.0710706700000000, 0.0075816000000000 ] - [ 0.0118397600000000, -0.0010452100000000, -0.0115908400000000 ] - [ 0.0001318400000000, -0.0016399000000000, 0.0000913700000000 ] - [ 0.0001162300000000, 0.0005913800000000, -0.0000561000000000 ] - [ 0.0007327000000000, -0.0011718400000000, -0.0000130700000000 ] - [ -0.0013873700000000, -0.0009241400000000, -0.0001297400000000 ] - [ -0.0005737100000000, 0.0007098400000000, 0.0000296500000000 ] - [ -0.0019999300000000, 0.0009849800000000, 0.0002286500000000 ] - [ 0.0262162100000000, -0.0052801200000000, -0.0065603200000000 ] - [ 0.0064310000000000, 0.0176823200000000, -0.0018089800000000 ] - [ 0.0073680600000000, -0.0047332800000000, 0.0002916600000000 ] - [ 0.0092410800000000, 0.0040443800000000, -0.0013479500000000 ] - [ -0.0045101100000000, -0.0011514200000000, 0.0002360000000000 ] - [ -0.0028884700000000, 0.0041497200000000, 0.0004900100000000 ] - [ -0.0007746500000000, 0.0055629300000000, -0.0001269700000000 ] - [ -0.0029480400000000, -0.0016468400000000, 0.0001069000000000 ] - [ 0.0121668100000000, 0.0087544600000000, 0.0151796000000000 ] - [ -0.0166584300000000, -0.0042015300000000, -0.0005063400000000 ] - [ -0.0001579600000000, 0.0002805700000000, -0.0001925500000000 ] - [ -0.0006675600000000, 0.0006526000000000, 0.0000268100000000 ] - [ 0.0007625500000000, 0.0016647900000000, 0.0003476200000000 ] - [ -0.0000967000000000, 0.0002726700000000, 0.0000242100000000 ] - [ -0.0004228800000000, 0.0003772700000000, 0.0001033700000000 ] - [ 0.0198075100000000, -0.0182387900000000, 0.0023122200000000 ] - [ 0.0067223900000000, 0.0042276400000000, -0.0004777900000000 ] - [ 0.0042821500000000, 0.0012782700000000, 0.0002433200000000 ] - [ 0.0016431500000000, 0.0004198700000000, -0.0001516700000000 ] - [ 0.0000534400000000, 0.0008516100000000, 0.0000222500000000 ] - [ -0.0011354400000000, 0.0008406900000000, -0.0004380900000000 ] - [ -0.0005828100000000, 0.0002730300000000, -0.0000523700000000 ] - [ -0.0000102900000000, 0.0001294600000000, -0.0000336700000000 ] - [ 0.0006034200000000, 0.0045870300000000, 0.0005116500000000 ] - [ -0.0007676400000000, -0.0001579000000000, -0.0001752700000000 ] - [ -0.0016453600000000, 0.0014412600000000, 0.0003972100000000 ] - [ 0.0020322900000000, -0.0055047000000000, 0.0008011400000000 ] - [ 0.0000875500000000, 0.0001712400000000, 0.0003750600000000 ] - [ 0.0084203400000000, -0.0016967200000000, -0.0014526900000000 ] - [ 0.0008689000000000, 0.0001428900000000, -0.0000766800000000 ] - [ 0.0030523100000000, -0.0005975600000000, -0.0005966700000000 ] - [ 0.0003759900000000, -0.0001954700000000, 0.0000489900000000 ] - [ 0.0004711100000000, 0.0005199600000000, 0.0001341100000000 ] - [ -0.0013656000000000, 0.0048893900000000, -0.0004005100000000 ] - [ 0.0054322800000000, 0.0015074300000000, 0.0007409300000000 ] - [ 0.0013418100000000, -0.0015235600000000, -0.0004046000000000 ] - [ 0.0071364200000000, -0.0044898500000000, -0.0004922700000000 ] - [ -0.0010200900000000, 0.0011962500000000, 0.0001779800000000 ] - [ -0.0000104100000000, 0.0006304600000000, -0.0000130800000000 ] - [ 0.0010039900000000, 0.0013260800000000, -0.0000619700000000 ] - [ 0.0005317900000000, -0.0084048300000000, 0.0010890400000000 ] - [ 0.0002684500000000, -0.0001062800000000, 0.0001004300000000 ] - [ 0.0194832000000000, 0.0140482700000000, 0.0043776900000000 ] - [ 0.0119221600000000, 0.0026110600000000, 0.0016385900000000 ]- atom: 53 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002156900000000, 0.0002507400000000, 0.0000027100000000 ] - [ 0.0083103200000000, -0.0008697000000000, -0.0004141100000000 ] - [ 0.0019829500000000, 0.0006747400000000, -0.0000268800000000 ] - [ -0.0060301300000000, -0.0020209800000000, -0.0003067600000000 ] - [ -0.0002124900000000, 0.0006277800000000, -0.0000320600000000 ] - [ -0.0191738600000000, -0.0024034100000000, 0.0014195700000000 ] - [ 0.0009651700000000, 0.0018952700000000, -0.0001166700000000 ] - [ -0.0005150000000000, -0.0003902100000000, -0.0000802600000000 ] - [ -0.0009427000000000, 0.0003179700000000, 0.0003052000000000 ] - [ -0.0000296100000000, 0.0003705000000000, -0.0000371300000000 ] - [ -0.0010045500000000, 0.0002906100000000, -0.0002884400000000 ] - [ -0.0030482600000000, -0.0031156500000000, -0.0023183600000000 ] - [ 0.0000320200000000, 0.0003713600000000, 0.0000578700000000 ] - [ -0.0029280400000000, -0.0029232200000000, 0.0023116400000000 ] - [ 0.0055767600000000, 0.0011832900000000, -0.0018406300000000 ] - [ 0.0057756700000000, 0.0017791200000000, 0.0019623300000000 ] - [ 0.0000181000000000, 0.0000954400000000, -0.0000115000000000 ] - [ 0.0061002100000000, 0.0074078700000000, 0.0046137800000000 ] - [ -0.0170394700000000, 0.0098412300000000, -0.0045751900000000 ] - [ -0.0003089400000000, 0.0025986400000000, 0.0005651900000000 ] - [ 0.0108281100000000, -0.0083364000000000, -0.0061649200000000 ] - [ 0.0026564000000000, 0.0136293700000000, -0.0034396900000000 ] - [ -0.0002424700000000, 0.0003501100000000, -0.0000655100000000 ] - [ 0.0068911200000000, -0.0017773600000000, 0.0008671600000000 ] - [ -0.0000416200000000, 0.0015493200000000, -0.0000691300000000 ] - [ 0.0017856900000000, -0.0009325900000000, -0.0000425400000000 ] - [ 0.0000126600000000, 0.0004569500000000, -0.0000469900000000 ] - [ 0.0113078800000000, -0.0017068200000000, -0.0005372000000000 ] - [ 0.0006242800000000, -0.0001445500000000, 0.0001515900000000 ] - [ -0.0005121500000000, 0.0006335900000000, -0.0002239100000000 ] - [ 0.0097448300000000, 0.0096966600000000, 0.0071796400000000 ] - [ 0.0013385800000000, -0.0008772900000000, -0.0000223000000000 ] - [ -0.0002857000000000, 0.0003398200000000, -0.0000858600000000 ] - [ 0.0005901600000000, -0.0004602600000000, -0.0003491700000000 ] - [ -0.1406121300000000, -0.0482780400000000, -0.0066244900000000 ] - [ -0.0013482200000000, 0.0041688900000000, -0.0000677800000000 ] - [ -0.2042775200000000, -0.0035172900000000, 0.0158161000000000 ] - [ -0.0012735200000000, -0.0032617100000000, -0.0008113800000000 ] - [ -0.0068127400000000, 0.0031531300000000, 0.0000613700000000 ] - [ 0.0053017300000000, -0.0028924600000000, 0.0003169600000000 ] - [ -0.0006696600000000, 0.0005843900000000, -0.0000332600000000 ] - [ 0.0002991100000000, 0.0008775100000000, 0.0000756700000000 ] - [ 0.0131384700000000, -0.0012153600000000, -0.0081927600000000 ] - [ 0.0012155100000000, 0.0013486200000000, -0.0000648800000000 ] - [ 0.0072768400000000, -0.0130345400000000, 0.0054443500000000 ] - [ -0.0114833800000000, -0.0153099500000000, 0.0072916400000000 ] - [ -0.0037291100000000, 0.0016959700000000, -0.0005437500000000 ] - [ 0.0000817800000000, 0.0001721700000000, -0.0000406100000000 ] - [ -0.0018606000000000, 0.0005077300000000, -0.0005346100000000 ] - [ -0.0005934500000000, 0.0002699700000000, 0.0004008600000000 ] - [ -0.0003867300000000, -0.0002178700000000, -0.0000709200000000 ] - [ -0.0016677500000000, 0.0051271800000000, 0.0001904500000000 ] - [ 0.4554907200000000, 0.0660823900000000, -0.0099305200000000 ] - [ -0.0120948500000000, 0.0012425900000000, 0.0117044200000000 ] - [ -0.0002244500000000, 0.0013961800000000, -0.0000181000000000 ] - [ -0.0002329400000000, -0.0007607000000000, 0.0000064500000000 ] - [ -0.0003155400000000, 0.0011251400000000, 0.0000127800000000 ] - [ 0.0014693000000000, 0.0006706100000000, 0.0002037100000000 ] - [ 0.0001574700000000, -0.0006562200000000, -0.0000307200000000 ] - [ 0.0021896500000000, -0.0010484800000000, -0.0000593800000000 ] - [ -0.0257072500000000, 0.0051816300000000, 0.0062559800000000 ] - [ -0.0060606500000000, -0.0175425100000000, 0.0018105500000000 ] - [ -0.0074883700000000, 0.0047909600000000, -0.0005024700000000 ] - [ -0.0091892300000000, -0.0042786700000000, 0.0014080600000000 ] - [ 0.0043200000000000, 0.0019316100000000, -0.0000657800000000 ] - [ 0.0025425900000000, -0.0042458200000000, 0.0001399100000000 ] - [ 0.0002004800000000, -0.0057318000000000, -0.0000424100000000 ] - [ 0.0027533800000000, 0.0016034600000000, 0.0000618200000000 ] - [ -0.0115138300000000, -0.0086293200000000, -0.0148856200000000 ] - [ 0.0174596300000000, 0.0033682600000000, 0.0001184500000000 ] - [ 0.0000426800000000, -0.0003528400000000, -0.0000077900000000 ] - [ 0.0007107700000000, -0.0003998000000000, 0.0000441500000000 ] - [ -0.0003956800000000, -0.0017440500000000, 0.0002865600000000 ] - [ 0.0000575800000000, -0.0005294800000000, 0.0000465200000000 ] - [ -0.0001485400000000, -0.0003951800000000, 0.0000223600000000 ] - [ -0.0193944700000000, 0.0185909300000000, -0.0025382700000000 ] - [ -0.0074865200000000, -0.0035291000000000, 0.0001110200000000 ] - [ -0.0040881500000000, -0.0012169500000000, -0.0000758000000000 ] - [ -0.0008975500000000, 0.0003094000000000, -0.0002216400000000 ] - [ -0.0001220800000000, -0.0006025600000000, 0.0000505600000000 ] - [ 0.0006389300000000, -0.0010705600000000, 0.0001904200000000 ] - [ 0.0000700700000000, -0.0003743000000000, -0.0000468800000000 ] - [ 0.0001279300000000, -0.0000563800000000, -0.0001675400000000 ] - [ -0.0003180600000000, -0.0047820500000000, -0.0000345500000000 ] - [ 0.0000170700000000, -0.0005680900000000, -0.0001987500000000 ] - [ 0.0013714200000000, -0.0016400600000000, 0.0000831100000000 ] - [ -0.0016432000000000, 0.0056000400000000, -0.0001682600000000 ] - [ -0.0004610200000000, -0.0000952400000000, 0.0002580400000000 ] - [ -0.0082280000000000, 0.0009889000000000, 0.0016256600000000 ] - [ -0.0003585100000000, -0.0000402400000000, -0.0000224200000000 ] - [ -0.0034810600000000, 0.0005306700000000, 0.0005975900000000 ] - [ 0.0001972300000000, 0.0002155900000000, 0.0000768300000000 ] - [ -0.0006663900000000, -0.0004695100000000, 0.0000348100000000 ] - [ 0.0018483500000000, -0.0051147300000000, 0.0001542900000000 ] - [ -0.0053757100000000, -0.0012509500000000, -0.0006707100000000 ] - [ -0.0008415100000000, 0.0017608900000000, 0.0001544300000000 ] - [ -0.0077101700000000, 0.0044775600000000, 0.0006253200000000 ] - [ 0.0012221500000000, -0.0004803600000000, -0.0000118300000000 ] - [ 0.0001240900000000, -0.0004607700000000, -0.0000369000000000 ] - [ -0.0004052300000000, -0.0014675800000000, -0.0001029400000000 ] - [ -0.0006322800000000, 0.0086396800000000, -0.0010140700000000 ] - [ -0.0004724200000000, -0.0006116200000000, 0.0000657200000000 ] - [ -0.0196372600000000, -0.0144206100000000, -0.0044998200000000 ] - [ -0.0124608400000000, -0.0025202200000000, -0.0017507600000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000138800000000, -0.0016412000000000, -0.0000678500000000 ] - [ -0.0009206000000000, 0.0041640900000000, 0.0002654400000000 ] - [ -0.0005066500000000, -0.0009405700000000, -0.0001626600000000 ] - [ 0.0028973700000000, -0.0071301000000000, -0.0007901400000000 ] - [ 0.0000456300000000, -0.0017751700000000, 0.0000584700000000 ] - [ 0.0010398300000000, 0.0145347100000000, 0.0031381800000000 ] - [ -0.0006311500000000, -0.0010843300000000, -0.0002008300000000 ] - [ 0.0001060800000000, -0.0019805000000000, -0.0001142500000000 ] - [ 0.0006231000000000, -0.0013643300000000, -0.0000168000000000 ] - [ -0.0002284800000000, -0.0011595000000000, -0.0002993500000000 ] - [ 0.0005577800000000, -0.0013200700000000, 0.0000449200000000 ] - [ 0.0011345800000000, -0.0023829300000000, -0.0003767000000000 ] - [ -0.0001673200000000, -0.0011579500000000, 0.0003079500000000 ] - [ 0.0008682000000000, -0.0020766500000000, 0.0004299000000000 ] - [ -0.0004477900000000, 0.0014303900000000, -0.0007815500000000 ] - [ -0.0004601400000000, 0.0012326200000000, 0.0007947500000000 ] - [ 0.0002953300000000, -0.0021282900000000, -0.0000099700000000 ] - [ -0.0048646300000000, -0.0042672200000000, -0.0044324100000000 ] - [ -0.0030038800000000, 0.0013291600000000, 0.0058527900000000 ] - [ 0.0001717500000000, -0.0026931600000000, -0.0005069700000000 ] - [ 0.0024095100000000, -0.0009020900000000, -0.0021371700000000 ] - [ -0.0021747200000000, -0.0037068000000000, 0.0010627000000000 ] - [ -0.0001706300000000, -0.0018844300000000, -0.0000987100000000 ] - [ -0.0014367300000000, 0.0000557100000000, -0.0000873300000000 ] - [ -0.0000962800000000, -0.0022540200000000, 0.0001056000000000 ] - [ 0.0014526800000000, -0.0014325700000000, -0.0002263200000000 ] - [ 0.0006269700000000, -0.0019419100000000, -0.0000687200000000 ] - [ -0.0019610800000000, 0.0011490300000000, -0.0004827500000000 ] - [ -0.0002634900000000, -0.0014905000000000, 0.0001243200000000 ] - [ -0.0001396600000000, -0.0018962900000000, -0.0001942400000000 ] - [ -0.0019406600000000, 0.0029043200000000, -0.0048290000000000 ] - [ 0.0000868600000000, -0.0012679600000000, 0.0001548300000000 ] - [ 0.0003814000000000, -0.0020079700000000, 0.0001016600000000 ] - [ 0.0001565100000000, -0.0016674600000000, -0.0001532100000000 ] - [ 0.0495002400000000, 0.0517005100000000, 0.0020087000000000 ] - [ 0.0000858600000000, -0.0028250700000000, 0.0006542700000000 ] - [ 0.0025551000000000, 0.0312963500000000, -0.0011691900000000 ] - [ 0.0009362800000000, -0.0013324200000000, -0.0000161600000000 ] - [ -0.0020537800000000, -0.0029752700000000, -0.0006597500000000 ] - [ 0.0005743700000000, -0.0011131900000000, 0.0005405000000000 ] - [ 0.0001580700000000, -0.0021100600000000, 0.0000820100000000 ] - [ -0.0002180300000000, -0.0019073400000000, -0.0001065600000000 ] - [ -0.0027827400000000, 0.0063225400000000, -0.0014034300000000 ] - [ -0.0007240000000000, -0.0017301600000000, -0.0000008800000000 ] - [ 0.0030591900000000, 0.0063619200000000, -0.0006023200000000 ] - [ 0.0075049800000000, 0.0086868200000000, 0.0037300300000000 ] - [ -0.0004315200000000, -0.0023692300000000, 0.0001216900000000 ] - [ -0.0004155500000000, -0.0014899000000000, -0.0000798200000000 ] - [ -0.0002966200000000, 0.0009946900000000, -0.0001641300000000 ] - [ -0.0004262400000000, 0.0015678700000000, 0.0003244800000000 ] - [ -0.0000492700000000, 0.0015969100000000, -0.0001531100000000 ] - [ -0.0006123800000000, 0.0008624100000000, 0.0002812900000000 ] - [ -0.0695094400000000, -0.0932531600000000, -0.0052679300000000 ] - [ 0.0023263700000000, -0.0099370700000000, -0.0028511200000000 ] - [ -0.0014315400000000, 0.0012804600000000, 0.0000579300000000 ] - [ -0.0002996400000000, 0.0016950400000000, -0.0000167200000000 ] - [ -0.0000830900000000, 0.0012330000000000, -0.0000655600000000 ] - [ -0.0006359500000000, 0.0013679900000000, 0.0000460700000000 ] - [ -0.0004561100000000, 0.0018790100000000, 0.0000195300000000 ] - [ -0.0004188700000000, 0.0018168200000000, -0.0000466800000000 ] - [ -0.0010950400000000, -0.0071554800000000, 0.0013480300000000 ] - [ 0.0146274700000000, 0.0102975200000000, -0.0020807500000000 ] - [ 0.0009621600000000, -0.0033026500000000, -0.0008323900000000 ] - [ 0.0006255200000000, -0.0030089900000000, 0.0004649300000000 ] - [ -0.0003883500000000, 0.0031071000000000, 0.0007214800000000 ] - [ 0.0001888600000000, 0.0016921200000000, 0.0001773300000000 ] - [ 0.0013676500000000, 0.0003649000000000, -0.0002104400000000 ] - [ 0.0000365000000000, 0.0017978400000000, 0.0000970300000000 ] - [ 0.0061569400000000, -0.0072201400000000, 0.0028290500000000 ] - [ -0.0039848200000000, 0.0019069200000000, 0.0016323100000000 ] - [ 0.0002236700000000, 0.0015159200000000, -0.0003859000000000 ] - [ -0.0007492800000000, 0.0019594600000000, 0.0000280700000000 ] - [ 0.0010060200000000, 0.0016992300000000, 0.0002136800000000 ] - [ -0.0004370300000000, 0.0014166400000000, 0.0000302600000000 ] - [ -0.0000684300000000, 0.0014895300000000, 0.0002170400000000 ] - [ -0.0118370200000000, -0.0018249400000000, -0.0020636600000000 ] - [ 0.0020507900000000, 0.0014923600000000, -0.0001973000000000 ] - [ -0.0000214000000000, -0.0001876700000000, 0.0000812700000000 ] - [ 0.0005366800000000, 0.0013021800000000, -0.0001572100000000 ] - [ 0.0004456500000000, 0.0014316000000000, 0.0000106500000000 ] - [ -0.0003496200000000, 0.0020072500000000, 0.0000014000000000 ] - [ -0.0005785900000000, 0.0011071100000000, -0.0000276100000000 ] - [ 0.0002932100000000, 0.0014578800000000, 0.0001711500000000 ] - [ 0.0007561200000000, 0.0033557900000000, 0.0006092300000000 ] - [ -0.0008151900000000, 0.0010139100000000, -0.0002778000000000 ] - [ 0.0003451500000000, 0.0020636300000000, 0.0002638900000000 ] - [ -0.0013553800000000, -0.0006820200000000, -0.0001286600000000 ] - [ 0.0001537100000000, 0.0012810000000000, 0.0003680500000000 ] - [ -0.0009999700000000, -0.0023131000000000, 0.0007088400000000 ] - [ 0.0001636700000000, 0.0010524900000000, -0.0000699100000000 ] - [ -0.0000495900000000, -0.0002561700000000, -0.0002920200000000 ] - [ 0.0004154800000000, 0.0011784600000000, -0.0000786100000000 ] - [ -0.0002752800000000, 0.0011388400000000, 0.0001231800000000 ] - [ 0.0012703300000000, 0.0016863600000000, -0.0006712000000000 ] - [ 0.0031284400000000, 0.0000736000000000, 0.0008694900000000 ] - [ -0.0000051000000000, 0.0009508800000000, -0.0000011700000000 ] - [ -0.0001473100000000, -0.0016479600000000, 0.0005553400000000 ] - [ -0.0000671900000000, 0.0019837200000000, 0.0001160900000000 ] - [ -0.0003170900000000, 0.0018776500000000, -0.0000231300000000 ] - [ 0.0009646100000000, 0.0018689000000000, -0.0000333500000000 ] - [ -0.0057914700000000, 0.0012643500000000, 0.0001094600000000 ] - [ -0.0000305200000000, 0.0009051000000000, 0.0000943300000000 ] - [ 0.0120467300000000, -0.0000435100000000, 0.0028776100000000 ] - [ 0.0023168400000000, -0.0009631500000000, 0.0011441800000000 ]- atom: 53 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000131100000000, 0.0015096000000000, 0.0000475200000000 ] - [ 0.0009150300000000, -0.0042887800000000, -0.0002858100000000 ] - [ 0.0006604300000000, 0.0010875000000000, -0.0000888200000000 ] - [ -0.0027078800000000, 0.0069316000000000, 0.0005325700000000 ] - [ -0.0000449700000000, 0.0019018500000000, -0.0000782000000000 ] - [ -0.0009862200000000, -0.0144095400000000, -0.0031858400000000 ] - [ 0.0004744400000000, 0.0012265300000000, -0.0000505700000000 ] - [ -0.0002651600000000, 0.0018325400000000, -0.0001362200000000 ] - [ -0.0001999200000000, 0.0014563300000000, -0.0001506700000000 ] - [ -0.0001922600000000, 0.0010633900000000, 0.0001320700000000 ] - [ -0.0002629800000000, 0.0014089200000000, 0.0001609900000000 ] - [ -0.0014403500000000, 0.0024800400000000, 0.0005816000000000 ] - [ -0.0001251200000000, 0.0010652600000000, -0.0001022900000000 ] - [ -0.0012988700000000, 0.0021721200000000, -0.0005959500000000 ] - [ 0.0007344000000000, -0.0015138700000000, 0.0009854300000000 ] - [ 0.0008730700000000, -0.0013192800000000, -0.0009597800000000 ] - [ -0.0000893400000000, 0.0015743600000000, -0.0000399600000000 ] - [ 0.0046969600000000, 0.0046971800000000, 0.0044775800000000 ] - [ 0.0032300100000000, -0.0012671200000000, -0.0057083000000000 ] - [ 0.0004257900000000, 0.0024292300000000, 0.0003008700000000 ] - [ -0.0018254800000000, 0.0011775700000000, 0.0019448300000000 ] - [ 0.0023963100000000, 0.0042366200000000, -0.0011036000000000 ] - [ -0.0000655400000000, 0.0018999100000000, 0.0000183900000000 ] - [ 0.0012228200000000, -0.0001100800000000, 0.0001920100000000 ] - [ 0.0002409000000000, 0.0027001900000000, -0.0000317000000000 ] - [ -0.0013124100000000, 0.0009808000000000, 0.0003001200000000 ] - [ -0.0000495800000000, 0.0018275300000000, -0.0000433400000000 ] - [ 0.0015606200000000, -0.0013579200000000, 0.0001036600000000 ] - [ -0.0001244200000000, 0.0012752400000000, 0.0001789500000000 ] - [ -0.0002516900000000, 0.0020994900000000, -0.0001847200000000 ] - [ 0.0025080900000000, -0.0028229400000000, 0.0047053100000000 ] - [ 0.0001188800000000, 0.0012192100000000, -0.0000502000000000 ] - [ -0.0001425300000000, 0.0019874500000000, -0.0001815800000000 ] - [ 0.0002353900000000, 0.0014615700000000, -0.0002251900000000 ] - [ -0.0475865600000000, -0.0515066900000000, -0.0022850000000000 ] - [ 0.0003031500000000, 0.0030267000000000, -0.0003466000000000 ] - [ -0.0024063200000000, -0.0313964800000000, 0.0009977600000000 ] - [ -0.0010726700000000, 0.0008915700000000, 0.0000921100000000 ] - [ 0.0014671200000000, 0.0027203200000000, 0.0004562600000000 ] - [ -0.0001928800000000, 0.0009078900000000, -0.0002374400000000 ] - [ -0.0003647000000000, 0.0021589700000000, 0.0000220500000000 ] - [ -0.0003605300000000, 0.0020158700000000, -0.0000059100000000 ] - [ 0.0030166800000000, -0.0062911200000000, 0.0013118600000000 ] - [ 0.0005130500000000, 0.0022780500000000, -0.0000488100000000 ] - [ -0.0032933700000000, -0.0063954500000000, 0.0005314800000000 ] - [ -0.0076869000000000, -0.0091974000000000, -0.0037870500000000 ] - [ 0.0000473900000000, 0.0025813300000000, 0.0001814300000000 ] - [ -0.0001829100000000, 0.0017437400000000, -0.0001241300000000 ] - [ -0.0002007600000000, -0.0007599900000000, -0.0000846100000000 ] - [ 0.0001402400000000, -0.0013626300000000, 0.0001538000000000 ] - [ -0.0005511600000000, -0.0014528400000000, -0.0000123100000000 ] - [ 0.0008986200000000, -0.0006719900000000, 0.0001957100000000 ] - [ 0.0675586300000000, 0.0930466300000000, 0.0051965200000000 ] - [ -0.0024330600000000, 0.0101418200000000, 0.0028090100000000 ] - [ 0.0013612900000000, -0.0015286800000000, 0.0000158300000000 ] - [ 0.0001847300000000, -0.0018617600000000, -0.0000332100000000 ] - [ 0.0004990100000000, -0.0012868100000000, 0.0000640800000000 ] - [ 0.0007028800000000, -0.0016131800000000, 0.0000270800000000 ] - [ 0.0000396200000000, -0.0018249500000000, -0.0000203900000000 ] - [ 0.0006089700000000, -0.0018670100000000, 0.0002143100000000 ] - [ 0.0012232600000000, 0.0070539300000000, -0.0015510900000000 ] - [ -0.0140082200000000, -0.0100749600000000, 0.0020001300000000 ] - [ -0.0010755800000000, 0.0033748800000000, 0.0006308800000000 ] - [ -0.0005796100000000, 0.0027433000000000, -0.0003907200000000 ] - [ 0.0001893700000000, -0.0023885600000000, -0.0005623900000000 ] - [ -0.0005661100000000, -0.0017648300000000, 0.0004551900000000 ] - [ -0.0019790600000000, -0.0004980600000000, 0.0000486000000000 ] - [ -0.0002276200000000, -0.0018514200000000, 0.0000714900000000 ] - [ -0.0055426300000000, 0.0071790800000000, -0.0026658200000000 ] - [ 0.0046854100000000, -0.0026266500000000, -0.0019879400000000 ] - [ -0.0003396700000000, -0.0015866200000000, 0.0001845600000000 ] - [ 0.0007905800000000, -0.0017010200000000, 0.0000430300000000 ] - [ -0.0006332800000000, -0.0017724300000000, 0.0004192400000000 ] - [ 0.0003928900000000, -0.0016695700000000, 0.0000406400000000 ] - [ -0.0005031700000000, -0.0015061300000000, -0.0000910100000000 ] - [ 0.0123801100000000, 0.0019405500000000, 0.0018800400000000 ] - [ -0.0027949100000000, -0.0007578700000000, -0.0001778900000000 ] - [ 0.0002175800000000, 0.0002377200000000, 0.0000875600000000 ] - [ 0.0002140100000000, -0.0005744500000000, -0.0002168300000000 ] - [ -0.0005203400000000, -0.0011802200000000, 0.0000626500000000 ] - [ -0.0001506300000000, -0.0022359000000000, -0.0002509400000000 ] - [ 0.0000669200000000, -0.0012083100000000, -0.0000716400000000 ] - [ -0.0001776700000000, -0.0013835400000000, -0.0003716700000000 ] - [ -0.0004652300000000, -0.0035402500000000, -0.0001289100000000 ] - [ 0.0000670600000000, -0.0017403200000000, -0.0000964300000000 ] - [ -0.0006341200000000, -0.0022638400000000, 0.0002140900000000 ] - [ 0.0017257800000000, 0.0007491800000000, 0.0007634900000000 ] - [ -0.0005227400000000, -0.0012007900000000, 0.0002652000000000 ] - [ 0.0012110700000000, 0.0015876800000000, -0.0005436500000000 ] - [ 0.0003487300000000, -0.0009481300000000, -0.0000294500000000 ] - [ -0.0003628100000000, 0.0002083900000000, 0.0002910200000000 ] - [ 0.0001558500000000, -0.0011598700000000, 0.0002045200000000 ] - [ 0.0000814300000000, -0.0010822300000000, 0.0000455400000000 ] - [ -0.0007705700000000, -0.0019134100000000, 0.0004192700000000 ] - [ -0.0030324100000000, 0.0001735000000000, -0.0007882700000000 ] - [ 0.0005048800000000, -0.0007243400000000, -0.0002475700000000 ] - [ -0.0004200400000000, 0.0016692400000000, -0.0004327000000000 ] - [ 0.0002683900000000, -0.0012620800000000, 0.0000504800000000 ] - [ 0.0004319300000000, -0.0017051400000000, -0.0000269000000000 ] - [ -0.0003610500000000, -0.0020056300000000, -0.0001320100000000 ] - [ 0.0057748500000000, -0.0010095700000000, -0.0000343900000000 ] - [ -0.0001723100000000, -0.0016208600000000, 0.0000719700000000 ] - [ -0.0120055600000000, -0.0001413000000000, -0.0029516700000000 ] - [ -0.0028158000000000, 0.0010724100000000, -0.0012427500000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000069000000000, -0.0000998700000000, -0.0000128300000000 ] - [ 0.0003276300000000, 0.0002746600000000, 0.0003283000000000 ] - [ 0.0001373300000000, 0.0000388900000000, -0.0001075200000000 ] - [ 0.0000486000000000, -0.0005423600000000, 0.0002809100000000 ] - [ -0.0000087700000000, 0.0000362500000000, -0.0000085800000000 ] - [ -0.0011747900000000, 0.0060143700000000, 0.0173275000000000 ] - [ -0.0000414500000000, 0.0001881000000000, -0.0001801300000000 ] - [ -0.0000808400000000, -0.0001364900000000, -0.0001287800000000 ] - [ 0.0001975600000000, -0.0000027300000000, -0.0001327600000000 ] - [ -0.0001998000000000, -0.0000697200000000, -0.0000747000000000 ] - [ 0.0001481200000000, -0.0000209500000000, 0.0001532500000000 ] - [ 0.0001521100000000, -0.0003157600000000, 0.0002118500000000 ] - [ -0.0001357100000000, -0.0000680000000000, 0.0000938000000000 ] - [ -0.0001401900000000, 0.0000360300000000, -0.0002182600000000 ] - [ 0.0000105500000000, -0.0004995600000000, 0.0006693500000000 ] - [ 0.0002740500000000, -0.0004299600000000, -0.0006250000000000 ] - [ 0.0001072800000000, -0.0003083800000000, -0.0000158100000000 ] - [ 0.0005394000000000, 0.0005608500000000, 0.0021711800000000 ] - [ 0.0021094500000000, -0.0019284700000000, -0.0041962000000000 ] - [ 0.0002158500000000, -0.0000006400000000, 0.0001189800000000 ] - [ 0.0000987100000000, 0.0007196600000000, 0.0018672600000000 ] - [ 0.0006484100000000, -0.0007098500000000, 0.0011650700000000 ] - [ -0.0001224500000000, -0.0000313900000000, -0.0000377700000000 ] - [ -0.0003364900000000, -0.0000189600000000, 0.0003224500000000 ] - [ 0.0000724000000000, 0.0002148800000000, 0.0000006400000000 ] - [ 0.0002100700000000, -0.0001932700000000, -0.0001199100000000 ] - [ 0.0002899100000000, -0.0000883300000000, -0.0000657800000000 ] - [ 0.0007855200000000, 0.0002018000000000, -0.0005847000000000 ] - [ -0.0001981800000000, -0.0001396700000000, 0.0001878900000000 ] - [ -0.0002054300000000, 0.0000673400000000, -0.0001969200000000 ] - [ 0.0008565700000000, 0.0051485700000000, -0.0032589000000000 ] - [ 0.0001347900000000, -0.0001259100000000, -0.0000094700000000 ] - [ 0.0001159100000000, -0.0000560900000000, -0.0000449500000000 ] - [ 0.0002160200000000, -0.0001463900000000, -0.0001667100000000 ] - [ 0.0054675100000000, 0.0016052900000000, 0.0258764200000000 ] - [ 0.0000357900000000, -0.0000351800000000, -0.0003812300000000 ] - [ -0.0126013500000000, -0.0009069000000000, 0.0261349400000000 ] - [ -0.0000267000000000, -0.0002485400000000, 0.0002226500000000 ] - [ -0.0009648900000000, -0.0000898200000000, -0.0006144000000000 ] - [ 0.0003702800000000, -0.0003459700000000, -0.0002959600000000 ] - [ -0.0001142800000000, -0.0000174600000000, 0.0000625700000000 ] - [ -0.0002622600000000, 0.0000450800000000, -0.0000245600000000 ] - [ -0.0026899700000000, 0.0044786000000000, -0.0045253100000000 ] - [ -0.0000723000000000, 0.0002419300000000, -0.0000880400000000 ] - [ -0.0000131500000000, -0.0017239700000000, 0.0019255700000000 ] - [ -0.0019712200000000, -0.0025587300000000, -0.0043039300000000 ] - [ -0.0002760400000000, 0.0000395100000000, 0.0002398700000000 ] - [ -0.0002951900000000, 0.0001023800000000, -0.0001151800000000 ] - [ -0.0002075500000000, 0.0002004100000000, -0.0001204900000000 ] - [ -0.0001681900000000, 0.0000923700000000, 0.0002550200000000 ] - [ -0.0002999100000000, 0.0000951200000000, -0.0000832500000000 ] - [ 0.0002105200000000, -0.0003451600000000, 0.0001493100000000 ] - [ 0.0088595200000000, -0.0048830800000000, -0.0800934100000000 ] - [ -0.0110957100000000, -0.0015297900000000, 0.0077740400000000 ] - [ -0.0001594400000000, -0.0000533100000000, 0.0000172700000000 ] - [ -0.0000684400000000, -0.0000423000000000, -0.0000245600000000 ] - [ 0.0002058800000000, -0.0000398300000000, -0.0000084400000000 ] - [ 0.0000511200000000, -0.0001105200000000, 0.0000060700000000 ] - [ -0.0002011700000000, 0.0000410300000000, 0.0000001900000000 ] - [ 0.0001172900000000, 0.0001539100000000, 0.0001906300000000 ] - [ -0.0062369200000000, 0.0006916500000000, -0.0005072500000000 ] - [ -0.0038105600000000, -0.0049710500000000, -0.0024202700000000 ] - [ 0.0000862200000000, -0.0004436300000000, -0.0003916300000000 ] - [ 0.0014980300000000, -0.0002839500000000, 0.0012473700000000 ] - [ -0.0000477200000000, 0.0006382300000000, 0.0000811400000000 ] - [ -0.0001083400000000, 0.0000662200000000, 0.0002871800000000 ] - [ -0.0003226000000000, -0.0010418400000000, 0.0000303100000000 ] - [ -0.0000926500000000, 0.0000682400000000, 0.0000526000000000 ] - [ 0.0126554300000000, 0.0027614700000000, 0.0090059900000000 ] - [ 0.0001667700000000, 0.0007984100000000, 0.0112978400000000 ] - [ -0.0000480200000000, -0.0000009800000000, -0.0001082200000000 ] - [ -0.0000005800000000, 0.0001888700000000, 0.0000334200000000 ] - [ 0.0002511600000000, 0.0000698600000000, 0.0003173600000000 ] - [ -0.0000317600000000, -0.0000952100000000, 0.0000349400000000 ] - [ -0.0002764100000000, 0.0000208800000000, 0.0000661500000000 ] - [ 0.0060704200000000, -0.0034607900000000, -0.0029033500000000 ] - [ 0.0000504000000000, 0.0007397200000000, -0.0003551600000000 ] - [ 0.0000944900000000, 0.0002534100000000, 0.0000846300000000 ] - [ 0.0003275900000000, 0.0004167600000000, -0.0001715900000000 ] - [ -0.0000279000000000, 0.0001277100000000, 0.0000412400000000 ] - [ -0.0002419500000000, -0.0000622000000000, -0.0001155800000000 ] - [ -0.0002519000000000, -0.0000292300000000, -0.0000471600000000 ] - [ 0.0000591500000000, 0.0000648700000000, -0.0000933600000000 ] - [ 0.0000864700000000, -0.0007898000000000, 0.0000925500000000 ] - [ -0.0003746700000000, -0.0003347600000000, -0.0001917600000000 ] - [ -0.0000323400000000, -0.0001877100000000, 0.0002493600000000 ] - [ -0.0000795400000000, 0.0010927900000000, 0.0000451100000000 ] - [ -0.0001792600000000, 0.0000707300000000, 0.0003168900000000 ] - [ 0.0006767200000000, -0.0002332600000000, -0.0003370800000000 ] - [ 0.0002289000000000, 0.0000668800000000, -0.0000576000000000 ] - [ -0.0003980400000000, -0.0003715200000000, -0.0000871700000000 ] - [ 0.0002887800000000, 0.0000688000000000, 0.0000558400000000 ] - [ -0.0001076000000000, 0.0000697800000000, 0.0000794700000000 ] - [ 0.0001497700000000, 0.0009866300000000, -0.0003792000000000 ] - [ -0.0003494400000000, 0.0002190800000000, -0.0003300700000000 ] - [ 0.0001820900000000, 0.0003381900000000, -0.0001375300000000 ] - [ -0.0009077400000000, 0.0004929400000000, 0.0001460400000000 ] - [ 0.0001701700000000, 0.0003553900000000, 0.0000555700000000 ] - [ 0.0000521400000000, 0.0001013000000000, -0.0000261700000000 ] - [ 0.0002533400000000, -0.0001545800000000, -0.0000909800000000 ] - [ -0.0000143900000000, 0.0000563300000000, -0.0006363600000000 ] - [ -0.0001100900000000, -0.0003341500000000, 0.0000844200000000 ] - [ 0.0037631400000000, 0.0013763700000000, -0.0015668500000000 ] - [ -0.0019499600000000, -0.0011405600000000, 0.0003603700000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000075900000000, -0.0000235400000000, -0.0000071300000000 ] - [ -0.0003314200000000, -0.0004192100000000, -0.0003455600000000 ] - [ 0.0000220200000000, 0.0001144700000000, -0.0001434900000000 ] - [ 0.0001034300000000, 0.0004321200000000, -0.0005283200000000 ] - [ 0.0000089000000000, 0.0001010800000000, -0.0000114600000000 ] - [ 0.0013542200000000, -0.0064233000000000, -0.0175839000000000 ] - [ -0.0001127400000000, -0.0000421100000000, -0.0000715900000000 ] - [ -0.0000807200000000, 0.0000016100000000, -0.0001217600000000 ] - [ 0.0002238700000000, 0.0001018900000000, -0.0000366900000000 ] - [ -0.0002206300000000, -0.0000210900000000, -0.0000908400000000 ] - [ 0.0001451200000000, 0.0001166500000000, 0.0000545700000000 ] - [ -0.0004686600000000, 0.0004211200000000, -0.0000223800000000 ] - [ -0.0001564300000000, -0.0000195200000000, 0.0001101900000000 ] - [ -0.0003063900000000, 0.0000751700000000, 0.0000664800000000 ] - [ 0.0002813600000000, 0.0004061300000000, -0.0004606900000000 ] - [ 0.0001468000000000, 0.0003345600000000, 0.0004551000000000 ] - [ 0.0000976500000000, -0.0002352500000000, -0.0000340600000000 ] - [ -0.0006681100000000, -0.0000917700000000, -0.0020744500000000 ] - [ -0.0019407900000000, 0.0019389000000000, 0.0042794300000000 ] - [ 0.0003809100000000, -0.0002457100000000, -0.0003209400000000 ] - [ 0.0004758900000000, -0.0004403800000000, -0.0020461300000000 ] - [ -0.0004291900000000, 0.0012334100000000, -0.0012017100000000 ] - [ -0.0001139100000000, 0.0000577100000000, -0.0000420100000000 ] - [ 0.0001253100000000, -0.0000363500000000, -0.0002173200000000 ] - [ 0.0000737400000000, 0.0002464800000000, 0.0000710600000000 ] - [ -0.0000831700000000, -0.0002525500000000, 0.0001952500000000 ] - [ 0.0002854400000000, -0.0000156500000000, -0.0000461900000000 ] - [ -0.0011831200000000, -0.0004164600000000, 0.0002063200000000 ] - [ -0.0001904600000000, -0.0000696900000000, 0.0001160400000000 ] - [ -0.0001861800000000, 0.0001471500000000, -0.0001821900000000 ] - [ -0.0002713700000000, -0.0050661900000000, 0.0031295100000000 ] - [ 0.0000719400000000, 0.0000829800000000, 0.0001132100000000 ] - [ 0.0001219400000000, 0.0000456600000000, -0.0000355600000000 ] - [ 0.0001760800000000, -0.0000511900000000, -0.0002119600000000 ] - [ -0.0054839900000000, -0.0016690900000000, -0.0264207100000000 ] - [ 0.0003482900000000, 0.0002579200000000, 0.0006813700000000 ] - [ 0.0125580800000000, 0.0007084500000000, -0.0265019200000000 ] - [ -0.0001164900000000, -0.0001891000000000, -0.0001470500000000 ] - [ 0.0004215800000000, -0.0001504000000000, 0.0004107500000000 ] - [ 0.0000147800000000, 0.0001426200000000, 0.0005950700000000 ] - [ -0.0000938800000000, 0.0000785700000000, 0.0000415200000000 ] - [ -0.0003165900000000, 0.0000749500000000, -0.0000873200000000 ] - [ 0.0029249300000000, -0.0044867100000000, 0.0044294000000000 ] - [ -0.0001351800000000, 0.0003175700000000, 0.0000376800000000 ] - [ -0.0002423100000000, 0.0016696600000000, -0.0019953200000000 ] - [ 0.0018193200000000, 0.0019837600000000, 0.0042274700000000 ] - [ -0.0001018800000000, 0.0001828700000000, 0.0000667900000000 ] - [ -0.0003023900000000, 0.0001596600000000, -0.0000889100000000 ] - [ -0.0002879800000000, 0.0000310200000000, -0.0001267200000000 ] - [ -0.0001154100000000, 0.0001044500000000, 0.0002222500000000 ] - [ -0.0003017600000000, 0.0000404200000000, -0.0000816200000000 ] - [ 0.0000792600000000, 0.0005347800000000, 0.0003288600000000 ] - [ -0.0086346500000000, 0.0055793700000000, 0.0805837100000000 ] - [ 0.0108790500000000, 0.0017187800000000, -0.0078150200000000 ] - [ 0.0001080800000000, -0.0002064500000000, 0.0000549300000000 ] - [ -0.0000451200000000, -0.0001343900000000, -0.0000253300000000 ] - [ 0.0002116500000000, -0.0000205500000000, 0.0000077800000000 ] - [ 0.0000197800000000, -0.0001459300000000, 0.0000670400000000 ] - [ -0.0002144200000000, 0.0000025100000000, -0.0000008400000000 ] - [ 0.0000814000000000, -0.0002109300000000, -0.0000216100000000 ] - [ 0.0063866200000000, -0.0007459300000000, 0.0003159200000000 ] - [ 0.0041909000000000, 0.0050137000000000, 0.0024559600000000 ] - [ -0.0001979100000000, 0.0005286900000000, 0.0001934500000000 ] - [ -0.0014566900000000, 0.0000368000000000, -0.0011727300000000 ] - [ -0.0001663600000000, -0.0000023700000000, 0.0000884000000000 ] - [ -0.0002780500000000, -0.0001390300000000, 0.0003516600000000 ] - [ -0.0003012400000000, 0.0009087100000000, -0.0002003200000000 ] - [ -0.0001010600000000, -0.0001335700000000, 0.0001162200000000 ] - [ -0.0119937000000000, -0.0027170600000000, -0.0088755100000000 ] - [ 0.0005595300000000, -0.0014007500000000, -0.0116878900000000 ] - [ -0.0000700100000000, -0.0000779700000000, -0.0000916400000000 ] - [ 0.0000423200000000, 0.0000606300000000, 0.0000375300000000 ] - [ 0.0001184000000000, -0.0001536800000000, 0.0003157800000000 ] - [ -0.0000071400000000, -0.0001667900000000, 0.0000358200000000 ] - [ -0.0002968900000000, -0.0000464500000000, 0.0000588900000000 ] - [ -0.0054189300000000, 0.0035998300000000, 0.0027784700000000 ] - [ -0.0008003600000000, -0.0000040500000000, -0.0000213500000000 ] - [ 0.0001011000000000, -0.0002010600000000, 0.0000841700000000 ] - [ 0.0004214800000000, 0.0003059200000000, -0.0002021200000000 ] - [ -0.0000486700000000, 0.0001170700000000, 0.0000327300000000 ] - [ -0.0002590400000000, -0.0001781300000000, -0.0001351500000000 ] - [ -0.0002575200000000, -0.0000766500000000, -0.0000520900000000 ] - [ 0.0000553500000000, 0.0000012200000000, -0.0001086200000000 ] - [ 0.0002007700000000, 0.0005756000000000, 0.0003851600000000 ] - [ -0.0003710800000000, -0.0003998900000000, -0.0001814900000000 ] - [ -0.0002666100000000, -0.0000282800000000, 0.0002259600000000 ] - [ 0.0004488800000000, -0.0010201800000000, 0.0005902800000000 ] - [ -0.0001918400000000, 0.0000032200000000, 0.0003161700000000 ] - [ -0.0004629200000000, -0.0004815500000000, 0.0004974900000000 ] - [ 0.0002832000000000, 0.0000298800000000, -0.0000415700000000 ] - [ -0.0000132600000000, 0.0003247600000000, 0.0000855400000000 ] - [ 0.0002820100000000, -0.0000559000000000, 0.0000706100000000 ] - [ -0.0000872000000000, -0.0000174400000000, 0.0000889000000000 ] - [ 0.0003530700000000, -0.0012220900000000, 0.0001329000000000 ] - [ 0.0004166600000000, 0.0000286100000000, 0.0003997000000000 ] - [ 0.0003185600000000, -0.0001143800000000, -0.0001120600000000 ] - [ 0.0003399200000000, -0.0004645100000000, -0.0000231200000000 ] - [ 0.0000347600000000, 0.0003554500000000, 0.0001103800000000 ] - [ 0.0000647000000000, 0.0000606000000000, -0.0000238100000000 ] - [ 0.0003458900000000, 0.0000054100000000, -0.0000744900000000 ] - [ -0.0000037200000000, 0.0002098400000000, 0.0006960900000000 ] - [ -0.0000948500000000, -0.0003875300000000, 0.0000816400000000 ] - [ -0.0036762200000000, -0.0015413400000000, 0.0015123600000000 ] - [ 0.0014392600000000, 0.0012497100000000, -0.0004573100000000 ]- atom: 54 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000619600000000, -0.0005398700000000, -0.0000249000000000 ] - [ -0.0063531700000000, 0.0000541700000000, -0.0037218700000000 ] - [ -0.0007883200000000, 0.0001383400000000, -0.0001606500000000 ] - [ 0.0030386200000000, -0.0025538200000000, 0.0001168400000000 ] - [ 0.0000234900000000, -0.0006210700000000, 0.0000117600000000 ] - [ 0.0056843900000000, 0.0046566600000000, -0.0011201300000000 ] - [ 0.0003984300000000, -0.0017820700000000, -0.0001146800000000 ] - [ -0.0002193900000000, -0.0001105200000000, -0.0001216700000000 ] - [ 0.0009213600000000, -0.0007407000000000, -0.0004837600000000 ] - [ -0.0000930500000000, -0.0005236400000000, -0.0000773300000000 ] - [ 0.0008878300000000, -0.0006946000000000, 0.0005011800000000 ] - [ -0.0007273500000000, 0.0013407300000000, 0.0001252700000000 ] - [ -0.0000238800000000, -0.0005177700000000, 0.0000921900000000 ] - [ -0.0008376200000000, 0.0012528300000000, -0.0000986400000000 ] - [ -0.0023366500000000, 0.0010460400000000, 0.0003183200000000 ] - [ -0.0020920700000000, 0.0006398300000000, -0.0003644200000000 ] - [ -0.0001336700000000, -0.0009176700000000, -0.0000178700000000 ] - [ -0.0036277200000000, -0.0016260600000000, 0.0002650400000000 ] - [ -0.0089191400000000, -0.0006605000000000, 0.0005088800000000 ] - [ 0.0001128100000000, -0.0015033700000000, -0.0001554500000000 ] - [ 0.0010385800000000, 0.0035812900000000, -0.0031272500000000 ] - [ 0.0010807000000000, -0.0024575400000000, -0.0002103800000000 ] - [ 0.0000618400000000, -0.0005625800000000, -0.0000473900000000 ] - [ -0.0011745400000000, -0.0014653100000000, -0.0006685100000000 ] - [ 0.0003621400000000, -0.0003132400000000, 0.0000496900000000 ] - [ -0.0019762200000000, -0.0014425700000000, 0.0006800700000000 ] - [ 0.0003106500000000, -0.0007142200000000, -0.0000438900000000 ] - [ -0.0116069900000000, -0.0012110400000000, -0.0013719700000000 ] - [ -0.0004167900000000, -0.0011134900000000, 0.0002031800000000 ] - [ -0.0001019700000000, -0.0004522900000000, -0.0001812300000000 ] - [ 0.0377086500000000, 0.0229119600000000, -0.0149979600000000 ] - [ -0.0002906800000000, 0.0003718900000000, 0.0003240800000000 ] - [ 0.0005914100000000, -0.0006730400000000, 0.0000520500000000 ] - [ 0.0001372100000000, -0.0002500500000000, -0.0001761500000000 ] - [ -0.0097516000000000, -0.0022645600000000, -0.0020587200000000 ] - [ -0.0003721300000000, -0.0022638800000000, -0.0003391700000000 ] - [ 0.0445324600000000, 0.0048467600000000, -0.0248270500000000 ] - [ 0.0011164100000000, 0.0008558500000000, -0.0001645400000000 ] - [ 0.0040868700000000, -0.0004033900000000, 0.0003367100000000 ] - [ -0.0017718100000000, 0.0012509800000000, 0.0014418700000000 ] - [ 0.0000255300000000, -0.0003963200000000, 0.0000464800000000 ] - [ -0.0005133400000000, -0.0006653200000000, -0.0000938900000000 ] - [ -0.0060012300000000, 0.0017885000000000, 0.0009635800000000 ] - [ -0.0010022800000000, -0.0005818800000000, -0.0000989800000000 ] - [ -0.0050088000000000, 0.0036318900000000, -0.0012911400000000 ] - [ 0.0358265100000000, 0.0125518600000000, 0.0006788300000000 ] - [ 0.0011452900000000, -0.0004180500000000, 0.0003031600000000 ] - [ -0.0004493200000000, -0.0006226000000000, -0.0000421700000000 ] - [ 0.0003669500000000, 0.0012048700000000, 0.0001068200000000 ] - [ 0.0002056600000000, 0.0010050500000000, 0.0001052500000000 ] - [ -0.0000592400000000, 0.0006811700000000, -0.0000972400000000 ] - [ -0.0003756500000000, -0.0008130500000000, 0.0004176600000000 ] - [ 0.0122922200000000, 0.0023398200000000, -0.0111281000000000 ] - [ -0.1295477600000000, -0.0635028700000000, 0.0594215300000000 ] - [ 0.0014608500000000, -0.0005284800000000, -0.0000770000000000 ] - [ 0.0000298300000000, 0.0005811900000000, -0.0000312700000000 ] - [ 0.0001531900000000, -0.0001444000000000, -0.0000329400000000 ] - [ -0.0011972000000000, 0.0002123400000000, 0.0000822900000000 ] - [ -0.0003847000000000, 0.0005251600000000, 0.0000200800000000 ] - [ -0.0002665100000000, 0.0018388900000000, 0.0001570100000000 ] - [ 0.0058800900000000, -0.0025154000000000, -0.0001023700000000 ] - [ 0.0036236900000000, 0.0020687700000000, 0.0014593600000000 ] - [ 0.0046738400000000, -0.0023171200000000, 0.0004453000000000 ] - [ 0.0033112900000000, -0.0005511700000000, -0.0000456700000000 ] - [ -0.0015442900000000, -0.0033556200000000, 0.0002267600000000 ] - [ -0.0018901900000000, 0.0013219000000000, 0.0006287500000000 ] - [ -0.0051214100000000, 0.0015658000000000, -0.0003727300000000 ] - [ -0.0005974400000000, -0.0005721300000000, 0.0001201800000000 ] - [ 0.0055883200000000, -0.0003960000000000, 0.0007135900000000 ] - [ 0.0109168700000000, 0.0155022700000000, 0.0039589600000000 ] - [ -0.0001181400000000, 0.0004393300000000, -0.0002360800000000 ] - [ -0.0006656000000000, 0.0010180200000000, 0.0000312800000000 ] - [ 0.0009649000000000, 0.0011543900000000, 0.0002394600000000 ] - [ -0.0002882400000000, 0.0004548700000000, 0.0000330700000000 ] - [ -0.0003202600000000, 0.0003886900000000, 0.0001096400000000 ] - [ -0.0090234100000000, -0.0038527300000000, -0.0032381700000000 ] - [ -0.0007313200000000, 0.0019416600000000, -0.0002673000000000 ] - [ 0.0010211800000000, -0.0005099100000000, 0.0001278800000000 ] - [ 0.0010418500000000, 0.0003989900000000, -0.0002158400000000 ] - [ -0.0002628900000000, 0.0006443600000000, 0.0000531800000000 ] - [ -0.0005944000000000, 0.0003307500000000, -0.0002550800000000 ] - [ -0.0003229600000000, 0.0003235100000000, -0.0000434700000000 ] - [ -0.0000297800000000, 0.0003945400000000, 0.0000225100000000 ] - [ 0.0008090100000000, 0.0013962200000000, 0.0004167300000000 ] - [ -0.0003784600000000, -0.0000882200000000, -0.0001896600000000 ] - [ -0.0011262200000000, 0.0004751500000000, 0.0000783100000000 ] - [ -0.0025132900000000, -0.0076606200000000, -0.0005673500000000 ] - [ 0.0001720700000000, 0.0006367700000000, 0.0003512000000000 ] - [ 0.0021006500000000, -0.0032702900000000, 0.0011847600000000 ] - [ 0.0004319300000000, 0.0002895100000000, -0.0000613300000000 ] - [ 0.0025928800000000, 0.0025572700000000, 0.0004775900000000 ] - [ 0.0001968800000000, 0.0000483700000000, 0.0000133200000000 ] - [ -0.0001901900000000, 0.0007078300000000, 0.0000729800000000 ] - [ 0.0029292100000000, 0.0024241400000000, -0.0012277200000000 ] - [ 0.0033398800000000, -0.0002762800000000, -0.0000590100000000 ] - [ 0.0006511000000000, -0.0011485100000000, -0.0000777800000000 ] - [ 0.0045270300000000, -0.0001545800000000, -0.0020272700000000 ] - [ -0.0001290500000000, 0.0011224200000000, 0.0000900900000000 ] - [ 0.0000335000000000, 0.0007036700000000, -0.0000148700000000 ] - [ 0.0008068500000000, 0.0007723900000000, -0.0001092800000000 ] - [ 0.0019199200000000, -0.0015530500000000, -0.0000178900000000 ] - [ -0.0000763700000000, 0.0001219200000000, 0.0000802500000000 ] - [ -0.0059245500000000, 0.0037820700000000, 0.0021562600000000 ] - [ 0.0191983900000000, 0.0119798100000000, -0.0037240500000000 ]- atom: 54 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000605600000000, 0.0004165300000000, 0.0000055300000000 ] - [ 0.0063675300000000, -0.0001804500000000, 0.0037301400000000 ] - [ 0.0009412400000000, 0.0000081200000000, -0.0000907100000000 ] - [ -0.0028631300000000, 0.0024129700000000, -0.0003695400000000 ] - [ -0.0000220000000000, 0.0007555800000000, -0.0000312400000000 ] - [ -0.0052246900000000, -0.0047039500000000, 0.0011995500000000 ] - [ -0.0005617800000000, 0.0019359700000000, -0.0001360000000000 ] - [ 0.0000623100000000, -0.0000292300000000, -0.0001285300000000 ] - [ -0.0004968600000000, 0.0008388700000000, 0.0003141600000000 ] - [ -0.0003288300000000, 0.0004334900000000, -0.0000896100000000 ] - [ -0.0005916100000000, 0.0007893800000000, -0.0002930700000000 ] - [ 0.0004353800000000, -0.0012413700000000, 0.0000789000000000 ] - [ -0.0002697400000000, 0.0004311400000000, 0.0001132700000000 ] - [ 0.0004170700000000, -0.0011493400000000, -0.0000671900000000 ] - [ 0.0026253800000000, -0.0011528900000000, -0.0001122300000000 ] - [ 0.0025084800000000, -0.0007479600000000, 0.0001966500000000 ] - [ 0.0003392700000000, 0.0003740000000000, -0.0000325300000000 ] - [ 0.0034842800000000, 0.0020662300000000, -0.0001948100000000 ] - [ 0.0091722700000000, 0.0006934000000000, -0.0003963400000000 ] - [ 0.0004864700000000, 0.0012467500000000, -0.0000494600000000 ] - [ -0.0005250600000000, -0.0033284400000000, 0.0029087700000000 ] - [ -0.0008844100000000, 0.0029730500000000, 0.0001689900000000 ] - [ -0.0002994200000000, 0.0005883900000000, -0.0000322500000000 ] - [ 0.0009558900000000, 0.0014287600000000, 0.0007753100000000 ] - [ -0.0002199200000000, 0.0007662400000000, 0.0000240600000000 ] - [ 0.0021198700000000, 0.0010062200000000, -0.0006088200000000 ] - [ 0.0002646600000000, 0.0006088600000000, -0.0000684900000000 ] - [ 0.0112192000000000, 0.0010096900000000, 0.0009959400000000 ] - [ 0.0000295500000000, 0.0009103900000000, 0.0001000100000000 ] - [ -0.0002872300000000, 0.0006633400000000, -0.0001976600000000 ] - [ -0.0375286500000000, -0.0241315700000000, 0.0155758600000000 ] - [ 0.0004892300000000, -0.0004099100000000, -0.0002163200000000 ] - [ -0.0003509700000000, 0.0006614500000000, -0.0001318100000000 ] - [ 0.0002522300000000, 0.0000540700000000, -0.0002031300000000 ] - [ 0.0101480300000000, 0.0024448500000000, 0.0016699800000000 ] - [ 0.0007618100000000, 0.0024727400000000, 0.0006429300000000 ] - [ -0.0451741200000000, -0.0049859000000000, 0.0241351700000000 ] - [ -0.0012536800000000, -0.0012842900000000, 0.0002352900000000 ] - [ -0.0046608400000000, 0.0001406900000000, -0.0005382300000000 ] - [ 0.0021081100000000, -0.0014410200000000, -0.0011122600000000 ] - [ -0.0002295600000000, 0.0004527400000000, 0.0000576700000000 ] - [ -0.0000649600000000, 0.0007823300000000, -0.0000187300000000 ] - [ 0.0062361600000000, -0.0017906500000000, -0.0010422000000000 ] - [ 0.0007939100000000, 0.0011366700000000, 0.0000484200000000 ] - [ 0.0047744000000000, -0.0036518400000000, 0.0012124700000000 ] - [ -0.0361625800000000, -0.0132098000000000, -0.0008170100000000 ] - [ -0.0015237200000000, 0.0006338000000000, 0.0000021700000000 ] - [ -0.0001482000000000, 0.0008870400000000, -0.0001624800000000 ] - [ -0.0008632300000000, -0.0009826700000000, -0.0003550800000000 ] - [ -0.0004914500000000, -0.0008125200000000, 0.0003727500000000 ] - [ -0.0005439100000000, -0.0005459900000000, -0.0000683200000000 ] - [ 0.0006758500000000, 0.0009990400000000, 0.0000603600000000 ] - [ -0.0116427500000000, -0.0024253500000000, 0.0108470700000000 ] - [ 0.1294182800000000, 0.0654200600000000, -0.0596823100000000 ] - [ -0.0015358000000000, 0.0002726500000000, 0.0001508700000000 ] - [ -0.0001424000000000, -0.0007562100000000, -0.0000188800000000 ] - [ 0.0002655300000000, 0.0000827400000000, 0.0000318000000000 ] - [ 0.0012668000000000, -0.0004684000000000, -0.0000081300000000 ] - [ -0.0000302700000000, -0.0004790200000000, -0.0000214500000000 ] - [ 0.0004535400000000, -0.0018930600000000, 0.0000117600000000 ] - [ -0.0057523800000000, 0.0024531000000000, -0.0000913500000000 ] - [ -0.0032118400000000, -0.0020023300000000, -0.0014613800000000 ] - [ -0.0047983200000000, 0.0023977000000000, -0.0006456700000000 ] - [ -0.0032617800000000, 0.0003145300000000, 0.0001161900000000 ] - [ 0.0013300400000000, 0.0040567800000000, -0.0000590200000000 ] - [ 0.0015143600000000, -0.0013917700000000, 0.0000056700000000 ] - [ 0.0045502000000000, -0.0017179600000000, 0.0002171500000000 ] - [ 0.0004015500000000, 0.0005127300000000, 0.0000487500000000 ] - [ -0.0050243100000000, 0.0004026800000000, -0.0005915100000000 ] - [ -0.0101249300000000, -0.0160465800000000, -0.0042757000000000 ] - [ 0.0000011400000000, -0.0005177000000000, 0.0000362900000000 ] - [ 0.0007100900000000, -0.0007680700000000, 0.0000400000000000 ] - [ -0.0005950100000000, -0.0012324600000000, 0.0003941800000000 ] - [ 0.0002461400000000, -0.0007159800000000, 0.0000382500000000 ] - [ -0.0002517300000000, -0.0004116900000000, 0.0000154200000000 ] - [ 0.0096364800000000, 0.0039574600000000, 0.0031448300000000 ] - [ 0.0000077500000000, -0.0012131200000000, -0.0001048600000000 ] - [ -0.0008101100000000, 0.0005719900000000, 0.0000382500000000 ] - [ -0.0002874000000000, 0.0003239300000000, -0.0001587900000000 ] - [ 0.0001875200000000, -0.0003990200000000, 0.0000204400000000 ] - [ 0.0000943200000000, -0.0005655700000000, 0.0000054700000000 ] - [ -0.0001880600000000, -0.0004306700000000, -0.0000559500000000 ] - [ 0.0001439200000000, -0.0003275000000000, -0.0002241300000000 ] - [ -0.0005226300000000, -0.0015943600000000, 0.0000605200000000 ] - [ -0.0003693400000000, -0.0006438700000000, -0.0001842600000000 ] - [ 0.0008360300000000, -0.0006835000000000, 0.0003983800000000 ] - [ 0.0029524000000000, 0.0076696600000000, 0.0011770700000000 ] - [ -0.0005436800000000, -0.0005649900000000, 0.0002817100000000 ] - [ -0.0018858400000000, 0.0025866800000000, -0.0010288900000000 ] - [ 0.0000827200000000, -0.0001896000000000, -0.0000379100000000 ] - [ -0.0030162700000000, -0.0026283800000000, -0.0004859100000000 ] - [ 0.0003735200000000, -0.0000383500000000, 0.0001129600000000 ] - [ 0.0000014800000000, -0.0006590300000000, 0.0000958100000000 ] - [ -0.0024334100000000, -0.0026492900000000, 0.0009768300000000 ] - [ -0.0032624100000000, 0.0005323900000000, 0.0001332200000000 ] - [ -0.0001398300000000, 0.0013554500000000, -0.0001748700000000 ] - [ -0.0051093000000000, 0.0001600300000000, 0.0021633100000000 ] - [ 0.0003272300000000, -0.0004066000000000, 0.0000766100000000 ] - [ 0.0000824800000000, -0.0005395100000000, -0.0000353100000000 ] - [ -0.0002045300000000, -0.0009162500000000, -0.0000568200000000 ] - [ -0.0019668000000000, 0.0018025400000000, 0.0000872500000000 ] - [ -0.0001237200000000, -0.0008458600000000, 0.0000863100000000 ] - [ 0.0061151300000000, -0.0039255700000000, -0.0021850600000000 ] - [ -0.0199223900000000, -0.0120685300000000, 0.0037154900000000 ]- atom: 54 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000843700000000, -0.0027860800000000, -0.0001159300000000 ] - [ -0.0021505100000000, 0.0096116100000000, -0.0003537300000000 ] - [ 0.0009274100000000, -0.0013751500000000, -0.0000055700000000 ] - [ -0.0020650600000000, -0.0026825800000000, 0.0006761800000000 ] - [ -0.0000059300000000, -0.0026157000000000, 0.0000857800000000 ] - [ 0.0020289800000000, 0.0104631300000000, 0.0002678100000000 ] - [ -0.0024393900000000, -0.0035885100000000, 0.0004547700000000 ] - [ 0.0004790400000000, -0.0021311200000000, -0.0001003800000000 ] - [ -0.0000723000000000, -0.0020153700000000, 0.0002269600000000 ] - [ -0.0003685300000000, -0.0020696100000000, -0.0005185000000000 ] - [ -0.0001482600000000, -0.0020631500000000, -0.0001971300000000 ] - [ 0.0014060200000000, 0.0005177500000000, 0.0011148800000000 ] - [ -0.0002873400000000, -0.0020644600000000, 0.0005186300000000 ] - [ 0.0013954500000000, 0.0004333200000000, -0.0010589100000000 ] - [ 0.0025234400000000, 0.0023011600000000, -0.0008580900000000 ] - [ 0.0022713700000000, 0.0023137300000000, 0.0008666100000000 ] - [ 0.0002966800000000, -0.0030346200000000, 0.0000249900000000 ] - [ -0.0007160900000000, 0.0000444500000000, 0.0013631700000000 ] - [ -0.0135797100000000, 0.0039875900000000, -0.0000579800000000 ] - [ -0.0002374900000000, -0.0020229700000000, 0.0000800300000000 ] - [ 0.0101525700000000, -0.0021692500000000, 0.0071194200000000 ] - [ -0.0043809800000000, -0.0059586900000000, -0.0085929800000000 ] - [ -0.0002593300000000, -0.0033204500000000, -0.0002073500000000 ] - [ -0.0046270100000000, -0.0006432700000000, -0.0000328200000000 ] - [ -0.0003169600000000, -0.0047364800000000, 0.0008422600000000 ] - [ -0.0004112500000000, -0.0019499500000000, -0.0001654900000000 ] - [ 0.0008269300000000, -0.0028559400000000, -0.0000973200000000 ] - [ -0.0081183400000000, 0.0001621000000000, -0.0014394800000000 ] - [ -0.0008476000000000, -0.0022529700000000, 0.0002031900000000 ] - [ -0.0001642100000000, -0.0032246700000000, -0.0001232300000000 ] - [ 0.0191861700000000, 0.0767394300000000, -0.0211723500000000 ] - [ 0.0014046200000000, -0.0039112600000000, -0.0006257100000000 ] - [ -0.0001168700000000, -0.0033525600000000, 0.0000734600000000 ] - [ 0.0003966000000000, -0.0034537700000000, -0.0000566900000000 ] - [ -0.0009065500000000, 0.0057645700000000, 0.0009663700000000 ] - [ -0.0011061900000000, -0.0016121700000000, -0.0001419600000000 ] - [ 0.0049905400000000, 0.0533542500000000, -0.0007088800000000 ] - [ -0.0002587300000000, -0.0052184200000000, 0.0009991500000000 ] - [ 0.0109656800000000, -0.0069376400000000, 0.0044200300000000 ] - [ 0.0091328800000000, -0.0062075500000000, -0.0051488300000000 ] - [ 0.0006659900000000, -0.0033300900000000, -0.0000411000000000 ] - [ 0.0003627800000000, -0.0026891300000000, 0.0000115200000000 ] - [ -0.0011950600000000, 0.0061052200000000, 0.0000628800000000 ] - [ 0.0003121600000000, -0.0023553100000000, -0.0000898600000000 ] - [ -0.0019896000000000, 0.0048342900000000, -0.0004703400000000 ] - [ 0.0069791600000000, 0.0837357100000000, 0.0243973600000000 ] - [ 0.0029375000000000, -0.0036771900000000, -0.0007730800000000 ] - [ -0.0006440400000000, -0.0022540800000000, -0.0001022900000000 ] - [ 0.0008126200000000, 0.0017572100000000, -0.0001340100000000 ] - [ -0.0000283400000000, 0.0021717000000000, 0.0001895300000000 ] - [ 0.0001439200000000, 0.0023559800000000, -0.0001793600000000 ] - [ -0.0016943500000000, 0.0031106400000000, 0.0001099100000000 ] - [ -0.0009594600000000, -0.0101142200000000, -0.0016283200000000 ] - [ -0.0636679600000000, -0.2644268200000000, -0.0038208400000000 ] - [ -0.0007616400000000, 0.0005824300000000, 0.0001261800000000 ] - [ -0.0007268100000000, 0.0025276000000000, 0.0000068900000000 ] - [ -0.0005375500000000, 0.0031435400000000, -0.0000889000000000 ] - [ 0.0009303500000000, 0.0024598000000000, -0.0001421300000000 ] - [ -0.0008743300000000, 0.0035206700000000, 0.0000275600000000 ] - [ 0.0007175700000000, 0.0022022600000000, 0.0000031300000000 ] - [ 0.0017939300000000, -0.0044552400000000, -0.0000304200000000 ] - [ 0.0027877700000000, -0.0031816200000000, 0.0020933200000000 ] - [ 0.0030801400000000, -0.0040875400000000, -0.0003288000000000 ] - [ -0.0011492900000000, -0.0047248300000000, -0.0000036000000000 ] - [ -0.0045286400000000, -0.0001572000000000, -0.0005193600000000 ] - [ -0.0026513300000000, 0.0035721400000000, 0.0003534700000000 ] - [ 0.0013930000000000, 0.0271282900000000, -0.0009219800000000 ] - [ -0.0018250800000000, 0.0005670100000000, 0.0002836400000000 ] - [ 0.0036982800000000, -0.0053572700000000, -0.0004132400000000 ] - [ 0.0224258000000000, 0.0095312500000000, 0.0038426900000000 ] - [ 0.0005990500000000, 0.0026157100000000, -0.0005455400000000 ] - [ -0.0006234300000000, 0.0028532800000000, 0.0000232800000000 ] - [ 0.0009468100000000, 0.0016290200000000, 0.0001579400000000 ] - [ -0.0007145100000000, 0.0025641100000000, 0.0000393600000000 ] - [ 0.0000875000000000, 0.0024392800000000, 0.0003125700000000 ] - [ 0.0011912400000000, -0.0004601100000000, -0.0084263700000000 ] - [ 0.0051175800000000, 0.0018710200000000, 0.0013160800000000 ] - [ -0.0036720400000000, -0.0004269700000000, 0.0004452300000000 ] - [ -0.0009015000000000, 0.0023250100000000, -0.0000346600000000 ] - [ 0.0006723200000000, 0.0027472500000000, -0.0000809800000000 ] - [ -0.0010801400000000, 0.0032400600000000, -0.0002823700000000 ] - [ -0.0008007100000000, 0.0017441200000000, -0.0000292000000000 ] - [ 0.0006489900000000, 0.0026346900000000, 0.0003463400000000 ] - [ 0.0004512200000000, 0.0010156400000000, 0.0003429000000000 ] - [ -0.0011623800000000, 0.0015487900000000, -0.0002719100000000 ] - [ -0.0024532900000000, 0.0061363800000000, 0.0001549300000000 ] - [ -0.0087278900000000, 0.0213631200000000, 0.0023278500000000 ] - [ 0.0005430300000000, 0.0019191500000000, 0.0004271200000000 ] - [ -0.0052108900000000, -0.0043651300000000, -0.0010150000000000 ] - [ -0.0004222400000000, 0.0018278200000000, -0.0000957100000000 ] - [ 0.0019386200000000, 0.0006039200000000, -0.0003328300000000 ] - [ 0.0006629200000000, 0.0028231800000000, -0.0001951800000000 ] - [ -0.0000301700000000, 0.0020111000000000, 0.0001446400000000 ] - [ 0.0031382800000000, 0.0008674600000000, -0.0009679200000000 ] - [ -0.0003757300000000, -0.0004112600000000, -0.0002140500000000 ] - [ -0.0021832800000000, 0.0059139300000000, 0.0004174600000000 ] - [ 0.0033597900000000, -0.0017904700000000, -0.0013239600000000 ] - [ 0.0006855900000000, 0.0023488200000000, 0.0000266300000000 ] - [ -0.0005649300000000, 0.0026968400000000, -0.0000615900000000 ] - [ 0.0006400700000000, 0.0020001700000000, 0.0000362700000000 ] - [ -0.0005585500000000, -0.0022021300000000, 0.0001951600000000 ] - [ 0.0002450900000000, 0.0017487100000000, 0.0001162800000000 ] - [ 0.0038932800000000, 0.0001260000000000, 0.0081950300000000 ] - [ 0.0139686800000000, 0.0001075700000000, -0.0014926200000000 ]- atom: 54 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000837100000000, 0.0026540300000000, 0.0000957200000000 ] - [ 0.0021352900000000, -0.0097409500000000, 0.0003197400000000 ] - [ -0.0007600500000000, 0.0015221300000000, -0.0002444800000000 ] - [ 0.0021990200000000, 0.0025407300000000, -0.0009200500000000 ] - [ 0.0000056100000000, 0.0027427700000000, -0.0001054200000000 ] - [ -0.0020110900000000, -0.0103531500000000, -0.0002569100000000 ] - [ 0.0022908900000000, 0.0037335000000000, -0.0007093900000000 ] - [ -0.0006404900000000, 0.0019801700000000, -0.0001498000000000 ] - [ 0.0004880800000000, 0.0021102000000000, -0.0003912500000000 ] - [ -0.0000515900000000, 0.0019736100000000, 0.0003520700000000 ] - [ 0.0004353600000000, 0.0021540600000000, 0.0003998600000000 ] - [ -0.0017027000000000, -0.0004364500000000, -0.0009115400000000 ] - [ -0.0000046000000000, 0.0019718400000000, -0.0003138900000000 ] - [ -0.0018205200000000, -0.0003488200000000, 0.0008941900000000 ] - [ -0.0022140500000000, -0.0023817000000000, 0.0010658700000000 ] - [ -0.0018369100000000, -0.0023969100000000, -0.0010361200000000 ] - [ -0.0000894200000000, 0.0024793300000000, -0.0000747600000000 ] - [ 0.0005861100000000, 0.0004191100000000, -0.0012832900000000 ] - [ 0.0137975300000000, -0.0039139600000000, 0.0001582900000000 ] - [ 0.0008334900000000, 0.0017724400000000, -0.0002822600000000 ] - [ -0.0095284200000000, 0.0024596800000000, -0.0072551100000000 ] - [ 0.0045949300000000, 0.0064796500000000, 0.0085932900000000 ] - [ 0.0000211800000000, 0.0033346100000000, 0.0001269400000000 ] - [ 0.0044292600000000, 0.0005834400000000, 0.0001356800000000 ] - [ 0.0004596900000000, 0.0051848100000000, -0.0007703300000000 ] - [ 0.0005547100000000, 0.0014925700000000, 0.0002411600000000 ] - [ -0.0002493200000000, 0.0027411700000000, -0.0000145400000000 ] - [ 0.0077067300000000, -0.0003663700000000, 0.0010557500000000 ] - [ 0.0004625900000000, 0.0020345400000000, 0.0000996700000000 ] - [ -0.0002289900000000, 0.0034274900000000, -0.0002562200000000 ] - [ -0.0210873300000000, -0.0798865100000000, 0.0233188200000000 ] - [ -0.0011893400000000, 0.0038498300000000, 0.0007253200000000 ] - [ 0.0003512400000000, 0.0033313600000000, -0.0001541100000000 ] - [ -0.0000027400000000, 0.0032418400000000, -0.0003213200000000 ] - [ 0.0013817600000000, -0.0055038300000000, -0.0013121000000000 ] - [ 0.0014917700000000, 0.0018337600000000, 0.0004457000000000 ] - [ -0.0057654000000000, -0.0533457200000000, 0.0011636800000000 ] - [ 0.0001092500000000, 0.0047507500000000, -0.0009151800000000 ] - [ -0.0116052200000000, 0.0066851700000000, -0.0046489800000000 ] - [ -0.0087044100000000, 0.0059778900000000, 0.0054116900000000 ] - [ -0.0008751400000000, 0.0033784600000000, 0.0001455800000000 ] - [ -0.0009376800000000, 0.0027996300000000, -0.0001228900000000 ] - [ 0.0014545700000000, -0.0060785200000000, -0.0001519600000000 ] - [ -0.0005142100000000, 0.0029070900000000, 0.0000398300000000 ] - [ 0.0017586600000000, -0.0048654500000000, 0.0003981400000000 ] - [ -0.0061608300000000, -0.0789971900000000, -0.0216220200000000 ] - [ -0.0033353300000000, 0.0038894200000000, 0.0010793000000000 ] - [ 0.0000483600000000, 0.0025051800000000, -0.0001010300000000 ] - [ -0.0013152400000000, -0.0015195700000000, -0.0001149300000000 ] - [ -0.0002602800000000, -0.0019631400000000, 0.0002892400000000 ] - [ -0.0007444400000000, -0.0022108800000000, 0.0000142500000000 ] - [ 0.0019783700000000, -0.0029063800000000, 0.0003677700000000 ] - [ 0.0013297200000000, 0.0099587300000000, 0.0016199100000000 ] - [ 0.0653121000000000, 0.2623610600000000, -0.0023008000000000 ] - [ 0.0006897500000000, -0.0008259600000000, -0.0000538100000000 ] - [ 0.0006099400000000, -0.0026951400000000, -0.0000567100000000 ] - [ 0.0009517900000000, -0.0031892800000000, 0.0000882600000000 ] - [ -0.0008487600000000, -0.0027053300000000, 0.0002131900000000 ] - [ 0.0004593000000000, -0.0034684400000000, -0.0000282100000000 ] - [ -0.0005179700000000, -0.0022617900000000, 0.0001647300000000 ] - [ -0.0017109900000000, 0.0043876400000000, -0.0001689700000000 ] - [ -0.0023754500000000, 0.0032022500000000, -0.0020873100000000 ] - [ -0.0032041100000000, 0.0041619400000000, 0.0001247100000000 ] - [ 0.0011726100000000, 0.0044522900000000, 0.0000758500000000 ] - [ 0.0043408900000000, 0.0008925300000000, 0.0006879300000000 ] - [ 0.0022860000000000, -0.0036462400000000, 0.0002779300000000 ] - [ -0.0020318500000000, -0.0277372300000000, 0.0007765700000000 ] - [ 0.0016368900000000, -0.0006135300000000, -0.0001153500000000 ] - [ -0.0031395000000000, 0.0053214800000000, 0.0005272200000000 ] - [ -0.0214736400000000, -0.0101223900000000, -0.0041278900000000 ] - [ -0.0007134800000000, -0.0026859200000000, 0.0003441500000000 ] - [ 0.0006672100000000, -0.0025971200000000, 0.0000476500000000 ] - [ -0.0005788300000000, -0.0017106300000000, 0.0004747500000000 ] - [ 0.0006726200000000, -0.0028171800000000, 0.0000316700000000 ] - [ -0.0006581900000000, -0.0024559800000000, -0.0001863400000000 ] - [ -0.0005987000000000, 0.0005980500000000, 0.0082789600000000 ] - [ -0.0058788500000000, -0.0011344900000000, -0.0016972800000000 ] - [ 0.0038396600000000, 0.0004753800000000, -0.0002708700000000 ] - [ 0.0016410200000000, -0.0015937400000000, -0.0003381200000000 ] - [ -0.0007446000000000, -0.0024974600000000, 0.0001540100000000 ] - [ 0.0005820700000000, -0.0034687100000000, 0.0000335400000000 ] - [ 0.0002903400000000, -0.0018442900000000, -0.0000699500000000 ] - [ -0.0005314700000000, -0.0025587400000000, -0.0005474500000000 ] - [ -0.0001650200000000, -0.0012271600000000, 0.0001352100000000 ] - [ 0.0004149400000000, -0.0022747400000000, -0.0001019700000000 ] - [ 0.0021821400000000, -0.0063555800000000, 0.0003227800000000 ] - [ 0.0089866000000000, -0.0208913000000000, -0.0016599900000000 ] - [ -0.0009129600000000, -0.0018376300000000, 0.0002053800000000 ] - [ 0.0054000600000000, 0.0036266600000000, 0.0011756500000000 ] - [ 0.0009300900000000, -0.0017236800000000, -0.0000036200000000 ] - [ -0.0023534900000000, -0.0006457700000000, 0.0003354600000000 ] - [ -0.0000898200000000, -0.0027968300000000, 0.0003211300000000 ] - [ -0.0001683400000000, -0.0019542900000000, 0.0000242400000000 ] - [ -0.0026336900000000, -0.0011075100000000, 0.0007160600000000 ] - [ 0.0004367000000000, 0.0006544200000000, 0.0002862900000000 ] - [ 0.0026664800000000, -0.0056445200000000, -0.0006669200000000 ] - [ -0.0039361500000000, 0.0018166800000000, 0.0014481100000000 ] - [ -0.0004769000000000, -0.0016335300000000, 0.0001388500000000 ] - [ 0.0006789000000000, -0.0025251000000000, 0.0000114400000000 ] - [ -0.0000416200000000, -0.0021435000000000, -0.0002006500000000 ] - [ 0.0005177800000000, 0.0024713400000000, -0.0001246900000000 ] - [ -0.0004516200000000, -0.0024622600000000, 0.0000495300000000 ] - [ -0.0038144500000000, -0.0002693600000000, -0.0082065900000000 ] - [ -0.0145001300000000, 0.0000151100000000, 0.0014246500000000 ]- atom: 54 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000066000000000, -0.0000412600000000, -0.0000090400000000 ] - [ -0.0032954100000000, -0.0013158100000000, -0.0022447400000000 ] - [ 0.0001754200000000, 0.0001883400000000, -0.0001128200000000 ] - [ -0.0006409100000000, 0.0001729300000000, 0.0003749500000000 ] - [ -0.0000081500000000, 0.0000710800000000, -0.0000102900000000 ] - [ 0.0001204200000000, -0.0003710500000000, 0.0028234200000000 ] - [ -0.0003627800000000, 0.0003663800000000, -0.0000915900000000 ] - [ -0.0000137600000000, -0.0001030500000000, -0.0001218100000000 ] - [ 0.0001604500000000, 0.0000230300000000, -0.0000778500000000 ] - [ -0.0002553600000000, -0.0000223000000000, -0.0001084200000000 ] - [ 0.0000996600000000, 0.0000079700000000, 0.0000980000000000 ] - [ -0.0001521800000000, -0.0002415200000000, -0.0001430500000000 ] - [ -0.0001895400000000, -0.0000230500000000, 0.0001283600000000 ] - [ -0.0002075600000000, -0.0001710200000000, 0.0001548800000000 ] - [ 0.0002834800000000, 0.0000730200000000, 0.0002781400000000 ] - [ 0.0003639400000000, 0.0000613700000000, -0.0002620900000000 ] - [ 0.0001693100000000, -0.0002379800000000, -0.0000198500000000 ] - [ 0.0002863800000000, 0.0010516400000000, 0.0008137200000000 ] - [ -0.0017723000000000, 0.0009262000000000, -0.0012683000000000 ] - [ 0.0002345100000000, 0.0000419400000000, -0.0000081600000000 ] - [ 0.0034973800000000, 0.0014844600000000, 0.0000307400000000 ] - [ -0.0003906400000000, 0.0028823400000000, 0.0013074500000000 ] - [ -0.0001508200000000, 0.0000125100000000, -0.0000392200000000 ] - [ 0.0004839100000000, -0.0002717300000000, 0.0004393500000000 ] - [ -0.0000430600000000, 0.0001000000000000, 0.0001048300000000 ] - [ 0.0004665200000000, -0.0000570700000000, -0.0002607500000000 ] - [ 0.0003042200000000, -0.0000205700000000, -0.0000638700000000 ] - [ 0.0021512700000000, -0.0007991200000000, -0.0010543300000000 ] - [ -0.0001916800000000, 0.0000394100000000, 0.0001818100000000 ] - [ -0.0002014600000000, 0.0000707600000000, -0.0001781100000000 ] - [ -0.0157981500000000, -0.0156284800000000, 0.0374941100000000 ] - [ 0.0001751000000000, -0.0000664700000000, 0.0000508300000000 ] - [ 0.0001110800000000, -0.0000221800000000, -0.0000341500000000 ] - [ 0.0002178400000000, -0.0001245300000000, -0.0001983800000000 ] - [ 0.0059529600000000, 0.0029248600000000, 0.0023988300000000 ] - [ 0.0000648200000000, 0.0002264600000000, -0.0000527400000000 ] - [ -0.0243092700000000, 0.0003232300000000, 0.0756026500000000 ] - [ -0.0000471100000000, -0.0004563000000000, 0.0000157400000000 ] - [ 0.0000838000000000, -0.0000882000000000, 0.0003101100000000 ] - [ 0.0007131800000000, -0.0005535800000000, 0.0002693500000000 ] - [ -0.0000844000000000, -0.0000245600000000, 0.0000393700000000 ] - [ -0.0002641100000000, 0.0001035900000000, -0.0000416600000000 ] - [ 0.0008821700000000, -0.0000130300000000, -0.0010114700000000 ] - [ -0.0000660700000000, 0.0003261700000000, -0.0000475200000000 ] - [ 0.0004990000000000, -0.0010491900000000, 0.0006293900000000 ] - [ 0.0008737300000000, 0.0153637100000000, 0.0350842700000000 ] - [ -0.0002597100000000, 0.0001155000000000, 0.0000258600000000 ] - [ -0.0002962000000000, 0.0002183300000000, -0.0001313400000000 ] - [ -0.0004490600000000, 0.0000580800000000, -0.0002187800000000 ] - [ -0.0002003000000000, -0.0000763500000000, 0.0002728900000000 ] - [ -0.0003365000000000, 0.0000176600000000, -0.0000824300000000 ] - [ -0.0001063400000000, 0.0003482500000000, -0.0000184700000000 ] - [ -0.0112932600000000, -0.0028747200000000, 0.0077043100000000 ] - [ 0.0582582800000000, -0.0006901500000000, -0.2326718900000000 ] - [ -0.0002889600000000, -0.0000204200000000, 0.0000807300000000 ] - [ -0.0000640400000000, -0.0001156600000000, -0.0000212200000000 ] - [ 0.0001656800000000, 0.0000336700000000, -0.0000009400000000 ] - [ 0.0000955800000000, -0.0000508900000000, 0.0000295600000000 ] - [ -0.0002118500000000, 0.0001016500000000, -0.0000062600000000 ] - [ 0.0002518400000000, 0.0000045900000000, 0.0001198100000000 ] - [ -0.0022512700000000, 0.0007117900000000, 0.0002031100000000 ] - [ -0.0008231000000000, -0.0015862700000000, -0.0000444100000000 ] - [ -0.0008024400000000, 0.0005429500000000, -0.0002829300000000 ] - [ -0.0005751800000000, -0.0003071600000000, 0.0002196700000000 ] - [ -0.0000639200000000, 0.0002739900000000, 0.0001072600000000 ] - [ -0.0000488000000000, -0.0001415200000000, 0.0002770800000000 ] - [ 0.0002639300000000, 0.0029407100000000, 0.0005293900000000 ] - [ -0.0000414300000000, 0.0000959700000000, 0.0001016900000000 ] - [ -0.0000812400000000, -0.0001301300000000, -0.0009369900000000 ] - [ 0.0019455200000000, 0.0017050400000000, -0.0028402800000000 ] - [ -0.0000419600000000, -0.0000216800000000, -0.0000998400000000 ] - [ 0.0000325900000000, 0.0001390600000000, 0.0000308700000000 ] - [ 0.0001921100000000, -0.0000739700000000, 0.0003140500000000 ] - [ 0.0000153200000000, -0.0001556000000000, 0.0000356500000000 ] - [ -0.0002734700000000, 0.0000063900000000, 0.0000630900000000 ] - [ -0.0043812000000000, 0.0061435600000000, 0.0387013000000000 ] - [ -0.0008912300000000, -0.0001982000000000, -0.0004498500000000 ] - [ -0.0002222700000000, -0.0000924800000000, 0.0000524400000000 ] - [ 0.0003155700000000, 0.0003505200000000, -0.0001908400000000 ] - [ 0.0000518900000000, 0.0001252800000000, 0.0000279300000000 ] - [ -0.0002261100000000, -0.0000666500000000, -0.0001075300000000 ] - [ -0.0002672200000000, -0.0000465200000000, -0.0000509900000000 ] - [ 0.0000656900000000, 0.0000414800000000, -0.0001016900000000 ] - [ 0.0001549800000000, -0.0005039100000000, 0.0002263500000000 ] - [ -0.0004163500000000, -0.0003494600000000, -0.0001872500000000 ] - [ -0.0002287000000000, 0.0002287600000000, 0.0002190300000000 ] - [ 0.0006021400000000, 0.0000792000000000, 0.0007018300000000 ] - [ -0.0002277000000000, -0.0000205400000000, 0.0003108500000000 ] - [ 0.0001323100000000, -0.0008609300000000, 0.0003470200000000 ] - [ 0.0002237900000000, 0.0000411200000000, -0.0000492900000000 ] - [ -0.0011391500000000, -0.0008325500000000, -0.0000702100000000 ] - [ 0.0002789400000000, 0.0000208400000000, 0.0000618400000000 ] - [ -0.0000743200000000, -0.0000544700000000, 0.0000776800000000 ] - [ 0.0009669300000000, -0.0001684600000000, -0.0002500100000000 ] - [ -0.0001235900000000, -0.0001182200000000, -0.0001230900000000 ] - [ 0.0001563300000000, 0.0001530500000000, -0.0001173100000000 ] - [ -0.0007923500000000, 0.0007674300000000, 0.0002098400000000 ] - [ 0.0001895800000000, 0.0003267400000000, 0.0000694900000000 ] - [ 0.0000473300000000, 0.0000483500000000, -0.0000273600000000 ] - [ 0.0002691900000000, -0.0001625100000000, -0.0000868700000000 ] - [ -0.0002429100000000, 0.0006676500000000, -0.0001603700000000 ] - [ -0.0000797400000000, -0.0003909900000000, 0.0000870000000000 ] - [ -0.0021500500000000, -0.0084992200000000, 0.0385676800000000 ] - [ -0.0046360200000000, -0.0028373800000000, -0.0016169600000000 ]- atom: 54 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000070300000000, -0.0000891400000000, -0.0000109300000000 ] - [ 0.0033450100000000, 0.0012031200000000, 0.0021887200000000 ] - [ -0.0000158400000000, -0.0000441900000000, -0.0001396300000000 ] - [ 0.0007848700000000, -0.0003453500000000, -0.0006378300000000 ] - [ 0.0000083200000000, 0.0000571400000000, -0.0000092400000000 ] - [ -0.0001550500000000, 0.0005123800000000, -0.0028461800000000 ] - [ 0.0002044900000000, -0.0002250300000000, -0.0001560300000000 ] - [ -0.0001454800000000, -0.0000443100000000, -0.0001288200000000 ] - [ 0.0002602800000000, 0.0000715100000000, -0.0000866800000000 ] - [ -0.0001663900000000, -0.0000736000000000, -0.0000580200000000 ] - [ 0.0001930000000000, 0.0000838100000000, 0.0001054700000000 ] - [ -0.0001432900000000, 0.0003347100000000, 0.0003510700000000 ] - [ -0.0001039200000000, -0.0000696600000000, 0.0000768100000000 ] - [ -0.0002152800000000, 0.0002665600000000, -0.0003238200000000 ] - [ 0.0000122900000000, -0.0001648000000000, -0.0000792800000000 ] - [ 0.0000625800000000, -0.0001581000000000, 0.0001017400000000 ] - [ 0.0000416700000000, -0.0003158200000000, -0.0000293600000000 ] - [ -0.0004307600000000, -0.0006104300000000, -0.0007495000000000 ] - [ 0.0020145600000000, -0.0008969900000000, 0.0013826900000000 ] - [ 0.0003624800000000, -0.0002992200000000, -0.0001962500000000 ] - [ -0.0028396500000000, -0.0012990700000000, -0.0003032900000000 ] - [ 0.0006228600000000, -0.0022593300000000, -0.0014158500000000 ] - [ -0.0000859800000000, 0.0000043200000000, -0.0000412700000000 ] - [ -0.0006819500000000, 0.0002140100000000, -0.0003382100000000 ] - [ 0.0001855600000000, 0.0003461100000000, -0.0000271700000000 ] - [ -0.0003286300000000, -0.0003957300000000, 0.0003390300000000 ] - [ 0.0002759100000000, -0.0000926100000000, -0.0000474600000000 ] - [ -0.0025961300000000, 0.0005897500000000, 0.0006573800000000 ] - [ -0.0001966500000000, -0.0002543100000000, 0.0001203700000000 ] - [ -0.0001916300000000, 0.0001339900000000, -0.0002001100000000 ] - [ 0.0158162400000000, 0.0147566300000000, -0.0374462800000000 ] - [ 0.0000349100000000, 0.0000162600000000, 0.0000587200000000 ] - [ 0.0001265100000000, 0.0000028300000000, -0.0000450800000000 ] - [ 0.0001754400000000, -0.0000832400000000, -0.0001816800000000 ] - [ -0.0056026300000000, -0.0027309800000000, -0.0027824200000000 ] - [ 0.0003253700000000, -0.0000124700000000, 0.0003586000000000 ] - [ 0.0263961300000000, -0.0003766000000000, -0.0827606700000000 ] - [ -0.0000974400000000, 0.0000014500000000, 0.0000461700000000 ] - [ -0.0006699000000000, -0.0001706800000000, -0.0004817800000000 ] - [ -0.0003467400000000, 0.0003424100000000, 0.0000742200000000 ] - [ -0.0001259500000000, 0.0000756500000000, 0.0000636800000000 ] - [ -0.0003158800000000, 0.0000075300000000, -0.0000699200000000 ] - [ -0.0006516300000000, 0.0000392100000000, 0.0009367500000000 ] - [ -0.0001460400000000, 0.0002255800000000, -0.0000016700000000 ] - [ -0.0007478500000000, 0.0010399900000000, -0.0007123700000000 ] - [ -0.0008633500000000, -0.0148962300000000, -0.0350566100000000 ] - [ -0.0001329800000000, 0.0001021000000000, 0.0002674400000000 ] - [ -0.0003009000000000, 0.0000354800000000, -0.0000717400000000 ] - [ -0.0000536800000000, 0.0001748500000000, -0.0000313800000000 ] - [ -0.0000870700000000, 0.0002813100000000, 0.0002058500000000 ] - [ -0.0002635500000000, 0.0001258400000000, -0.0000818500000000 ] - [ 0.0003855100000000, -0.0001178200000000, 0.0004990200000000 ] - [ 0.0120022600000000, 0.0027858800000000, -0.0078844800000000 ] - [ -0.0608982800000000, 0.0008099300000000, 0.2398342900000000 ] - [ 0.0002229700000000, -0.0002294000000000, -0.0000085600000000 ] - [ -0.0000513000000000, -0.0000520400000000, -0.0000283200000000 ] - [ 0.0002508700000000, -0.0000828200000000, 0.0000015200000000 ] - [ -0.0000272300000000, -0.0001955200000000, 0.0000455700000000 ] - [ -0.0002060100000000, -0.0000456100000000, 0.0000065200000000 ] - [ -0.0000522600000000, -0.0000610400000000, 0.0000483300000000 ] - [ 0.0023868300000000, -0.0007924000000000, -0.0004105200000000 ] - [ 0.0012531400000000, 0.0016602800000000, 0.0000408800000000 ] - [ 0.0006949400000000, -0.0004774200000000, 0.0000843100000000 ] - [ 0.0006126600000000, 0.0000473000000000, -0.0001506600000000 ] - [ -0.0001444100000000, 0.0004432200000000, 0.0000526800000000 ] - [ -0.0003156500000000, 0.0000392600000000, 0.0003580700000000 ] - [ -0.0008632000000000, -0.0030175200000000, -0.0006727900000000 ] - [ -0.0001581300000000, -0.0001511700000000, 0.0000681500000000 ] - [ 0.0006581900000000, 0.0001120400000000, 0.0010743500000000 ] - [ -0.0012414000000000, -0.0024873000000000, 0.0024456800000000 ] - [ -0.0000750100000000, -0.0000488600000000, -0.0001016100000000 ] - [ 0.0000030800000000, 0.0001177400000000, 0.0000396700000000 ] - [ 0.0001784900000000, -0.0000041600000000, 0.0003184400000000 ] - [ -0.0000509800000000, -0.0000998100000000, 0.0000350000000000 ] - [ -0.0002992800000000, -0.0000253800000000, 0.0000632600000000 ] - [ 0.0049590300000000, -0.0055711100000000, -0.0389517900000000 ] - [ 0.0001170900000000, 0.0009103200000000, 0.0000827800000000 ] - [ 0.0004229200000000, 0.0001483500000000, 0.0001136700000000 ] - [ 0.0004346500000000, 0.0003777600000000, -0.0001824700000000 ] - [ -0.0001205900000000, 0.0001263000000000, 0.0000443200000000 ] - [ -0.0002735900000000, -0.0001670300000000, -0.0001423600000000 ] - [ -0.0002435000000000, -0.0000499600000000, -0.0000487100000000 ] - [ 0.0000517100000000, 0.0000315300000000, -0.0000995700000000 ] - [ 0.0001330300000000, 0.0003062000000000, 0.0002526000000000 ] - [ -0.0003326100000000, -0.0003786600000000, -0.0001853900000000 ] - [ -0.0000632900000000, -0.0004215000000000, 0.0002587400000000 ] - [ -0.0002204600000000, -0.0000966600000000, -0.0000840600000000 ] - [ -0.0001424800000000, 0.0001002800000000, 0.0003213200000000 ] - [ 0.0000546000000000, 0.0001520100000000, -0.0001655900000000 ] - [ 0.0002863200000000, 0.0000574500000000, -0.0000501400000000 ] - [ 0.0007290600000000, 0.0007899800000000, 0.0000781300000000 ] - [ 0.0002937300000000, -0.0000024500000000, 0.0000645200000000 ] - [ -0.0001270000000000, 0.0001095900000000, 0.0000909700000000 ] - [ -0.0004772300000000, -0.0000639200000000, 0.0000070300000000 ] - [ 0.0001880100000000, 0.0003723900000000, 0.0001979600000000 ] - [ 0.0003524400000000, 0.0000664900000000, -0.0001344600000000 ] - [ 0.0002369600000000, -0.0007511800000000, -0.0001019500000000 ] - [ 0.0000190600000000, 0.0003879600000000, 0.0000960100000000 ] - [ 0.0000673000000000, 0.0001214500000000, -0.0000225100000000 ] - [ 0.0003313700000000, 0.0000216400000000, -0.0000774300000000 ] - [ 0.0002155100000000, -0.0004154000000000, 0.0002310900000000 ] - [ -0.0001286000000000, -0.0003214500000000, 0.0000781700000000 ] - [ 0.0021901300000000, 0.0079040200000000, -0.0386774900000000 ] - [ 0.0042413500000000, 0.0029915700000000, 0.0014614900000000 ]- atom: 55 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001323100000000, 0.0013327700000000, 0.0000675600000000 ] - [ -0.0010167000000000, -0.0019295700000000, -0.0000957200000000 ] - [ 0.0001285800000000, 0.0003397200000000, -0.0001230100000000 ] - [ -0.0000420600000000, 0.0004990900000000, -0.0001453600000000 ] - [ 0.0003030500000000, -0.0003642100000000, 0.0000036800000000 ] - [ 0.0002237900000000, 0.0067831000000000, -0.0005569000000000 ] - [ -0.0078970700000000, 0.0004961700000000, 0.0001839800000000 ] - [ 0.0112259100000000, 0.0014939500000000, 0.0009195200000000 ] - [ 0.0001522400000000, 0.0001974500000000, -0.0000608500000000 ] - [ -0.0038794900000000, 0.0012113600000000, -0.0014392900000000 ] - [ 0.0000938400000000, 0.0001853200000000, 0.0000746900000000 ] - [ 0.0663232200000000, -0.0265490100000000, -0.0425766600000000 ] - [ -0.0036871800000000, 0.0011973900000000, 0.0014703500000000 ] - [ 0.0688754000000000, -0.0282013600000000, 0.0462327700000000 ] - [ 0.0002197600000000, -0.0002678400000000, 0.0002083800000000 ] - [ 0.0003124400000000, -0.0002173300000000, -0.0001711500000000 ] - [ 0.0068466400000000, 0.0019984700000000, -0.0002195000000000 ] - [ 0.0004426700000000, 0.0007507100000000, 0.0000564800000000 ] - [ 0.0005567900000000, 0.0007863300000000, 0.0000328700000000 ] - [ 0.0006308800000000, 0.0002746700000000, -0.0001069400000000 ] - [ -0.0005691400000000, 0.0004292700000000, -0.0000809500000000 ] - [ -0.0103524700000000, 0.0016699500000000, -0.0015785500000000 ] - [ -0.0024811800000000, 0.0004837900000000, 0.0002231300000000 ] - [ -0.0078921900000000, -0.0110147800000000, 0.0056507200000000 ] - [ -0.0052038900000000, -0.0050140900000000, 0.0002063300000000 ] - [ 0.2664317300000000, -0.0455445600000000, -0.0137913800000000 ] - [ 0.0022890500000000, 0.0009537000000000, -0.0004015700000000 ] - [ -0.0021045900000000, -0.0136198800000000, -0.0025827600000000 ] - [ -0.0019742800000000, 0.0102511700000000, 0.0030012700000000 ] - [ -0.0000776700000000, -0.0022584900000000, 0.0000351300000000 ] - [ -0.0058992900000000, 0.0023350100000000, 0.0008557800000000 ] - [ -0.0000898500000000, 0.0003358800000000, 0.0000644300000000 ] - [ -0.0004191000000000, -0.0000989700000000, 0.0001729200000000 ] - [ -0.0002506900000000, 0.0003867900000000, -0.0001399900000000 ] - [ 0.0018182300000000, 0.0011977300000000, -0.0004709800000000 ] - [ 0.0003904100000000, 0.0005776000000000, 0.0001819200000000 ] - [ -0.0018347300000000, 0.0008135500000000, -0.0001905200000000 ] - [ -0.0002902000000000, 0.0001388000000000, 0.0000286400000000 ] - [ -0.0181760100000000, -0.0062850400000000, -0.0010095200000000 ] - [ -0.0001594300000000, 0.0002506800000000, 0.0001953400000000 ] - [ 0.0006654400000000, -0.0043542300000000, 0.0001782900000000 ] - [ -0.0002391000000000, 0.0007138000000000, -0.0000171000000000 ] - [ 0.0023716200000000, -0.0016045200000000, -0.0010623600000000 ] - [ 0.0000585300000000, 0.0007914000000000, -0.0000479500000000 ] - [ 0.0104901400000000, 0.0008043700000000, -0.0007256400000000 ] - [ -0.0007694000000000, 0.0003224200000000, 0.0000329500000000 ] - [ -0.0121416700000000, -0.0049372800000000, -0.0008593400000000 ] - [ 0.0008006200000000, 0.0104300900000000, -0.0035826200000000 ] - [ 0.0181075100000000, -0.0031197600000000, 0.0121574500000000 ] - [ 0.0095045000000000, -0.0192473000000000, -0.0062260800000000 ] - [ -0.0039778800000000, -0.0028909600000000, -0.0001111300000000 ] - [ 0.0003753200000000, -0.0001976200000000, 0.0002282800000000 ] - [ 0.0004443700000000, -0.0014535400000000, -0.0001848300000000 ] - [ 0.0014432300000000, -0.0006407200000000, -0.0002825100000000 ] - [ -0.4859548300000000, 0.1363366400000000, 0.0123217200000000 ] - [ -0.0002862200000000, -0.0007950400000000, 0.0000618100000000 ] - [ 0.0003885000000000, -0.0003681500000000, 0.0000133400000000 ] - [ 0.0001664000000000, -0.0003411000000000, 0.0000396700000000 ] - [ 0.0005278800000000, 0.0028123700000000, -0.0000289600000000 ] - [ 0.0000909000000000, -0.0003056600000000, 0.0000740000000000 ] - [ -0.0025260300000000, -0.0004381200000000, 0.0005140000000000 ] - [ -0.0002353200000000, -0.0005550600000000, 0.0000069500000000 ] - [ -0.0040007700000000, 0.0033388600000000, -0.0008522500000000 ] - [ -0.0004853500000000, 0.0003855000000000, 0.0002470900000000 ] - [ 0.0388011100000000, -0.0211554200000000, 0.0004754400000000 ] - [ 0.0080140800000000, -0.0008835600000000, -0.0015351800000000 ] - [ 0.0089140600000000, -0.0024133600000000, 0.0029345900000000 ] - [ 0.0096272800000000, 0.0018966100000000, 0.0000253000000000 ] - [ -0.0013107500000000, -0.0004436500000000, 0.0001519600000000 ] - [ 0.0004890400000000, -0.0012305100000000, -0.0001711900000000 ] - [ 0.0008157100000000, 0.0005226400000000, 0.0000853800000000 ] - [ 0.0002339600000000, 0.0000033800000000, -0.0000094700000000 ] - [ -0.0000875900000000, -0.0004426900000000, 0.0003149500000000 ] - [ 0.0026269900000000, -0.0020240300000000, 0.0000513500000000 ] - [ 0.0004717000000000, 0.0015318900000000, 0.0000630000000000 ] - [ 0.0009963800000000, -0.0004706100000000, -0.0000604500000000 ] - [ 0.0118722400000000, 0.0037402500000000, -0.0015917200000000 ] - [ 0.0002298000000000, 0.0000146600000000, 0.0000858700000000 ] - [ 0.0004410400000000, 0.0000094800000000, -0.0001960000000000 ] - [ 0.0054250200000000, 0.0013542300000000, -0.0002564200000000 ] - [ 0.0022436100000000, 0.0047740500000000, 0.0008887300000000 ] - [ -0.0016885600000000, 0.0006181400000000, -0.0000666700000000 ] - [ 0.0006659300000000, -0.0002407400000000, -0.0003449800000000 ] - [ -0.0000088800000000, -0.0004967100000000, 0.0002176100000000 ] - [ -0.0041122300000000, 0.0022032600000000, -0.0010090800000000 ] - [ 0.0062257300000000, 0.0043204600000000, -0.0011427800000000 ] - [ 0.0006940500000000, -0.0004321900000000, 0.0003848300000000 ] - [ -0.0035322200000000, -0.0053568200000000, 0.0000144300000000 ] - [ 0.0004170000000000, 0.0001893200000000, 0.0000953100000000 ] - [ 0.0003430300000000, -0.0004329600000000, -0.0000406200000000 ] - [ 0.0186109700000000, 0.0106212500000000, -0.0078946100000000 ] - [ 0.0006135100000000, -0.0002307500000000, 0.0000862700000000 ] - [ 0.0061648300000000, -0.0044082500000000, -0.0002442100000000 ] - [ 0.0000226300000000, -0.0006476100000000, -0.0000764500000000 ] - [ -0.0003110400000000, 0.0000765500000000, 0.0000390000000000 ] - [ 0.0004054400000000, -0.0002170200000000, -0.0001666600000000 ] - [ -0.0015796200000000, 0.0059786800000000, 0.0012146100000000 ] - [ -0.0000191900000000, 0.0003173800000000, 0.0000779200000000 ] - [ -0.0011755700000000, -0.0008113200000000, -0.0000864500000000 ] - [ 0.0000777900000000, -0.0005579600000000, -0.0000983100000000 ] - [ -0.0107274500000000, -0.0049811800000000, 0.0004614700000000 ] - [ 0.0029319100000000, -0.0036515100000000, 0.0008361300000000 ] - [ 0.0033690300000000, -0.0004827000000000, 0.0001321200000000 ] - [ 0.0051557100000000, 0.0031475900000000, 0.0003358800000000 ]- atom: 55 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001303100000000, -0.0014500500000000, -0.0000873300000000 ] - [ 0.0010214000000000, 0.0017844100000000, 0.0000752900000000 ] - [ 0.0000309100000000, -0.0001872100000000, -0.0001286100000000 ] - [ 0.0001966600000000, -0.0006397100000000, -0.0001063000000000 ] - [ -0.0003007800000000, 0.0004935800000000, -0.0000235700000000 ] - [ -0.0002582000000000, -0.0066318400000000, 0.0005420100000000 ] - [ 0.0076911500000000, -0.0003451900000000, -0.0004352600000000 ] - [ -0.0113102900000000, -0.0017191100000000, -0.0011659100000000 ] - [ 0.0002679200000000, -0.0000995300000000, -0.0001061600000000 ] - [ 0.0034357300000000, -0.0012968200000000, 0.0012673300000000 ] - [ 0.0001981100000000, -0.0000908500000000, 0.0001308800000000 ] - [ -0.0678357100000000, 0.0279226100000000, 0.0449571200000000 ] - [ 0.0033734200000000, -0.0012805300000000, -0.0012595500000000 ] - [ -0.0704613200000000, 0.0295681800000000, -0.0486664300000000 ] - [ 0.0000776300000000, 0.0001799000000000, -0.0000047100000000 ] - [ 0.0001137400000000, 0.0001263000000000, 0.0000061800000000 ] - [ -0.0065920500000000, -0.0025369800000000, 0.0001738400000000 ] - [ -0.0005832900000000, -0.0002932800000000, 0.0000180300000000 ] - [ -0.0003552700000000, -0.0007254500000000, 0.0000708100000000 ] - [ -0.0000314400000000, -0.0005241800000000, -0.0000964400000000 ] - [ 0.0011662600000000, -0.0001704500000000, -0.0001225900000000 ] - [ 0.0105163800000000, -0.0011148100000000, 0.0015286000000000 ] - [ 0.0022291500000000, -0.0004599100000000, -0.0003016700000000 ] - [ 0.0076550900000000, 0.0108671300000000, -0.0055003700000000 ] - [ 0.0053183800000000, 0.0054473700000000, -0.0001320300000000 ] - [ -0.2507773800000000, 0.0415169400000000, 0.0127607800000000 ] - [ -0.0016978200000000, -0.0010537800000000, 0.0002858600000000 ] - [ 0.0017403800000000, 0.0133015900000000, 0.0021791900000000 ] - [ 0.0015758600000000, -0.0103984400000000, -0.0026718500000000 ] - [ -0.0003145000000000, 0.0024511700000000, -0.0004122300000000 ] - [ 0.0064592700000000, -0.0022289900000000, -0.0009640900000000 ] - [ 0.0002979400000000, -0.0003813700000000, 0.0000397900000000 ] - [ 0.0006523500000000, 0.0000836700000000, -0.0002516000000000 ] - [ 0.0006405000000000, -0.0005864000000000, -0.0002384500000000 ] - [ -0.0014407900000000, -0.0009658400000000, 0.0000940200000000 ] - [ -0.0000022800000000, -0.0003578200000000, 0.0001210700000000 ] - [ 0.0012334400000000, -0.0009329400000000, 0.0000776700000000 ] - [ 0.0001447400000000, -0.0005813400000000, 0.0000456500000000 ] - [ 0.0175247600000000, 0.0060385500000000, 0.0008095900000000 ] - [ 0.0005483900000000, -0.0004577900000000, 0.0001067500000000 ] - [ -0.0008756200000000, 0.0043877200000000, -0.0000761700000000 ] - [ -0.0003394300000000, -0.0005939600000000, -0.0000940500000000 ] - [ -0.0021195700000000, 0.0016355800000000, 0.0009695300000000 ] - [ -0.0002664900000000, -0.0002322400000000, -0.0000021200000000 ] - [ -0.0105539500000000, -0.0007444100000000, 0.0006282900000000 ] - [ 0.0005532300000000, -0.0008763900000000, -0.0000839300000000 ] - [ 0.0116883900000000, 0.0051269200000000, 0.0011516300000000 ] - [ -0.0013914000000000, -0.0101082100000000, 0.0033400100000000 ] - [ -0.0183046400000000, 0.0032866400000000, -0.0121608500000000 ] - [ -0.0096512800000000, 0.0191599900000000, 0.0065920400000000 ] - [ 0.0033536300000000, 0.0030045200000000, -0.0000563300000000 ] - [ -0.0000877400000000, 0.0003957100000000, 0.0002496900000000 ] - [ 0.0000896500000000, 0.0013449400000000, 0.0000851100000000 ] - [ -0.0015478300000000, 0.0008151200000000, 0.0002292300000000 ] - [ 0.4721421200000000, -0.1356125500000000, -0.0110651400000000 ] - [ 0.0001697100000000, 0.0006173900000000, -0.0001109300000000 ] - [ 0.0000302100000000, 0.0003100400000000, -0.0000136300000000 ] - [ -0.0000956100000000, 0.0000877200000000, 0.0000337300000000 ] - [ -0.0009283900000000, -0.0027477700000000, 0.0000338600000000 ] - [ 0.0001086100000000, 0.0002471000000000, 0.0000943300000000 ] - [ 0.0026221800000000, 0.0003294700000000, -0.0006985200000000 ] - [ 0.0006547800000000, 0.0005973600000000, -0.0000064200000000 ] - [ 0.0038251400000000, -0.0032573000000000, 0.0006433700000000 ] - [ 0.0005116700000000, -0.0006498000000000, -0.0001741300000000 ] - [ -0.0393395100000000, 0.0222526000000000, -0.0003077900000000 ] - [ -0.0083428300000000, 0.0007893300000000, 0.0021772600000000 ] - [ -0.0095082300000000, 0.0022684100000000, -0.0031066000000000 ] - [ -0.0097105100000000, -0.0019192200000000, 0.0001562000000000 ] - [ 0.0018877400000000, 0.0004136500000000, -0.0000283200000000 ] - [ 0.0002665900000000, 0.0005001300000000, -0.0002023200000000 ] - [ -0.0009277000000000, -0.0005932500000000, -0.0002848600000000 ] - [ -0.0001940000000000, 0.0002492000000000, 0.0000799200000000 ] - [ 0.0004553500000000, 0.0003584600000000, 0.0003180000000000 ] - [ -0.0026477300000000, 0.0017530700000000, 0.0000206400000000 ] - [ -0.0010389100000000, -0.0015443800000000, 0.0000628000000000 ] - [ -0.0003899300000000, 0.0006123600000000, -0.0001042600000000 ] - [ -0.0125602200000000, -0.0029844700000000, 0.0011989400000000 ] - [ -0.0000351800000000, 0.0000357600000000, 0.0000825400000000 ] - [ 0.0003082700000000, 0.0007135200000000, -0.0001771800000000 ] - [ -0.0054648800000000, -0.0011020000000000, 0.0003281600000000 ] - [ -0.0027259900000000, -0.0049849100000000, -0.0011285300000000 ] - [ 0.0011675400000000, -0.0007150600000000, -0.0000328400000000 ] - [ -0.0005459100000000, 0.0003081800000000, 0.0001418000000000 ] - [ 0.0002957500000000, 0.0002875600000000, 0.0002609000000000 ] - [ 0.0033399100000000, -0.0029138700000000, 0.0006281000000000 ] - [ -0.0064792200000000, -0.0045091000000000, 0.0016110200000000 ] - [ -0.0003218300000000, 0.0005087500000000, 0.0002484300000000 ] - [ 0.0031308200000000, 0.0054059400000000, 0.0006111300000000 ] - [ -0.0002136700000000, -0.0009033200000000, 0.0000710100000000 ] - [ 0.0001688600000000, 0.0005273600000000, -0.0000589600000000 ] - [ -0.0187368900000000, -0.0104985400000000, 0.0077632900000000 ] - [ -0.0000395200000000, 0.0002455400000000, 0.0000400300000000 ] - [ -0.0063200500000000, 0.0044361500000000, 0.0004079600000000 ] - [ 0.0004778500000000, 0.0004081400000000, -0.0001733700000000 ] - [ 0.0003782900000000, 0.0001691500000000, 0.0000339700000000 ] - [ 0.0000956600000000, 0.0004432400000000, -0.0000826600000000 ] - [ 0.0009622400000000, -0.0059058400000000, -0.0010775100000000 ] - [ 0.0002246200000000, 0.0003956700000000, 0.0000878800000000 ] - [ 0.0012831500000000, 0.0009720500000000, 0.0000359400000000 ] - [ 0.0005200400000000, 0.0004096600000000, -0.0000667400000000 ] - [ 0.0107206600000000, 0.0050993600000000, -0.0003907100000000 ] - [ -0.0031151600000000, 0.0029099000000000, -0.0006594600000000 ] - [ -0.0032384200000000, 0.0003253400000000, -0.0001799400000000 ] - [ -0.0056531900000000, -0.0030189100000000, -0.0004277600000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005623600000000, -0.0020138400000000, -0.0000866400000000 ] - [ -0.0009063100000000, -0.0007173500000000, 0.0001107100000000 ] - [ -0.0000047600000000, -0.0018822800000000, -0.0001544000000000 ] - [ 0.0003240600000000, -0.0019742100000000, -0.0000966000000000 ] - [ -0.0003265000000000, -0.0020687900000000, 0.0000574600000000 ] - [ 0.0025518000000000, -0.0040019800000000, 0.0001431800000000 ] - [ 0.0010406900000000, 0.0045396700000000, -0.0004270700000000 ] - [ 0.0004159300000000, 0.0179215500000000, 0.0023834500000000 ] - [ 0.0003043300000000, -0.0012985200000000, 0.0000312700000000 ] - [ 0.0016813200000000, -0.0000491800000000, -0.0001689200000000 ] - [ 0.0002438900000000, -0.0012976500000000, 0.0000029700000000 ] - [ -0.0256977300000000, 0.0410286600000000, 0.0273984200000000 ] - [ 0.0014400600000000, 0.0000574900000000, 0.0003041300000000 ] - [ -0.0279141300000000, 0.0435454300000000, -0.0300164900000000 ] - [ -0.0003312100000000, -0.0015412000000000, 0.0004141400000000 ] - [ -0.0002838300000000, -0.0015405400000000, -0.0004074000000000 ] - [ -0.0003095400000000, -0.0037871900000000, -0.0006408000000000 ] - [ -0.0002660300000000, -0.0025524500000000, 0.0000806000000000 ] - [ 0.0005311500000000, -0.0026599000000000, 0.0000348500000000 ] - [ 0.0000979700000000, -0.0024786200000000, -0.0001932700000000 ] - [ 0.0001627600000000, -0.0017216700000000, -0.0000231600000000 ] - [ 0.0003833500000000, 0.0018873800000000, 0.0009334200000000 ] - [ -0.0004247300000000, -0.0014969800000000, -0.0001706400000000 ] - [ -0.0008970000000000, 0.0093459400000000, 0.0035383200000000 ] - [ -0.0006254100000000, 0.0048864400000000, -0.0006008000000000 ] - [ -0.0456647200000000, 0.0412147700000000, 0.0033855800000000 ] - [ 0.0000446500000000, -0.0035223200000000, 0.0002176400000000 ] - [ -0.0049367400000000, 0.0003262800000000, 0.0001589200000000 ] - [ 0.0044697800000000, 0.0049122600000000, -0.0069167400000000 ] - [ -0.0015427500000000, -0.0013701000000000, -0.0001465800000000 ] - [ -0.0002313500000000, -0.0000220000000000, -0.0002380900000000 ] - [ 0.0004429500000000, -0.0020968500000000, 0.0000495800000000 ] - [ 0.0001178100000000, -0.0018586300000000, 0.0001028000000000 ] - [ 0.0005702200000000, -0.0020430300000000, -0.0002079500000000 ] - [ 0.0015898200000000, -0.0032220200000000, -0.0003248600000000 ] - [ 0.0000888900000000, -0.0023059700000000, 0.0000652900000000 ] - [ 0.0014477300000000, -0.0007896900000000, 0.0001477500000000 ] - [ 0.0000267700000000, -0.0025055200000000, -0.0000102300000000 ] - [ 0.0067715300000000, 0.0076902000000000, 0.0004188500000000 ] - [ 0.0000651000000000, -0.0021770200000000, 0.0002607600000000 ] - [ -0.0036500400000000, 0.0010978400000000, -0.0008545800000000 ] - [ 0.0004654500000000, -0.0025911700000000, -0.0001017000000000 ] - [ -0.0005596400000000, -0.0036180700000000, 0.0002350100000000 ] - [ -0.0000577800000000, -0.0022264800000000, -0.0000006100000000 ] - [ -0.0080173200000000, -0.0070640900000000, 0.0007827800000000 ] - [ 0.0005125500000000, -0.0016711800000000, 0.0000833600000000 ] - [ -0.0030578600000000, 0.0043597700000000, 0.0005030300000000 ] - [ 0.0019817900000000, -0.0062761400000000, 0.0025251600000000 ] - [ -0.0064311400000000, -0.0122399200000000, -0.0024920700000000 ] - [ -0.0185321600000000, 0.0109743300000000, 0.0101127500000000 ] - [ -0.0003152700000000, 0.0037267400000000, -0.0000281700000000 ] - [ 0.0002650600000000, 0.0020612600000000, 0.0002990900000000 ] - [ -0.0012645100000000, 0.0013493300000000, 0.0000278200000000 ] - [ -0.0004590500000000, 0.0007859100000000, 0.0000798200000000 ] - [ 0.1370775000000000, -0.1343936500000000, -0.0046377000000000 ] - [ -0.0005770100000000, 0.0025324500000000, -0.0000246700000000 ] - [ -0.0001309100000000, 0.0018278200000000, -0.0000486700000000 ] - [ 0.0002522600000000, 0.0013085600000000, 0.0000502000000000 ] - [ 0.0030247500000000, -0.0003400500000000, 0.0004645500000000 ] - [ -0.0003280600000000, 0.0015409100000000, 0.0000890000000000 ] - [ 0.0003413000000000, 0.0036853500000000, -0.0007726700000000 ] - [ 0.0002081300000000, 0.0024431400000000, -0.0000309200000000 ] - [ 0.0028798900000000, 0.0019949000000000, 0.0001028600000000 ] - [ 0.0012926100000000, 0.0022658400000000, 0.0000425000000000 ] - [ -0.0251265800000000, -0.0017968600000000, -0.0007242900000000 ] - [ -0.0002857200000000, -0.0038618100000000, 0.0023194400000000 ] - [ -0.0025978000000000, -0.0013135100000000, -0.0011537600000000 ] - [ 0.0050687800000000, -0.0099513400000000, 0.0009997900000000 ] - [ -0.0003707200000000, 0.0023278300000000, 0.0002484800000000 ] - [ -0.0000156100000000, 0.0009964000000000, -0.0002670200000000 ] - [ 0.0005107900000000, 0.0013256900000000, -0.0002898600000000 ] - [ -0.0004365700000000, 0.0018722400000000, 0.0000314700000000 ] - [ 0.0008227800000000, 0.0018208000000000, 0.0002486800000000 ] - [ -0.0006328600000000, 0.0006196400000000, 0.0000439400000000 ] - [ 0.0006889500000000, 0.0006512800000000, 0.0001682100000000 ] - [ -0.0003769000000000, 0.0012953800000000, -0.0001508400000000 ] - [ -0.0005656400000000, -0.0024744100000000, -0.0017540300000000 ] - [ 0.0007089500000000, 0.0016551800000000, 0.0000910000000000 ] - [ -0.0000837300000000, 0.0018741600000000, -0.0000894700000000 ] - [ -0.0012694500000000, -0.0019376700000000, 0.0004045500000000 ] - [ 0.0012491100000000, -0.0032316200000000, -0.0008120300000000 ] - [ 0.0005405900000000, 0.0014327900000000, -0.0000311600000000 ] - [ 0.0003053600000000, 0.0013735900000000, 0.0000909900000000 ] - [ 0.0001039600000000, 0.0022393700000000, 0.0002094600000000 ] - [ 0.0015999400000000, 0.0013743600000000, -0.0012771300000000 ] - [ -0.0007052500000000, -0.0057840100000000, -0.0005849400000000 ] - [ -0.0002992900000000, 0.0014042700000000, 0.0003447600000000 ] - [ -0.0019806200000000, 0.0018323000000000, -0.0002893700000000 ] - [ 0.0003885300000000, 0.0008860900000000, 0.0000613200000000 ] - [ -0.0004694100000000, 0.0013576100000000, -0.0000543100000000 ] - [ 0.0076203100000000, -0.0069931500000000, -0.0045433100000000 ] - [ 0.0003692200000000, 0.0014761500000000, -0.0001148600000000 ] - [ -0.0036416900000000, -0.0011720400000000, 0.0023541600000000 ] - [ 0.0003783100000000, 0.0022714100000000, -0.0000320600000000 ] - [ -0.0000071600000000, 0.0017494400000000, 0.0000362000000000 ] - [ 0.0001035800000000, 0.0021112200000000, -0.0002086000000000 ] - [ 0.0042830300000000, -0.0013346500000000, 0.0007574000000000 ] - [ 0.0001385500000000, 0.0020134600000000, 0.0000728400000000 ] - [ -0.0002813600000000, 0.0026645100000000, 0.0000471700000000 ] - [ 0.0006867300000000, 0.0020198000000000, -0.0000066300000000 ] - [ -0.0038774700000000, 0.0041409200000000, -0.0016105100000000 ] - [ -0.0032482500000000, 0.0017971500000000, -0.0004266300000000 ] - [ -0.0003494800000000, -0.0006224800000000, 0.0002201000000000 ] - [ 0.0011214000000000, -0.0000034600000000, -0.0001447400000000 ]- atom: 55 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005669100000000, 0.0018846500000000, 0.0000664300000000 ] - [ 0.0009041400000000, 0.0005965200000000, -0.0001291700000000 ] - [ 0.0001627700000000, 0.0020340400000000, -0.0000966400000000 ] - [ -0.0001656300000000, 0.0018336300000000, -0.0001545800000000 ] - [ 0.0003288000000000, 0.0022070500000000, -0.0000771400000000 ] - [ -0.0025372200000000, 0.0041296200000000, -0.0001612400000000 ] - [ -0.0011900400000000, -0.0044086500000000, 0.0001720000000000 ] - [ -0.0010107000000000, -0.0190778400000000, -0.0026945600000000 ] - [ 0.0001172900000000, 0.0013967800000000, -0.0001993200000000 ] - [ -0.0021013900000000, -0.0000536000000000, 0.0000057600000000 ] - [ 0.0000494300000000, 0.0013924400000000, 0.0002035700000000 ] - [ 0.0246907300000000, -0.0410004800000000, -0.0264262600000000 ] - [ -0.0017306300000000, -0.0001589400000000, -0.0001034700000000 ] - [ 0.0268446100000000, -0.0435689600000000, 0.0291452800000000 ] - [ 0.0006236200000000, 0.0014534000000000, -0.0002082700000000 ] - [ 0.0007044900000000, 0.0014493700000000, 0.0002400700000000 ] - [ 0.0004941000000000, 0.0032443500000000, 0.0005950600000000 ] - [ 0.0001223200000000, 0.0030063700000000, -0.0000069000000000 ] - [ -0.0003222300000000, 0.0027147900000000, 0.0000687900000000 ] - [ 0.0004998900000000, 0.0022281800000000, -0.0000101700000000 ] - [ 0.0004341000000000, 0.0019850800000000, -0.0001807900000000 ] - [ -0.0001656400000000, -0.0013302400000000, -0.0009823400000000 ] - [ 0.0001981100000000, 0.0015146000000000, 0.0000908600000000 ] - [ 0.0007051100000000, -0.0093548800000000, -0.0034486300000000 ] - [ 0.0007904700000000, -0.0044712200000000, 0.0006692000000000 ] - [ 0.0452353900000000, -0.0409173400000000, -0.0032751500000000 ] - [ 0.0005263500000000, 0.0034251800000000, -0.0003308800000000 ] - [ 0.0045167000000000, -0.0004938900000000, -0.0005259000000000 ] - [ -0.0048739600000000, -0.0052010200000000, 0.0072324400000000 ] - [ 0.0011647100000000, 0.0015887800000000, -0.0002351900000000 ] - [ 0.0008140800000000, 0.0001415300000000, 0.0001251700000000 ] - [ -0.0002376000000000, 0.0020511800000000, 0.0000546700000000 ] - [ 0.0001217400000000, 0.0018448400000000, -0.0001842500000000 ] - [ -0.0001800200000000, 0.0018411100000000, -0.0001707700000000 ] - [ -0.0011929800000000, 0.0034310400000000, -0.0000536600000000 ] - [ 0.0002984500000000, 0.0025237800000000, 0.0002375800000000 ] - [ -0.0020209300000000, 0.0006863100000000, -0.0002597400000000 ] - [ -0.0001697900000000, 0.0020643400000000, 0.0000848400000000 ] - [ -0.0074079000000000, -0.0079745500000000, -0.0006279400000000 ] - [ 0.0003211700000000, 0.0019715900000000, 0.0000418400000000 ] - [ 0.0034725400000000, -0.0010608000000000, 0.0009701300000000 ] - [ -0.0010471400000000, 0.0027110400000000, -0.0000099700000000 ] - [ 0.0007950100000000, 0.0036318100000000, -0.0003166900000000 ] - [ -0.0001501900000000, 0.0027849800000000, -0.0000498800000000 ] - [ 0.0077714400000000, 0.0070519900000000, -0.0008705100000000 ] - [ -0.0007179100000000, 0.0011280700000000, -0.0001336100000000 ] - [ 0.0026185100000000, -0.0041898400000000, -0.0002026300000000 ] - [ -0.0026100700000000, 0.0065145600000000, -0.0027228300000000 ] - [ 0.0058846300000000, 0.0125200500000000, 0.0022175800000000 ] - [ 0.0184402400000000, -0.0108465500000000, -0.0097501300000000 ] - [ -0.0002674700000000, -0.0035959900000000, -0.0001390000000000 ] - [ 0.0000219900000000, -0.0018659600000000, 0.0001790400000000 ] - [ 0.0017714600000000, -0.0014569400000000, -0.0001266300000000 ] - [ 0.0003406700000000, -0.0006240300000000, -0.0001291100000000 ] - [ -0.1347541800000000, 0.1347366600000000, 0.0047903700000000 ] - [ 0.0004651200000000, -0.0027107200000000, -0.0000255500000000 ] - [ 0.0005478900000000, -0.0018845900000000, 0.0000477100000000 ] - [ -0.0001800700000000, -0.0015624100000000, 0.0000232000000000 ] - [ -0.0034822500000000, 0.0003924200000000, -0.0004754800000000 ] - [ 0.0005221300000000, -0.0015989600000000, 0.0000796500000000 ] - [ -0.0002266700000000, -0.0037616400000000, 0.0005784500000000 ] - [ 0.0002062800000000, -0.0023955700000000, 0.0000298000000000 ] - [ -0.0029786300000000, -0.0019223200000000, -0.0003136600000000 ] - [ -0.0012504500000000, -0.0025247300000000, 0.0000293000000000 ] - [ 0.0248053100000000, 0.0024954800000000, 0.0008843000000000 ] - [ -0.0000801500000000, 0.0037888700000000, -0.0016822100000000 ] - [ 0.0019929800000000, 0.0011716300000000, 0.0009862800000000 ] - [ -0.0051965700000000, 0.0099181700000000, -0.0008137900000000 ] - [ 0.0009408700000000, -0.0023482100000000, -0.0001229400000000 ] - [ 0.0007612400000000, -0.0017290500000000, -0.0001069500000000 ] - [ -0.0006328800000000, -0.0014033900000000, 0.0000882900000000 ] - [ 0.0004787700000000, -0.0016213500000000, 0.0000398500000000 ] - [ -0.0004535900000000, -0.0019035100000000, 0.0003848000000000 ] - [ 0.0005827900000000, -0.0008662200000000, 0.0000268800000000 ] - [ -0.0012698000000000, -0.0006707500000000, -0.0000422600000000 ] - [ 0.0009791000000000, -0.0011606500000000, -0.0000145400000000 ] - [ -0.0001978100000000, 0.0031939300000000, 0.0013840100000000 ] - [ -0.0005162900000000, -0.0016051200000000, 0.0000775500000000 ] - [ 0.0008339000000000, -0.0011503600000000, -0.0002844700000000 ] - [ 0.0011900400000000, 0.0022006200000000, -0.0003302900000000 ] - [ -0.0017541700000000, 0.0030344000000000, 0.0005710900000000 ] - [ -0.0010539900000000, -0.0015455000000000, -0.0000679600000000 ] - [ -0.0001918100000000, -0.0013024700000000, -0.0002911600000000 ] - [ 0.0001835200000000, -0.0024471600000000, 0.0002687800000000 ] - [ -0.0023510100000000, -0.0021138500000000, 0.0009169200000000 ] - [ 0.0004246700000000, 0.0056022500000000, 0.0010535600000000 ] - [ 0.0006716200000000, -0.0013320000000000, 0.0002882000000000 ] - [ 0.0016384800000000, -0.0017471900000000, 0.0009305500000000 ] - [ -0.0001846700000000, -0.0016090600000000, 0.0001050000000000 ] - [ 0.0009848900000000, -0.0012572300000000, -0.0000450400000000 ] - [ -0.0080431000000000, 0.0069080100000000, 0.0045323800000000 ] - [ 0.0002017200000000, -0.0014610300000000, 0.0002412300000000 ] - [ 0.0034470100000000, 0.0012548200000000, -0.0021973700000000 ] - [ 0.0001206400000000, -0.0025073800000000, -0.0002173600000000 ] - [ 0.0000819900000000, -0.0015034600000000, 0.0000372200000000 ] - [ 0.0003966000000000, -0.0018861600000000, -0.0000404600000000 ] - [ -0.0048330700000000, 0.0013407100000000, -0.0006178800000000 ] - [ 0.0000641200000000, -0.0013011100000000, 0.0000935100000000 ] - [ 0.0004010600000000, -0.0025023000000000, -0.0000974100000000 ] - [ -0.0000857300000000, -0.0021670700000000, -0.0001588600000000 ] - [ 0.0037964200000000, -0.0038950800000000, 0.0016828800000000 ] - [ 0.0030558700000000, -0.0025099400000000, 0.0005935300000000 ] - [ 0.0004603900000000, 0.0004448100000000, -0.0002703900000000 ] - [ -0.0016372300000000, 0.0000934400000000, 0.0000444200000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000500700000000, -0.0002174200000000, -0.0000310200000000 ] - [ -0.0000212400000000, -0.0002471100000000, -0.0000700900000000 ] - [ 0.0000800500000000, 0.0000483100000000, -0.0001279700000000 ] - [ 0.0000773500000000, -0.0001036700000000, -0.0001252900000000 ] - [ -0.0000170700000000, 0.0000638900000000, -0.0000147900000000 ] - [ 0.0000477800000000, -0.0000520800000000, -0.0003727500000000 ] - [ -0.0001991500000000, -0.0002187800000000, 0.0006777800000000 ] - [ 0.0003735100000000, 0.0011201600000000, 0.0040383800000000 ] - [ 0.0002080700000000, 0.0000379500000000, -0.0000861600000000 ] - [ 0.0002313800000000, 0.0002195000000000, -0.0006993300000000 ] - [ 0.0001447400000000, 0.0000360100000000, 0.0001060400000000 ] - [ -0.0480678100000000, 0.0309684400000000, 0.0639098100000000 ] - [ 0.0000031500000000, 0.0005327500000000, 0.0008164200000000 ] - [ 0.0471170200000000, -0.0323331200000000, 0.0665201800000000 ] - [ 0.0001580600000000, -0.0000282600000000, 0.0000772800000000 ] - [ 0.0002379300000000, -0.0000368800000000, -0.0000582300000000 ] - [ 0.0004968500000000, 0.0000133800000000, -0.0008694500000000 ] - [ -0.0000920500000000, 0.0002055300000000, 0.0000507700000000 ] - [ 0.0000973300000000, -0.0000247800000000, 0.0000112100000000 ] - [ 0.0002836800000000, -0.0001532800000000, -0.0001117300000000 ] - [ 0.0003203700000000, 0.0000887300000000, -0.0001050600000000 ] - [ -0.0002637500000000, 0.0003520400000000, 0.0003063900000000 ] - [ -0.0001143200000000, 0.0000488000000000, -0.0000154000000000 ] - [ -0.0014544500000000, -0.0058857100000000, -0.0067531000000000 ] - [ -0.0000378800000000, 0.0008742400000000, -0.0002852700000000 ] - [ -0.0148612900000000, 0.0020087000000000, 0.0271974600000000 ] - [ 0.0001616100000000, -0.0002724400000000, 0.0001885900000000 ] - [ -0.0010709900000000, 0.0024992900000000, 0.0023720100000000 ] - [ 0.0013430700000000, 0.0055802400000000, -0.0071035400000000 ] - [ -0.0003140400000000, 0.0002767400000000, -0.0002573800000000 ] - [ 0.0009537800000000, -0.0002884100000000, -0.0000880300000000 ] - [ 0.0001360300000000, -0.0000547500000000, 0.0000533300000000 ] - [ 0.0001501400000000, 0.0000154000000000, -0.0000441300000000 ] - [ 0.0002553900000000, -0.0001143300000000, -0.0001982300000000 ] - [ 0.0000197100000000, -0.0000090800000000, 0.0000256800000000 ] - [ 0.0001774200000000, 0.0000731800000000, 0.0001476000000000 ] - [ -0.0003097400000000, -0.0001734100000000, -0.0001283600000000 ] - [ -0.0000622300000000, -0.0002566900000000, 0.0000331400000000 ] - [ -0.0002062200000000, -0.0006085200000000, -0.0009291100000000 ] - [ 0.0002185000000000, -0.0001349900000000, 0.0001521600000000 ] - [ -0.0002318300000000, 0.0001398500000000, 0.0001697600000000 ] - [ -0.0003403100000000, 0.0000499200000000, -0.0001294600000000 ] - [ 0.0000489100000000, -0.0000741300000000, -0.0001473700000000 ] - [ -0.0001174300000000, 0.0002218600000000, 0.0000050700000000 ] - [ 0.0003739800000000, -0.0001136200000000, -0.0003294800000000 ] - [ -0.0000803200000000, -0.0003201800000000, -0.0000151500000000 ] - [ 0.0004107600000000, 0.0004666700000000, 0.0030306600000000 ] - [ -0.0015823600000000, -0.0026244200000000, 0.0034978100000000 ] - [ 0.0182683000000000, -0.0021813800000000, 0.0088287100000000 ] - [ -0.0095032000000000, 0.0117313400000000, -0.0016161300000000 ] - [ 0.0000090600000000, 0.0008084700000000, -0.0001450500000000 ] - [ 0.0001363500000000, 0.0001347100000000, 0.0002355300000000 ] - [ 0.0003060600000000, -0.0000282800000000, -0.0000680800000000 ] - [ -0.0001731700000000, 0.0001745500000000, 0.0000199900000000 ] - [ 0.0151871900000000, -0.0068359800000000, -0.1985438600000000 ] - [ -0.0000413700000000, 0.0000345900000000, -0.0000332300000000 ] - [ 0.0001894100000000, -0.0000051700000000, -0.0000030100000000 ] - [ 0.0000339400000000, -0.0001102700000000, 0.0000382700000000 ] - [ -0.0002825100000000, -0.0002339700000000, -0.0000309700000000 ] - [ 0.0000993300000000, -0.0000106200000000, 0.0000860600000000 ] - [ -0.0003565600000000, -0.0008090300000000, 0.0000108700000000 ] - [ 0.0002617400000000, 0.0000246900000000, 0.0000016600000000 ] - [ 0.0005736400000000, -0.0005632100000000, -0.0000004500000000 ] - [ -0.0000392400000000, -0.0001758300000000, 0.0000415600000000 ] - [ 0.0004148500000000, 0.0007875800000000, -0.0012640900000000 ] - [ 0.0005554400000000, -0.0001801000000000, 0.0000820700000000 ] - [ -0.0005092400000000, 0.0001673700000000, 0.0000631300000000 ] - [ -0.0010770200000000, 0.0001371800000000, 0.0170150200000000 ] - [ 0.0003767000000000, 0.0000982600000000, 0.0001090600000000 ] - [ 0.0003860800000000, -0.0003241100000000, -0.0001904500000000 ] - [ -0.0000573600000000, -0.0001005800000000, -0.0000774900000000 ] - [ 0.0000227000000000, 0.0001278900000000, 0.0000372000000000 ] - [ 0.0002083300000000, -0.0000010100000000, 0.0003169600000000 ] - [ 0.0000733600000000, -0.0005209000000000, -0.0000312000000000 ] - [ -0.0002591600000000, -0.0000227300000000, 0.0000409300000000 ] - [ 0.0002730800000000, 0.0001333400000000, -0.0000870800000000 ] - [ 0.0009775200000000, 0.0015777200000000, 0.0009039900000000 ] - [ 0.0000802800000000, 0.0000288700000000, 0.0000840100000000 ] - [ 0.0003599700000000, 0.0004094900000000, -0.0001897700000000 ] - [ -0.0003353400000000, -0.0002444800000000, 0.0001933800000000 ] - [ -0.0001295800000000, 0.0001359000000000, -0.0001938800000000 ] - [ -0.0000874800000000, -0.0000416000000000, -0.0000799400000000 ] - [ 0.0000330200000000, -0.0000054100000000, -0.0001339500000000 ] - [ 0.0001491500000000, -0.0000808800000000, 0.0002398200000000 ] - [ -0.0004594100000000, -0.0004288700000000, -0.0004145500000000 ] - [ -0.0013878800000000, -0.0006844500000000, 0.0012413200000000 ] - [ 0.0001618400000000, 0.0000729900000000, 0.0003194900000000 ] - [ 0.0000572400000000, -0.0015418200000000, 0.0004511400000000 ] - [ 0.0000686200000000, -0.0002977700000000, 0.0000963400000000 ] - [ 0.0002411800000000, 0.0000789200000000, -0.0000451000000000 ] - [ -0.0093755900000000, -0.0035328000000000, -0.0005092300000000 ] - [ 0.0002433600000000, 0.0000216000000000, 0.0000655900000000 ] - [ 0.0004213400000000, -0.0020698400000000, 0.0018895500000000 ] - [ 0.0002602900000000, -0.0000653400000000, -0.0001248000000000 ] - [ 0.0000349000000000, 0.0001264900000000, 0.0000292200000000 ] - [ 0.0002364700000000, 0.0001428300000000, -0.0001209200000000 ] - [ 0.0003264500000000, 0.0014247500000000, 0.0005115300000000 ] - [ 0.0001118400000000, 0.0003667800000000, 0.0000847400000000 ] - [ 0.0000130600000000, -0.0000908100000000, -0.0000330300000000 ] - [ 0.0003201300000000, -0.0000695300000000, -0.0000816800000000 ] - [ 0.0000133400000000, 0.0007553700000000, 0.0179674300000000 ] - [ -0.0013321500000000, 0.0007758300000000, -0.0006777700000000 ] - [ 0.0001507900000000, 0.0001635900000000, -0.0001856500000000 ] - [ -0.0009622800000000, -0.0007798400000000, -0.0004148400000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000502100000000, 0.0000825800000000, 0.0000106600000000 ] - [ 0.0000211000000000, 0.0001208300000000, 0.0000507500000000 ] - [ 0.0000783700000000, 0.0000959300000000, -0.0001234300000000 ] - [ 0.0000817900000000, -0.0000460300000000, -0.0001260100000000 ] - [ 0.0000171200000000, 0.0000643900000000, -0.0000051800000000 ] - [ -0.0000389600000000, 0.0001797900000000, 0.0003503400000000 ] - [ 0.0000532200000000, 0.0003684300000000, -0.0009275300000000 ] - [ -0.0005394500000000, -0.0011854500000000, -0.0042832000000000 ] - [ 0.0002132200000000, 0.0000542700000000, -0.0000810500000000 ] - [ -0.0006442500000000, -0.0003185500000000, 0.0005380500000000 ] - [ 0.0001482500000000, 0.0000527400000000, 0.0000998900000000 ] - [ 0.0451550100000000, -0.0291705000000000, -0.0618144800000000 ] - [ -0.0002883700000000, -0.0006287100000000, -0.0006159300000000 ] - [ -0.0503097700000000, 0.0341996800000000, -0.0687948800000000 ] - [ 0.0001335000000000, -0.0000641200000000, 0.0001292400000000 ] - [ 0.0001817000000000, -0.0000591700000000, -0.0001097200000000 ] - [ -0.0003027000000000, -0.0005683000000000, 0.0008160600000000 ] - [ -0.0000528700000000, 0.0002370900000000, 0.0000232500000000 ] - [ 0.0001112900000000, 0.0000692900000000, 0.0000927200000000 ] - [ 0.0003133800000000, -0.0001074300000000, -0.0000923400000000 ] - [ 0.0002782500000000, 0.0001662500000000, -0.0000990300000000 ] - [ 0.0004909300000000, 0.0001982000000000, -0.0003592000000000 ] - [ -0.0001180300000000, -0.0000343500000000, -0.0000659600000000 ] - [ 0.0012387900000000, 0.0058596600000000, 0.0068350000000000 ] - [ 0.0001914600000000, -0.0004124800000000, 0.0003642000000000 ] - [ 0.0134593200000000, -0.0021566900000000, -0.0269419700000000 ] - [ 0.0004120800000000, 0.0001546000000000, -0.0002990000000000 ] - [ 0.0006805200000000, -0.0026717200000000, -0.0027412900000000 ] - [ -0.0017493700000000, -0.0057910400000000, 0.0073818200000000 ] - [ -0.0000797700000000, -0.0000697700000000, -0.0001207700000000 ] - [ -0.0003705900000000, 0.0004036100000000, -0.0000238500000000 ] - [ 0.0000717300000000, 0.0000009300000000, 0.0000508900000000 ] - [ 0.0000879300000000, -0.0000359500000000, -0.0000358500000000 ] - [ 0.0001377900000000, -0.0000950200000000, -0.0001805900000000 ] - [ 0.0003757500000000, 0.0002016100000000, -0.0004032900000000 ] - [ 0.0002088100000000, 0.0001341300000000, 0.0001551500000000 ] - [ -0.0002584600000000, 0.0000629600000000, 0.0000162500000000 ] - [ -0.0000805600000000, -0.0001939300000000, 0.0000413600000000 ] - [ -0.0003971000000000, 0.0003322600000000, 0.0007303100000000 ] - [ 0.0001680700000000, -0.0000788800000000, 0.0001509200000000 ] - [ 0.0000223300000000, -0.0000764400000000, -0.0000697800000000 ] - [ -0.0002364100000000, 0.0000576700000000, 0.0000168500000000 ] - [ 0.0001804700000000, 0.0000893500000000, 0.0000722500000000 ] - [ -0.0000891500000000, 0.0003252300000000, -0.0000551000000000 ] - [ -0.0006698100000000, 0.0000676900000000, 0.0002561600000000 ] - [ -0.0001232800000000, -0.0002315100000000, -0.0000345700000000 ] - [ -0.0007663000000000, -0.0002428400000000, -0.0027278900000000 ] - [ 0.0009908600000000, 0.0028471300000000, -0.0036830300000000 ] - [ -0.0186401200000000, 0.0023834200000000, -0.0090817800000000 ] - [ 0.0092057600000000, -0.0115405300000000, 0.0022000400000000 ] - [ -0.0006050100000000, -0.0006560900000000, -0.0000194000000000 ] - [ 0.0001507700000000, 0.0000697400000000, 0.0002428700000000 ] - [ 0.0001969800000000, -0.0000690600000000, -0.0000308300000000 ] - [ 0.0000544800000000, -0.0000061600000000, -0.0000689900000000 ] - [ -0.0081664200000000, 0.0025875200000000, 0.1984815500000000 ] - [ -0.0000743300000000, -0.0001996900000000, -0.0000165300000000 ] - [ 0.0002268800000000, -0.0000445000000000, 0.0000020100000000 ] - [ 0.0000381300000000, -0.0001376500000000, 0.0000352900000000 ] - [ -0.0001281800000000, 0.0002816000000000, 0.0000335000000000 ] - [ 0.0000947700000000, -0.0000411400000000, 0.0000825900000000 ] - [ 0.0004824500000000, 0.0007516500000000, -0.0002217200000000 ] - [ 0.0001552700000000, 0.0000326800000000, -0.0000023400000000 ] - [ -0.0006726900000000, 0.0006284600000000, -0.0001940100000000 ] - [ 0.0000842400000000, -0.0000769800000000, 0.0000280000000000 ] - [ -0.0005735300000000, -0.0000540000000000, 0.0014423100000000 ] - [ -0.0009507000000000, 0.0001114100000000, 0.0005436000000000 ] - [ -0.0000948000000000, -0.0003094200000000, -0.0002312700000000 ] - [ 0.0006572500000000, -0.0002274000000000, -0.0168621100000000 ] - [ 0.0001947900000000, -0.0001106900000000, 0.0000173600000000 ] - [ 0.0003608200000000, -0.0004014600000000, -0.0001836000000000 ] - [ -0.0000599300000000, 0.0000294700000000, -0.0001239000000000 ] - [ 0.0000170900000000, 0.0001306000000000, 0.0000339500000000 ] - [ 0.0001636000000000, -0.0000742900000000, 0.0003163400000000 ] - [ -0.0001200100000000, 0.0002707700000000, 0.0001024700000000 ] - [ -0.0003137300000000, 0.0000014900000000, 0.0000850100000000 ] - [ 0.0003249000000000, 0.0000096200000000, -0.0000784700000000 ] - [ -0.0017491300000000, -0.0008570500000000, -0.0012681000000000 ] - [ 0.0001152200000000, 0.0000278400000000, 0.0000845900000000 ] - [ 0.0003880100000000, 0.0003202600000000, -0.0001835100000000 ] - [ 0.0002509800000000, 0.0004907600000000, -0.0001198600000000 ] - [ -0.0003787500000000, -0.0003860000000000, -0.0000622500000000 ] - [ -0.0004213700000000, -0.0000592300000000, -0.0000194000000000 ] - [ 0.0000825400000000, 0.0000800700000000, -0.0000659700000000 ] - [ 0.0001383100000000, -0.0001176100000000, 0.0002384900000000 ] - [ -0.0002819200000000, -0.0003050100000000, 0.0000413900000000 ] - [ 0.0010840700000000, 0.0004763100000000, -0.0007504300000000 ] - [ 0.0002077400000000, 0.0000069400000000, 0.0003137300000000 ] - [ -0.0004181900000000, 0.0016240000000000, 0.0001842800000000 ] - [ 0.0001352900000000, -0.0004198500000000, 0.0000700700000000 ] - [ 0.0002699100000000, 0.0000256500000000, -0.0000540500000000 ] - [ 0.0089699000000000, 0.0034918000000000, 0.0005770300000000 ] - [ 0.0003283000000000, -0.0000011000000000, 0.0000600400000000 ] - [ -0.0006365800000000, 0.0021334500000000, -0.0017120300000000 ] - [ 0.0002401000000000, -0.0001610100000000, -0.0001243100000000 ] - [ 0.0000382100000000, 0.0001258400000000, 0.0000441900000000 ] - [ 0.0002632000000000, 0.0000907200000000, -0.0001283200000000 ] - [ -0.0008819700000000, -0.0014192300000000, -0.0003908400000000 ] - [ 0.0000917700000000, 0.0003526600000000, 0.0000816200000000 ] - [ 0.0001036900000000, 0.0002638800000000, -0.0000167100000000 ] - [ 0.0002813400000000, -0.0000691100000000, -0.0000833700000000 ] - [ -0.0001005200000000, -0.0002924600000000, -0.0179088700000000 ] - [ 0.0011256900000000, -0.0014897100000000, 0.0008432900000000 ] - [ -0.0000412500000000, -0.0003361700000000, 0.0001356900000000 ] - [ 0.0004490400000000, 0.0008765600000000, 0.0003144300000000 ]- atom: 57 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0028698900000000, 0.0024732800000000, 0.0001345900000000 ] - [ 0.0003329100000000, 0.0002152500000000, 0.0000091100000000 ] - [ 0.0073681500000000, -0.0032256700000000, -0.0020057900000000 ] - [ -0.0018952600000000, 0.0030313200000000, -0.0002055700000000 ] - [ -0.0026103800000000, -0.0012181100000000, -0.0000170800000000 ] - [ -0.0001959900000000, 0.0005116600000000, -0.0000317200000000 ] - [ 0.0001006400000000, 0.0004131700000000, -0.0001309100000000 ] - [ -0.0004761000000000, 0.0003449200000000, -0.0001189200000000 ] - [ -0.0065188900000000, -0.0018825800000000, 0.0033474400000000 ] - [ 0.0006915600000000, -0.0000318200000000, -0.0004399800000000 ] - [ -0.0054559500000000, -0.0033434200000000, -0.0033706900000000 ] - [ -0.0002558800000000, 0.0002761700000000, 0.0001412600000000 ] - [ 0.0008094000000000, -0.0000986400000000, 0.0005093500000000 ] - [ -0.0003195100000000, 0.0002778400000000, -0.0001251800000000 ] - [ 0.0011736600000000, -0.0008890200000000, 0.0003804000000000 ] - [ 0.0013672000000000, -0.0009057100000000, -0.0003685600000000 ] - [ -0.0011745100000000, 0.0019630800000000, 0.0001482000000000 ] - [ -0.0022013600000000, -0.0007818100000000, 0.0002384800000000 ] - [ -0.0013231800000000, -0.0000083500000000, 0.0001061200000000 ] - [ -0.0069215700000000, -0.0012082100000000, -0.0004548700000000 ] - [ 0.0018370400000000, 0.0031839300000000, -0.0015270000000000 ] - [ 0.0002752600000000, 0.0007836300000000, -0.0000550500000000 ] - [ -0.0010277100000000, -0.0033256600000000, -0.0023551000000000 ] - [ 0.0001403400000000, 0.0004222900000000, 0.0000728200000000 ] - [ 0.0002198500000000, 0.0002262800000000, 0.0000058800000000 ] - [ -0.0000111900000000, 0.0004876200000000, 0.0001094800000000 ] - [ -0.0029530300000000, 0.0022956300000000, -0.0002065900000000 ] - [ 0.0000427500000000, 0.0002219300000000, -0.0001655400000000 ] - [ 0.0002963000000000, 0.0006056800000000, 0.0001966400000000 ] - [ -0.0026241700000000, -0.0008894600000000, -0.0001232600000000 ] - [ 0.0006938200000000, 0.0006806500000000, -0.0000545800000000 ] - [ 0.0409317100000000, -0.0059221600000000, 0.0259184500000000 ] - [ 0.0007442500000000, -0.0048698900000000, 0.0039244500000000 ] - [ 0.0338786900000000, -0.0075419500000000, 0.0010867800000000 ] - [ -0.0004946500000000, 0.0001585000000000, -0.0001421500000000 ] - [ -0.0056885600000000, -0.0012498600000000, 0.0008765800000000 ] - [ -0.0006103500000000, 0.0009455600000000, -0.0002184700000000 ] - [ 0.0523820900000000, -0.0336251300000000, 0.0239571000000000 ] - [ -0.0004239100000000, 0.0001713600000000, -0.0001071900000000 ] - [ 0.0042680900000000, 0.0024497700000000, 0.0014318400000000 ] - [ -0.0013718800000000, -0.0005159200000000, -0.0001424600000000 ] - [ -0.0091117500000000, 0.0007404900000000, -0.0010614800000000 ] - [ -0.0002834700000000, -0.0000545900000000, -0.0000698700000000 ] - [ -0.0114664700000000, 0.0018144700000000, 0.0023851200000000 ] - [ -0.0001739900000000, 0.0001975200000000, -0.0000760600000000 ] - [ -0.0005332200000000, 0.0008509100000000, 0.0002335200000000 ] - [ -0.0003610100000000, 0.0002819200000000, 0.0001188300000000 ] - [ 0.0001074600000000, 0.0012633800000000, -0.0001050400000000 ] - [ -0.0004154100000000, -0.0004223700000000, -0.0001532700000000 ] - [ -0.0002252500000000, -0.0006736200000000, 0.0003047000000000 ] - [ 0.0001675600000000, -0.0013679000000000, -0.0000981900000000 ] - [ -0.0021301400000000, -0.0063359400000000, 0.0003166400000000 ] - [ 0.0007778900000000, -0.0003425400000000, -0.0000529900000000 ] - [ -0.0001154100000000, -0.0006641200000000, -0.0000676200000000 ] - [ 0.0001459200000000, -0.0004661600000000, 0.0000176900000000 ] - [ 0.0033622400000000, -0.0026582400000000, -0.0010640000000000 ] - [ -0.1453060700000000, 0.0625809300000000, -0.0762855100000000 ] - [ 0.0188526000000000, -0.0080262400000000, 0.0092905200000000 ] - [ 0.0003163000000000, 0.0002973300000000, -0.0001302300000000 ] - [ 0.0054886800000000, -0.0007702600000000, 0.0007636100000000 ] - [ 0.0003245200000000, -0.0001631700000000, -0.0001050700000000 ] - [ 0.0013842400000000, 0.0003232000000000, 0.0001673100000000 ] - [ -0.0000006100000000, -0.0000667100000000, -0.0000860100000000 ] - [ -0.0000944200000000, 0.0001946900000000, 0.0000616300000000 ] - [ 0.0000230000000000, 0.0000718300000000, 0.0000907700000000 ] - [ -0.0000886800000000, -0.0002996400000000, 0.0003378200000000 ] - [ -0.0002912200000000, -0.0004631100000000, -0.0000998200000000 ] - [ 0.0000125000000000, -0.0002371500000000, 0.0001045500000000 ] - [ 0.0007986700000000, -0.0000807900000000, 0.0000419400000000 ] - [ 0.0012729600000000, -0.0009861800000000, 0.0000282900000000 ] - [ 0.0005840400000000, 0.0017797600000000, -0.0006635700000000 ] - [ 0.0029407600000000, 0.0028071500000000, -0.0012517600000000 ] - [ 0.0063332200000000, 0.0027234400000000, 0.0002833500000000 ] - [ -0.0018677500000000, 0.0014186400000000, 0.0008778100000000 ] - [ 0.0011523200000000, 0.0012670700000000, 0.0001223200000000 ] - [ 0.0005272200000000, -0.0014576500000000, 0.0000309700000000 ] - [ -0.0006500100000000, 0.0000522500000000, -0.0002027700000000 ] - [ -0.0028473700000000, 0.0008306900000000, 0.0003703900000000 ] - [ 0.0153204400000000, -0.0030611700000000, 0.0158128000000000 ] - [ -0.0004793700000000, 0.0001201800000000, 0.0000897400000000 ] - [ -0.0000658400000000, -0.0000981700000000, -0.0000892400000000 ] - [ 0.0030093700000000, -0.0002032500000000, 0.0001425700000000 ] - [ -0.0001682900000000, 0.0131267400000000, 0.0009423900000000 ] - [ 0.0032445300000000, 0.0009662700000000, 0.0009811900000000 ] - [ 0.0012177500000000, -0.0008431600000000, -0.0001143700000000 ] - [ -0.0001443300000000, -0.0003110000000000, 0.0002315900000000 ] - [ -0.0004414400000000, -0.0011112100000000, 0.0004340300000000 ] - [ -0.0003966800000000, -0.0008747300000000, 0.0002470800000000 ] - [ -0.0018782600000000, -0.0008221000000000, 0.0003232100000000 ] - [ 0.0065014400000000, -0.0142085500000000, -0.0040309000000000 ] - [ -0.0003518000000000, -0.0004556900000000, 0.0000144200000000 ] - [ -0.0083890700000000, 0.0041062900000000, 0.0031983300000000 ] - [ -0.0006166200000000, -0.0000550700000000, 0.0000760700000000 ] - [ 0.0019181000000000, 0.0003535800000000, -0.0005806400000000 ] - [ 0.0007597800000000, 0.0033650800000000, 0.0001117900000000 ] - [ -0.0070774200000000, -0.0026911300000000, -0.0021788000000000 ] - [ -0.0003307200000000, -0.0002392800000000, 0.0000985400000000 ] - [ 0.0071961700000000, 0.0022369200000000, -0.0001712200000000 ] - [ 0.0028657900000000, -0.0020619100000000, 0.0009091800000000 ] - [ 0.0053863800000000, 0.0007016600000000, -0.0010902100000000 ] - [ 0.0000042400000000, -0.0001188700000000, 0.0000319700000000 ] - [ -0.0008232300000000, -0.0014322700000000, 0.0000862600000000 ] - [ -0.0001197700000000, -0.0007539000000000, -0.0000218900000000 ] - [ -0.0006205500000000, -0.0002007100000000, -0.0000567300000000 ]- atom: 57 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0028822600000000, -0.0025985500000000, -0.0001512300000000 ] - [ -0.0003331600000000, -0.0003371100000000, -0.0000284600000000 ] - [ -0.0076033300000000, 0.0031181900000000, 0.0019203400000000 ] - [ 0.0020490500000000, -0.0031655100000000, -0.0000469400000000 ] - [ 0.0026140900000000, 0.0013307000000000, -0.0000020400000000 ] - [ 0.0001953800000000, -0.0003764000000000, 0.0000119500000000 ] - [ -0.0002605200000000, -0.0002594800000000, -0.0001206900000000 ] - [ 0.0003179100000000, -0.0004870000000000, -0.0001322600000000 ] - [ 0.0069194100000000, 0.0019558700000000, -0.0034968900000000 ] - [ -0.0011172300000000, -0.0000559400000000, 0.0002769500000000 ] - [ 0.0057457200000000, 0.0034157500000000, 0.0035626900000000 ] - [ -0.0000377000000000, -0.0001793700000000, 0.0000644800000000 ] - [ -0.0011069900000000, 0.0000140700000000, -0.0003078800000000 ] - [ -0.0001023900000000, -0.0001779100000000, -0.0000419800000000 ] - [ -0.0008858800000000, 0.0008006400000000, -0.0001831900000000 ] - [ -0.0009503500000000, 0.0008144400000000, 0.0002092200000000 ] - [ 0.0013881900000000, -0.0025142900000000, -0.0001964000000000 ] - [ 0.0020676900000000, 0.0012319800000000, -0.0001633600000000 ] - [ 0.0015320500000000, 0.0000644400000000, -0.0000011900000000 ] - [ 0.0075139500000000, 0.0009370000000000, 0.0002554500000000 ] - [ -0.0012406900000000, -0.0029294500000000, 0.0013173800000000 ] - [ -0.0000634100000000, -0.0002232000000000, 0.0000055000000000 ] - [ 0.0008008100000000, 0.0033829600000000, 0.0022997100000000 ] - [ -0.0003504500000000, -0.0004657500000000, 0.0000312200000000 ] - [ -0.0000755100000000, 0.0002310200000000, 0.0000671800000000 ] - [ 0.0001537700000000, -0.0009279700000000, -0.0000354500000000 ] - [ 0.0035334000000000, -0.0024108300000000, 0.0000909000000000 ] - [ -0.0004353500000000, -0.0004196300000000, -0.0002131000000000 ] - [ -0.0006883500000000, -0.0008119800000000, 0.0001048900000000 ] - [ 0.0022470400000000, 0.0010965700000000, -0.0002568200000000 ] - [ -0.0001139800000000, -0.0005609700000000, -0.0000567500000000 ] - [ -0.0404229800000000, 0.0058326500000000, -0.0259265100000000 ] - [ -0.0004201000000000, 0.0048104000000000, -0.0040030500000000 ] - [ -0.0333663400000000, 0.0068673300000000, -0.0016677600000000 ] - [ 0.0008866500000000, 0.0000540100000000, -0.0002364400000000 ] - [ 0.0060711500000000, 0.0014611000000000, -0.0005719900000000 ] - [ 0.0000325400000000, -0.0010501300000000, 0.0001059300000000 ] - [ -0.0516550800000000, 0.0312678100000000, -0.0225737800000000 ] - [ -0.0001730700000000, -0.0004187900000000, -0.0000956500000000 ] - [ -0.0038855800000000, -0.0026891700000000, -0.0010917800000000 ] - [ 0.0011668400000000, 0.0005764300000000, 0.0002490800000000 ] - [ 0.0084808300000000, -0.0006473300000000, 0.0009591500000000 ] - [ 0.0005203100000000, 0.0000804500000000, -0.0000099900000000 ] - [ 0.0112345600000000, -0.0012796300000000, -0.0024436700000000 ] - [ -0.0000638800000000, -0.0002079200000000, -0.0000045100000000 ] - [ 0.0003243400000000, -0.0013983700000000, -0.0002794800000000 ] - [ -0.0000271700000000, -0.0000605300000000, 0.0001837200000000 ] - [ -0.0007101900000000, -0.0010034600000000, -0.0000999500000000 ] - [ -0.0000855900000000, 0.0006462700000000, -0.0000961700000000 ] - [ -0.0000613400000000, 0.0008696900000000, 0.0001738400000000 ] - [ -0.0007677100000000, 0.0015111600000000, -0.0000662000000000 ] - [ 0.0024141100000000, 0.0064663000000000, 0.0001673100000000 ] - [ -0.0002681100000000, 0.0002402900000000, -0.0000463900000000 ] - [ -0.0000016200000000, 0.0008269900000000, 0.0000177300000000 ] - [ -0.0002134200000000, 0.0002108000000000, 0.0000547600000000 ] - [ -0.0034719000000000, 0.0025029600000000, 0.0010124300000000 ] - [ 0.1448474400000000, -0.0598930700000000, 0.0749886300000000 ] - [ -0.0184948500000000, 0.0076357600000000, -0.0090567000000000 ] - [ -0.0007362100000000, -0.0002497500000000, 0.0001306200000000 ] - [ -0.0052815700000000, 0.0007206500000000, -0.0005890000000000 ] - [ -0.0002066300000000, 0.0000856700000000, -0.0000958800000000 ] - [ -0.0009679700000000, -0.0002738300000000, -0.0001678700000000 ] - [ -0.0001151100000000, 0.0001325700000000, -0.0001163300000000 ] - [ 0.0001301900000000, -0.0004552100000000, 0.0000084200000000 ] - [ -0.0002318200000000, 0.0006363000000000, 0.0000744600000000 ] - [ -0.0002807400000000, 0.0002153700000000, 0.0002948400000000 ] - [ -0.0003082200000000, 0.0003142800000000, -0.0000651100000000 ] - [ -0.0002157700000000, 0.0001778200000000, 0.0000643200000000 ] - [ -0.0002255900000000, 0.0000565900000000, 0.0000840300000000 ] - [ -0.0005253400000000, 0.0002533200000000, -0.0004012300000000 ] - [ -0.0007237900000000, -0.0018563000000000, 0.0004578000000000 ] - [ -0.0028979700000000, -0.0025074300000000, 0.0013074100000000 ] - [ -0.0059610400000000, -0.0027911300000000, 0.0003557200000000 ] - [ 0.0018362400000000, -0.0016904800000000, -0.0008096700000000 ] - [ -0.0017409600000000, -0.0013004600000000, 0.0000024200000000 ] - [ 0.0000753700000000, 0.0015890600000000, -0.0001953100000000 ] - [ -0.0001007300000000, 0.0006708000000000, -0.0001706900000000 ] - [ 0.0030540900000000, -0.0007715000000000, -0.0002088900000000 ] - [ -0.0147101500000000, 0.0038310700000000, -0.0164038700000000 ] - [ 0.0004096300000000, 0.0001237500000000, -0.0000171300000000 ] - [ -0.0004359200000000, -0.0001410800000000, -0.0001614500000000 ] - [ -0.0035262300000000, 0.0001109700000000, -0.0002414100000000 ] - [ 0.0002243400000000, -0.0130503300000000, -0.0011771400000000 ] - [ -0.0029585400000000, -0.0011639700000000, -0.0005024400000000 ] - [ -0.0019710900000000, 0.0001125800000000, -0.0002588800000000 ] - [ -0.0001450400000000, 0.0001012500000000, 0.0002474000000000 ] - [ 0.0008094900000000, 0.0011955500000000, 0.0001988600000000 ] - [ 0.0000259700000000, 0.0009504500000000, 0.0003848800000000 ] - [ 0.0020877900000000, 0.0001036300000000, -0.0001561500000000 ] - [ -0.0059884400000000, 0.0144247500000000, 0.0039713600000000 ] - [ -0.0000666700000000, 0.0003949400000000, -0.0000139800000000 ] - [ 0.0089274700000000, -0.0040906200000000, -0.0029844100000000 ] - [ 0.0004198200000000, 0.0001022600000000, 0.0000928800000000 ] - [ -0.0014174400000000, -0.0005870700000000, 0.0003315500000000 ] - [ -0.0006961100000000, -0.0031399100000000, -0.0000429900000000 ] - [ 0.0075226500000000, 0.0029499800000000, 0.0019766900000000 ] - [ -0.0002410700000000, 0.0002528800000000, 0.0000281700000000 ] - [ -0.0069737800000000, -0.0015045700000000, 0.0003327500000000 ] - [ -0.0027452000000000, 0.0022319000000000, -0.0009589700000000 ] - [ -0.0047666300000000, -0.0008210800000000, 0.0009212000000000 ] - [ -0.0000419300000000, 0.0003683500000000, 0.0000385000000000 ] - [ 0.0006185900000000, 0.0007121000000000, 0.0000791500000000 ] - [ 0.0002327600000000, 0.0005776300000000, -0.0000277400000000 ] - [ 0.0001084800000000, 0.0002939600000000, -0.0000426700000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0021623300000000, -0.0019900500000000, 0.0005001100000000 ] - [ -0.0004366500000000, -0.0032006500000000, -0.0001239200000000 ] - [ -0.0030128100000000, 0.0087701900000000, -0.0002943600000000 ] - [ 0.0042114900000000, -0.0000620200000000, 0.0002846200000000 ] - [ -0.0008800000000000, 0.0026414300000000, -0.0000999200000000 ] - [ 0.0003156400000000, -0.0021947600000000, 0.0000682300000000 ] - [ 0.0000124100000000, -0.0027123800000000, -0.0001681300000000 ] - [ -0.0002104800000000, -0.0021739000000000, -0.0000694300000000 ] - [ 0.0021240700000000, 0.0061693100000000, -0.0035380700000000 ] - [ 0.0002804500000000, -0.0025941300000000, -0.0007702800000000 ] - [ 0.0019318600000000, 0.0065611100000000, 0.0035592200000000 ] - [ -0.0002939600000000, -0.0016578000000000, -0.0000719500000000 ] - [ 0.0004575900000000, -0.0028200900000000, 0.0008402900000000 ] - [ -0.0003585900000000, -0.0016623700000000, 0.0001117100000000 ] - [ -0.0025805900000000, -0.0015531600000000, -0.0002493300000000 ] - [ -0.0026455400000000, -0.0018039100000000, 0.0002808700000000 ] - [ 0.0001561900000000, -0.0021396100000000, -0.0000884400000000 ] - [ -0.0023674900000000, 0.0025716000000000, -0.0003990500000000 ] - [ 0.0018263400000000, 0.0004975400000000, -0.0001517400000000 ] - [ 0.0019549300000000, 0.0044981100000000, -0.0005116600000000 ] - [ -0.0022653000000000, -0.0107399100000000, 0.0052608500000000 ] - [ 0.0000927500000000, -0.0029675900000000, 0.0000347300000000 ] - [ -0.0036053800000000, -0.0080375700000000, -0.0069672900000000 ] - [ -0.0005139100000000, -0.0029558400000000, 0.0000415400000000 ] - [ -0.0004568200000000, -0.0031335700000000, 0.0002907400000000 ] - [ -0.0000033100000000, -0.0033839100000000, -0.0000148300000000 ] - [ 0.0005736000000000, -0.0002939000000000, 0.0010812400000000 ] - [ -0.0006282600000000, -0.0029491100000000, -0.0002089200000000 ] - [ 0.0003640800000000, -0.0029767600000000, 0.0003391100000000 ] - [ -0.0030195100000000, -0.0014330100000000, 0.0004176200000000 ] - [ -0.0003785100000000, -0.0032723600000000, -0.0001836800000000 ] - [ -0.0062824800000000, 0.0535832500000000, -0.0045504000000000 ] - [ -0.0128734200000000, 0.0044907100000000, 0.0062535000000000 ] - [ 0.0006552200000000, 0.1074182600000000, 0.0328005300000000 ] - [ 0.0009726400000000, -0.0007936200000000, -0.0004069300000000 ] - [ 0.0016478100000000, 0.0028945600000000, -0.0004260600000000 ] - [ 0.0009557100000000, -0.0041588600000000, 0.0007159000000000 ] - [ -0.0270345100000000, 0.0765302000000000, -0.0254122500000000 ] - [ 0.0000166800000000, -0.0031242100000000, -0.0002041500000000 ] - [ -0.0038775300000000, -0.0090666500000000, -0.0073048400000000 ] - [ -0.0008390200000000, -0.0031856800000000, -0.0004972800000000 ] - [ 0.0134714700000000, 0.0053147400000000, 0.0000229300000000 ] - [ -0.0008795200000000, -0.0026051300000000, -0.0002899300000000 ] - [ 0.0015083700000000, 0.0054263000000000, 0.0004763900000000 ] - [ -0.0003345700000000, -0.0025130700000000, -0.0000091300000000 ] - [ 0.0036125300000000, -0.0044158200000000, -0.0011199600000000 ] - [ -0.0001375200000000, -0.0029015600000000, 0.0000554700000000 ] - [ 0.0009173300000000, -0.0024479400000000, 0.0001678300000000 ] - [ -0.0001418800000000, 0.0029079100000000, -0.0002927500000000 ] - [ -0.0005690600000000, 0.0027745200000000, 0.0003110300000000 ] - [ -0.0004899900000000, 0.0011693100000000, -0.0000851600000000 ] - [ -0.0070827700000000, 0.0249790100000000, -0.0037667900000000 ] - [ -0.0008891400000000, 0.0012135000000000, -0.0000586200000000 ] - [ -0.0001688700000000, 0.0032535500000000, 0.0000332300000000 ] - [ -0.0003738200000000, 0.0017313900000000, 0.0000558500000000 ] - [ -0.0020915100000000, -0.0032990700000000, 0.0016024200000000 ] - [ 0.0602324600000000, -0.2764981300000000, -0.0004397300000000 ] - [ -0.0105638300000000, -0.0070478000000000, -0.0034930500000000 ] - [ 0.0000662900000000, 0.0023290000000000, -0.0000001700000000 ] - [ -0.0010282200000000, -0.0031721900000000, 0.0001486300000000 ] - [ -0.0000714400000000, 0.0015903300000000, -0.0005003700000000 ] - [ -0.0000884800000000, -0.0001113600000000, -0.0000364300000000 ] - [ -0.0001630200000000, 0.0021237000000000, 0.0003371000000000 ] - [ 0.0020597500000000, 0.0025489400000000, 0.0000473800000000 ] - [ -0.0001558400000000, 0.0023575200000000, 0.0000757900000000 ] - [ -0.0009965400000000, 0.0023658900000000, 0.0002450400000000 ] - [ -0.0008628700000000, 0.0026206700000000, 0.0000255500000000 ] - [ 0.0004631700000000, 0.0019151500000000, 0.0000840500000000 ] - [ 0.0000125200000000, 0.0008053800000000, 0.0002111500000000 ] - [ -0.0021959300000000, 0.0001799800000000, -0.0000524200000000 ] - [ 0.0035133700000000, 0.0009517800000000, 0.0005479700000000 ] - [ 0.0049004800000000, -0.0075014000000000, -0.0009177500000000 ] - [ -0.0017740300000000, -0.0042191100000000, -0.0001418400000000 ] - [ -0.0011120000000000, 0.0046000700000000, 0.0014949900000000 ] - [ 0.0033860500000000, 0.0036714100000000, 0.0005182900000000 ] - [ -0.0026942800000000, 0.0067182600000000, -0.0004278900000000 ] - [ 0.0001926400000000, 0.0024720000000000, -0.0000561400000000 ] - [ 0.0047042300000000, 0.0024860000000000, 0.0013030500000000 ] - [ -0.0011421600000000, -0.0110230300000000, -0.0042487000000000 ] - [ 0.0005420100000000, 0.0025483700000000, 0.0000401700000000 ] - [ -0.0002294200000000, 0.0028116600000000, 0.0000520200000000 ] - [ 0.0003137700000000, -0.0002852900000000, -0.0003988900000000 ] - [ 0.0128986500000000, 0.0239549900000000, 0.0023495700000000 ] - [ 0.0005835500000000, -0.0034247200000000, 0.0003300300000000 ] - [ -0.0000211800000000, 0.0009156700000000, -0.0001727600000000 ] - [ 0.0000335400000000, 0.0028435800000000, 0.0001462100000000 ] - [ -0.0014484800000000, 0.0039787300000000, 0.0005480500000000 ] - [ -0.0000056300000000, 0.0017246000000000, 0.0004215100000000 ] - [ 0.0029893100000000, 0.0033533400000000, -0.0004007300000000 ] - [ -0.0174566900000000, 0.0103211300000000, 0.0049968400000000 ] - [ 0.0002158400000000, 0.0025529000000000, -0.0000529700000000 ] - [ 0.0002338500000000, -0.0028303800000000, -0.0044243700000000 ] - [ -0.0011822100000000, 0.0026093900000000, 0.0000724800000000 ] - [ 0.0000520700000000, -0.0018361500000000, -0.0005240000000000 ] - [ 0.0028114200000000, -0.0002317300000000, 0.0002944200000000 ] - [ -0.0019417700000000, -0.0003089300000000, 0.0056612200000000 ] - [ -0.0003598000000000, 0.0020912600000000, -0.0001687000000000 ] - [ -0.0022171500000000, -0.0039260300000000, 0.0002814500000000 ] - [ -0.0025410800000000, 0.0007060600000000, -0.0008388500000000 ] - [ -0.0032542400000000, -0.0056856000000000, -0.0001078400000000 ] - [ 0.0007105800000000, 0.0024092000000000, 0.0000597000000000 ] - [ -0.0008936200000000, 0.0020572600000000, 0.0000072400000000 ] - [ 0.0005591200000000, 0.0034096800000000, -0.0000984200000000 ] - [ 0.0004265100000000, 0.0019014500000000, -0.0000686000000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0021339500000000, 0.0018476100000000, -0.0005004600000000 ] - [ 0.0004383700000000, 0.0030689400000000, 0.0001039200000000 ] - [ 0.0030983100000000, -0.0086740200000000, 0.0000783200000000 ] - [ -0.0040661000000000, -0.0001052000000000, -0.0005406800000000 ] - [ 0.0008694700000000, -0.0024906900000000, 0.0000788400000000 ] - [ -0.0003176800000000, 0.0023192000000000, -0.0000879000000000 ] - [ -0.0001702100000000, 0.0028545200000000, -0.0000839800000000 ] - [ 0.0000502200000000, 0.0020257300000000, -0.0001815500000000 ] - [ -0.0016835900000000, -0.0060512100000000, 0.0033443100000000 ] - [ -0.0006985700000000, 0.0024920700000000, 0.0006006700000000 ] - [ -0.0016235100000000, -0.0064326300000000, -0.0033250500000000 ] - [ -0.0000003900000000, 0.0017466500000000, 0.0002770100000000 ] - [ -0.0007456600000000, 0.0027191100000000, -0.0006314900000000 ] - [ -0.0000639800000000, 0.0017544000000000, -0.0002780600000000 ] - [ 0.0028821400000000, 0.0014552800000000, 0.0004560400000000 ] - [ 0.0030767600000000, 0.0017062300000000, -0.0004498100000000 ] - [ 0.0000526300000000, 0.0015925200000000, 0.0000386600000000 ] - [ 0.0022244500000000, -0.0021366200000000, 0.0004726800000000 ] - [ -0.0016212600000000, -0.0004593200000000, 0.0002558400000000 ] - [ -0.0013534800000000, -0.0047578400000000, 0.0002997700000000 ] - [ 0.0028690800000000, 0.0109969600000000, -0.0054825500000000 ] - [ 0.0001186500000000, 0.0035159300000000, -0.0000848700000000 ] - [ 0.0033661400000000, 0.0080271000000000, 0.0068439500000000 ] - [ 0.0003048400000000, 0.0029005200000000, 0.0000628800000000 ] - [ 0.0005984600000000, 0.0035751800000000, -0.0002152700000000 ] - [ 0.0001473100000000, 0.0029323900000000, 0.0000889700000000 ] - [ -0.0000009300000000, 0.0001975500000000, -0.0011848400000000 ] - [ 0.0002374100000000, 0.0027391100000000, -0.0001692500000000 ] - [ -0.0007487000000000, 0.0027616300000000, -0.0000361400000000 ] - [ 0.0026040200000000, 0.0016407000000000, -0.0007888300000000 ] - [ 0.0009577600000000, 0.0033811100000000, 0.0000726300000000 ] - [ 0.0066458400000000, -0.0535217900000000, 0.0053974800000000 ] - [ 0.0130712100000000, -0.0044323700000000, -0.0062815000000000 ] - [ -0.0006743400000000, -0.1010925700000000, -0.0298132700000000 ] - [ -0.0005822600000000, 0.0009892200000000, 0.0000288600000000 ] - [ -0.0012508900000000, -0.0026995300000000, 0.0007299100000000 ] - [ -0.0015393600000000, 0.0040437100000000, -0.0008299400000000 ] - [ 0.0293693900000000, -0.0792003800000000, 0.0277165800000000 ] - [ -0.0006157200000000, 0.0028632200000000, 0.0000006800000000 ] - [ 0.0042673200000000, 0.0088328300000000, 0.0076590600000000 ] - [ 0.0006210900000000, 0.0032282200000000, 0.0005967900000000 ] - [ -0.0140204000000000, -0.0051513700000000, -0.0001365200000000 ] - [ 0.0011176700000000, 0.0026163600000000, 0.0002096700000000 ] - [ -0.0018025800000000, -0.0048267700000000, -0.0004917700000000 ] - [ 0.0000989200000000, 0.0024896100000000, -0.0000706100000000 ] - [ -0.0038341100000000, 0.0038626800000000, 0.0010770500000000 ] - [ -0.0002524500000000, 0.0031085000000000, 0.0002462500000000 ] - [ -0.0015075900000000, 0.0027030300000000, -0.0003706100000000 ] - [ -0.0003601200000000, -0.0026734700000000, 0.0000422100000000 ] - [ 0.0002792000000000, -0.0025699800000000, 0.0001679000000000 ] - [ -0.0001133100000000, -0.0010342700000000, -0.0000788700000000 ] - [ 0.0075310000000000, -0.0251381700000000, 0.0042775400000000 ] - [ 0.0014071200000000, -0.0013082600000000, -0.0000402800000000 ] - [ 0.0000562300000000, -0.0030811300000000, -0.0000833900000000 ] - [ 0.0003042000000000, -0.0019794700000000, 0.0000171600000000 ] - [ 0.0019775600000000, 0.0030867200000000, -0.0016439500000000 ] - [ -0.0622667100000000, 0.2718138100000000, -0.0063135500000000 ] - [ 0.0105556700000000, 0.0068548400000000, 0.0035321100000000 ] - [ -0.0004799900000000, -0.0022724100000000, -0.0000006400000000 ] - [ 0.0012181400000000, 0.0031185400000000, 0.0000131500000000 ] - [ 0.0001870400000000, -0.0016561500000000, 0.0002984000000000 ] - [ 0.0005077100000000, 0.0001746500000000, 0.0000375100000000 ] - [ 0.0000440600000000, -0.0020476900000000, -0.0005376600000000 ] - [ -0.0020254100000000, -0.0028006500000000, 0.0000232700000000 ] - [ -0.0000497000000000, -0.0016384100000000, 0.0000900100000000 ] - [ 0.0006250200000000, -0.0024411000000000, 0.0003877000000000 ] - [ 0.0002619200000000, -0.0027596500000000, -0.0001903200000000 ] - [ -0.0006608000000000, -0.0019666000000000, 0.0000847000000000 ] - [ 0.0005600400000000, -0.0008172600000000, -0.0000846700000000 ] - [ 0.0029542800000000, -0.0009002000000000, -0.0003228800000000 ] - [ -0.0036135500000000, -0.0010274000000000, -0.0007439000000000 ] - [ -0.0048594500000000, 0.0077139300000000, 0.0009889700000000 ] - [ 0.0021579600000000, 0.0041494000000000, 0.0007759000000000 ] - [ 0.0010665000000000, -0.0048372800000000, -0.0014124900000000 ] - [ -0.0039250200000000, -0.0036655200000000, -0.0003905300000000 ] - [ 0.0033073900000000, -0.0065973400000000, 0.0002623600000000 ] - [ -0.0009429800000000, -0.0017416600000000, -0.0003169900000000 ] - [ -0.0045131900000000, -0.0024292600000000, -0.0011454500000000 ] - [ 0.0020279200000000, 0.0116529900000000, 0.0039855800000000 ] - [ -0.0006106200000000, -0.0022919900000000, 0.0000328400000000 ] - [ -0.0002700500000000, -0.0030361200000000, -0.0003010800000000 ] - [ -0.0008138400000000, 0.0001772500000000, 0.0002965000000000 ] - [ -0.0125575600000000, -0.0234744300000000, -0.0025468900000000 ] - [ -0.0002995800000000, 0.0032311800000000, 0.0001455700000000 ] - [ -0.0007202400000000, -0.0016442700000000, -0.0001993800000000 ] - [ -0.0003204100000000, -0.0030409100000000, 0.0003318100000000 ] - [ 0.0018184500000000, -0.0038945900000000, 0.0000856700000000 ] - [ -0.0003672500000000, -0.0016466400000000, 0.0002111400000000 ] - [ -0.0027966600000000, -0.0040737100000000, 0.0005702900000000 ] - [ 0.0177690300000000, -0.0100494400000000, -0.0049895600000000 ] - [ -0.0006341600000000, -0.0026031200000000, 0.0000528300000000 ] - [ 0.0003741600000000, 0.0028446600000000, 0.0045578000000000 ] - [ 0.0009778500000000, -0.0025482700000000, 0.0000960200000000 ] - [ 0.0004489300000000, 0.0016184900000000, 0.0002751600000000 ] - [ -0.0027485600000000, 0.0004989800000000, -0.0002203800000000 ] - [ 0.0024974100000000, 0.0005662300000000, -0.0058657600000000 ] - [ -0.0002147700000000, -0.0020690200000000, 0.0002942000000000 ] - [ 0.0024129100000000, 0.0046225900000000, -0.0001130400000000 ] - [ 0.0026463000000000, -0.0005453300000000, 0.0007835900000000 ] - [ 0.0038577900000000, 0.0055187500000000, -0.0000649000000000 ] - [ -0.0007456000000000, -0.0021486100000000, 0.0000108700000000 ] - [ 0.0006805300000000, -0.0027703000000000, 0.0001579700000000 ] - [ -0.0004434000000000, -0.0035777200000000, 0.0000489300000000 ] - [ -0.0009391200000000, -0.0018007500000000, -0.0000310200000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0007727500000000, 0.0009350400000000, 0.0000505700000000 ] - [ 0.0000153100000000, -0.0000683100000000, -0.0000078600000000 ] - [ -0.0007093100000000, -0.0010246400000000, 0.0026051400000000 ] - [ -0.0001135700000000, 0.0007449100000000, -0.0001512900000000 ] - [ -0.0004174200000000, 0.0000655200000000, -0.0000297700000000 ] - [ -0.0000109100000000, 0.0001401400000000, -0.0000125800000000 ] - [ -0.0000624200000000, 0.0000892700000000, -0.0001269100000000 ] - [ -0.0001240800000000, 0.0000229900000000, -0.0001169300000000 ] - [ -0.0008557200000000, -0.0016284000000000, 0.0024175200000000 ] - [ -0.0001443300000000, -0.0001345600000000, -0.0001187600000000 ] - [ -0.0012874700000000, -0.0017274400000000, -0.0023763100000000 ] - [ -0.0001552600000000, 0.0000818200000000, 0.0001081600000000 ] - [ -0.0000950800000000, -0.0001534200000000, 0.0001402400000000 ] - [ -0.0002201300000000, 0.0000827700000000, -0.0000880000000000 ] - [ -0.0001312400000000, -0.0001306300000000, -0.0001163300000000 ] - [ -0.0000406600000000, -0.0002545700000000, 0.0001259400000000 ] - [ 0.0000192100000000, -0.0000805800000000, -0.0001710400000000 ] - [ 0.0000185400000000, -0.0001785400000000, -0.0000031600000000 ] - [ -0.0001389200000000, -0.0000128500000000, 0.0001487700000000 ] - [ -0.0013783300000000, -0.0005456000000000, -0.0008803100000000 ] - [ 0.0004113900000000, 0.0001140100000000, 0.0004189900000000 ] - [ 0.0001169700000000, 0.0003190100000000, -0.0000176300000000 ] - [ -0.0004609100000000, -0.0005677700000000, 0.0001080200000000 ] - [ -0.0000856100000000, 0.0000202600000000, 0.0000520200000000 ] - [ 0.0000229600000000, 0.0002358900000000, 0.0000328700000000 ] - [ 0.0000643300000000, -0.0001397200000000, 0.0000522700000000 ] - [ -0.0002742900000000, 0.0009140100000000, 0.0006794200000000 ] - [ -0.0001940900000000, -0.0000641900000000, -0.0001876400000000 ] - [ -0.0000881800000000, -0.0000431800000000, 0.0001475400000000 ] - [ -0.0007880300000000, 0.0000527900000000, -0.0003662800000000 ] - [ 0.0003310000000000, 0.0001144900000000, -0.0000714100000000 ] - [ 0.0253604600000000, -0.0028191100000000, 0.1014952500000000 ] - [ -0.0028520800000000, 0.0022451600000000, -0.0013607300000000 ] - [ 0.0015083800000000, 0.0257385200000000, 0.0386251800000000 ] - [ 0.0001480600000000, 0.0001995500000000, -0.0002013400000000 ] - [ -0.0012689100000000, -0.0007474300000000, 0.0008172600000000 ] - [ -0.0002347800000000, 0.0000167600000000, -0.0000040000000000 ] - [ 0.0290620000000000, -0.0233915400000000, 0.0448650400000000 ] - [ -0.0003046800000000, -0.0000931200000000, -0.0001050600000000 ] - [ 0.0017120500000000, 0.0012076600000000, 0.0005710500000000 ] - [ -0.0002601800000000, 0.0000366600000000, 0.0000899100000000 ] - [ 0.0013646200000000, 0.0016615400000000, -0.0013086000000000 ] - [ 0.0000589400000000, 0.0000229000000000, -0.0000454000000000 ] - [ -0.0073783300000000, 0.0021320500000000, 0.0031589000000000 ] - [ -0.0001324800000000, 0.0000406300000000, -0.0000500200000000 ] - [ 0.0000234800000000, -0.0001474400000000, -0.0001173000000000 ] - [ -0.0002136400000000, 0.0001393800000000, 0.0001597200000000 ] - [ -0.0000222400000000, 0.0002424800000000, -0.0000290200000000 ] - [ -0.0002766400000000, 0.0000603500000000, -0.0001326300000000 ] - [ -0.0002006800000000, -0.0000130700000000, 0.0002432600000000 ] - [ -0.0003975500000000, -0.0003898200000000, -0.0000956100000000 ] - [ -0.0012474900000000, 0.0024944200000000, 0.0009287100000000 ] - [ 0.0002413600000000, -0.0001134900000000, -0.0000583300000000 ] - [ -0.0000895400000000, -0.0000057500000000, -0.0000261300000000 ] - [ -0.0000207000000000, -0.0001727700000000, 0.0000340700000000 ] - [ 0.0013944800000000, -0.0021626900000000, -0.0000703300000000 ] - [ -0.0746154000000000, 0.0029062700000000, -0.2788205000000000 ] - [ 0.0078287700000000, -0.0046530800000000, -0.0005642400000000 ] - [ -0.0000780500000000, 0.0000286800000000, 0.0000059700000000 ] - [ 0.0012364100000000, 0.0002926600000000, -0.0000656500000000 ] - [ 0.0000928900000000, -0.0000807300000000, -0.0001081900000000 ] - [ 0.0003753200000000, 0.0000647400000000, -0.0000331200000000 ] - [ -0.0000393600000000, 0.0000075700000000, -0.0000994800000000 ] - [ 0.0001185100000000, -0.0000952500000000, 0.0000182600000000 ] - [ -0.0000939600000000, 0.0003146800000000, 0.0000842600000000 ] - [ -0.0001731800000000, -0.0000667400000000, 0.0003190500000000 ] - [ -0.0002995500000000, -0.0001115900000000, -0.0000832200000000 ] - [ -0.0000908800000000, -0.0000626700000000, 0.0000844800000000 ] - [ 0.0003413300000000, -0.0000208800000000, 0.0000692700000000 ] - [ 0.0004253600000000, -0.0005166200000000, -0.0000993900000000 ] - [ 0.0005907500000000, 0.0003141000000000, -0.0000092200000000 ] - [ -0.0009242400000000, 0.0000745900000000, 0.0007283100000000 ] - [ 0.0029568900000000, 0.0015446400000000, 0.0005517600000000 ] - [ -0.0000005200000000, 0.0000415100000000, 0.0001043200000000 ] - [ -0.0001801900000000, -0.0000807000000000, -0.0000203000000000 ] - [ 0.0000617800000000, 0.0002670600000000, -0.0001209200000000 ] - [ -0.0003939800000000, 0.0003419700000000, -0.0001883700000000 ] - [ -0.0004393700000000, 0.0002552000000000, 0.0003362900000000 ] - [ 0.0148652800000000, -0.0034718900000000, 0.0129582100000000 ] - [ -0.0000272100000000, 0.0001551900000000, 0.0000383900000000 ] - [ -0.0002115600000000, -0.0001544000000000, -0.0001209500000000 ] - [ 0.0003424400000000, -0.0003395000000000, -0.0001349600000000 ] - [ -0.0009008700000000, -0.0001280600000000, 0.0002486300000000 ] - [ 0.0004618600000000, 0.0003171000000000, 0.0002097500000000 ] - [ -0.0002592800000000, -0.0004189900000000, -0.0001689900000000 ] - [ -0.0001341300000000, -0.0001269900000000, 0.0002341900000000 ] - [ -0.0000145300000000, -0.0002272300000000, 0.0002948900000000 ] - [ -0.0002763900000000, -0.0000741700000000, 0.0003168100000000 ] - [ 0.0001582300000000, -0.0003043700000000, 0.0000130700000000 ] - [ -0.0015359600000000, 0.0020587000000000, -0.0025006600000000 ] - [ -0.0002228600000000, -0.0000799300000000, 0.0000010600000000 ] - [ 0.0066845400000000, 0.0075368600000000, 0.0358343800000000 ] - [ -0.0001638200000000, 0.0000543200000000, 0.0000863400000000 ] - [ 0.0005643100000000, 0.0001936200000000, -0.0001367100000000 ] - [ 0.0000637200000000, -0.0003416300000000, 0.0000059900000000 ] - [ 0.0017658100000000, -0.0091553300000000, 0.0418948200000000 ] - [ -0.0002782600000000, -0.0000229600000000, 0.0000673500000000 ] - [ 0.0020187100000000, 0.0012836400000000, 0.0002878000000000 ] - [ -0.0004188500000000, -0.0002495500000000, -0.0000959100000000 ] - [ 0.0013104200000000, -0.0002726100000000, -0.0010513600000000 ] - [ -0.0000201700000000, 0.0000859700000000, 0.0000368900000000 ] - [ -0.0001937500000000, -0.0003625300000000, 0.0000431900000000 ] - [ 0.0000375100000000, -0.0001104600000000, -0.0000312600000000 ] - [ -0.0002848800000000, 0.0000294200000000, -0.0000494200000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0007508100000000, -0.0011136000000000, -0.0000706600000000 ] - [ -0.0000160300000000, -0.0000604900000000, -0.0000120000000000 ] - [ 0.0008749400000000, 0.0011767300000000, -0.0028689000000000 ] - [ 0.0002765200000000, -0.0009055900000000, -0.0000996700000000 ] - [ 0.0004191700000000, 0.0000641500000000, 0.0000112000000000 ] - [ 0.0000105300000000, -0.0000123700000000, -0.0000073300000000 ] - [ -0.0000967000000000, 0.0000567600000000, -0.0001251100000000 ] - [ -0.0000346900000000, -0.0001704500000000, -0.0001345400000000 ] - [ 0.0012967700000000, 0.0017441600000000, -0.0026175000000000 ] - [ -0.0002783400000000, 0.0000394800000000, -0.0000462300000000 ] - [ 0.0015874700000000, 0.0018584700000000, 0.0026157200000000 ] - [ -0.0001382400000000, 0.0000094300000000, 0.0000969200000000 ] - [ -0.0001994400000000, 0.0000631900000000, 0.0000627700000000 ] - [ -0.0002016500000000, 0.0000116500000000, -0.0000783600000000 ] - [ 0.0004316600000000, 0.0000457200000000, 0.0003320500000000 ] - [ 0.0004674000000000, 0.0001650600000000, -0.0003027500000000 ] - [ 0.0001921900000000, -0.0004712700000000, 0.0001242000000000 ] - [ -0.0001616600000000, 0.0006278500000000, 0.0000768200000000 ] - [ 0.0003518900000000, 0.0000618600000000, -0.0000453000000000 ] - [ 0.0019913800000000, 0.0002915500000000, 0.0006828000000000 ] - [ 0.0001771400000000, 0.0001279800000000, -0.0005881400000000 ] - [ 0.0000948800000000, 0.0002322600000000, -0.0000313800000000 ] - [ 0.0002317000000000, 0.0005866600000000, -0.0001391900000000 ] - [ -0.0001261300000000, -0.0000719400000000, 0.0000523400000000 ] - [ 0.0001217500000000, 0.0002113200000000, 0.0000401300000000 ] - [ 0.0000796300000000, -0.0003091100000000, 0.0000216700000000 ] - [ 0.0008573800000000, -0.0010326000000000, -0.0007999700000000 ] - [ -0.0001997400000000, -0.0001419500000000, -0.0001908700000000 ] - [ -0.0003010500000000, -0.0001691100000000, 0.0001553900000000 ] - [ 0.0003920500000000, 0.0001483100000000, -0.0000216500000000 ] - [ 0.0002484300000000, -0.0000030500000000, -0.0000412600000000 ] - [ -0.0275530400000000, 0.0032434300000000, -0.1102766600000000 ] - [ 0.0029987800000000, -0.0023236800000000, 0.0012178400000000 ] - [ -0.0012076200000000, -0.0248906600000000, -0.0390627600000000 ] - [ 0.0002473700000000, 0.0000048100000000, -0.0001769800000000 ] - [ 0.0016743000000000, 0.0009612300000000, -0.0005202400000000 ] - [ -0.0003449600000000, -0.0001320100000000, -0.0001039600000000 ] - [ -0.0281818300000000, 0.0216266700000000, -0.0443699100000000 ] - [ -0.0002928500000000, -0.0001640000000000, -0.0000985800000000 ] - [ -0.0013489200000000, -0.0013387000000000, -0.0003065400000000 ] - [ 0.0000494700000000, 0.0000163700000000, 0.0000178300000000 ] - [ -0.0019841000000000, -0.0015774600000000, 0.0012065200000000 ] - [ 0.0001801000000000, -0.0000049800000000, -0.0000344300000000 ] - [ 0.0072143200000000, -0.0015863000000000, -0.0032216700000000 ] - [ -0.0001034000000000, -0.0000585200000000, -0.0000298000000000 ] - [ -0.0002426200000000, -0.0004029900000000, 0.0000589100000000 ] - [ -0.0001747800000000, 0.0000724100000000, 0.0001432200000000 ] - [ -0.0005744400000000, 0.0000125200000000, -0.0001757400000000 ] - [ -0.0002244000000000, 0.0001707500000000, -0.0001171400000000 ] - [ -0.0000872500000000, 0.0002164100000000, 0.0002352700000000 ] - [ -0.0002018400000000, 0.0005355900000000, -0.0000696800000000 ] - [ 0.0015343000000000, -0.0022262100000000, -0.0004479500000000 ] - [ 0.0002680700000000, 0.0000166000000000, -0.0000416600000000 ] - [ -0.0000240800000000, 0.0001725600000000, -0.0000236500000000 ] - [ -0.0000480600000000, -0.0000771300000000, 0.0000387900000000 ] - [ -0.0015256800000000, 0.0020170000000000, 0.0000150700000000 ] - [ 0.0767117400000000, -0.0030263300000000, 0.2877540000000000 ] - [ -0.0078276200000000, 0.0044214800000000, 0.0005211200000000 ] - [ -0.0003394100000000, 0.0000287900000000, -0.0000056700000000 ] - [ -0.0010523900000000, -0.0003518500000000, 0.0002253000000000 ] - [ 0.0000227500000000, 0.0000098800000000, -0.0000927800000000 ] - [ 0.0000408000000000, -0.0000096800000000, 0.0000341800000000 ] - [ -0.0000781800000000, 0.0000637400000000, -0.0001024000000000 ] - [ -0.0000873000000000, -0.0001671300000000, 0.0000521700000000 ] - [ -0.0001137300000000, 0.0004005000000000, 0.0000812900000000 ] - [ -0.0001977000000000, -0.0000108000000000, 0.0003135900000000 ] - [ -0.0003004300000000, -0.0000303700000000, -0.0000814500000000 ] - [ -0.0001094200000000, 0.0000084400000000, 0.0000841600000000 ] - [ 0.0002300100000000, 0.0000027400000000, 0.0000563300000000 ] - [ 0.0003262200000000, -0.0002092200000000, -0.0002738200000000 ] - [ -0.0006887500000000, -0.0003700600000000, -0.0001888700000000 ] - [ 0.0009938000000000, 0.0001763400000000, -0.0006451500000000 ] - [ -0.0026118500000000, -0.0016373300000000, 0.0000739000000000 ] - [ -0.0000332300000000, -0.0003026900000000, -0.0000454800000000 ] - [ -0.0004004800000000, 0.0000555500000000, 0.0001442900000000 ] - [ 0.0005365300000000, -0.0001139100000000, -0.0000456000000000 ] - [ -0.0003549600000000, 0.0003864900000000, -0.0001848000000000 ] - [ 0.0006244100000000, -0.0002299300000000, -0.0001566500000000 ] - [ -0.0143738900000000, 0.0042247100000000, -0.0134682700000000 ] - [ -0.0000409000000000, 0.0000951900000000, 0.0000340400000000 ] - [ -0.0002896500000000, -0.0000768200000000, -0.0001288700000000 ] - [ -0.0008525700000000, 0.0002441500000000, 0.0000382400000000 ] - [ 0.0009939400000000, 0.0000716100000000, -0.0004569900000000 ] - [ -0.0001820200000000, -0.0005212500000000, 0.0002669100000000 ] - [ -0.0004918500000000, -0.0003099000000000, -0.0002050100000000 ] - [ -0.0001539300000000, -0.0000741100000000, 0.0002444800000000 ] - [ 0.0003980800000000, 0.0002839100000000, 0.0003391500000000 ] - [ -0.0000943100000000, 0.0001526200000000, 0.0003161700000000 ] - [ 0.0000529700000000, -0.0004089100000000, 0.0001486400000000 ] - [ 0.0020855300000000, -0.0020226400000000, 0.0023750300000000 ] - [ -0.0001950200000000, 0.0000262100000000, -0.0000008100000000 ] - [ -0.0060190200000000, -0.0071141700000000, -0.0357478700000000 ] - [ -0.0000358700000000, 0.0000003800000000, 0.0000825700000000 ] - [ -0.0000670300000000, -0.0004249600000000, -0.0001129300000000 ] - [ 0.0000013400000000, 0.0005989500000000, 0.0000700900000000 ] - [ -0.0011947300000000, 0.0089669300000000, -0.0421944800000000 ] - [ -0.0002945200000000, 0.0000420600000000, 0.0000587200000000 ] - [ -0.0018301400000000, -0.0005819900000000, -0.0001224600000000 ] - [ 0.0005440900000000, 0.0004199400000000, 0.0000525600000000 ] - [ -0.0007197700000000, 0.0001315500000000, 0.0008978400000000 ] - [ -0.0000163800000000, 0.0001705800000000, 0.0000336900000000 ] - [ -0.0000134700000000, -0.0003463800000000, 0.0001230600000000 ] - [ 0.0000784000000000, -0.0000558800000000, -0.0000184200000000 ] - [ -0.0002253200000000, 0.0000687600000000, -0.0000499700000000 ]- atom: 60 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0016374400000000, -0.0003426500000000, -0.0001306300000000 ] - [ -0.0006537200000000, 0.0001486300000000, -0.0000167700000000 ] - [ -0.0068513300000000, -0.0007729800000000, 0.0002471700000000 ] - [ 0.0082928800000000, -0.0090677400000000, 0.0005459500000000 ] - [ 0.0031559500000000, -0.0003911000000000, 0.0004346700000000 ] - [ 0.0007242300000000, 0.0004576800000000, -0.0000363600000000 ] - [ -0.0002630000000000, 0.0006038700000000, -0.0001098000000000 ] - [ 0.0002483200000000, 0.0003513800000000, -0.0001374300000000 ] - [ 0.0420661500000000, -0.0254347200000000, -0.0219776900000000 ] - [ -0.0007753900000000, 0.0006348400000000, 0.0002506500000000 ] - [ 0.0398925700000000, -0.0233618600000000, 0.0181669900000000 ] - [ 0.0000810700000000, 0.0005452800000000, 0.0002192100000000 ] - [ -0.0006781500000000, 0.0006310100000000, -0.0002269100000000 ] - [ 0.0000059900000000, 0.0005445500000000, -0.0001995600000000 ] - [ -0.0032304000000000, 0.0005809300000000, -0.0012306900000000 ] - [ -0.0029835900000000, 0.0005815900000000, 0.0012831700000000 ] - [ 0.0007958900000000, -0.0010106300000000, -0.0001714900000000 ] - [ -0.0029308100000000, 0.0103177600000000, 0.0036328400000000 ] - [ 0.0096024900000000, 0.0084296300000000, -0.0024296900000000 ] - [ 0.0070349300000000, -0.0129949700000000, 0.0032976700000000 ] - [ -0.0017834900000000, -0.0036415000000000, 0.0000703100000000 ] - [ -0.0000987100000000, 0.0005714600000000, 0.0000210000000000 ] - [ -0.0006387300000000, 0.0023983700000000, -0.0008829000000000 ] - [ -0.0004128600000000, 0.0006353200000000, 0.0000200500000000 ] - [ -0.0000188600000000, 0.0012210200000000, 0.0000662200000000 ] - [ 0.0000957500000000, 0.0003315200000000, 0.0000178900000000 ] - [ 0.0030217400000000, -0.0020579100000000, -0.0003111900000000 ] - [ -0.0008985800000000, 0.0006589700000000, -0.0002874400000000 ] - [ -0.0006618300000000, 0.0003454200000000, 0.0000575900000000 ] - [ 0.0025569600000000, 0.0026023300000000, 0.0000744500000000 ] - [ -0.0002201000000000, -0.0000010400000000, 0.0000372200000000 ] - [ -0.0074323000000000, 0.0011139900000000, -0.0001464200000000 ] - [ -0.0093593000000000, 0.0050131100000000, -0.0018181400000000 ] - [ -0.0043842900000000, 0.0008811000000000, -0.0001550500000000 ] - [ 0.0021261700000000, 0.0032326500000000, 0.0000151900000000 ] - [ 0.2400331200000000, -0.0445592300000000, -0.0088475200000000 ] - [ 0.0012259100000000, -0.0009002300000000, 0.0000098200000000 ] - [ -0.0144704900000000, -0.0034119900000000, -0.0004187100000000 ] - [ -0.0000398400000000, 0.0004774200000000, -0.0000481700000000 ] - [ -0.0050763100000000, -0.0034695000000000, -0.0003401100000000 ] - [ 0.0010449000000000, 0.0011863000000000, 0.0000758700000000 ] - [ -0.0037201700000000, -0.0037441900000000, -0.0000826100000000 ] - [ -0.0010990300000000, 0.0015025500000000, -0.0002412100000000 ] - [ -0.0091007800000000, -0.0085592200000000, -0.0038299500000000 ] - [ -0.0003780500000000, 0.0013953500000000, -0.0001501500000000 ] - [ 0.0009917000000000, -0.0025491200000000, 0.0001957100000000 ] - [ 0.0000302400000000, 0.0008577200000000, 0.0002135200000000 ] - [ -0.0009956000000000, 0.0002762500000000, -0.0001526800000000 ] - [ -0.0001364100000000, -0.0003965100000000, -0.0000504200000000 ] - [ 0.0000506800000000, -0.0002608900000000, 0.0001857400000000 ] - [ -0.0006679600000000, 0.0006862500000000, -0.0000807500000000 ] - [ 0.0037036100000000, 0.0041255700000000, 0.0005791500000000 ] - [ -0.0018463200000000, -0.0005689900000000, -0.0000334700000000 ] - [ -0.0004207500000000, 0.0006995300000000, 0.0001275700000000 ] - [ -0.0000439700000000, -0.0005500300000000, 0.0000400900000000 ] - [ 0.0008536600000000, 0.0036899000000000, -0.0003487100000000 ] - [ 0.0056073000000000, -0.0011457800000000, 0.0011480300000000 ] - [ 0.0097402400000000, -0.0052320600000000, 0.0009095500000000 ] - [ -0.0007269200000000, -0.0010581900000000, 0.0000638600000000 ] - [ -0.3662998300000000, 0.1456166100000000, 0.0145544500000000 ] - [ 0.0004430700000000, -0.0014646700000000, 0.0000556300000000 ] - [ -0.0027533100000000, -0.0045943800000000, -0.0005359400000000 ] - [ 0.0005765200000000, -0.0009203700000000, -0.0001960000000000 ] - [ 0.0013824600000000, -0.0007684900000000, 0.0001380600000000 ] - [ -0.0003254700000000, -0.0001019200000000, 0.0000694000000000 ] - [ -0.0001179200000000, -0.0004250400000000, 0.0003256000000000 ] - [ -0.0001739700000000, -0.0003172000000000, -0.0000968700000000 ] - [ -0.0004576200000000, -0.0005564200000000, 0.0000728400000000 ] - [ -0.0006019000000000, -0.0036043800000000, -0.0000808900000000 ] - [ -0.0050250300000000, 0.0020333900000000, -0.0005067100000000 ] - [ 0.0005819200000000, -0.0044364100000000, 0.0025386900000000 ] - [ 0.0081428900000000, -0.0276408700000000, -0.0013289500000000 ] - [ 0.0168745400000000, 0.0097664200000000, -0.0064132300000000 ] - [ 0.0011545500000000, -0.0016491300000000, 0.0002017100000000 ] - [ -0.0015168200000000, -0.0014147400000000, 0.0000416700000000 ] - [ -0.0001240600000000, 0.0016966200000000, -0.0000850600000000 ] - [ -0.0001356700000000, 0.0000737500000000, -0.0002078700000000 ] - [ 0.0041311500000000, 0.0011474500000000, 0.0000045700000000 ] - [ 0.0091206000000000, 0.0012790800000000, 0.0008426500000000 ] - [ 0.0000979800000000, -0.0004922800000000, 0.0000203000000000 ] - [ -0.0003950000000000, -0.0009652000000000, -0.0002054900000000 ] - [ -0.0031129000000000, -0.0001885400000000, -0.0000563400000000 ] - [ 0.0032045300000000, -0.0014268700000000, -0.0016297400000000 ] - [ 0.0152076300000000, -0.0036857800000000, 0.0133444800000000 ] - [ -0.0013539200000000, -0.0003799800000000, -0.0001845600000000 ] - [ -0.0002359800000000, -0.0008021700000000, 0.0002715500000000 ] - [ 0.0012300300000000, 0.0025234600000000, 0.0004642900000000 ] - [ -0.0000633400000000, 0.0001143300000000, 0.0003296400000000 ] - [ 0.0036488700000000, 0.0001898300000000, 0.0000559200000000 ] - [ 0.0044492300000000, 0.0001742600000000, -0.0000546000000000 ] - [ -0.0000941800000000, -0.0005914300000000, -0.0000096100000000 ] - [ 0.0047060000000000, -0.0003254300000000, 0.0006638800000000 ] - [ 0.0004487900000000, -0.0006101800000000, 0.0000803600000000 ] - [ 0.0083524300000000, -0.0183054400000000, -0.0079900700000000 ] - [ 0.0062940500000000, -0.0034324900000000, -0.0004920000000000 ] - [ 0.0056753300000000, 0.0009378600000000, -0.0013255600000000 ] - [ 0.0001743800000000, -0.0006445300000000, 0.0001030400000000 ] - [ -0.0140965400000000, 0.0060889200000000, 0.0006292600000000 ] - [ -0.0004422800000000, 0.0018170400000000, -0.0000835100000000 ] - [ 0.0026985800000000, 0.0055115100000000, -0.0005339700000000 ] - [ -0.0003736800000000, -0.0007455500000000, 0.0000611300000000 ] - [ 0.0004764700000000, -0.0005868700000000, 0.0001257800000000 ] - [ -0.0000352000000000, -0.0000135300000000, -0.0000512100000000 ] - [ 0.0003156800000000, -0.0001264500000000, -0.0000413000000000 ]- atom: 60 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0016280400000000, 0.0002093400000000, 0.0001097500000000 ] - [ 0.0006497400000000, -0.0002738200000000, -0.0000030400000000 ] - [ 0.0069747200000000, 0.0009123700000000, -0.0004940800000000 ] - [ -0.0081276200000000, 0.0088505200000000, -0.0007968400000000 ] - [ -0.0031399000000000, 0.0005536900000000, -0.0004557100000000 ] - [ -0.0007203800000000, -0.0003241600000000, 0.0000162700000000 ] - [ 0.0001028200000000, -0.0004518600000000, -0.0001420900000000 ] - [ -0.0004041300000000, -0.0004929500000000, -0.0001141000000000 ] - [ -0.0415333200000000, 0.0261053700000000, 0.0224325200000000 ] - [ 0.0003498200000000, -0.0007250900000000, -0.0004153000000000 ] - [ -0.0394477000000000, 0.0239626600000000, -0.0185120000000000 ] - [ -0.0003732700000000, -0.0004490000000000, -0.0000129700000000 ] - [ 0.0003808900000000, -0.0007181300000000, 0.0004300100000000 ] - [ -0.0004264000000000, -0.0004451600000000, 0.0000318900000000 ] - [ 0.0035098400000000, -0.0006680600000000, 0.0014294200000000 ] - [ 0.0033917600000000, -0.0006723500000000, -0.0014430400000000 ] - [ -0.0005781500000000, 0.0004568000000000, 0.0001217400000000 ] - [ 0.0027758500000000, -0.0098078000000000, -0.0035455100000000 ] - [ -0.0093327800000000, -0.0083418800000000, 0.0025198700000000 ] - [ -0.0062614200000000, 0.0125885300000000, -0.0034692200000000 ] - [ 0.0023704800000000, 0.0038907400000000, -0.0002705200000000 ] - [ 0.0003091100000000, -0.0000146700000000, -0.0000703800000000 ] - [ 0.0003981700000000, -0.0023660400000000, 0.0007974600000000 ] - [ 0.0002006400000000, -0.0006799400000000, 0.0000840200000000 ] - [ 0.0001614000000000, -0.0007637200000000, 0.0000079800000000 ] - [ 0.0000487500000000, -0.0007735200000000, 0.0000558900000000 ] - [ -0.0024168600000000, 0.0019363000000000, 0.0001963800000000 ] - [ 0.0005016900000000, -0.0008577100000000, -0.0000916500000000 ] - [ 0.0002700900000000, -0.0005520400000000, 0.0002443000000000 ] - [ -0.0029433300000000, -0.0023838300000000, -0.0004498400000000 ] - [ 0.0007968000000000, 0.0001157100000000, -0.0001481900000000 ] - [ 0.0076101800000000, -0.0011803800000000, 0.0002485600000000 ] - [ 0.0095356100000000, -0.0049727900000000, 0.0017282800000000 ] - [ 0.0047510700000000, -0.0010934400000000, -0.0002270100000000 ] - [ -0.0017223300000000, -0.0030086000000000, -0.0003915100000000 ] - [ -0.2256209100000000, 0.0413299000000000, 0.0083417700000000 ] - [ -0.0017990800000000, 0.0007869800000000, -0.0001217500000000 ] - [ 0.0142706300000000, 0.0029311700000000, 0.0004878800000000 ] - [ -0.0005574700000000, -0.0007276000000000, -0.0001548400000000 ] - [ 0.0054626000000000, 0.0032499200000000, 0.0006425100000000 ] - [ -0.0012512000000000, -0.0011249200000000, 0.0000282100000000 ] - [ 0.0031264200000000, 0.0038348000000000, -0.0000255500000000 ] - [ 0.0013291300000000, -0.0014743200000000, 0.0001597700000000 ] - [ 0.0088384600000000, 0.0090485400000000, 0.0037378600000000 ] - [ 0.0001405400000000, -0.0014022400000000, 0.0000697200000000 ] - [ -0.0012120900000000, 0.0019973700000000, -0.0002443400000000 ] - [ -0.0004185000000000, -0.0006380400000000, 0.0000893900000000 ] - [ 0.0003944600000000, -0.0000167600000000, -0.0000517200000000 ] - [ -0.0003643700000000, 0.0006221000000000, -0.0001988700000000 ] - [ -0.0003375900000000, 0.0004585300000000, 0.0002925000000000 ] - [ 0.0000625100000000, -0.0005420000000000, -0.0000840200000000 ] - [ -0.0034046700000000, -0.0039082200000000, -0.0000896500000000 ] - [ 0.0023459800000000, 0.0004656400000000, -0.0000658600000000 ] - [ 0.0003061600000000, -0.0005300500000000, -0.0001766600000000 ] - [ -0.0000265200000000, 0.0002952300000000, 0.0000329300000000 ] - [ -0.0009705000000000, -0.0038277400000000, 0.0002963200000000 ] - [ -0.0051615300000000, 0.0011008000000000, -0.0011402800000000 ] - [ -0.0095974900000000, 0.0050290000000000, -0.0008275300000000 ] - [ 0.0003083400000000, 0.0011018600000000, -0.0000635000000000 ] - [ 0.3513540200000000, -0.1431149400000000, -0.0136747800000000 ] - [ -0.0003246700000000, 0.0013841500000000, -0.0002558100000000 ] - [ 0.0031499900000000, 0.0046227700000000, 0.0005285100000000 ] - [ -0.0006895200000000, 0.0009845100000000, -0.0000059600000000 ] - [ -0.0013398700000000, 0.0005060500000000, -0.0000668800000000 ] - [ 0.0001181900000000, 0.0008137600000000, 0.0000963100000000 ] - [ -0.0002520100000000, 0.0003428400000000, 0.0003074800000000 ] - [ -0.0004255500000000, 0.0001716100000000, -0.0000683300000000 ] - [ 0.0002569400000000, 0.0004962300000000, 0.0000957700000000 ] - [ 0.0011697900000000, 0.0035605800000000, 0.0002052800000000 ] - [ 0.0057583600000000, -0.0027400000000000, 0.0001303700000000 ] - [ -0.0006971300000000, 0.0043473500000000, -0.0027391600000000 ] - [ -0.0079372600000000, 0.0279861400000000, 0.0014215100000000 ] - [ -0.0162148600000000, -0.0096933100000000, 0.0069219200000000 ] - [ -0.0011851100000000, 0.0013823300000000, -0.0001306000000000 ] - [ 0.0009428100000000, 0.0013866800000000, 0.0000842800000000 ] - [ 0.0007276500000000, -0.0015509100000000, -0.0000798700000000 ] - [ -0.0006125800000000, 0.0006504200000000, -0.0001661100000000 ] - [ -0.0039180300000000, -0.0010881100000000, 0.0001632000000000 ] - [ -0.0083253600000000, -0.0005383300000000, -0.0012022000000000 ] - [ -0.0001671900000000, 0.0007378300000000, 0.0000526600000000 ] - [ -0.0001061000000000, 0.0007263000000000, -0.0000446200000000 ] - [ 0.0025864100000000, 0.0000825400000000, -0.0000444500000000 ] - [ -0.0030687900000000, 0.0014858300000000, 0.0014173300000000 ] - [ -0.0146593700000000, 0.0034091500000000, -0.0126068300000000 ] - [ 0.0005984100000000, -0.0003523800000000, -0.0001889700000000 ] - [ -0.0000526100000000, 0.0005933400000000, 0.0002070600000000 ] - [ -0.0008549400000000, -0.0024448600000000, 0.0001648000000000 ] - [ -0.0003086400000000, -0.0000379700000000, 0.0003033600000000 ] - [ -0.0034285000000000, -0.0009087000000000, 0.0001091000000000 ] - [ -0.0039184800000000, -0.0000714500000000, -0.0000444400000000 ] - [ -0.0003235200000000, 0.0005325600000000, 0.0000095000000000 ] - [ -0.0040963700000000, 0.0003481600000000, -0.0005281600000000 ] - [ -0.0006434400000000, 0.0006605500000000, 0.0000883700000000 ] - [ -0.0077641600000000, 0.0178304900000000, 0.0076488700000000 ] - [ -0.0061911400000000, 0.0036614100000000, 0.0005633700000000 ] - [ -0.0051597300000000, -0.0006922100000000, 0.0010653900000000 ] - [ -0.0007443600000000, 0.0006576300000000, 0.0000228800000000 ] - [ 0.0141736800000000, -0.0054299700000000, -0.0004884100000000 ] - [ 0.0005497900000000, -0.0016387200000000, 0.0000329100000000 ] - [ -0.0021079100000000, -0.0056135100000000, 0.0003664600000000 ] - [ 0.0003328100000000, 0.0009945400000000, 0.0000098200000000 ] - [ -0.0006800300000000, -0.0001307300000000, 0.0000402300000000 ] - [ 0.0001493500000000, -0.0001578600000000, 0.0000013400000000 ] - [ -0.0008241500000000, 0.0002232100000000, -0.0000581900000000 ]- atom: 60 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007333000000000, -0.0006938000000000, 0.0000244800000000 ] - [ -0.0001332700000000, -0.0011342200000000, -0.0000787600000000 ] - [ 0.0012028900000000, 0.0042398900000000, 0.0005308700000000 ] - [ -0.0056018600000000, -0.0005511600000000, -0.0006196000000000 ] - [ -0.0020027300000000, -0.0041565200000000, -0.0001241700000000 ] - [ -0.0001138800000000, -0.0029367000000000, 0.0001577200000000 ] - [ 0.0000282900000000, -0.0018629400000000, -0.0001528900000000 ] - [ -0.0003559600000000, -0.0021449300000000, -0.0000981300000000 ] - [ -0.0244293200000000, 0.0665565700000000, 0.0384876200000000 ] - [ 0.0003010100000000, -0.0015319900000000, -0.0004349500000000 ] - [ -0.0232923300000000, 0.0673083600000000, -0.0364164000000000 ] - [ -0.0002883200000000, -0.0014838600000000, -0.0000384400000000 ] - [ 0.0003367000000000, -0.0015109800000000, 0.0004375200000000 ] - [ -0.0003381400000000, -0.0014851600000000, 0.0000707300000000 ] - [ 0.0018552700000000, 0.0002810100000000, 0.0008872400000000 ] - [ 0.0015848300000000, 0.0003501100000000, -0.0007944600000000 ] - [ -0.0006026400000000, -0.0017484400000000, 0.0001429600000000 ] - [ 0.0056482600000000, 0.0037577300000000, -0.0078059800000000 ] - [ 0.0013239400000000, -0.0090412400000000, 0.0016001400000000 ] - [ -0.0098918300000000, 0.0129774800000000, 0.0031014800000000 ] - [ -0.0007724700000000, 0.0027065500000000, -0.0010368700000000 ] - [ 0.0000774700000000, -0.0020138300000000, -0.0001063100000000 ] - [ 0.0008565100000000, -0.0028764200000000, 0.0007578700000000 ] - [ -0.0002243300000000, -0.0021785500000000, 0.0000599900000000 ] - [ 0.0003411900000000, -0.0026590700000000, 0.0000587500000000 ] - [ 0.0000565200000000, -0.0026119500000000, -0.0000144900000000 ] - [ -0.0019152200000000, -0.0009612900000000, 0.0000351400000000 ] - [ 0.0000087500000000, -0.0021159900000000, -0.0001242400000000 ] - [ -0.0000646000000000, -0.0022562500000000, 0.0002585400000000 ] - [ -0.0012192500000000, -0.0037422500000000, -0.0003378000000000 ] - [ -0.0003339000000000, -0.0022353300000000, 0.0001310800000000 ] - [ 0.0016300200000000, 0.0042210700000000, -0.0000319100000000 ] - [ 0.0094107400000000, -0.0060545000000000, 0.0020888900000000 ] - [ 0.0025438500000000, 0.0023024000000000, 0.0005110900000000 ] - [ 0.0002745600000000, -0.0037341600000000, -0.0007095800000000 ] - [ -0.0467559700000000, 0.0420273200000000, 0.0024897700000000 ] - [ -0.0020158400000000, -0.0020037900000000, -0.0005453800000000 ] - [ 0.0020869900000000, 0.0054176300000000, 0.0003629600000000 ] - [ -0.0004205600000000, -0.0025225700000000, -0.0001936700000000 ] - [ -0.0003275100000000, 0.0047106800000000, -0.0000253100000000 ] - [ -0.0005141300000000, -0.0027822900000000, 0.0000754600000000 ] - [ 0.0000826600000000, 0.0001442000000000, 0.0001401000000000 ] - [ 0.0025186300000000, -0.0018906000000000, 0.0003091800000000 ] - [ -0.0013021600000000, 0.0010850000000000, -0.0004411700000000 ] - [ 0.0003165400000000, -0.0025656700000000, 0.0002247900000000 ] - [ -0.0067119900000000, -0.0017652900000000, 0.0001923000000000 ] - [ -0.0002179100000000, -0.0023864700000000, 0.0000262100000000 ] - [ -0.0002625300000000, -0.0018074600000000, -0.0000466700000000 ] - [ -0.0001516300000000, 0.0021792300000000, -0.0002260300000000 ] - [ -0.0002641600000000, 0.0021543500000000, 0.0003127700000000 ] - [ 0.0005269500000000, 0.0014140500000000, -0.0001583900000000 ] - [ 0.0005584000000000, -0.0043283900000000, -0.0002538200000000 ] - [ 0.0012746100000000, 0.0017929700000000, 0.0001332000000000 ] - [ 0.0018064900000000, 0.0023168800000000, 0.0000077700000000 ] - [ -0.0003108000000000, 0.0014449900000000, 0.0000517500000000 ] - [ 0.0004837400000000, -0.0005463600000000, 0.0000962400000000 ] - [ -0.0005361200000000, -0.0031793100000000, 0.0003232500000000 ] - [ -0.0018426500000000, -0.0100856200000000, 0.0002439300000000 ] - [ -0.0002867500000000, 0.0026082700000000, -0.0000273800000000 ] - [ 0.1459847700000000, -0.1954033800000000, -0.0094999800000000 ] - [ -0.0011547200000000, 0.0021897000000000, -0.0002604200000000 ] - [ -0.0005857200000000, 0.0024851700000000, -0.0002414700000000 ] - [ -0.0009973700000000, 0.0016971300000000, 0.0000110000000000 ] - [ -0.0013389900000000, 0.0000547000000000, -0.0000048100000000 ] - [ 0.0000170800000000, 0.0023299800000000, 0.0000571300000000 ] - [ -0.0007088300000000, 0.0017352800000000, 0.0002291700000000 ] - [ -0.0006192000000000, 0.0019013700000000, -0.0000103500000000 ] - [ 0.0004268300000000, 0.0016930500000000, 0.0000883400000000 ] - [ -0.0009723800000000, 0.0035312000000000, 0.0003234400000000 ] - [ 0.0042231100000000, 0.0069962200000000, -0.0000925400000000 ] - [ -0.0009988900000000, 0.0044177600000000, -0.0022548200000000 ] - [ -0.0241154100000000, 0.0258610900000000, 0.0002784900000000 ] - [ 0.0067568800000000, -0.0074893500000000, -0.0030422700000000 ] - [ -0.0014287500000000, 0.0022778300000000, -0.0001060200000000 ] - [ 0.0002098800000000, 0.0023471100000000, 0.0002232600000000 ] - [ 0.0022141100000000, 0.0003060900000000, -0.0006236900000000 ] - [ -0.0000579800000000, 0.0017560300000000, -0.0000806600000000 ] - [ -0.0010204500000000, -0.0021986300000000, 0.0003056700000000 ] - [ 0.0008032900000000, -0.0013149500000000, -0.0003206300000000 ] - [ -0.0000246500000000, 0.0017569800000000, 0.0000360800000000 ] - [ -0.0003740600000000, 0.0023632700000000, -0.0000241200000000 ] - [ 0.0013756400000000, 0.0017771800000000, 0.0000516200000000 ] - [ -0.0034617000000000, 0.0015595100000000, 0.0020827500000000 ] - [ -0.0085364100000000, -0.0131058800000000, -0.0053849400000000 ] - [ 0.0000429800000000, 0.0011072300000000, -0.0002736700000000 ] - [ -0.0000382500000000, 0.0023227700000000, 0.0002169200000000 ] - [ 0.0027414600000000, -0.0018939700000000, 0.0004087800000000 ] - [ 0.0003468600000000, 0.0014657300000000, 0.0003306500000000 ] - [ -0.0003221900000000, -0.0006355800000000, 0.0002735900000000 ] - [ -0.0009987200000000, -0.0001665100000000, -0.0002775100000000 ] - [ -0.0000017300000000, 0.0019151100000000, -0.0000358000000000 ] - [ -0.0038598500000000, -0.0011690600000000, -0.0013727900000000 ] - [ -0.0007366200000000, 0.0016762500000000, 0.0000921400000000 ] - [ -0.0205854400000000, 0.0123721300000000, 0.0131480400000000 ] - [ -0.0043904100000000, -0.0010750800000000, 0.0021335800000000 ] - [ -0.0003542500000000, -0.0041690500000000, 0.0001448400000000 ] - [ -0.0007578500000000, 0.0016250800000000, -0.0001283800000000 ] - [ 0.0055501400000000, 0.0003180700000000, 0.0006264200000000 ] - [ 0.0006018400000000, 0.0006713800000000, 0.0000993500000000 ] - [ 0.0016760300000000, -0.0024171200000000, -0.0006560300000000 ] - [ 0.0004883500000000, 0.0022156500000000, 0.0000133300000000 ] - [ -0.0003645700000000, 0.0008426500000000, 0.0000626100000000 ] - [ 0.0007407100000000, 0.0018980800000000, 0.0000574000000000 ] - [ 0.0002371300000000, 0.0011603600000000, -0.0000926700000000 ]- atom: 60 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007262900000000, 0.0005686700000000, -0.0000444000000000 ] - [ 0.0001353900000000, 0.0010000000000000, 0.0000586400000000 ] - [ -0.0010217800000000, -0.0040917300000000, -0.0007853400000000 ] - [ 0.0057442600000000, 0.0003218300000000, 0.0003810000000000 ] - [ 0.0019871000000000, 0.0042802900000000, 0.0001007100000000 ] - [ 0.0001118300000000, 0.0030665300000000, -0.0001778800000000 ] - [ -0.0001860900000000, 0.0020075000000000, -0.0000990200000000 ] - [ 0.0001956000000000, 0.0019960600000000, -0.0001529200000000 ] - [ 0.0235241800000000, -0.0650650100000000, -0.0365577200000000 ] - [ -0.0007192400000000, 0.0014352700000000, 0.0002669900000000 ] - [ 0.0222842000000000, -0.0656354500000000, 0.0345233200000000 ] - [ -0.0000055100000000, 0.0015732200000000, 0.0002434900000000 ] - [ -0.0006268300000000, 0.0014176100000000, -0.0002311300000000 ] - [ -0.0000838600000000, 0.0015777400000000, -0.0002371900000000 ] - [ -0.0015580100000000, -0.0003766200000000, -0.0006770700000000 ] - [ -0.0011578600000000, -0.0004506400000000, 0.0006218500000000 ] - [ 0.0008066000000000, 0.0012009900000000, -0.0001920400000000 ] - [ -0.0057987900000000, -0.0033855400000000, 0.0078821400000000 ] - [ -0.0011456200000000, 0.0090951800000000, -0.0014706100000000 ] - [ 0.0104598900000000, -0.0131725600000000, -0.0033289600000000 ] - [ 0.0013789400000000, -0.0024556800000000, 0.0008342200000000 ] - [ 0.0001325300000000, 0.0025633900000000, 0.0000562600000000 ] - [ -0.0010890300000000, 0.0028839400000000, -0.0008343600000000 ] - [ 0.0000161300000000, 0.0021251100000000, 0.0000442300000000 ] - [ -0.0001963800000000, 0.0031023900000000, 0.0000152000000000 ] - [ 0.0000864000000000, 0.0021625500000000, 0.0000888600000000 ] - [ 0.0024770600000000, 0.0008588800000000, -0.0001457700000000 ] - [ -0.0004002700000000, 0.0019066500000000, -0.0002539200000000 ] - [ -0.0003212600000000, 0.0020440100000000, 0.0000444200000000 ] - [ 0.0008155200000000, 0.0039336900000000, -0.0000412200000000 ] - [ 0.0009138100000000, 0.0023458900000000, -0.0002440600000000 ] - [ -0.0013936800000000, -0.0042562800000000, 0.0001308900000000 ] - [ -0.0091685300000000, 0.0060325900000000, -0.0021604300000000 ] - [ -0.0021316000000000, -0.0024904400000000, -0.0008845700000000 ] - [ 0.0001155000000000, 0.0039401900000000, 0.0003279400000000 ] - [ 0.0469105900000000, -0.0411510500000000, -0.0021683700000000 ] - [ 0.0014382800000000, 0.0018918400000000, 0.0004348400000000 ] - [ -0.0022682900000000, -0.0058725400000000, -0.0002874700000000 ] - [ -0.0001773400000000, 0.0022629000000000, -0.0000101900000000 ] - [ 0.0007202900000000, -0.0049243600000000, 0.0003244500000000 ] - [ 0.0003002600000000, 0.0028278900000000, 0.0000286500000000 ] - [ -0.0006511100000000, -0.0000143800000000, -0.0002528500000000 ] - [ -0.0022855700000000, 0.0019024800000000, -0.0003885500000000 ] - [ 0.0011213000000000, -0.0004838900000000, 0.0004160400000000 ] - [ -0.0005538600000000, 0.0025445000000000, -0.0003056100000000 ] - [ 0.0065182000000000, 0.0012098900000000, -0.0002436000000000 ] - [ -0.0001698200000000, 0.0025944300000000, 0.0002762200000000 ] - [ -0.0003329000000000, 0.0020644400000000, -0.0001573000000000 ] - [ -0.0003495200000000, -0.0019467700000000, -0.0000237500000000 ] - [ -0.0000236700000000, -0.0019508500000000, 0.0001657600000000 ] - [ -0.0011247100000000, -0.0012752300000000, -0.0000067600000000 ] - [ -0.0002690600000000, 0.0045375400000000, 0.0007317300000000 ] - [ -0.0007597300000000, -0.0018926200000000, -0.0002327600000000 ] - [ -0.0019259800000000, -0.0021487300000000, -0.0000583400000000 ] - [ 0.0002413600000000, -0.0016941700000000, 0.0000214500000000 ] - [ -0.0005986700000000, 0.0003570500000000, -0.0001449900000000 ] - [ 0.0009542500000000, 0.0031119900000000, -0.0003214100000000 ] - [ 0.0019739400000000, 0.0097845800000000, -0.0001199100000000 ] - [ -0.0001289300000000, -0.0025497900000000, 0.0000264900000000 ] - [ -0.1426937000000000, 0.1915679300000000, 0.0096996500000000 ] - [ 0.0012737500000000, -0.0022599600000000, 0.0000582900000000 ] - [ 0.0010162800000000, -0.0024302900000000, 0.0002435600000000 ] - [ 0.0008799600000000, -0.0016217700000000, -0.0002112100000000 ] - [ 0.0013784800000000, -0.0003044400000000, 0.0000749700000000 ] - [ -0.0002217100000000, -0.0016123000000000, 0.0001090000000000 ] - [ 0.0003374600000000, -0.0018118800000000, 0.0004039900000000 ] - [ 0.0000181300000000, -0.0020421700000000, -0.0001547100000000 ] - [ -0.0006240000000000, -0.0017456200000000, 0.0000801800000000 ] - [ 0.0015471900000000, -0.0035414000000000, -0.0001977400000000 ] - [ -0.0034809600000000, -0.0077712100000000, -0.0002896100000000 ] - [ 0.0008783900000000, -0.0044663600000000, 0.0020393800000000 ] - [ 0.0238120000000000, -0.0252090700000000, -0.0001889600000000 ] - [ -0.0064386900000000, 0.0073553900000000, 0.0036921800000000 ] - [ 0.0013855600000000, -0.0025279700000000, 0.0001762700000000 ] - [ -0.0007772700000000, -0.0023587700000000, -0.0000970700000000 ] - [ -0.0016197100000000, -0.0001623600000000, 0.0004594700000000 ] - [ -0.0006925300000000, -0.0010268500000000, -0.0002927000000000 ] - [ 0.0012131900000000, 0.0022555700000000, -0.0001364400000000 ] - [ -0.0000844700000000, 0.0020318300000000, -0.0000554200000000 ] - [ -0.0000465700000000, -0.0015041400000000, 0.0000373500000000 ] - [ -0.0001262400000000, -0.0025903700000000, -0.0002251400000000 ] - [ -0.0018734900000000, -0.0018741300000000, -0.0001512700000000 ] - [ 0.0035532200000000, -0.0014790800000000, -0.0022653500000000 ] - [ 0.0087884200000000, 0.0129794500000000, 0.0058308600000000 ] - [ -0.0007877300000000, -0.0018353800000000, -0.0000995100000000 ] - [ -0.0002494700000000, -0.0025223200000000, 0.0002611000000000 ] - [ -0.0023773900000000, 0.0019783300000000, 0.0002250900000000 ] - [ -0.0007176600000000, -0.0013876300000000, 0.0003021500000000 ] - [ 0.0005202400000000, -0.0000760200000000, -0.0001072900000000 ] - [ 0.0014955000000000, 0.0002605400000000, 0.0001759100000000 ] - [ -0.0004163100000000, -0.0019662700000000, 0.0000352800000000 ] - [ 0.0043966300000000, 0.0011795500000000, 0.0014845200000000 ] - [ 0.0005359400000000, -0.0016190500000000, 0.0000763400000000 ] - [ 0.0213037100000000, -0.0127056300000000, -0.0135488400000000 ] - [ 0.0044542700000000, 0.0013507800000000, -0.0020695500000000 ] - [ 0.0008559600000000, 0.0043954200000000, -0.0003986300000000 ] - [ 0.0001847700000000, -0.0016044000000000, 0.0002539600000000 ] - [ -0.0053045100000000, 0.0003571600000000, -0.0004287100000000 ] - [ -0.0004825300000000, -0.0005106800000000, -0.0001483400000000 ] - [ -0.0010829400000000, 0.0022515500000000, 0.0004947000000000 ] - [ -0.0005243600000000, -0.0019568500000000, 0.0000575900000000 ] - [ 0.0001567700000000, -0.0015593300000000, 0.0001031800000000 ] - [ -0.0006256800000000, -0.0020660400000000, -0.0001071900000000 ] - [ -0.0007515100000000, -0.0010591300000000, -0.0000066000000000 ]- atom: 60 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000024800000000, -0.0000489600000000, -0.0000166300000000 ] - [ 0.0000197200000000, 0.0000892500000000, -0.0000049300000000 ] - [ -0.0011477900000000, -0.0008241900000000, -0.0007923900000000 ] - [ -0.0006951800000000, 0.0006292600000000, -0.0099545400000000 ] - [ 0.0000997400000000, -0.0001769700000000, 0.0002764800000000 ] - [ -0.0001247800000000, 0.0000046500000000, 0.0000427700000000 ] - [ -0.0000780200000000, 0.0000901800000000, -0.0001249000000000 ] - [ -0.0000822500000000, -0.0000715300000000, -0.0001251400000000 ] - [ -0.0268496700000000, 0.0452377700000000, 0.0592031500000000 ] - [ -0.0002150600000000, -0.0000442000000000, -0.0000798600000000 ] - [ 0.0204896800000000, -0.0415068500000000, 0.0506235900000000 ] - [ -0.0001527800000000, 0.0000355500000000, 0.0000978500000000 ] - [ -0.0001529800000000, -0.0000369100000000, 0.0000974900000000 ] - [ -0.0002140800000000, 0.0000317300000000, -0.0000793600000000 ] - [ 0.0003408400000000, 0.0000766900000000, -0.0003040800000000 ] - [ 0.0000802800000000, 0.0001999700000000, 0.0003885700000000 ] - [ 0.0001343400000000, -0.0003161600000000, -0.0000821100000000 ] - [ 0.0020337700000000, 0.0072453800000000, -0.0082040800000000 ] - [ -0.0032758600000000, -0.0022685900000000, 0.0039570900000000 ] - [ 0.0010849700000000, -0.0057826500000000, -0.0074097800000000 ] - [ 0.0002262100000000, 0.0004018200000000, -0.0001596000000000 ] - [ 0.0001005300000000, 0.0003170800000000, -0.0000311900000000 ] - [ -0.0000690200000000, 0.0000781600000000, 0.0000580500000000 ] - [ -0.0000779200000000, -0.0000101900000000, 0.0000432100000000 ] - [ 0.0000733100000000, 0.0002302700000000, 0.0000313300000000 ] - [ 0.0000863600000000, -0.0002173800000000, 0.0000413400000000 ] - [ 0.0002485900000000, -0.0000322100000000, 0.0000355400000000 ] - [ -0.0001177100000000, -0.0000990600000000, -0.0001481200000000 ] - [ -0.0001935500000000, -0.0001000900000000, 0.0001427800000000 ] - [ -0.0002168100000000, 0.0000823700000000, -0.0002188400000000 ] - [ 0.0002962900000000, 0.0001245100000000, -0.0000518900000000 ] - [ 0.0006158900000000, -0.0007156700000000, -0.0003941200000000 ] - [ 0.0000646300000000, -0.0000545600000000, -0.0006968700000000 ] - [ 0.0001858200000000, -0.0001756800000000, 0.0000107600000000 ] - [ 0.0000229800000000, 0.0003670600000000, -0.0011692000000000 ] - [ -0.0101807800000000, 0.0010493000000000, 0.0282463500000000 ] - [ -0.0003809000000000, 0.0000894000000000, -0.0000620400000000 ] - [ 0.0003833200000000, -0.0003901900000000, 0.0019964900000000 ] - [ -0.0003432400000000, -0.0001170500000000, -0.0001041500000000 ] - [ 0.0000768500000000, 0.0001395800000000, 0.0001870500000000 ] - [ -0.0001157000000000, 0.0000504700000000, 0.0000630600000000 ] - [ -0.0004718000000000, -0.0001557400000000, -0.0004557200000000 ] - [ 0.0007650400000000, -0.0000819600000000, 0.0003515900000000 ] - [ 0.0004100400000000, 0.0017274500000000, 0.0024376800000000 ] - [ -0.0000387500000000, -0.0000627900000000, -0.0001373100000000 ] - [ -0.0003027500000000, -0.0000258600000000, 0.0000096300000000 ] - [ -0.0002121000000000, 0.0001158400000000, 0.0001490500000000 ] - [ -0.0002873700000000, 0.0001350000000000, -0.0000857900000000 ] - [ -0.0002564500000000, 0.0001063200000000, -0.0001259900000000 ] - [ -0.0001492500000000, 0.0000931300000000, 0.0002393400000000 ] - [ -0.0002997300000000, 0.0000221900000000, -0.0000879100000000 ] - [ -0.0000872400000000, 0.0001488900000000, 0.0002915700000000 ] - [ 0.0004030700000000, -0.0001826200000000, 0.0000571300000000 ] - [ 0.0000164500000000, 0.0000022600000000, 0.0000105000000000 ] - [ -0.0000467300000000, -0.0001204200000000, 0.0000383000000000 ] - [ -0.0000128800000000, -0.0004468900000000, -0.0000545300000000 ] - [ 0.0008736600000000, 0.0000494700000000, -0.0001508000000000 ] - [ 0.0000046800000000, 0.0008193800000000, 0.0169695200000000 ] - [ -0.0001997500000000, 0.0000370000000000, 0.0000012700000000 ] - [ 0.0162752400000000, -0.0122178400000000, -0.1719765200000000 ] - [ 0.0000302700000000, -0.0001880100000000, -0.0000838300000000 ] - [ 0.0005058800000000, -0.0011932600000000, 0.0002483500000000 ] - [ -0.0002307200000000, 0.0000827500000000, -0.0001278300000000 ] - [ -0.0003171600000000, -0.0002924500000000, -0.0000165900000000 ] - [ -0.0000831300000000, 0.0003880600000000, 0.0000820000000000 ] - [ -0.0001654000000000, -0.0000613900000000, 0.0003140800000000 ] - [ -0.0002841700000000, -0.0001052000000000, -0.0000801400000000 ] - [ -0.0000850100000000, -0.0000228700000000, 0.0000838200000000 ] - [ 0.0004266500000000, 0.0016562200000000, 0.0002635000000000 ] - [ 0.0014139500000000, -0.0001664900000000, -0.0005098100000000 ] - [ -0.0000794200000000, 0.0001004500000000, -0.0001189500000000 ] - [ 0.0012291400000000, -0.0005534300000000, -0.0010985700000000 ] - [ -0.0075966500000000, -0.0031725300000000, 0.0002254300000000 ] - [ -0.0000234100000000, -0.0001650500000000, 0.0000061400000000 ] - [ -0.0002815200000000, -0.0000224000000000, 0.0000827300000000 ] - [ 0.0004726800000000, -0.0001315100000000, -0.0001879700000000 ] - [ -0.0003840600000000, 0.0003375400000000, -0.0001855900000000 ] - [ 0.0000099900000000, -0.0001950200000000, 0.0001386200000000 ] - [ -0.0009931000000000, 0.0004243800000000, -0.0004472100000000 ] - [ -0.0000352800000000, 0.0001177100000000, 0.0000363100000000 ] - [ -0.0002444200000000, -0.0001251800000000, -0.0001234400000000 ] - [ -0.0002780000000000, -0.0000385800000000, -0.0000810200000000 ] - [ 0.0003501500000000, -0.0000928900000000, -0.0003110200000000 ] - [ 0.0198217700000000, -0.0029713800000000, 0.0117706600000000 ] - [ -0.0004072900000000, -0.0003877100000000, -0.0001745600000000 ] - [ -0.0001337100000000, -0.0001089900000000, 0.0002394500000000 ] - [ 0.0003120600000000, -0.0000625400000000, 0.0004022600000000 ] - [ -0.0001860600000000, 0.0000563000000000, 0.0003210600000000 ] - [ 0.0003720200000000, -0.0005638900000000, 0.0000533600000000 ] - [ 0.0004136600000000, 0.0000554300000000, -0.0000485300000000 ] - [ -0.0002283600000000, -0.0000265900000000, -0.0000003800000000 ] - [ 0.0001049800000000, 0.0001700500000000, 0.0002053000000000 ] - [ -0.0000922900000000, 0.0000186300000000, 0.0000858500000000 ] - [ -0.0108654900000000, 0.0137040900000000, 0.0000031000000000 ] - [ 0.0003510400000000, -0.0021464100000000, 0.0018418200000000 ] - [ -0.0005664100000000, -0.0000777500000000, 0.0004663500000000 ] - [ -0.0003165000000000, -0.0000097800000000, 0.0000701600000000 ] - [ -0.0002511900000000, 0.0010169900000000, 0.0238983400000000 ] - [ 0.0000228900000000, 0.0002827300000000, -0.0000084200000000 ] - [ 0.0002990800000000, 0.0012665800000000, -0.0001038300000000 ] - [ -0.0000291400000000, 0.0001532400000000, 0.0000639900000000 ] - [ -0.0001013700000000, -0.0003590100000000, 0.0000801600000000 ] - [ 0.0000687500000000, -0.0001473300000000, -0.0000312700000000 ] - [ -0.0003066400000000, 0.0000123500000000, -0.0000540400000000 ]- atom: 60 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000022200000000, -0.0000797200000000, -0.0000034200000000 ] - [ -0.0000167300000000, -0.0002175800000000, -0.0000148100000000 ] - [ 0.0013293500000000, 0.0009691800000000, 0.0005371400000000 ] - [ 0.0008417100000000, -0.0007152700000000, 0.0097354800000000 ] - [ -0.0000978500000000, 0.0003030000000000, -0.0002939100000000 ] - [ 0.0001220800000000, 0.0001262700000000, -0.0000626100000000 ] - [ -0.0000806500000000, 0.0000578600000000, -0.0001266800000000 ] - [ -0.0000767400000000, -0.0000749000000000, -0.0001255500000000 ] - [ 0.0257135800000000, -0.0427437000000000, -0.0576486900000000 ] - [ -0.0002062400000000, -0.0000489100000000, -0.0000870100000000 ] - [ -0.0215908900000000, 0.0438748000000000, -0.0519861800000000 ] - [ -0.0001405200000000, 0.0000554900000000, 0.0001079800000000 ] - [ -0.0001399100000000, -0.0000528200000000, 0.0001076500000000 ] - [ -0.0002074100000000, 0.0000626500000000, -0.0000881100000000 ] - [ -0.0000359900000000, -0.0001703300000000, 0.0005156500000000 ] - [ 0.0003514300000000, -0.0002969000000000, -0.0005615700000000 ] - [ 0.0000704100000000, -0.0002331700000000, 0.0000318400000000 ] - [ -0.0021807700000000, -0.0068168600000000, 0.0082469000000000 ] - [ 0.0034616200000000, 0.0022764200000000, -0.0038375000000000 ] - [ -0.0005854000000000, 0.0055493500000000, 0.0071993400000000 ] - [ 0.0003858100000000, -0.0001329600000000, -0.0000464500000000 ] - [ 0.0001074000000000, 0.0002362300000000, -0.0000196400000000 ] - [ -0.0001663900000000, -0.0000575500000000, -0.0001412900000000 ] - [ -0.0001285000000000, -0.0000396200000000, 0.0000608700000000 ] - [ 0.0000707000000000, 0.0002189700000000, 0.0000428000000000 ] - [ 0.0000570900000000, -0.0002290600000000, 0.0000326900000000 ] - [ 0.0003234400000000, -0.0000758900000000, -0.0001469100000000 ] - [ -0.0002721100000000, -0.0001065300000000, -0.0002302500000000 ] - [ -0.0001937300000000, -0.0001097800000000, 0.0001597400000000 ] - [ -0.0001712600000000, 0.0001256600000000, -0.0001578100000000 ] - [ 0.0002831100000000, -0.0000094800000000, -0.0000597400000000 ] - [ -0.0003933900000000, 0.0006486800000000, 0.0005021300000000 ] - [ 0.0001521000000000, 0.0000494700000000, 0.0006131800000000 ] - [ 0.0002096100000000, -0.0000440600000000, -0.0003936100000000 ] - [ 0.0003619500000000, -0.0001667100000000, 0.0007881200000000 ] - [ 0.0093106700000000, -0.0006151800000000, -0.0278399500000000 ] - [ -0.0002015600000000, -0.0001919300000000, -0.0000527800000000 ] - [ -0.0004831100000000, -0.0000542000000000, -0.0019239200000000 ] - [ -0.0002554200000000, -0.0001387200000000, -0.0000996000000000 ] - [ 0.0003284200000000, -0.0003466000000000, 0.0001206100000000 ] - [ -0.0000904000000000, 0.0000002000000000, 0.0000403900000000 ] - [ -0.0001026800000000, 0.0002748100000000, 0.0003430600000000 ] - [ -0.0005255600000000, 0.0000975000000000, -0.0004303700000000 ] - [ -0.0005833500000000, -0.0011469600000000, -0.0024689500000000 ] - [ -0.0001977300000000, 0.0000434600000000, 0.0000570400000000 ] - [ 0.0000862900000000, -0.0005158300000000, -0.0000560200000000 ] - [ -0.0001749700000000, 0.0000968600000000, 0.0001535200000000 ] - [ -0.0003104800000000, 0.0001233700000000, -0.0001183100000000 ] - [ -0.0002437600000000, 0.0001233800000000, -0.0001233300000000 ] - [ -0.0001376300000000, 0.0001080400000000, 0.0002388300000000 ] - [ -0.0003006800000000, 0.0001176100000000, -0.0000773300000000 ] - [ 0.0003571100000000, 0.0000434800000000, 0.0001836500000000 ] - [ 0.0001151800000000, 0.0000795400000000, -0.0001556800000000 ] - [ -0.0001291600000000, 0.0001636900000000, -0.0000609800000000 ] - [ -0.0000247800000000, -0.0001301100000000, 0.0000348400000000 ] - [ -0.0001029200000000, 0.0002692900000000, 0.0000066900000000 ] - [ -0.0004779000000000, -0.0000863200000000, 0.0001404300000000 ] - [ -0.0001281300000000, -0.0009949600000000, -0.0169076700000000 ] - [ -0.0002176600000000, 0.0000137400000000, -0.0000022500000000 ] - [ -0.0119299000000000, 0.0069823600000000, 0.1716385700000000 ] - [ 0.0000864300000000, 0.0001174100000000, -0.0001174700000000 ] - [ -0.0000723600000000, 0.0012554600000000, -0.0002444600000000 ] - [ 0.0001130400000000, -0.0000091900000000, -0.0000728900000000 ] - [ 0.0003539600000000, 0.0000375400000000, 0.0000871800000000 ] - [ -0.0001199700000000, 0.0003291500000000, 0.0000842700000000 ] - [ -0.0002048800000000, -0.0000179100000000, 0.0003193500000000 ] - [ -0.0003165900000000, -0.0000382300000000, -0.0000854500000000 ] - [ -0.0001100400000000, -0.0000318300000000, 0.0000847500000000 ] - [ 0.0001477600000000, -0.0016669100000000, -0.0001393800000000 ] - [ -0.0006385800000000, -0.0005565000000000, 0.0001454200000000 ] - [ -0.0000372400000000, -0.0001813700000000, -0.0000784800000000 ] - [ -0.0010759300000000, 0.0007489400000000, 0.0011827600000000 ] - [ 0.0079440600000000, 0.0030928500000000, 0.0004899800000000 ] - [ -0.0000160800000000, -0.0000937300000000, 0.0000655600000000 ] - [ -0.0002935300000000, 0.0000041000000000, 0.0000422900000000 ] - [ 0.0001242400000000, 0.0002603100000000, 0.0000198700000000 ] - [ -0.0003657700000000, 0.0003888700000000, -0.0001884500000000 ] - [ 0.0001706700000000, 0.0002478400000000, 0.0000291800000000 ] - [ 0.0017204700000000, 0.0003041700000000, 0.0000688000000000 ] - [ -0.0000370300000000, 0.0001313800000000, 0.0000368900000000 ] - [ -0.0002555700000000, -0.0001065300000000, -0.0001259500000000 ] - [ -0.0002331200000000, -0.0000629600000000, -0.0000179700000000 ] - [ -0.0002283600000000, 0.0001630600000000, 0.0001045200000000 ] - [ -0.0193882900000000, 0.0027574100000000, -0.0112828400000000 ] - [ -0.0003400800000000, -0.0003390000000000, -0.0001991700000000 ] - [ -0.0001533900000000, -0.0000943300000000, 0.0002386200000000 ] - [ 0.0000507500000000, 0.0001340800000000, 0.0002347800000000 ] - [ -0.0001846000000000, 0.0000210900000000, 0.0003119900000000 ] - [ -0.0001819200000000, -0.0001552500000000, 0.0001132900000000 ] - [ 0.0000947300000000, 0.0000479700000000, -0.0000495600000000 ] - [ -0.0001892300000000, -0.0000263400000000, -0.0000004200000000 ] - [ 0.0004731100000000, -0.0001464200000000, -0.0000732300000000 ] - [ -0.0001023800000000, 0.0000351200000000, 0.0000827100000000 ] - [ 0.0113656200000000, -0.0139601600000000, -0.0001222900000000 ] - [ -0.0003027500000000, 0.0024052800000000, -0.0017597600000000 ] - [ 0.0010484500000000, 0.0003124900000000, -0.0007084600000000 ] - [ -0.0002564100000000, 0.0000281200000000, 0.0000554300000000 ] - [ 0.0005477200000000, -0.0000517600000000, -0.0237498700000000 ] - [ 0.0000946600000000, -0.0001163900000000, -0.0000420000000000 ] - [ 0.0003040400000000, -0.0014223200000000, -0.0000596200000000 ] - [ -0.0000108600000000, 0.0001031000000000, 0.0000070100000000 ] - [ -0.0001023700000000, -0.0003594000000000, 0.0000860700000000 ] - [ 0.0000461400000000, -0.0000267100000000, -0.0000180100000000 ] - [ -0.0002075100000000, 0.0000887500000000, -0.0000452200000000 ]- atom: 61 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000034200000000, 0.0004063200000000, 0.0000051400000000 ] - [ -0.0075512600000000, -0.0013793300000000, -0.0004741700000000 ] - [ 0.0005070800000000, -0.0007476300000000, -0.0001470500000000 ] - [ -0.0017827900000000, 0.0024288000000000, 0.0001279500000000 ] - [ 0.0000381900000000, 0.0006395300000000, -0.0000284300000000 ] - [ -0.0039630200000000, -0.0053607200000000, -0.0042469800000000 ] - [ -0.0015445400000000, 0.0010267300000000, -0.0000502800000000 ] - [ 0.0004511600000000, -0.0001718500000000, -0.0001341900000000 ] - [ -0.0001918200000000, 0.0007227200000000, 0.0000760900000000 ] - [ -0.0005913200000000, 0.0004426500000000, -0.0002307200000000 ] - [ -0.0002790200000000, 0.0006977000000000, -0.0000650600000000 ] - [ 0.0007981500000000, -0.0016586300000000, -0.0013161200000000 ] - [ -0.0005531200000000, 0.0004474800000000, 0.0002596400000000 ] - [ 0.0003336600000000, -0.0008060900000000, 0.0011108200000000 ] - [ -0.0015500100000000, -0.0046361200000000, 0.0033693000000000 ] - [ -0.0020461600000000, -0.0056618000000000, -0.0039117000000000 ] - [ 0.0007332000000000, 0.0004615400000000, -0.0000894900000000 ] - [ 0.0093832900000000, 0.0036084200000000, 0.0024080700000000 ] - [ -0.0013852500000000, 0.0040431900000000, -0.0034510700000000 ] - [ 0.0004274100000000, 0.0012446600000000, 0.0001865100000000 ] - [ -0.0049832600000000, 0.0008458200000000, 0.0004509700000000 ] - [ -0.0041631100000000, -0.0024864800000000, 0.0002143600000000 ] - [ -0.0004101200000000, 0.0005322500000000, -0.0000190200000000 ] - [ -0.0047353600000000, 0.0073686900000000, -0.0040171700000000 ] - [ -0.0005506700000000, -0.0000271900000000, 0.0001198300000000 ] - [ 0.0038199400000000, 0.0025704100000000, 0.0005427700000000 ] - [ 0.0004334400000000, 0.0005978200000000, -0.0000864300000000 ] - [ -0.0110005500000000, 0.0032862100000000, 0.0043103900000000 ] - [ -0.0002548600000000, 0.0019731900000000, -0.0005113400000000 ] - [ -0.0001854600000000, 0.0004043100000000, -0.0001652900000000 ] - [ -0.0064227200000000, -0.0032390400000000, -0.0003868400000000 ] - [ 0.0000162800000000, -0.0002358000000000, 0.0000264300000000 ] - [ -0.0002846700000000, 0.0005661700000000, -0.0000904500000000 ] - [ 0.0001360000000000, 0.0001110400000000, -0.0002044200000000 ] - [ 0.0743749500000000, -0.0393792200000000, -0.0336593300000000 ] - [ 0.0006333200000000, 0.0024259300000000, 0.0000954000000000 ] - [ -0.0128237800000000, -0.0022069900000000, -0.0014583400000000 ] - [ -0.0010512300000000, -0.0002026800000000, 0.0001130900000000 ] - [ -0.0021382100000000, -0.0010637600000000, -0.0000792900000000 ] - [ -0.0030422300000000, 0.0002107000000000, 0.0005584300000000 ] - [ 0.0000485600000000, 0.0000338300000000, 0.0000962700000000 ] - [ -0.0001340400000000, 0.0007114300000000, 0.0000091400000000 ] - [ 0.0542303300000000, -0.0022435800000000, -0.0314995400000000 ] - [ 0.0007312700000000, 0.0009522900000000, -0.0000463900000000 ] - [ 0.0517020800000000, -0.0265714800000000, 0.0143358800000000 ] - [ -0.0037085700000000, 0.0012455700000000, -0.0005871900000000 ] - [ -0.0007511700000000, -0.0000539600000000, 0.0000434300000000 ] - [ -0.0002526900000000, 0.0012855800000000, -0.0001063700000000 ] - [ -0.0007939500000000, -0.0040761000000000, 0.0001213300000000 ] - [ -0.0006668300000000, -0.0012168200000000, 0.0003272700000000 ] - [ -0.0006680100000000, -0.0006493900000000, -0.0000815600000000 ] - [ 0.0019100100000000, -0.0000687600000000, 0.0005026900000000 ] - [ 0.0260413800000000, -0.0011757400000000, -0.0062875700000000 ] - [ 0.0057428500000000, 0.0018354200000000, -0.0023343800000000 ] - [ -0.0026116000000000, 0.0001658600000000, -0.0003849900000000 ] - [ -0.0001455200000000, -0.0006731400000000, -0.0000178800000000 ] - [ 0.0004736200000000, -0.0001548200000000, 0.0000348800000000 ] - [ 0.0009060400000000, -0.0006951400000000, 0.0000357600000000 ] - [ -0.0001515100000000, -0.0000758200000000, -0.0000195500000000 ] - [ 0.0004834100000000, -0.0012398600000000, 0.0000561400000000 ] - [ -0.1981296800000000, 0.0856528300000000, 0.0778798400000000 ] - [ 0.0000226300000000, -0.0126426100000000, -0.0009302200000000 ] - [ 0.0016683000000000, -0.0061842900000000, -0.0025872100000000 ] - [ 0.0070838100000000, 0.0159268300000000, -0.0141647600000000 ] - [ 0.0001231200000000, 0.0032107100000000, 0.0001547700000000 ] - [ 0.0011949900000000, 0.0002119800000000, -0.0001060200000000 ] - [ 0.0020881300000000, 0.0009653300000000, 0.0003039900000000 ] - [ 0.0005477300000000, 0.0009189900000000, 0.0001060800000000 ] - [ -0.0035664300000000, -0.0053562200000000, 0.0054190400000000 ] - [ 0.0028251800000000, -0.0019539700000000, 0.0001527800000000 ] - [ 0.0000224300000000, -0.0004078800000000, 0.0000214100000000 ] - [ 0.0005187000000000, -0.0006216200000000, 0.0000408200000000 ] - [ -0.0005851200000000, -0.0010005100000000, 0.0003775700000000 ] - [ 0.0003994400000000, -0.0007498200000000, 0.0000322900000000 ] - [ -0.0002515700000000, -0.0002238800000000, 0.0000237100000000 ] - [ 0.0052553400000000, -0.0020704400000000, 0.0001679800000000 ] - [ 0.0057215600000000, -0.0001323500000000, 0.0004265200000000 ] - [ 0.0032324300000000, 0.0035317300000000, 0.0003740200000000 ] - [ 0.0000102600000000, 0.0004720400000000, -0.0001377900000000 ] - [ 0.0005713800000000, -0.0001236000000000, 0.0000122200000000 ] - [ -0.0000620200000000, 0.0000805700000000, 0.0000270400000000 ] - [ -0.0003561600000000, -0.0003307500000000, -0.0000610900000000 ] - [ 0.0001697000000000, -0.0003040900000000, -0.0002209800000000 ] - [ -0.0013694100000000, -0.0022555000000000, -0.0002625900000000 ] - [ -0.0007233500000000, -0.0004993300000000, -0.0001827600000000 ] - [ 0.0005252300000000, 0.0003614400000000, 0.0002722900000000 ] - [ 0.0029955400000000, -0.0012906500000000, 0.0008116700000000 ] - [ -0.0007847400000000, -0.0010594400000000, 0.0003149600000000 ] - [ 0.0041992600000000, 0.0019224400000000, -0.0005158600000000 ] - [ 0.0001858800000000, -0.0001847200000000, -0.0000482300000000 ] - [ 0.0004407000000000, -0.0035888100000000, -0.0006406400000000 ] - [ 0.0004043000000000, -0.0001531500000000, 0.0001009300000000 ] - [ 0.0005329100000000, -0.0009111600000000, 0.0002568000000000 ] - [ -0.0014677600000000, -0.0028633000000000, 0.0001299800000000 ] - [ -0.0038770700000000, 0.0030536100000000, -0.0005880800000000 ] - [ 0.0010917200000000, 0.0003674400000000, -0.0006455200000000 ] - [ 0.0127721900000000, -0.0190682200000000, 0.0035568500000000 ] - [ 0.0001835600000000, -0.0003098400000000, 0.0000732400000000 ] - [ -0.0000019700000000, -0.0005709300000000, -0.0000413900000000 ] - [ -0.0002390700000000, -0.0009408200000000, -0.0000869100000000 ] - [ -0.0063868700000000, 0.0107862900000000, -0.0037736000000000 ] - [ 0.0000860800000000, -0.0009142800000000, 0.0000801000000000 ] - [ 0.0047853700000000, 0.0030488100000000, 0.0007217600000000 ] - [ 0.0071595700000000, 0.0010668500000000, -0.0001943400000000 ]- atom: 61 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000028400000000, -0.0005374900000000, -0.0000253100000000 ] - [ 0.0075256900000000, 0.0012524700000000, 0.0004425700000000 ] - [ -0.0003489600000000, 0.0008952900000000, -0.0001046700000000 ] - [ 0.0019432800000000, -0.0025869900000000, -0.0003810600000000 ] - [ -0.0000381900000000, -0.0005132500000000, 0.0000087800000000 ] - [ 0.0038827000000000, 0.0055148900000000, 0.0042188800000000 ] - [ 0.0013860700000000, -0.0008776500000000, -0.0002013800000000 ] - [ -0.0006110100000000, 0.0000195300000000, -0.0001166200000000 ] - [ 0.0006135600000000, -0.0006297800000000, -0.0002428000000000 ] - [ 0.0001695300000000, -0.0005387000000000, 0.0000639300000000 ] - [ 0.0005724800000000, -0.0006078500000000, 0.0002702900000000 ] - [ -0.0011096400000000, 0.0017258600000000, 0.0014996400000000 ] - [ 0.0002593900000000, -0.0005403200000000, -0.0000543700000000 ] - [ -0.0007743700000000, 0.0008825300000000, -0.0012584500000000 ] - [ 0.0018486500000000, 0.0045726600000000, -0.0031944500000000 ] - [ 0.0024744500000000, 0.0055732800000000, 0.0037592900000000 ] - [ -0.0005221200000000, -0.0010165700000000, 0.0000397600000000 ] - [ -0.0095442600000000, -0.0031544600000000, -0.0023426800000000 ] - [ 0.0015728300000000, -0.0039703600000000, 0.0035814000000000 ] - [ 0.0001689000000000, -0.0015033800000000, -0.0003909500000000 ] - [ 0.0055963800000000, -0.0005976300000000, -0.0006587300000000 ] - [ 0.0043794900000000, 0.0030576600000000, -0.0002650300000000 ] - [ 0.0001719600000000, -0.0005166400000000, -0.0000612900000000 ] - [ 0.0045366400000000, -0.0074309700000000, 0.0041131500000000 ] - [ 0.0006924900000000, 0.0004743900000000, -0.0000468500000000 ] - [ -0.0036616300000000, -0.0030203500000000, -0.0004653700000000 ] - [ 0.0001456300000000, -0.0007127300000000, -0.0000253100000000 ] - [ 0.0106403300000000, -0.0035072600000000, -0.0046620900000000 ] - [ -0.0001327200000000, -0.0021862800000000, 0.0008118000000000 ] - [ -0.0002073600000000, -0.0002016800000000, -0.0002136900000000 ] - [ 0.0070196200000000, 0.0033692800000000, 0.0002789800000000 ] - [ 0.0001943100000000, 0.0001832300000000, 0.0000779400000000 ] - [ 0.0005221300000000, -0.0005874300000000, 0.0000107700000000 ] - [ 0.0002565400000000, -0.0003188400000000, -0.0001743100000000 ] - [ -0.0767296800000000, 0.0423347400000000, 0.0357518900000000 ] - [ -0.0002474300000000, -0.0022179500000000, 0.0002099600000000 ] - [ 0.0122646500000000, 0.0020911600000000, 0.0013530300000000 ] - [ 0.0009090400000000, -0.0002488100000000, -0.0000400000000000 ] - [ 0.0015288900000000, 0.0008150600000000, -0.0001248400000000 ] - [ 0.0034436400000000, -0.0004268600000000, -0.0002563700000000 ] - [ -0.0002586900000000, 0.0000136000000000, 0.0000078400000000 ] - [ -0.0004452200000000, -0.0006017400000000, -0.0001210400000000 ] - [ -0.0540489900000000, 0.0025586100000000, 0.0304388400000000 ] - [ -0.0009434100000000, -0.0004021700000000, -0.0000029200000000 ] - [ -0.0521548600000000, 0.0258936900000000, -0.0139316900000000 ] - [ 0.0034978600000000, -0.0018156800000000, 0.0005424500000000 ] - [ 0.0003484700000000, 0.0002671100000000, 0.0002573900000000 ] - [ -0.0003441200000000, -0.0010324600000000, -0.0000965800000000 ] - [ 0.0002870000000000, 0.0042947300000000, -0.0003721700000000 ] - [ 0.0003761400000000, 0.0014223200000000, 0.0001523200000000 ] - [ 0.0000670900000000, 0.0007937800000000, -0.0000833200000000 ] - [ -0.0016266800000000, 0.0002761800000000, -0.0000248400000000 ] - [ -0.0258821500000000, 0.0011440500000000, 0.0063372500000000 ] - [ -0.0058882500000000, -0.0016689100000000, 0.0023037400000000 ] - [ 0.0025372700000000, -0.0004031400000000, 0.0004532800000000 ] - [ 0.0000296300000000, 0.0005065400000000, -0.0000318000000000 ] - [ -0.0000574500000000, 0.0001034200000000, -0.0000350800000000 ] - [ -0.0008382100000000, 0.0004474600000000, 0.0000376200000000 ] - [ -0.0002655700000000, 0.0001314700000000, 0.0000195600000000 ] - [ -0.0002837100000000, 0.0011886100000000, 0.0001117900000000 ] - [ 0.2015842100000000, -0.0882489400000000, -0.0800760400000000 ] - [ 0.0004159600000000, 0.0128122100000000, 0.0009658300000000 ] - [ -0.0018830200000000, 0.0062291000000000, 0.0023363600000000 ] - [ -0.0070383000000000, -0.0160669900000000, 0.0141457900000000 ] - [ -0.0003100800000000, -0.0025039000000000, 0.0000114400000000 ] - [ -0.0015594200000000, -0.0002970500000000, 0.0007382900000000 ] - [ -0.0026890700000000, -0.0011186400000000, -0.0004678700000000 ] - [ -0.0007318000000000, -0.0009580700000000, 0.0000633700000000 ] - [ 0.0042324800000000, 0.0053365100000000, -0.0052505000000000 ] - [ -0.0020567100000000, 0.0012354900000000, -0.0005256700000000 ] - [ -0.0001389500000000, 0.0003384600000000, -0.0002230500000000 ] - [ -0.0004837900000000, 0.0008804700000000, 0.0000297100000000 ] - [ 0.0009569000000000, 0.0009235600000000, 0.0002548300000000 ] - [ -0.0004360500000000, 0.0004949100000000, 0.0000382700000000 ] - [ -0.0003207400000000, 0.0002068400000000, 0.0001024500000000 ] - [ -0.0046773800000000, 0.0022305400000000, -0.0003397100000000 ] - [ -0.0064730800000000, 0.0008528500000000, -0.0007977600000000 ] - [ -0.0030403400000000, -0.0034832200000000, -0.0002050400000000 ] - [ 0.0007384900000000, 0.0002563600000000, -0.0002352300000000 ] - [ -0.0006396800000000, 0.0003744500000000, 0.0000610000000000 ] - [ -0.0004356500000000, -0.0003088300000000, -0.0002746700000000 ] - [ -0.0001553000000000, 0.0002345900000000, -0.0000386200000000 ] - [ -0.0000527700000000, 0.0003777000000000, 0.0000199300000000 ] - [ 0.0016622600000000, 0.0020632700000000, 0.0007424000000000 ] - [ -0.0000268700000000, -0.0002261800000000, -0.0001907000000000 ] - [ -0.0008090200000000, -0.0005647300000000, 0.0002042400000000 ] - [ -0.0026312000000000, 0.0013765800000000, -0.0001795800000000 ] - [ 0.0004125700000000, 0.0011384100000000, 0.0003177000000000 ] - [ -0.0040042600000000, -0.0026375200000000, 0.0006854600000000 ] - [ 0.0003244100000000, 0.0002842500000000, -0.0000515100000000 ] - [ -0.0008666500000000, 0.0035378400000000, 0.0006392100000000 ] - [ 0.0001681000000000, 0.0001737300000000, 0.0000250200000000 ] - [ -0.0007337700000000, 0.0009660800000000, -0.0000874900000000 ] - [ 0.0019728700000000, 0.0026275500000000, -0.0003808700000000 ] - [ 0.0039477500000000, -0.0028040100000000, 0.0006575100000000 ] - [ -0.0005943600000000, -0.0001350500000000, 0.0003971900000000 ] - [ -0.0132385700000000, 0.0189006600000000, -0.0034299300000000 ] - [ 0.0000235000000000, 0.0010268200000000, 0.0000923500000000 ] - [ 0.0001158400000000, 0.0007422000000000, -0.0000084800000000 ] - [ 0.0008401700000000, 0.0008016800000000, -0.0000774700000000 ] - [ 0.0064097400000000, -0.0104914100000000, 0.0037638600000000 ] - [ -0.0002942000000000, 0.0002011700000000, 0.0000853300000000 ] - [ -0.0046882400000000, -0.0032360300000000, -0.0007757100000000 ] - [ -0.0076968500000000, -0.0009730200000000, 0.0000902500000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000071100000000, -0.0023116900000000, -0.0000966200000000 ] - [ 0.0019217700000000, 0.0067762300000000, 0.0001312900000000 ] - [ -0.0009795300000000, -0.0018588800000000, -0.0002220600000000 ] - [ 0.0032142500000000, -0.0013082900000000, -0.0006014700000000 ] - [ 0.0000738300000000, -0.0024039100000000, 0.0000850500000000 ] - [ -0.0019490400000000, 0.0103664700000000, -0.0004800500000000 ] - [ 0.0006590400000000, -0.0007826200000000, -0.0002742500000000 ] - [ -0.0005453600000000, -0.0029637700000000, -0.0000584800000000 ] - [ 0.0009410000000000, -0.0016577300000000, -0.0000807600000000 ] - [ 0.0000927900000000, -0.0015093500000000, -0.0002443100000000 ] - [ 0.0008772000000000, -0.0016138800000000, 0.0001138100000000 ] - [ -0.0045794800000000, -0.0051806900000000, -0.0048134500000000 ] - [ 0.0001540300000000, -0.0015106300000000, 0.0002476100000000 ] - [ -0.0046644600000000, -0.0038255900000000, 0.0041019900000000 ] - [ -0.0017130300000000, -0.0011375200000000, 0.0005160800000000 ] - [ -0.0031744000000000, -0.0013811700000000, -0.0007232000000000 ] - [ 0.0000511300000000, -0.0030895400000000, 0.0000252700000000 ] - [ -0.0069099700000000, -0.0077030200000000, -0.0041766900000000 ] - [ 0.0064434500000000, -0.0019505200000000, 0.0083998700000000 ] - [ 0.0005083300000000, -0.0040707800000000, -0.0007377400000000 ] - [ -0.0006268900000000, 0.0009234500000000, 0.0002607000000000 ] - [ 0.0021050900000000, 0.0041032400000000, -0.0002680500000000 ] - [ -0.0001307200000000, -0.0024870200000000, -0.0001297700000000 ] - [ 0.0041827900000000, -0.0050312600000000, 0.0028931800000000 ] - [ 0.0000263100000000, -0.0018705200000000, -0.0001682800000000 ] - [ 0.0024475000000000, -0.0037220300000000, -0.0007410600000000 ] - [ 0.0006639700000000, -0.0028348700000000, -0.0000611900000000 ] - [ 0.0075481500000000, 0.0014231400000000, -0.0044649600000000 ] - [ 0.0003790300000000, -0.0030782700000000, 0.0003839800000000 ] - [ -0.0002108100000000, -0.0023918300000000, -0.0002330300000000 ] - [ 0.0034696000000000, 0.0044950400000000, 0.0000159200000000 ] - [ -0.0001976300000000, -0.0018419300000000, 0.0001390300000000 ] - [ 0.0003539700000000, -0.0025795600000000, 0.0001175600000000 ] - [ 0.0000715600000000, -0.0022228600000000, -0.0001200000000000 ] - [ -0.0346099200000000, 0.0649025200000000, 0.0234749400000000 ] - [ 0.0005847300000000, -0.0044158400000000, 0.0009992300000000 ] - [ 0.0036717800000000, 0.0037675100000000, 0.0003290500000000 ] - [ 0.0006984700000000, -0.0014633500000000, 0.0002047000000000 ] - [ -0.0034116600000000, 0.0000386500000000, -0.0005589400000000 ] - [ -0.0011995700000000, -0.0011367800000000, 0.0004215900000000 ] - [ -0.0001973700000000, -0.0025590000000000, 0.0000344900000000 ] - [ -0.0001749800000000, -0.0028112800000000, -0.0001328900000000 ] - [ -0.0003907500000000, 0.0492801800000000, -0.0249431800000000 ] - [ -0.0008665200000000, -0.0026500100000000, 0.0000427200000000 ] - [ -0.0302412400000000, 0.0954206800000000, -0.0410171900000000 ] - [ 0.0034925800000000, 0.0035990400000000, -0.0001712400000000 ] - [ -0.0032326000000000, -0.0015405400000000, -0.0002530900000000 ] - [ -0.0002439700000000, -0.0027368900000000, -0.0000276000000000 ] - [ -0.0012537400000000, 0.0033707600000000, -0.0005373200000000 ] - [ -0.0007269400000000, 0.0029378000000000, 0.0004619600000000 ] - [ 0.0001550500000000, 0.0024420000000000, -0.0001766400000000 ] - [ 0.0002437400000000, 0.0005629400000000, 0.0004266900000000 ] - [ -0.0049500700000000, -0.0071622600000000, 0.0006624400000000 ] - [ -0.0025358900000000, -0.0043349400000000, 0.0007242200000000 ] - [ -0.0004175300000000, 0.0035920800000000, -0.0007411100000000 ] - [ -0.0004187800000000, 0.0025110300000000, -0.0000300200000000 ] - [ 0.0000844500000000, 0.0015939200000000, -0.0000454700000000 ] - [ -0.0005244100000000, 0.0012384200000000, -0.0000280500000000 ] - [ -0.0003086100000000, 0.0021109300000000, 0.0000280500000000 ] - [ -0.0013256800000000, 0.0021967300000000, -0.0000688400000000 ] - [ 0.0867011100000000, -0.2489585000000000, 0.0752628700000000 ] - [ -0.0129783200000000, 0.0239178900000000, 0.0001091200000000 ] - [ -0.0062673100000000, -0.0059304400000000, 0.0034031200000000 ] - [ 0.0116397500000000, -0.0011009100000000, -0.0098115400000000 ] - [ 0.0041154000000000, -0.0004523900000000, 0.0002278500000000 ] - [ 0.0008118400000000, -0.0005980200000000, 0.0003326100000000 ] - [ -0.0001138800000000, -0.0024308000000000, -0.0002660300000000 ] - [ 0.0042870800000000, 0.0044065700000000, 0.0002245300000000 ] - [ -0.0054844000000000, -0.0033657100000000, -0.0088821200000000 ] - [ -0.0054293400000000, -0.0024854400000000, -0.0013815200000000 ] - [ 0.0003144900000000, 0.0019608400000000, -0.0004683300000000 ] - [ -0.0009793800000000, 0.0024586700000000, 0.0000274000000000 ] - [ 0.0010966800000000, 0.0024893000000000, 0.0002354300000000 ] - [ -0.0007113400000000, 0.0019718000000000, 0.0000323000000000 ] - [ 0.0000325100000000, 0.0018687300000000, 0.0002684200000000 ] - [ -0.0001064900000000, -0.0024686800000000, 0.0003805200000000 ] - [ -0.0048354200000000, -0.0000298500000000, -0.0006134800000000 ] - [ 0.0015491300000000, 0.0015391000000000, 0.0002119200000000 ] - [ 0.0006616600000000, 0.0018597700000000, -0.0000932400000000 ] - [ 0.0002391100000000, 0.0014622600000000, 0.0000795500000000 ] - [ 0.0003581400000000, 0.0021640900000000, 0.0003671900000000 ] - [ -0.0005715600000000, 0.0015002000000000, -0.0000118500000000 ] - [ 0.0003986700000000, 0.0019253400000000, 0.0002575900000000 ] - [ 0.0010113800000000, 0.0051379900000000, 0.0004555100000000 ] - [ -0.0005936200000000, 0.0015335700000000, -0.0003328800000000 ] - [ 0.0009691600000000, 0.0011462000000000, -0.0002134600000000 ] - [ -0.0001149700000000, -0.0005873800000000, 0.0002743200000000 ] - [ 0.0003683600000000, 0.0022763700000000, 0.0003509400000000 ] - [ 0.0025199200000000, -0.0025018500000000, -0.0006786600000000 ] - [ 0.0001626900000000, 0.0014696100000000, -0.0000821200000000 ] - [ -0.0020254500000000, 0.0009676000000000, 0.0003414800000000 ] - [ 0.0005529600000000, 0.0016186400000000, -0.0001323600000000 ] - [ -0.0010503900000000, 0.0016862500000000, 0.0000389100000000 ] - [ 0.0003519800000000, 0.0028778300000000, 0.0000661600000000 ] - [ 0.0033383800000000, 0.0020814500000000, 0.0006353800000000 ] - [ 0.0003725200000000, 0.0014073400000000, -0.0002005300000000 ] - [ -0.0131114000000000, 0.0095333000000000, -0.0013823000000000 ] - [ -0.0004160600000000, 0.0025683000000000, 0.0001140700000000 ] - [ -0.0004199400000000, 0.0027325400000000, -0.0000114800000000 ] - [ 0.0011626600000000, 0.0028087900000000, 0.0000105800000000 ] - [ 0.0074584500000000, 0.0249891300000000, -0.0169447700000000 ] - [ -0.0003660400000000, 0.0015146100000000, 0.0000870000000000 ] - [ -0.0022958000000000, -0.0042025100000000, -0.0005352300000000 ] - [ -0.0050140800000000, -0.0032837400000000, 0.0004327100000000 ]- atom: 61 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000080400000000, 0.0021861500000000, 0.0000768000000000 ] - [ -0.0019195400000000, -0.0069204900000000, -0.0001558500000000 ] - [ 0.0011366100000000, 0.0020115700000000, -0.0000299100000000 ] - [ -0.0030508600000000, 0.0011686900000000, 0.0003465900000000 ] - [ -0.0000734100000000, 0.0025355100000000, -0.0001048900000000 ] - [ 0.0019120600000000, -0.0102722400000000, 0.0004343500000000 ] - [ -0.0008202000000000, 0.0009278400000000, 0.0000230400000000 ] - [ 0.0003880700000000, 0.0028223000000000, -0.0001929700000000 ] - [ -0.0005177800000000, 0.0017544500000000, -0.0000868200000000 ] - [ -0.0005157100000000, 0.0014154200000000, 0.0000781300000000 ] - [ -0.0005822600000000, 0.0017078900000000, 0.0000921700000000 ] - [ 0.0043032400000000, 0.0052852400000000, 0.0050308700000000 ] - [ -0.0004487800000000, 0.0014197900000000, -0.0000429600000000 ] - [ 0.0042387300000000, 0.0039194600000000, -0.0042545100000000 ] - [ 0.0020147400000000, 0.0010596500000000, -0.0003344800000000 ] - [ 0.0036010000000000, 0.0013024100000000, 0.0005789900000000 ] - [ 0.0001621400000000, 0.0025403400000000, -0.0000745100000000 ] - [ 0.0067438400000000, 0.0081545400000000, 0.0042328600000000 ] - [ -0.0062469700000000, 0.0020390700000000, -0.0082569100000000 ] - [ 0.0000896900000000, 0.0038160600000000, 0.0005329500000000 ] - [ 0.0012287400000000, -0.0006629900000000, -0.0004635600000000 ] - [ -0.0018941000000000, -0.0035638000000000, 0.0002191000000000 ] - [ -0.0001052000000000, 0.0025077400000000, 0.0000497600000000 ] - [ -0.0044011300000000, 0.0049844000000000, -0.0028013800000000 ] - [ 0.0001186500000000, 0.0023203100000000, 0.0002425000000000 ] - [ -0.0023145200000000, 0.0032784200000000, 0.0008196200000000 ] - [ -0.0000836200000000, 0.0027264600000000, -0.0000501600000000 ] - [ -0.0079202400000000, -0.0016611600000000, 0.0041357600000000 ] - [ -0.0007721300000000, 0.0028699100000000, -0.0000826200000000 ] - [ -0.0001819400000000, 0.0026007400000000, -0.0001456500000000 ] - [ -0.0028957500000000, -0.0043982300000000, -0.0001294600000000 ] - [ 0.0004088900000000, 0.0017968800000000, -0.0000342500000000 ] - [ -0.0001164400000000, 0.0025654800000000, -0.0001976700000000 ] - [ 0.0003218700000000, 0.0020214900000000, -0.0002585700000000 ] - [ 0.0331287700000000, -0.0641638000000000, -0.0225596000000000 ] - [ -0.0001983900000000, 0.0046263500000000, -0.0006906600000000 ] - [ -0.0042887800000000, -0.0038917500000000, -0.0004474300000000 ] - [ -0.0008401400000000, 0.0010214500000000, -0.0001311300000000 ] - [ 0.0028217600000000, -0.0002989200000000, 0.0003575600000000 ] - [ 0.0015973800000000, 0.0009291300000000, -0.0001201500000000 ] - [ -0.0000127700000000, 0.0026136200000000, 0.0000702600000000 ] - [ -0.0004076300000000, 0.0029271000000000, 0.0000210900000000 ] - [ 0.0007618500000000, -0.0495810500000000, 0.0246243900000000 ] - [ 0.0006507800000000, 0.0032068600000000, -0.0000912500000000 ] - [ 0.0324517800000000, -0.0996710100000000, 0.0444766100000000 ] - [ -0.0037072200000000, -0.0041494000000000, 0.0001199100000000 ] - [ 0.0028490100000000, 0.0017548400000000, 0.0005563000000000 ] - [ -0.0003548700000000, 0.0029967800000000, -0.0001758500000000 ] - [ 0.0007557100000000, -0.0031480800000000, 0.0002884400000000 ] - [ 0.0004414100000000, -0.0027399900000000, 0.0000160900000000 ] - [ -0.0007559300000000, -0.0023037500000000, 0.0000122200000000 ] - [ 0.0000407100000000, -0.0003674700000000, 0.0000503200000000 ] - [ 0.0055120500000000, 0.0070487900000000, -0.0007738200000000 ] - [ 0.0024341800000000, 0.0045090400000000, -0.0007799600000000 ] - [ 0.0003506200000000, -0.0038555100000000, 0.0008187000000000 ] - [ 0.0003046600000000, -0.0026833500000000, -0.0000199300000000 ] - [ 0.0003335300000000, -0.0016528600000000, 0.0000454300000000 ] - [ 0.0005906100000000, -0.0014913300000000, 0.0001011000000000 ] - [ -0.0001094200000000, -0.0020598700000000, -0.0000279300000000 ] - [ 0.0015241400000000, -0.0022523300000000, 0.0002359400000000 ] - [ -0.0872176800000000, 0.2531737100000000, -0.0803886200000000 ] - [ 0.0132001200000000, -0.0235106000000000, -0.0000912100000000 ] - [ 0.0061451300000000, 0.0060684100000000, -0.0035995700000000 ] - [ -0.0115313900000000, 0.0007966000000000, 0.0098716700000000 ] - [ -0.0043388900000000, 0.0011768700000000, -0.0000571700000000 ] - [ -0.0011874700000000, 0.0005239800000000, 0.0003002600000000 ] - [ -0.0004876300000000, 0.0022980800000000, 0.0001021700000000 ] - [ -0.0044975900000000, -0.0044769500000000, -0.0000577900000000 ] - [ 0.0060428000000000, 0.0032538200000000, 0.0089964800000000 ] - [ 0.0061784400000000, 0.0017445500000000, 0.0010028400000000 ] - [ -0.0004321000000000, -0.0020352900000000, 0.0002672500000000 ] - [ 0.0010160800000000, -0.0022050000000000, 0.0000433100000000 ] - [ -0.0007258700000000, -0.0025703700000000, 0.0003971200000000 ] - [ 0.0006757300000000, -0.0022314800000000, 0.0000384100000000 ] - [ -0.0006060100000000, -0.0018908900000000, -0.0001428000000000 ] - [ 0.0007126500000000, 0.0026072000000000, -0.0005428300000000 ] - [ 0.0041053000000000, 0.0007572300000000, 0.0002438000000000 ] - [ -0.0013625800000000, -0.0014998500000000, -0.0000446900000000 ] - [ 0.0000890600000000, -0.0011359200000000, -0.0002803100000000 ] - [ -0.0003091300000000, -0.0012129900000000, -0.0000067400000000 ] - [ -0.0008612500000000, -0.0023983400000000, -0.0006184600000000 ] - [ 0.0000613300000000, -0.0016007100000000, -0.0000881000000000 ] - [ -0.0002830200000000, -0.0018570700000000, -0.0004596200000000 ] - [ -0.0007148000000000, -0.0053324200000000, 0.0000237800000000 ] - [ -0.0001553900000000, -0.0022650100000000, -0.0000404000000000 ] - [ -0.0012599300000000, -0.0013476000000000, 0.0006936300000000 ] - [ 0.0004836700000000, 0.0006619500000000, 0.0003590700000000 ] - [ -0.0007396700000000, -0.0022021800000000, 0.0002817600000000 ] - [ -0.0023173900000000, 0.0017861000000000, 0.0008420800000000 ] - [ 0.0003490200000000, -0.0013736600000000, -0.0000176500000000 ] - [ 0.0016103200000000, -0.0010118900000000, -0.0003425500000000 ] - [ 0.0000189400000000, -0.0016032200000000, 0.0002587900000000 ] - [ 0.0008534800000000, -0.0016329200000000, 0.0001301300000000 ] - [ 0.0001524900000000, -0.0031207400000000, -0.0003192700000000 ] - [ -0.0032586700000000, -0.0018348000000000, -0.0005572000000000 ] - [ 0.0001264400000000, -0.0011835300000000, -0.0000473600000000 ] - [ 0.0127117800000000, -0.0096242600000000, 0.0015292700000000 ] - [ 0.0006231500000000, -0.0018552100000000, 0.0000515100000000 ] - [ 0.0005356400000000, -0.0025678600000000, -0.0000386400000000 ] - [ -0.0005621100000000, -0.0029522800000000, -0.0001750700000000 ] - [ -0.0076029800000000, -0.0251036900000000, 0.0172848000000000 ] - [ 0.0001593600000000, -0.0022324700000000, 0.0000784600000000 ] - [ 0.0024177200000000, 0.0040459000000000, 0.0004853000000000 ] - [ 0.0045095300000000, 0.0033920300000000, -0.0005388700000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000113700000000, 0.0003349700000000, 0.0000070800000000 ] - [ 0.0004710800000000, -0.0008320900000000, -0.0000621400000000 ] - [ 0.0000346800000000, 0.0006807100000000, -0.0001009500000000 ] - [ 0.0000362600000000, -0.0004389100000000, -0.0001476900000000 ] - [ -0.0000201500000000, 0.0004824200000000, -0.0000277600000000 ] - [ -0.0047358100000000, -0.0021788000000000, -0.0018314900000000 ] - [ 0.0000553900000000, -0.0001190400000000, -0.0001020400000000 ] - [ -0.0001098700000000, 0.0006729700000000, -0.0001521100000000 ] - [ 0.0001967700000000, 0.0002578900000000, -0.0001470100000000 ] - [ -0.0001912100000000, 0.0001412400000000, -0.0000074100000000 ] - [ 0.0001393600000000, 0.0002522300000000, 0.0001657900000000 ] - [ 0.0016057000000000, 0.0007069500000000, 0.0042699500000000 ] - [ -0.0001159600000000, 0.0001448500000000, 0.0000271700000000 ] - [ 0.0014556700000000, 0.0007917500000000, -0.0039939100000000 ] - [ 0.0000349600000000, 0.0016307200000000, -0.0028645000000000 ] - [ 0.0007725100000000, 0.0018549100000000, 0.0031310000000000 ] - [ -0.0000783400000000, 0.0001937600000000, -0.0000236100000000 ] - [ -0.0001324300000000, 0.0002934700000000, 0.0001979200000000 ] - [ -0.0000418200000000, -0.0018490400000000, 0.0021213700000000 ] - [ 0.0002190300000000, 0.0003301400000000, -0.0000529700000000 ] - [ 0.0018602600000000, -0.0001431200000000, -0.0004167600000000 ] - [ 0.0007850700000000, -0.0001058500000000, -0.0001525100000000 ] - [ -0.0000167800000000, 0.0004515300000000, -0.0000277100000000 ] - [ -0.0006770000000000, -0.0011293800000000, 0.0006723300000000 ] - [ 0.0002904300000000, 0.0006479600000000, 0.0001723100000000 ] - [ -0.0015046900000000, -0.0001678300000000, 0.0000260400000000 ] - [ 0.0001625400000000, 0.0004184400000000, -0.0000423500000000 ] - [ -0.0004794400000000, -0.0008528300000000, 0.0013244700000000 ] - [ -0.0003923300000000, 0.0000792000000000, 0.0002561000000000 ] - [ -0.0001819500000000, 0.0006028100000000, -0.0001765900000000 ] - [ 0.0008977200000000, -0.0005440800000000, 0.0000801400000000 ] - [ 0.0001514200000000, 0.0005767000000000, 0.0000590500000000 ] - [ 0.0002002700000000, 0.0004383800000000, -0.0000588500000000 ] - [ 0.0002214200000000, 0.0003644800000000, -0.0002039700000000 ] - [ -0.0297295900000000, 0.0164104800000000, 0.0451438100000000 ] - [ -0.0000016100000000, 0.0004283900000000, 0.0000199100000000 ] - [ 0.0014048900000000, 0.0002863100000000, -0.0007270800000000 ] - [ 0.0000731200000000, 0.0001677100000000, -0.0000639500000000 ] - [ 0.0005666500000000, -0.0003739900000000, -0.0000172900000000 ] - [ 0.0016740500000000, 0.0000954900000000, -0.0000404800000000 ] - [ -0.0000836700000000, 0.0006774600000000, 0.0000318800000000 ] - [ -0.0003814800000000, 0.0005346100000000, -0.0000629500000000 ] - [ -0.0338458400000000, -0.0247643200000000, 0.0819057600000000 ] - [ -0.0002115200000000, 0.0007500400000000, -0.0000299700000000 ] - [ 0.0072229200000000, -0.0443615200000000, 0.0529629700000000 ] - [ 0.0004259400000000, -0.0007436100000000, 0.0003045400000000 ] - [ 0.0012807300000000, 0.0003223400000000, 0.0003218500000000 ] - [ -0.0003468700000000, 0.0004956400000000, -0.0001134600000000 ] - [ 0.0003128700000000, 0.0004943800000000, -0.0001367200000000 ] - [ 0.0001420500000000, -0.0002157300000000, 0.0001921600000000 ] - [ -0.0002999800000000, -0.0002920700000000, -0.0000574900000000 ] - [ -0.0004127200000000, -0.0000046100000000, 0.0000666300000000 ] - [ -0.0061101000000000, 0.0013945500000000, -0.0004949600000000 ] - [ -0.0000574700000000, 0.0001562600000000, 0.0002744400000000 ] - [ 0.0005641600000000, -0.0007962600000000, 0.0001475200000000 ] - [ 0.0000660100000000, -0.0005314500000000, -0.0000261100000000 ] - [ 0.0002029000000000, -0.0004246000000000, -0.0000085400000000 ] - [ -0.0001471800000000, -0.0003136200000000, 0.0000598800000000 ] - [ -0.0002225700000000, -0.0004111400000000, 0.0000006300000000 ] - [ 0.0002485400000000, -0.0001842600000000, 0.0001023300000000 ] - [ 0.0775768400000000, 0.0770136900000000, -0.2640956400000000 ] - [ 0.0012844600000000, -0.0024502100000000, 0.0003597100000000 ] - [ 0.0025694500000000, -0.0035553900000000, 0.0292725700000000 ] - [ -0.0080494600000000, -0.0070232600000000, 0.0070851100000000 ] - [ -0.0010186700000000, 0.0009533700000000, 0.0000288700000000 ] - [ -0.0009281400000000, 0.0002675700000000, 0.0003287300000000 ] - [ -0.0008044500000000, 0.0004258400000000, -0.0001166300000000 ] - [ -0.0027285100000000, -0.0021691700000000, 0.0000649500000000 ] - [ -0.0019208000000000, 0.0027879200000000, 0.0442150400000000 ] - [ -0.0000125500000000, 0.0002232800000000, -0.0004593500000000 ] - [ -0.0001795400000000, -0.0004041000000000, -0.0000503200000000 ] - [ 0.0000914600000000, -0.0002028600000000, 0.0000351700000000 ] - [ 0.0001758800000000, -0.0003425600000000, 0.0003292800000000 ] - [ 0.0000196200000000, -0.0004386400000000, 0.0000366300000000 ] - [ -0.0003833700000000, -0.0004010200000000, 0.0000257100000000 ] - [ -0.0012667900000000, 0.0012187800000000, -0.0002363600000000 ] - [ -0.0010478400000000, 0.0008222200000000, -0.0003329800000000 ] - [ -0.0014291600000000, -0.0021470700000000, -0.0001242600000000 ] - [ 0.0004747000000000, -0.0000526500000000, -0.0002060300000000 ] - [ -0.0002810200000000, -0.0000662700000000, 0.0000026700000000 ] - [ -0.0006226000000000, -0.0007628400000000, -0.0004189900000000 ] - [ -0.0001635800000000, -0.0003374700000000, -0.0000575100000000 ] - [ -0.0000628600000000, -0.0003211400000000, -0.0001492100000000 ] - [ 0.0001949600000000, -0.0006790600000000, 0.0002341400000000 ] - [ -0.0002282800000000, -0.0008050900000000, -0.0001557000000000 ] - [ -0.0006618700000000, -0.0002258300000000, 0.0005331800000000 ] - [ -0.0006573700000000, 0.0003775000000000, 0.0001849300000000 ] - [ -0.0001285300000000, -0.0001918700000000, 0.0003094000000000 ] - [ -0.0013462400000000, -0.0006243000000000, 0.0005470400000000 ] - [ 0.0003225200000000, -0.0002181500000000, -0.0000416400000000 ] - [ 0.0003540100000000, 0.0006083700000000, 0.0000902900000000 ] - [ 0.0001890000000000, -0.0003554800000000, 0.0000984100000000 ] - [ 0.0000005700000000, -0.0000847400000000, 0.0000566700000000 ] - [ 0.0005499800000000, -0.0002424500000000, -0.0002916300000000 ] - [ 0.0007884500000000, -0.0000836600000000, 0.0001324600000000 ] - [ -0.0000698300000000, -0.0004111000000000, 0.0001319000000000 ] - [ -0.0022218400000000, 0.0040745800000000, 0.0003424700000000 ] - [ 0.0001573000000000, 0.0000495700000000, 0.0000844200000000 ] - [ 0.0001930400000000, -0.0003587100000000, -0.0000242700000000 ] - [ 0.0002584300000000, -0.0004831400000000, -0.0001101500000000 ] - [ -0.0010373800000000, -0.0164471900000000, 0.0011285900000000 ] - [ -0.0000637200000000, -0.0006462900000000, 0.0000824900000000 ] - [ -0.0004844400000000, 0.0001413700000000, -0.0002068000000000 ] - [ -0.0006374400000000, 0.0007836700000000, -0.0003371100000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000108700000000, -0.0004661500000000, -0.0000272700000000 ] - [ -0.0004793500000000, 0.0006991200000000, 0.0000485300000000 ] - [ 0.0001232000000000, -0.0005348100000000, -0.0001497900000000 ] - [ 0.0001235400000000, 0.0002932300000000, -0.0000995400000000 ] - [ 0.0000205700000000, -0.0003547400000000, 0.0000080800000000 ] - [ 0.0047695200000000, 0.0023331500000000, 0.0017420000000000 ] - [ -0.0002174100000000, 0.0002676400000000, -0.0001498700000000 ] - [ -0.0000485600000000, -0.0008238100000000, -0.0000983000000000 ] - [ 0.0002250900000000, -0.0001648000000000, -0.0000211800000000 ] - [ -0.0002305200000000, -0.0002360800000000, -0.0001601700000000 ] - [ 0.0001545000000000, -0.0001629700000000, 0.0000409200000000 ] - [ -0.0019051700000000, -0.0006373700000000, -0.0040889900000000 ] - [ -0.0001775400000000, -0.0002363100000000, 0.0001787700000000 ] - [ -0.0018903900000000, -0.0007007000000000, 0.0038431400000000 ] - [ 0.0002500500000000, -0.0017156900000000, 0.0030692800000000 ] - [ -0.0003478200000000, -0.0019447300000000, -0.0032995300000000 ] - [ 0.0002858500000000, -0.0007462500000000, -0.0000262800000000 ] - [ -0.0000087400000000, 0.0001499200000000, -0.0000930900000000 ] - [ 0.0002957000000000, 0.0018359500000000, -0.0020743300000000 ] - [ 0.0003775600000000, -0.0005888500000000, -0.0001480500000000 ] - [ -0.0012651500000000, 0.0004021300000000, 0.0002165900000000 ] - [ -0.0005812200000000, 0.0006597200000000, 0.0001035500000000 ] - [ -0.0002213600000000, -0.0004349800000000, -0.0000523100000000 ] - [ 0.0004682100000000, 0.0010749400000000, -0.0005452600000000 ] - [ -0.0001490400000000, -0.0002021700000000, -0.0000992300000000 ] - [ 0.0016648600000000, -0.0002750700000000, 0.0000415600000000 ] - [ 0.0004150000000000, -0.0005319600000000, -0.0000701800000000 ] - [ 0.0000521300000000, 0.0006970400000000, -0.0017463200000000 ] - [ 0.0000061800000000, -0.0002896500000000, 0.0000479600000000 ] - [ -0.0002096600000000, -0.0003996600000000, -0.0002024900000000 ] - [ -0.0003344900000000, 0.0006523500000000, -0.0001930900000000 ] - [ 0.0000551000000000, -0.0006279600000000, 0.0000451500000000 ] - [ 0.0000376400000000, -0.0004586900000000, -0.0000208800000000 ] - [ 0.0001703200000000, -0.0005712200000000, -0.0001747400000000 ] - [ 0.0288387800000000, -0.0152211100000000, -0.0451761900000000 ] - [ 0.0003898600000000, -0.0002253700000000, 0.0002727200000000 ] - [ -0.0020168100000000, -0.0004050300000000, 0.0005999700000000 ] - [ -0.0002155800000000, -0.0006155200000000, 0.0001382000000000 ] - [ -0.0011704200000000, 0.0001178600000000, -0.0001881300000000 ] - [ -0.0012853600000000, -0.0003078800000000, 0.0003423500000000 ] - [ -0.0001225700000000, -0.0006301700000000, 0.0000724500000000 ] - [ -0.0001955800000000, -0.0004246200000000, -0.0000488100000000 ] - [ 0.0371666500000000, 0.0269537600000000, -0.0882444500000000 ] - [ 0.0000032500000000, -0.0002014100000000, -0.0000213900000000 ] - [ -0.0065566400000000, 0.0425377600000000, -0.0524040200000000 ] - [ -0.0006197000000000, 0.0002031200000000, -0.0003573600000000 ] - [ -0.0016771200000000, -0.0001122900000000, -0.0000189900000000 ] - [ -0.0002504900000000, -0.0002391500000000, -0.0000912800000000 ] - [ -0.0008160900000000, -0.0002646200000000, -0.0001137900000000 ] - [ -0.0004317100000000, 0.0004157800000000, 0.0002869900000000 ] - [ -0.0003020600000000, 0.0004341700000000, -0.0001080600000000 ] - [ 0.0006994600000000, 0.0002052700000000, 0.0004114000000000 ] - [ 0.0067049400000000, -0.0015007400000000, 0.0003271200000000 ] - [ -0.0000470500000000, 0.0000162800000000, -0.0003388500000000 ] - [ -0.0006445800000000, 0.0005543500000000, -0.0000848400000000 ] - [ -0.0001813700000000, 0.0003638400000000, -0.0000237300000000 ] - [ 0.0002131400000000, 0.0003729500000000, 0.0000074900000000 ] - [ 0.0002193900000000, 0.0000640500000000, 0.0000136400000000 ] - [ -0.0001932600000000, 0.0004649500000000, -0.0000016200000000 ] - [ -0.0000579900000000, 0.0001331700000000, 0.0000689400000000 ] - [ -0.0804014600000000, -0.0786444600000000, 0.2695584900000000 ] - [ -0.0008339300000000, 0.0024462600000000, -0.0003451200000000 ] - [ -0.0023552700000000, 0.0034457400000000, -0.0295223700000000 ] - [ 0.0081347200000000, 0.0067952600000000, -0.0069327800000000 ] - [ 0.0008227000000000, -0.0002408400000000, 0.0001385600000000 ] - [ 0.0005612500000000, -0.0003464200000000, 0.0003048500000000 ] - [ 0.0002078100000000, -0.0005712300000000, -0.0000496800000000 ] - [ 0.0025443700000000, 0.0021235900000000, 0.0001055800000000 ] - [ 0.0022526600000000, -0.0023839900000000, -0.0441470500000000 ] - [ 0.0007287100000000, -0.0009450500000000, 0.0000910100000000 ] - [ 0.0000639700000000, 0.0003329600000000, -0.0001507600000000 ] - [ -0.0000505200000000, 0.0004606000000000, 0.0000358700000000 ] - [ 0.0001972800000000, 0.0002700000000000, 0.0003041400000000 ] - [ -0.0000612500000000, 0.0001832000000000, 0.0000345100000000 ] - [ -0.0001879300000000, 0.0003840000000000, 0.0001000900000000 ] - [ 0.0018720500000000, -0.0010829300000000, 0.0000774600000000 ] - [ 0.0002985100000000, -0.0000950600000000, -0.0000444400000000 ] - [ 0.0016230000000000, 0.0022024100000000, 0.0002915200000000 ] - [ 0.0002739200000000, 0.0007808800000000, -0.0001675700000000 ] - [ 0.0002094400000000, 0.0003163600000000, 0.0000708100000000 ] - [ 0.0001252200000000, 0.0005355200000000, 0.0001713100000000 ] - [ -0.0003481800000000, 0.0002362200000000, -0.0000416300000000 ] - [ 0.0001791200000000, 0.0003948000000000, -0.0000515500000000 ] - [ 0.0000910200000000, 0.0004748400000000, 0.0002426400000000 ] - [ -0.0005208400000000, 0.0000790900000000, -0.0002185000000000 ] - [ 0.0003773000000000, 0.0000246200000000, -0.0000563200000000 ] - [ 0.0010254500000000, -0.0003004900000000, 0.0004473200000000 ] - [ -0.0002429200000000, 0.0002702500000000, 0.0003240000000000 ] - [ 0.0015480600000000, -0.0000926100000000, -0.0003766000000000 ] - [ 0.0001885300000000, 0.0003215500000000, -0.0000576400000000 ] - [ -0.0007683200000000, -0.0006848700000000, -0.0000886900000000 ] - [ 0.0003828700000000, 0.0003747600000000, 0.0000272300000000 ] - [ -0.0001943700000000, 0.0001388300000000, 0.0001118700000000 ] - [ -0.0000523700000000, 0.0000475500000000, 0.0000456200000000 ] - [ -0.0007108500000000, 0.0003336200000000, -0.0000609400000000 ] - [ 0.0005690100000000, 0.0006417300000000, -0.0003807200000000 ] - [ 0.0016152200000000, -0.0040416900000000, -0.0002086900000000 ] - [ 0.0000456800000000, 0.0006695700000000, 0.0000815500000000 ] - [ -0.0000786700000000, 0.0005296700000000, -0.0000258000000000 ] - [ 0.0003428600000000, 0.0003426100000000, -0.0000550700000000 ] - [ 0.0010110500000000, 0.0166877500000000, -0.0012387300000000 ] - [ -0.0001396900000000, -0.0000710100000000, 0.0000838500000000 ] - [ 0.0006072100000000, -0.0003108800000000, 0.0001606800000000 ] - [ 0.0001570100000000, -0.0006827800000000, 0.0002473200000000 ]- atom: 64 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001465900000000, -0.0011203600000000, -0.0000578300000000 ] - [ -0.0004428000000000, 0.0099998800000000, -0.0018265800000000 ] - [ 0.0029259300000000, -0.0019244300000000, -0.0001707300000000 ] - [ -0.0035394900000000, 0.0018849700000000, -0.0001357100000000 ] - [ -0.0000501100000000, -0.0003558200000000, 0.0000112500000000 ] - [ -0.0035064300000000, -0.0021997800000000, 0.0001816400000000 ] - [ 0.0000357300000000, 0.0002721100000000, -0.0001483800000000 ] - [ -0.0001772900000000, -0.0010992200000000, -0.0001017800000000 ] - [ -0.0009383700000000, 0.0001275800000000, 0.0005559200000000 ] - [ -0.0001345900000000, -0.0005575200000000, -0.0001698600000000 ] - [ -0.0010723200000000, 0.0001274900000000, -0.0005485300000000 ] - [ -0.0009643600000000, -0.0017299800000000, -0.0008440500000000 ] - [ -0.0000684300000000, -0.0005574900000000, 0.0001852500000000 ] - [ -0.0010368700000000, -0.0015284500000000, 0.0007965600000000 ] - [ 0.0377673500000000, 0.0272255800000000, -0.0227503800000000 ] - [ 0.0392855800000000, 0.0354270800000000, 0.0284271100000000 ] - [ 0.0001586200000000, -0.0011300600000000, -0.0000021600000000 ] - [ 0.0042138900000000, 0.0059786100000000, 0.0001326100000000 ] - [ -0.0097291700000000, 0.0086974000000000, 0.0015645600000000 ] - [ 0.0003862100000000, 0.0014417700000000, 0.0002001400000000 ] - [ -0.0123017600000000, -0.0004998100000000, 0.0005137400000000 ] - [ -0.0003486400000000, 0.0009556700000000, 0.0001889500000000 ] - [ -0.0003504800000000, -0.0010331200000000, -0.0001595000000000 ] - [ 0.0018382500000000, -0.0007898700000000, 0.0000591700000000 ] - [ -0.0000739300000000, -0.0005981800000000, 0.0000130500000000 ] - [ 0.0008974900000000, -0.0014202400000000, -0.0000265900000000 ] - [ 0.0004305400000000, -0.0008490600000000, -0.0000907700000000 ] - [ 0.0087567900000000, 0.0009767600000000, 0.0013370800000000 ] - [ 0.0000756500000000, -0.0010076400000000, 0.0001306100000000 ] - [ -0.0003929600000000, -0.0007027800000000, -0.0002246600000000 ] - [ -0.0035075000000000, 0.0009157000000000, -0.0004736500000000 ] - [ 0.0005328000000000, -0.0036314400000000, -0.0001259700000000 ] - [ -0.0008151200000000, -0.0008445200000000, -0.0001158700000000 ] - [ 0.0003665400000000, -0.0019570000000000, -0.0002015900000000 ] - [ -0.0082263300000000, 0.0027340500000000, -0.0058060600000000 ] - [ -0.0001019900000000, 0.0039180500000000, 0.0009823400000000 ] - [ -0.0074296800000000, 0.0021619200000000, 0.0001115000000000 ] - [ -0.0023403800000000, -0.0031283100000000, 0.0004978400000000 ] - [ -0.0023556800000000, -0.0004048100000000, -0.0004346300000000 ] - [ -0.0104342200000000, -0.0016649500000000, 0.0014965500000000 ] - [ -0.0001908700000000, -0.0008710800000000, 0.0000427100000000 ] - [ 0.0005675400000000, -0.0005318000000000, 0.0000984900000000 ] - [ 0.1650643600000000, 0.1151522400000000, 0.0184305500000000 ] - [ 0.0023265700000000, -0.0000204300000000, 0.0000084900000000 ] - [ 0.0049701900000000, -0.0079494200000000, 0.0012421900000000 ] - [ -0.0077570600000000, 0.0022203700000000, 0.0000116400000000 ] - [ -0.0012711600000000, -0.0005536800000000, -0.0000100800000000 ] - [ -0.0001314700000000, -0.0008082100000000, -0.0000448700000000 ] - [ -0.0006928400000000, 0.0008966600000000, -0.0002894600000000 ] - [ -0.0003832800000000, 0.0010834100000000, 0.0003229600000000 ] - [ -0.0002123700000000, 0.0007915700000000, -0.0001148100000000 ] - [ 0.0042303400000000, 0.0020922500000000, 0.0012871100000000 ] - [ 0.0094459700000000, 0.0005519400000000, 0.0014190900000000 ] - [ 0.0032271900000000, -0.0010692700000000, -0.0006176600000000 ] - [ -0.0005341400000000, 0.0011405200000000, -0.0000261500000000 ] - [ -0.0007403400000000, 0.0005532300000000, -0.0000100200000000 ] - [ 0.0000944500000000, 0.0020134500000000, 0.0001026100000000 ] - [ 0.0026710400000000, 0.0004809800000000, -0.0000605800000000 ] - [ -0.0001848900000000, 0.0007500100000000, 0.0000013700000000 ] - [ 0.0014586300000000, -0.0013828500000000, -0.0002509200000000 ] - [ 0.0070697800000000, 0.0114598400000000, -0.0081256800000000 ] - [ 0.0031221600000000, -0.0048244100000000, -0.0009479400000000 ] - [ -0.0064182600000000, 0.0075518500000000, 0.0009254100000000 ] - [ -0.2616365800000000, -0.2337924600000000, -0.0268904700000000 ] - [ 0.0012285200000000, 0.0018056400000000, 0.0002025500000000 ] - [ 0.0005129300000000, -0.0001848800000000, 0.0001633100000000 ] - [ 0.0012426100000000, -0.0009296400000000, -0.0002000400000000 ] - [ 0.0010719200000000, 0.0013765300000000, 0.0000867400000000 ] - [ 0.0196909000000000, 0.0037433800000000, 0.0097381800000000 ] - [ 0.0080337700000000, -0.0022111600000000, -0.0005662300000000 ] - [ 0.0003593400000000, 0.0006540200000000, -0.0001428300000000 ] - [ 0.0007356600000000, 0.0002276400000000, 0.0000624800000000 ] - [ -0.0009250900000000, -0.0013184200000000, 0.0002874500000000 ] - [ -0.0002042000000000, 0.0006458100000000, 0.0000512400000000 ] - [ -0.0000210800000000, 0.0006508600000000, 0.0001347000000000 ] - [ 0.0062590600000000, -0.0031332600000000, -0.0008326600000000 ] - [ -0.0010750600000000, -0.0003951900000000, -0.0000959400000000 ] - [ 0.0080801300000000, 0.0240646000000000, 0.0012390000000000 ] - [ -0.0014266300000000, 0.0023401500000000, -0.0001867800000000 ] - [ 0.0001761600000000, 0.0005820700000000, 0.0000384100000000 ] - [ -0.0000302500000000, 0.0006843500000000, 0.0000386200000000 ] - [ -0.0003333400000000, 0.0003639600000000, -0.0000348700000000 ] - [ 0.0005575000000000, 0.0010308200000000, -0.0000322700000000 ] - [ -0.0007367400000000, -0.0025044600000000, 0.0001596000000000 ] - [ -0.0004479900000000, 0.0002347500000000, -0.0002395300000000 ] - [ 0.0004483600000000, 0.0004699200000000, 0.0001763500000000 ] - [ 0.0067786200000000, -0.0015604900000000, 0.0015709400000000 ] - [ -0.0001001800000000, 0.0006884200000000, 0.0003321700000000 ] - [ 0.0093831900000000, 0.0061394000000000, 0.0003501800000000 ] - [ -0.0004314500000000, 0.0008156700000000, -0.0000686800000000 ] - [ -0.0020596500000000, 0.0010592400000000, -0.0000166600000000 ] - [ 0.0006742500000000, 0.0014368800000000, -0.0000171300000000 ] - [ -0.0004481700000000, 0.0005301600000000, 0.0000923300000000 ] - [ 0.0005269200000000, -0.0051435900000000, 0.0006804100000000 ] - [ -0.0106589500000000, -0.0037475500000000, -0.0000365000000000 ] - [ 0.0028389900000000, 0.0038221000000000, -0.0024276600000000 ] - [ -0.0043081900000000, 0.0013039400000000, 0.0006154400000000 ] - [ 0.0007910300000000, 0.0001706800000000, 0.0000103400000000 ] - [ -0.0002120800000000, 0.0007773600000000, -0.0000579500000000 ] - [ -0.0005083400000000, -0.0002350500000000, 0.0000597300000000 ] - [ 0.0008861200000000, 0.0047162900000000, -0.0008581100000000 ] - [ -0.0002414200000000, 0.0003529400000000, 0.0000872100000000 ] - [ 0.0019932000000000, -0.0006271600000000, 0.0002047000000000 ] - [ 0.0003256500000000, -0.0057412500000000, -0.0000428400000000 ]- atom: 64 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001471600000000, 0.0009990900000000, 0.0000380200000000 ] - [ 0.0004665600000000, -0.0101497500000000, 0.0018042000000000 ] - [ -0.0027600500000000, 0.0021050000000000, -0.0000807700000000 ] - [ 0.0037085200000000, -0.0020509000000000, -0.0001167700000000 ] - [ 0.0000497800000000, 0.0004920200000000, -0.0000313700000000 ] - [ 0.0035272200000000, 0.0023497600000000, -0.0002059000000000 ] - [ -0.0001948600000000, -0.0001200700000000, -0.0001030300000000 ] - [ 0.0000186200000000, 0.0009605600000000, -0.0001490100000000 ] - [ 0.0013602500000000, -0.0000327200000000, -0.0007260000000000 ] - [ -0.0002871700000000, 0.0004681600000000, 0.0000033900000000 ] - [ 0.0013666100000000, -0.0000361500000000, 0.0007575100000000 ] - [ 0.0006735700000000, 0.0018300300000000, 0.0010529100000000 ] - [ -0.0002250800000000, 0.0004714200000000, 0.0000199500000000 ] - [ 0.0006161700000000, 0.0016300900000000, -0.0009657500000000 ] - [ -0.0377158000000000, -0.0268943300000000, 0.0224772100000000 ] - [ -0.0391317200000000, -0.0350228200000000, -0.0280867900000000 ] - [ 0.0000481000000000, 0.0005875400000000, -0.0000476300000000 ] - [ -0.0045073900000000, -0.0055617400000000, -0.0000684600000000 ] - [ 0.0100009700000000, -0.0087440400000000, -0.0014728400000000 ] - [ 0.0002080000000000, -0.0016914000000000, -0.0004023500000000 ] - [ 0.0129320500000000, 0.0007339200000000, -0.0007228900000000 ] - [ 0.0005576100000000, -0.0004007000000000, -0.0002390500000000 ] - [ 0.0001141100000000, 0.0010594800000000, 0.0000801300000000 ] - [ -0.0020480300000000, 0.0007459900000000, 0.0000456100000000 ] - [ 0.0002180100000000, 0.0010552800000000, 0.0000608000000000 ] - [ -0.0007570100000000, 0.0009814400000000, 0.0001008300000000 ] - [ 0.0001447400000000, 0.0007463100000000, -0.0000211300000000 ] - [ -0.0091570600000000, -0.0011871400000000, -0.0017154200000000 ] - [ -0.0004635200000000, 0.0008042800000000, 0.0001724000000000 ] - [ 0.0000011300000000, 0.0009162300000000, -0.0001541200000000 ] - [ 0.0040898700000000, -0.0008016300000000, 0.0003642800000000 ] - [ -0.0003236300000000, 0.0035916600000000, 0.0002335400000000 ] - [ 0.0010562500000000, 0.0008336000000000, 0.0000363500000000 ] - [ 0.0000272500000000, 0.0017612600000000, -0.0001776700000000 ] - [ 0.0086511600000000, -0.0025529800000000, 0.0054869100000000 ] - [ 0.0004778900000000, -0.0037180500000000, -0.0006892800000000 ] - [ 0.0068834700000000, -0.0022852700000000, -0.0002250600000000 ] - [ 0.0022068500000000, 0.0026883800000000, -0.0004297300000000 ] - [ 0.0017645100000000, 0.0001551500000000, 0.0002321500000000 ] - [ 0.0108957200000000, 0.0014561000000000, -0.0011978400000000 ] - [ -0.0000167000000000, 0.0009301400000000, 0.0000615800000000 ] - [ -0.0011479000000000, 0.0006529400000000, -0.0002105700000000 ] - [ -0.1706648200000000, -0.1220025700000000, -0.0196202700000000 ] - [ -0.0025410400000000, 0.0005815900000000, -0.0000588500000000 ] - [ -0.0052433500000000, 0.0079731800000000, -0.0013458300000000 ] - [ 0.0075729600000000, -0.0027939200000000, -0.0000573800000000 ] - [ 0.0008863700000000, 0.0007735200000000, 0.0003138700000000 ] - [ -0.0004666400000000, 0.0010733200000000, -0.0001594600000000 ] - [ 0.0001938500000000, -0.0006726200000000, 0.0000406200000000 ] - [ 0.0000970600000000, -0.0008898100000000, 0.0001551700000000 ] - [ -0.0003900500000000, -0.0006572300000000, -0.0000500100000000 ] - [ -0.0039665700000000, -0.0018892100000000, -0.0008179700000000 ] - [ -0.0089877100000000, -0.0006577100000000, -0.0015401200000000 ] - [ -0.0033531400000000, 0.0012461800000000, 0.0005701800000000 ] - [ 0.0004651300000000, -0.0013982600000000, 0.0000995200000000 ] - [ 0.0006281300000000, -0.0007309800000000, -0.0000395800000000 ] - [ 0.0003188900000000, -0.0020727000000000, -0.0001030900000000 ] - [ -0.0026068000000000, -0.0007305500000000, 0.0001349600000000 ] - [ -0.0002309600000000, -0.0007050700000000, -0.0000022000000000 ] - [ -0.0012606700000000, 0.0013335000000000, 0.0004225800000000 ] - [ -0.0070507900000000, -0.0117113800000000, 0.0080637500000000 ] - [ -0.0027168200000000, 0.0049366100000000, 0.0009704100000000 ] - [ 0.0063775400000000, -0.0075088000000000, -0.0011174800000000 ] - [ 0.2685090600000000, 0.2396906600000000, 0.0280708600000000 ] - [ -0.0014353400000000, -0.0010991500000000, -0.0000361500000000 ] - [ -0.0008848900000000, 0.0001031600000000, 0.0004708200000000 ] - [ -0.0018459800000000, 0.0007860800000000, 0.0000341900000000 ] - [ -0.0012714900000000, -0.0014389800000000, 0.0000818200000000 ] - [ -0.0194663200000000, -0.0038421100000000, -0.0098037100000000 ] - [ -0.0073171000000000, 0.0015055300000000, 0.0001954800000000 ] - [ -0.0004777900000000, -0.0007322100000000, -0.0000571100000000 ] - [ -0.0006960700000000, 0.0000250300000000, 0.0000085600000000 ] - [ 0.0013028900000000, 0.0012390500000000, 0.0003451300000000 ] - [ 0.0001657300000000, -0.0009090700000000, 0.0000199700000000 ] - [ -0.0005520500000000, -0.0006754900000000, -0.0000096200000000 ] - [ -0.0056824300000000, 0.0032959500000000, 0.0006735200000000 ] - [ 0.0003265700000000, 0.0011203100000000, -0.0002780100000000 ] - [ -0.0079961900000000, -0.0238590900000000, -0.0010642200000000 ] - [ 0.0021769300000000, -0.0016228500000000, -0.0001889700000000 ] - [ -0.0002497100000000, -0.0003374600000000, 0.0000350000000000 ] - [ -0.0004698400000000, -0.0009233700000000, -0.0002885300000000 ] - [ -0.0001763700000000, -0.0004703000000000, -0.0000641000000000 ] - [ -0.0004440600000000, -0.0009654800000000, -0.0001693800000000 ] - [ 0.0010482800000000, 0.0022965300000000, 0.0003263000000000 ] - [ -0.0002991400000000, -0.0009683100000000, -0.0001337500000000 ] - [ -0.0007378200000000, -0.0006797200000000, 0.0003021500000000 ] - [ -0.0064417700000000, 0.0016613700000000, -0.0009367800000000 ] - [ -0.0002724000000000, -0.0006166900000000, 0.0003008600000000 ] - [ -0.0092234200000000, -0.0068042700000000, -0.0001591700000000 ] - [ 0.0009441700000000, -0.0007197000000000, -0.0000302500000000 ] - [ 0.0016446800000000, -0.0011201400000000, 0.0000162900000000 ] - [ -0.0001056100000000, -0.0014268700000000, 0.0001438800000000 ] - [ 0.0002546500000000, -0.0004812000000000, 0.0000764100000000 ] - [ 0.0000032500000000, 0.0049540000000000, -0.0009409000000000 ] - [ 0.0107865600000000, 0.0039210600000000, 0.0000794800000000 ] - [ -0.0023520100000000, -0.0036060100000000, 0.0021816000000000 ] - [ 0.0037477200000000, -0.0012896900000000, -0.0004921400000000 ] - [ -0.0005838100000000, 0.0005420900000000, 0.0001555800000000 ] - [ 0.0003290400000000, -0.0006161700000000, 0.0000081700000000 ] - [ 0.0011111800000000, 0.0000866700000000, -0.0002253200000000 ] - [ -0.0009262600000000, -0.0044851000000000, 0.0009376800000000 ] - [ 0.0000375100000000, -0.0010764100000000, 0.0000790700000000 ] - [ -0.0018870500000000, 0.0004553700000000, -0.0002539500000000 ] - [ -0.0008357900000000, 0.0058297200000000, -0.0000579300000000 ]- atom: 64 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000592200000000, -0.0028708100000000, -0.0001274300000000 ] - [ 0.0068761400000000, 0.0046357800000000, 0.0012237800000000 ] - [ 0.0004542500000000, -0.0054132400000000, -0.0003353900000000 ] - [ -0.0009730500000000, 0.0023429400000000, 0.0001318900000000 ] - [ 0.0001082200000000, -0.0021430200000000, 0.0000842700000000 ] - [ -0.0027584900000000, 0.0019405200000000, -0.0005921400000000 ] - [ 0.0008182900000000, -0.0021374600000000, -0.0001253400000000 ] - [ -0.0004488600000000, -0.0025544200000000, -0.0000742200000000 ] - [ 0.0000221600000000, -0.0008228300000000, 0.0004510400000000 ] - [ 0.0000999800000000, -0.0018238100000000, -0.0002405600000000 ] - [ -0.0001454500000000, -0.0008473800000000, -0.0004367900000000 ] - [ -0.0016595600000000, -0.0021756500000000, -0.0008878600000000 ] - [ 0.0001751700000000, -0.0018158100000000, 0.0002424200000000 ] - [ -0.0019999700000000, -0.0023085000000000, 0.0009789100000000 ] - [ 0.0259978400000000, 0.0728901900000000, -0.0430913700000000 ] - [ 0.0338779200000000, 0.0847422400000000, 0.0536782300000000 ] - [ -0.0000783300000000, -0.0032125900000000, 0.0000263600000000 ] - [ 0.0136578000000000, 0.0018066300000000, 0.0010971700000000 ] - [ 0.0007976300000000, 0.0092105800000000, 0.0013822800000000 ] - [ 0.0007583500000000, -0.0020185000000000, -0.0000538000000000 ] - [ -0.0048122800000000, 0.0046921300000000, 0.0005491700000000 ] - [ 0.0019058300000000, 0.0008540100000000, -0.0005129700000000 ] - [ -0.0002181300000000, -0.0028707100000000, -0.0002417700000000 ] - [ 0.0030141800000000, -0.0043857200000000, -0.0002559600000000 ] - [ 0.0002736900000000, -0.0023325400000000, 0.0000274900000000 ] - [ -0.0006193700000000, -0.0045535200000000, 0.0002142400000000 ] - [ 0.0007635200000000, -0.0029678100000000, -0.0000943800000000 ] - [ 0.0090391900000000, -0.0092318500000000, 0.0019400500000000 ] - [ -0.0000313600000000, -0.0035227100000000, 0.0003002500000000 ] - [ -0.0002741800000000, -0.0024612200000000, -0.0002378300000000 ] - [ 0.0063950600000000, 0.0029978700000000, -0.0001601900000000 ] - [ -0.0003202200000000, -0.0047253300000000, -0.0001215100000000 ] - [ -0.0006898600000000, -0.0026210200000000, -0.0000393200000000 ] - [ 0.0000699900000000, -0.0033588700000000, -0.0000723900000000 ] - [ -0.0068464800000000, 0.0118859900000000, 0.0008917400000000 ] - [ 0.0018324600000000, -0.0001826400000000, 0.0007569800000000 ] - [ -0.0023716400000000, 0.0049901900000000, -0.0004727500000000 ] - [ -0.0020447900000000, -0.0021734800000000, 0.0015737100000000 ] - [ -0.0012008700000000, -0.0015794800000000, -0.0001187300000000 ] - [ -0.0154162000000000, 0.0003034800000000, 0.0017735400000000 ] - [ -0.0000521300000000, -0.0025541000000000, 0.0000185000000000 ] - [ 0.0004907900000000, -0.0028305600000000, 0.0000572400000000 ] - [ 0.1175415500000000, 0.1305550700000000, 0.0156885700000000 ] - [ 0.0015281600000000, -0.0025746100000000, -0.0000393500000000 ] - [ -0.0045370300000000, -0.0042191100000000, -0.0075281500000000 ] - [ -0.0031858800000000, 0.0060697400000000, -0.0005299000000000 ] - [ -0.0011252000000000, -0.0021381700000000, -0.0001152900000000 ] - [ -0.0002827600000000, -0.0030051900000000, 0.0000532800000000 ] - [ -0.0003778400000000, 0.0036721100000000, -0.0003366700000000 ] - [ -0.0002114600000000, 0.0033928700000000, 0.0002914700000000 ] - [ 0.0002458200000000, 0.0026202900000000, -0.0001734700000000 ] - [ 0.0045710600000000, -0.0009917600000000, 0.0031872700000000 ] - [ 0.0044163300000000, -0.0029190500000000, -0.0002052200000000 ] - [ -0.0004895100000000, -0.0044986800000000, -0.0002023100000000 ] - [ 0.0004814200000000, 0.0022674900000000, -0.0000133300000000 ] - [ -0.0009503100000000, 0.0026388800000000, -0.0000356600000000 ] - [ 0.0005344300000000, 0.0026467200000000, 0.0000361800000000 ] - [ 0.0019236500000000, 0.0006148600000000, -0.0003604700000000 ] - [ -0.0004524200000000, 0.0023047600000000, 0.0000422900000000 ] - [ -0.0005367700000000, 0.0001489900000000, -0.0000808300000000 ] - [ 0.0159767800000000, -0.0009804700000000, -0.0069697100000000 ] - [ -0.0024427500000000, -0.0075819700000000, 0.0000485800000000 ] - [ 0.0104978100000000, 0.0248771800000000, 0.0163248000000000 ] - [ -0.2353254700000000, -0.3333133200000000, -0.0384568900000000 ] - [ 0.0012606000000000, 0.0009493800000000, 0.0002362200000000 ] - [ -0.0004269700000000, 0.0007811100000000, 0.0003464600000000 ] - [ -0.0017974300000000, 0.0000167000000000, -0.0000273800000000 ] - [ 0.0014141200000000, 0.0023727100000000, 0.0000482800000000 ] - [ 0.0069064700000000, -0.0091213700000000, 0.0002161600000000 ] - [ 0.0022060600000000, -0.0041078700000000, -0.0004053000000000 ] - [ 0.0005639700000000, 0.0020648100000000, -0.0004118400000000 ] - [ -0.0000822200000000, 0.0017941500000000, 0.0000484400000000 ] - [ -0.0005527600000000, 0.0011287200000000, 0.0003061700000000 ] - [ -0.0007946200000000, 0.0023181300000000, 0.0000482500000000 ] - [ 0.0000971700000000, 0.0019615300000000, 0.0002871900000000 ] - [ 0.0035593100000000, -0.0051579400000000, -0.0003482300000000 ] - [ -0.0026958400000000, 0.0010718200000000, -0.0000572200000000 ] - [ 0.0280635200000000, 0.0257532600000000, 0.0007363200000000 ] - [ -0.0007274100000000, 0.0035691000000000, 0.0000376000000000 ] - [ 0.0000891400000000, 0.0018716900000000, 0.0000375700000000 ] - [ -0.0002145600000000, 0.0022001800000000, 0.0000535300000000 ] - [ -0.0006565000000000, 0.0014935000000000, -0.0000138200000000 ] - [ 0.0008096500000000, 0.0023661900000000, 0.0002300300000000 ] - [ -0.0023162000000000, 0.0012528800000000, -0.0001654900000000 ] - [ -0.0006034000000000, 0.0014394400000000, -0.0003133900000000 ] - [ 0.0001940200000000, 0.0019111300000000, 0.0000653200000000 ] - [ 0.0060396800000000, -0.0043406600000000, -0.0001952100000000 ] - [ 0.0005728200000000, 0.0024081300000000, 0.0003913700000000 ] - [ 0.0040471900000000, -0.0095186300000000, 0.0009254800000000 ] - [ -0.0002707300000000, 0.0018780100000000, -0.0001138400000000 ] - [ -0.0017574500000000, 0.0046847500000000, 0.0001717700000000 ] - [ 0.0009899100000000, 0.0025714300000000, -0.0001608900000000 ] - [ -0.0009686200000000, 0.0021131700000000, 0.0000591000000000 ] - [ -0.0040767700000000, -0.0030998200000000, 0.0002144500000000 ] - [ -0.0050014700000000, 0.0041233800000000, -0.0004729900000000 ] - [ 0.0041852600000000, 0.0046556800000000, -0.0030359300000000 ] - [ -0.0035996500000000, 0.0041540200000000, 0.0001399400000000 ] - [ -0.0002128600000000, 0.0018961300000000, 0.0000752000000000 ] - [ -0.0005283100000000, 0.0027733700000000, -0.0000529700000000 ] - [ 0.0000647000000000, 0.0020088600000000, 0.0001058400000000 ] - [ 0.0045689100000000, 0.0047722900000000, 0.0017109100000000 ] - [ -0.0002988800000000, 0.0018306100000000, 0.0000916600000000 ] - [ -0.0016178200000000, -0.0024160500000000, -0.0005657700000000 ] - [ -0.0087581200000000, 0.0011924600000000, 0.0000252700000000 ]- atom: 64 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000597800000000, 0.0027441700000000, 0.0001073900000000 ] - [ -0.0068768800000000, -0.0048429000000000, -0.0012363900000000 ] - [ -0.0002899900000000, 0.0055621500000000, 0.0000835800000000 ] - [ 0.0011317600000000, -0.0024840800000000, -0.0003833800000000 ] - [ -0.0001077100000000, 0.0022759400000000, -0.0001042700000000 ] - [ 0.0027636100000000, -0.0018271700000000, 0.0005761400000000 ] - [ -0.0009814600000000, 0.0022843400000000, -0.0001263600000000 ] - [ 0.0002912300000000, 0.0024105100000000, -0.0001767100000000 ] - [ 0.0003989100000000, 0.0009214300000000, -0.0006185500000000 ] - [ -0.0005228400000000, 0.0017308700000000, 0.0000735200000000 ] - [ 0.0004380600000000, 0.0009425400000000, 0.0006426400000000 ] - [ 0.0013707000000000, 0.0022685400000000, 0.0010948700000000 ] - [ -0.0004698400000000, 0.0017260400000000, -0.0000369800000000 ] - [ 0.0015848800000000, 0.0024077900000000, -0.0011488300000000 ] - [ -0.0244324000000000, -0.0714734800000000, 0.0409597600000000 ] - [ -0.0318733200000000, -0.0828551100000000, -0.0509832800000000 ] - [ 0.0002896000000000, 0.0026643200000000, -0.0000759100000000 ] - [ -0.0138169400000000, -0.0013429400000000, -0.0010278900000000 ] - [ -0.0006033900000000, -0.0091391400000000, -0.0012761400000000 ] - [ -0.0001594100000000, 0.0017692700000000, -0.0001478500000000 ] - [ 0.0054754500000000, -0.0044062100000000, -0.0007569700000000 ] - [ -0.0017012700000000, -0.0003115400000000, 0.0004641500000000 ] - [ -0.0000191900000000, 0.0028914200000000, 0.0001616300000000 ] - [ -0.0032443100000000, 0.0043496100000000, 0.0003592800000000 ] - [ -0.0001305700000000, 0.0027821300000000, 0.0000464200000000 ] - [ 0.0007676200000000, 0.0041154800000000, -0.0001407200000000 ] - [ -0.0001841500000000, 0.0028595600000000, -0.0000176100000000 ] - [ -0.0094973600000000, 0.0090669000000000, -0.0023151100000000 ] - [ -0.0003583500000000, 0.0033170900000000, 0.0000015200000000 ] - [ -0.0001181400000000, 0.0026697700000000, -0.0001409600000000 ] - [ -0.0058232400000000, -0.0028994200000000, 0.0000478800000000 ] - [ 0.0005265600000000, 0.0046693700000000, 0.0002281100000000 ] - [ 0.0009251900000000, 0.0026069100000000, -0.0000410800000000 ] - [ 0.0003230100000000, 0.0031550600000000, -0.0003063300000000 ] - [ 0.0072478900000000, -0.0117115600000000, -0.0013041900000000 ] - [ -0.0014393800000000, 0.0003998000000000, -0.0004557300000000 ] - [ 0.0017877100000000, -0.0051166700000000, 0.0003638400000000 ] - [ 0.0018969000000000, 0.0017363800000000, -0.0014953900000000 ] - [ 0.0006061000000000, 0.0013204700000000, -0.0000844900000000 ] - [ 0.0158176900000000, -0.0004958600000000, -0.0014672900000000 ] - [ -0.0001559100000000, 0.0026073900000000, 0.0000860300000000 ] - [ -0.0010700500000000, 0.0029464700000000, -0.0001685600000000 ] - [ -0.1229800900000000, -0.1333096000000000, -0.0165039100000000 ] - [ -0.0017351100000000, 0.0031307700000000, -0.0000106400000000 ] - [ 0.0043438300000000, 0.0041853200000000, 0.0074859600000000 ] - [ 0.0029771900000000, -0.0066299700000000, 0.0004742800000000 ] - [ 0.0007396700000000, 0.0023516000000000, 0.0004186600000000 ] - [ -0.0003153700000000, 0.0032663000000000, -0.0002574300000000 ] - [ -0.0001211300000000, -0.0034510300000000, 0.0000875500000000 ] - [ -0.0000764000000000, -0.0031968300000000, 0.0001870400000000 ] - [ -0.0008480000000000, -0.0024822900000000, 0.0000086200000000 ] - [ -0.0042796600000000, 0.0011709900000000, -0.0026913000000000 ] - [ -0.0039060800000000, 0.0028298200000000, 0.0001156600000000 ] - [ 0.0003759500000000, 0.0046784400000000, 0.0001519700000000 ] - [ -0.0005569700000000, -0.0025219300000000, 0.0000861800000000 ] - [ 0.0008350800000000, -0.0028113400000000, -0.0000143500000000 ] - [ -0.0001162100000000, -0.0027016100000000, -0.0000361300000000 ] - [ -0.0018504100000000, -0.0008700000000000, 0.0004317700000000 ] - [ 0.0000358200000000, -0.0022540900000000, -0.0000428500000000 ] - [ 0.0007340100000000, -0.0002085900000000, 0.0002500400000000 ] - [ -0.0160171700000000, 0.0009171700000000, 0.0068497600000000 ] - [ 0.0028710600000000, 0.0076321100000000, -0.0000535600000000 ] - [ -0.0107814400000000, -0.0252142600000000, -0.0168115800000000 ] - [ 0.2381595100000000, 0.3324763800000000, 0.0388730600000000 ] - [ -0.0014712500000000, -0.0002282500000000, -0.0000712900000000 ] - [ 0.0000553900000000, -0.0008564300000000, 0.0002862100000000 ] - [ 0.0011985200000000, -0.0001534500000000, -0.0001368800000000 ] - [ -0.0016134600000000, -0.0024316400000000, 0.0001206300000000 ] - [ -0.0062936000000000, 0.0091716100000000, -0.0000515400000000 ] - [ -0.0014545100000000, 0.0033792300000000, 0.0000335000000000 ] - [ -0.0006802800000000, -0.0021396500000000, 0.0002113900000000 ] - [ 0.0001244300000000, -0.0015422700000000, 0.0000224800000000 ] - [ 0.0009208600000000, -0.0012108300000000, 0.0003264100000000 ] - [ 0.0007562700000000, -0.0025777100000000, 0.0000228300000000 ] - [ -0.0006695300000000, -0.0019827500000000, -0.0001616200000000 ] - [ -0.0029729400000000, 0.0053061300000000, 0.0001840700000000 ] - [ 0.0019596200000000, -0.0003406800000000, -0.0003171600000000 ] - [ -0.0275696000000000, -0.0253181000000000, -0.0005659300000000 ] - [ 0.0014734000000000, -0.0028403500000000, -0.0004121900000000 ] - [ -0.0001597900000000, -0.0016230200000000, 0.0000355200000000 ] - [ -0.0002860800000000, -0.0024328600000000, -0.0003035600000000 ] - [ 0.0001456700000000, -0.0015964600000000, -0.0000854000000000 ] - [ -0.0006930800000000, -0.0022963500000000, -0.0004319600000000 ] - [ 0.0026086700000000, -0.0014644900000000, 0.0006486700000000 ] - [ -0.0001453900000000, -0.0021696600000000, -0.0000603200000000 ] - [ -0.0004823600000000, -0.0021129700000000, 0.0004137300000000 ] - [ -0.0056716200000000, 0.0044037200000000, 0.0008144700000000 ] - [ -0.0009452700000000, -0.0023342800000000, 0.0002414600000000 ] - [ -0.0039273400000000, 0.0087191200000000, -0.0007480800000000 ] - [ 0.0007817200000000, -0.0017789000000000, 0.0000143200000000 ] - [ 0.0013524200000000, -0.0047513200000000, -0.0001728100000000 ] - [ -0.0004174700000000, -0.0025542300000000, 0.0002873000000000 ] - [ 0.0007754200000000, -0.0020607400000000, 0.0001100600000000 ] - [ 0.0045710800000000, 0.0028627000000000, -0.0004698600000000 ] - [ 0.0050808700000000, -0.0039138000000000, 0.0005755600000000 ] - [ -0.0036726300000000, -0.0044186100000000, 0.0027720900000000 ] - [ 0.0030478500000000, -0.0041558200000000, -0.0000197600000000 ] - [ 0.0004182100000000, -0.0011832200000000, 0.0000903900000000 ] - [ 0.0006433900000000, -0.0026080700000000, 0.0000027400000000 ] - [ 0.0005340700000000, -0.0021549500000000, -0.0002704700000000 ] - [ -0.0046364000000000, -0.0045230100000000, -0.0016568600000000 ] - [ 0.0000943900000000, -0.0025501900000000, 0.0000743400000000 ] - [ 0.0017386600000000, 0.0022577800000000, 0.0005172600000000 ] - [ 0.0082866500000000, -0.0010782300000000, -0.0001282700000000 ]- atom: 64 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000039100000000, -0.0000828900000000, -0.0000102500000000 ] - [ -0.0016240700000000, 0.0023746200000000, -0.0059538300000000 ] - [ 0.0000259000000000, 0.0000441300000000, 0.0002186400000000 ] - [ 0.0000790400000000, -0.0002530300000000, -0.0001589100000000 ] - [ -0.0000017700000000, 0.0000779100000000, -0.0000115400000000 ] - [ 0.0004157400000000, -0.0004207400000000, 0.0009092000000000 ] - [ 0.0000812000000000, 0.0000420000000000, -0.0000721900000000 ] - [ -0.0001188000000000, -0.0000430200000000, -0.0001223900000000 ] - [ 0.0001711700000000, 0.0000509300000000, -0.0000877900000000 ] - [ -0.0001868900000000, -0.0000624800000000, -0.0000786900000000 ] - [ 0.0001073200000000, 0.0000405900000000, 0.0001039800000000 ] - [ 0.0000009800000000, 0.0003377200000000, 0.0004684500000000 ] - [ -0.0001239000000000, -0.0000553100000000, 0.0000983400000000 ] - [ -0.0002621400000000, 0.0000147300000000, -0.0003483900000000 ] - [ -0.0224094000000000, -0.0464698100000000, 0.0590804700000000 ] - [ 0.0322775800000000, 0.0591406500000000, 0.0695885900000000 ] - [ 0.0000730300000000, -0.0002907500000000, -0.0000371900000000 ] - [ 0.0001236700000000, -0.0001072800000000, -0.0008288900000000 ] - [ -0.0007231100000000, 0.0024539600000000, 0.0030039200000000 ] - [ 0.0004240100000000, -0.0000315800000000, 0.0000058600000000 ] - [ -0.0004562000000000, -0.0003566300000000, 0.0024131400000000 ] - [ 0.0001858200000000, 0.0004359500000000, -0.0000472800000000 ] - [ -0.0001094000000000, -0.0000012000000000, -0.0000438200000000 ] - [ -0.0000659500000000, 0.0002483800000000, -0.0010201800000000 ] - [ 0.0001155200000000, 0.0002740700000000, 0.0000412400000000 ] - [ -0.0003860100000000, -0.0006186500000000, 0.0004559900000000 ] - [ 0.0002809300000000, -0.0000724600000000, -0.0000494100000000 ] - [ 0.0036331500000000, -0.0005724900000000, 0.0039540900000000 ] - [ -0.0001963000000000, -0.0001818900000000, 0.0000274500000000 ] - [ -0.0002048000000000, 0.0001178600000000, -0.0001909700000000 ] - [ 0.0004653900000000, 0.0002627100000000, -0.0000391400000000 ] - [ 0.0001530600000000, -0.0000901200000000, 0.0000102100000000 ] - [ 0.0000912700000000, -0.0000111400000000, -0.0000468600000000 ] - [ 0.0002035100000000, -0.0001314500000000, -0.0001815200000000 ] - [ 0.0036751400000000, -0.0040801000000000, -0.0077620400000000 ] - [ 0.0002347500000000, 0.0002160400000000, 0.0002419400000000 ] - [ -0.0001627600000000, 0.0000051400000000, 0.0001386400000000 ] - [ -0.0001538800000000, -0.0002010200000000, 0.0002341800000000 ] - [ -0.0002830900000000, -0.0000756900000000, -0.0000829300000000 ] - [ 0.0006955100000000, -0.0006064700000000, -0.0005832800000000 ] - [ -0.0001216800000000, 0.0000635800000000, 0.0000455700000000 ] - [ -0.0002783000000000, 0.0000489500000000, -0.0000571600000000 ] - [ 0.0206684400000000, 0.0156527200000000, 0.0295929100000000 ] - [ -0.0001019500000000, 0.0002590300000000, -0.0000382100000000 ] - [ -0.0045160500000000, 0.0042182500000000, -0.0085504500000000 ] - [ -0.0008735200000000, -0.0001638700000000, -0.0001651600000000 ] - [ -0.0001567800000000, 0.0001501700000000, 0.0001421900000000 ] - [ -0.0002847200000000, 0.0000529300000000, -0.0000560200000000 ] - [ -0.0001892600000000, -0.0000573100000000, -0.0001103100000000 ] - [ -0.0000698600000000, 0.0002718800000000, 0.0002179100000000 ] - [ -0.0002782400000000, 0.0001112700000000, -0.0000832100000000 ] - [ -0.0003011600000000, -0.0001475900000000, -0.0001041600000000 ] - [ -0.0011064000000000, 0.0003791400000000, 0.0011644700000000 ] - [ -0.0001342500000000, 0.0000409500000000, 0.0001597700000000 ] - [ 0.0001754900000000, -0.0001157500000000, 0.0000429300000000 ] - [ -0.0000624100000000, -0.0000701500000000, -0.0000292800000000 ] - [ 0.0002363100000000, -0.0000119900000000, -0.0000168800000000 ] - [ 0.0000211200000000, -0.0001156800000000, -0.0000297300000000 ] - [ -0.0002056200000000, 0.0000046700000000, 0.0000016700000000 ] - [ 0.0002021900000000, -0.0000671000000000, 0.0000311700000000 ] - [ -0.0141323000000000, -0.0099031100000000, 0.0068945500000000 ] - [ -0.0010718200000000, 0.0009676900000000, 0.0006834900000000 ] - [ 0.0037147400000000, 0.0171197000000000, 0.0011422100000000 ] - [ -0.0295136500000000, -0.0421180400000000, -0.1886662300000000 ] - [ -0.0001549500000000, 0.0003725500000000, 0.0001240500000000 ] - [ -0.0002148500000000, -0.0000950300000000, 0.0003073700000000 ] - [ -0.0003618200000000, -0.0001472300000000, -0.0000397400000000 ] - [ -0.0002633200000000, -0.0001635500000000, 0.0000543200000000 ] - [ 0.0112045300000000, 0.0024104900000000, 0.0006639300000000 ] - [ 0.0017321600000000, -0.0009280500000000, -0.0005855200000000 ] - [ -0.0000548600000000, -0.0000371400000000, -0.0001000700000000 ] - [ 0.0000447300000000, 0.0001159400000000, 0.0000292200000000 ] - [ 0.0000906700000000, -0.0000370500000000, 0.0003325800000000 ] - [ -0.0000337500000000, -0.0001130000000000, 0.0000357700000000 ] - [ -0.0002860400000000, -0.0000221300000000, 0.0000630300000000 ] - [ 0.0000947800000000, 0.0003997800000000, -0.0003204400000000 ] - [ -0.0004697200000000, 0.0001389500000000, -0.0000959400000000 ] - [ -0.0013024400000000, -0.0002017500000000, -0.0010509800000000 ] - [ 0.0003579400000000, 0.0003824800000000, -0.0002047100000000 ] - [ -0.0000786700000000, 0.0001307900000000, 0.0000379500000000 ] - [ -0.0002670500000000, -0.0001759600000000, -0.0001455000000000 ] - [ -0.0002446300000000, -0.0000521100000000, -0.0000500000000000 ] - [ 0.0000648200000000, 0.0000460700000000, -0.0001009900000000 ] - [ 0.0006466300000000, -0.0004567700000000, 0.0001293000000000 ] - [ -0.0003485800000000, -0.0003796100000000, -0.0001846000000000 ] - [ -0.0001766200000000, -0.0001503000000000, 0.0002563700000000 ] - [ 0.0014678700000000, 0.0004306800000000, 0.0012733800000000 ] - [ -0.0001760600000000, 0.0000466300000000, 0.0003200100000000 ] - [ 0.0017242200000000, 0.0011243800000000, 0.0138079500000000 ] - [ 0.0002463000000000, 0.0000578000000000, -0.0000517500000000 ] - [ -0.0010543000000000, 0.0014292600000000, 0.0000745500000000 ] - [ 0.0002916300000000, 0.0000463600000000, 0.0000610800000000 ] - [ -0.0001266900000000, 0.0000501700000000, 0.0001127500000000 ] - [ 0.0001951500000000, -0.0010758600000000, 0.0000875700000000 ] - [ -0.0004234600000000, 0.0018794400000000, 0.0179652400000000 ] - [ 0.0002786500000000, 0.0003000600000000, -0.0000934700000000 ] - [ -0.0001221300000000, -0.0013802300000000, 0.0004993700000000 ] - [ 0.0001487900000000, 0.0002889600000000, 0.0000430100000000 ] - [ 0.0000591700000000, 0.0000911100000000, -0.0000246700000000 ] - [ 0.0002834900000000, -0.0000686900000000, -0.0000835800000000 ] - [ 0.0008861100000000, -0.0015445500000000, 0.0022602400000000 ] - [ -0.0001220700000000, -0.0003315400000000, 0.0000793500000000 ] - [ 0.0001134000000000, -0.0002475900000000, -0.0002218300000000 ] - [ -0.0013184400000000, -0.0000252800000000, -0.0007134800000000 ]- atom: 64 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000045500000000, -0.0000515300000000, -0.0000100800000000 ] - [ 0.0015870500000000, -0.0024250300000000, 0.0059612300000000 ] - [ 0.0001283800000000, 0.0000916300000000, -0.0004709300000000 ] - [ 0.0000717200000000, 0.0001131400000000, -0.0000931300000000 ] - [ 0.0000026700000000, 0.0000472900000000, -0.0000081200000000 ] - [ -0.0004293600000000, 0.0005473700000000, -0.0009268600000000 ] - [ -0.0002390900000000, 0.0001024900000000, -0.0001794700000000 ] - [ -0.0000405000000000, -0.0001094100000000, -0.0001284000000000 ] - [ 0.0002497100000000, 0.0000426800000000, -0.0000779200000000 ] - [ -0.0002341700000000, -0.0000351800000000, -0.0000884100000000 ] - [ 0.0001852000000000, 0.0000498300000000, 0.0001001200000000 ] - [ -0.0002983100000000, -0.0002546200000000, -0.0002698800000000 ] - [ -0.0001689100000000, -0.0000390900000000, 0.0001070700000000 ] - [ -0.0001642900000000, 0.0000716200000000, 0.0001884500000000 ] - [ 0.0241756600000000, 0.0490006400000000, -0.0607297000000000 ] - [ -0.0302690600000000, -0.0563267200000000, -0.0680046700000000 ] - [ 0.0001355000000000, -0.0002661700000000, -0.0000126600000000 ] - [ -0.0001915700000000, 0.0005638300000000, 0.0009090700000000 ] - [ 0.0008943300000000, -0.0023697600000000, -0.0028933300000000 ] - [ 0.0001752400000000, -0.0002287800000000, -0.0002108100000000 ] - [ 0.0010108100000000, 0.0006048500000000, -0.0026193100000000 ] - [ 0.0000227600000000, 0.0001199400000000, -0.0000046500000000 ] - [ -0.0001284200000000, 0.0000145700000000, -0.0000367100000000 ] - [ -0.0001336000000000, -0.0003040100000000, 0.0011229200000000 ] - [ 0.0000271500000000, 0.0001690000000000, 0.0000327500000000 ] - [ 0.0005311000000000, 0.0001641300000000, -0.0003816400000000 ] - [ 0.0002980300000000, -0.0000447700000000, -0.0000627000000000 ] - [ -0.0039967200000000, 0.0003419200000000, -0.0043219100000000 ] - [ -0.0001902500000000, -0.0000352000000000, 0.0002749600000000 ] - [ -0.0001870800000000, 0.0000828800000000, -0.0001881500000000 ] - [ 0.0001171900000000, -0.0001416400000000, -0.0000714900000000 ] - [ 0.0000529100000000, 0.0000343600000000, 0.0000964400000000 ] - [ 0.0001451200000000, -0.0000120000000000, -0.0000327100000000 ] - [ 0.0001875600000000, -0.0000804000000000, -0.0001981400000000 ] - [ -0.0033016900000000, 0.0043147000000000, 0.0073624000000000 ] - [ 0.0001559100000000, 0.0000042200000000, 0.0000668300000000 ] - [ -0.0004414000000000, -0.0001050100000000, -0.0002512800000000 ] - [ 0.0000078700000000, -0.0002552300000000, -0.0001667200000000 ] - [ -0.0003207200000000, -0.0001826600000000, -0.0001203300000000 ] - [ -0.0002886100000000, 0.0003861500000000, 0.0008919900000000 ] - [ -0.0000859300000000, -0.0000178200000000, 0.0000583100000000 ] - [ -0.0002983500000000, 0.0000573100000000, -0.0000549100000000 ] - [ -0.0193701000000000, -0.0147803500000000, -0.0292812500000000 ] - [ -0.0001045200000000, 0.0002875100000000, -0.0000112400000000 ] - [ 0.0042998500000000, -0.0042483700000000, 0.0084515600000000 ] - [ 0.0006457400000000, -0.0003783200000000, 0.0001197100000000 ] - [ -0.0002356500000000, 0.0000581900000000, 0.0001594700000000 ] - [ -0.0003121300000000, 0.0001977100000000, -0.0001475500000000 ] - [ -0.0003133000000000, 0.0002923200000000, -0.0001400800000000 ] - [ -0.0002185400000000, -0.0000639600000000, 0.0002607900000000 ] - [ -0.0003217400000000, 0.0000353200000000, -0.0000818800000000 ] - [ 0.0006004300000000, 0.0003662100000000, 0.0005752900000000 ] - [ 0.0016501100000000, -0.0004783200000000, -0.0012558500000000 ] - [ 0.0000270300000000, 0.0001200500000000, -0.0002105400000000 ] - [ -0.0002465300000000, -0.0001288600000000, 0.0000296900000000 ] - [ -0.0000542300000000, -0.0000942100000000, -0.0000205000000000 ] - [ 0.0001829000000000, -0.0000355600000000, 0.0000166700000000 ] - [ 0.0000525200000000, -0.0001326400000000, 0.0001042600000000 ] - [ -0.0002119900000000, 0.0000529100000000, -0.0000018900000000 ] - [ -0.0000042700000000, 0.0000116300000000, 0.0001350800000000 ] - [ 0.0141775600000000, 0.0097800400000000, -0.0071225900000000 ] - [ 0.0014870000000000, -0.0009396600000000, -0.0006904400000000 ] - [ -0.0038226900000000, -0.0171080900000000, -0.0012245000000000 ] - [ 0.0254263300000000, 0.0351944500000000, 0.1882638400000000 ] - [ -0.0000455500000000, 0.0003460700000000, 0.0000419700000000 ] - [ -0.0001532700000000, 0.0000162900000000, 0.0003252500000000 ] - [ -0.0002391100000000, 0.0000034400000000, -0.0001251600000000 ] - [ 0.0000704300000000, 0.0001175900000000, 0.0001138600000000 ] - [ -0.0106406300000000, -0.0024229100000000, -0.0004533900000000 ] - [ -0.0009667800000000, 0.0001930700000000, 0.0002088000000000 ] - [ -0.0000609100000000, -0.0000308400000000, -0.0001017000000000 ] - [ -0.0000079500000000, 0.0001426600000000, 0.0000413300000000 ] - [ 0.0002771700000000, -0.0000401300000000, 0.0003007200000000 ] - [ -0.0000039100000000, -0.0001392400000000, 0.0000348600000000 ] - [ -0.0002856300000000, 0.0000067200000000, 0.0000631900000000 ] - [ 0.0005324000000000, -0.0002712100000000, 0.0001508200000000 ] - [ -0.0002832100000000, 0.0005858500000000, -0.0002767300000000 ] - [ 0.0014460500000000, 0.0002662700000000, 0.0012306800000000 ] - [ 0.0003902900000000, 0.0003501100000000, -0.0001671200000000 ] - [ 0.0000099300000000, 0.0001222500000000, 0.0000350000000000 ] - [ -0.0002328400000000, -0.0000505400000000, -0.0001033300000000 ] - [ -0.0002673000000000, -0.0000437100000000, -0.0000493900000000 ] - [ 0.0000537200000000, 0.0000298900000000, -0.0000998400000000 ] - [ -0.0003731000000000, 0.0002606500000000, 0.0003420000000000 ] - [ -0.0004014100000000, -0.0003450200000000, -0.0001887500000000 ] - [ -0.0001088300000000, -0.0000481800000000, 0.0002213300000000 ] - [ -0.0010806300000000, -0.0003507200000000, -0.0006281200000000 ] - [ -0.0001936200000000, 0.0000358800000000, 0.0003128800000000 ] - [ -0.0013259400000000, -0.0017524600000000, -0.0136551100000000 ] - [ 0.0002641200000000, 0.0000446700000000, -0.0000479000000000 ] - [ 0.0006333600000000, -0.0014776400000000, -0.0000755400000000 ] - [ 0.0002824700000000, -0.0000243800000000, 0.0000646000000000 ] - [ -0.0000739500000000, 0.0000068700000000, 0.0000558700000000 ] - [ 0.0002972300000000, 0.0008251900000000, -0.0003278300000000 ] - [ 0.0004297000000000, -0.0014140900000000, -0.0179107800000000 ] - [ 0.0002190000000000, -0.0000702600000000, -0.0001559900000000 ] - [ -0.0004688500000000, 0.0014004200000000, -0.0003673500000000 ] - [ 0.0000563600000000, 0.0004287200000000, 0.0001228600000000 ] - [ 0.0000544800000000, 0.0000830400000000, -0.0000253300000000 ] - [ 0.0003162300000000, -0.0000691900000000, -0.0000811300000000 ] - [ -0.0009108400000000, 0.0018239100000000, -0.0021857100000000 ] - [ -0.0000847400000000, -0.0003795900000000, 0.0000862600000000 ] - [ 0.0000087700000000, 0.0000726200000000, 0.0001695800000000 ] - [ 0.0007842500000000, 0.0001204100000000, 0.0006187500000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003984400000000, 0.0000596600000000, 0.0000046000000000 ] - [ -0.0025202900000000, 0.0008475500000000, 0.0001851100000000 ] - [ -0.0001150800000000, 0.0000239300000000, -0.0001367800000000 ] - [ 0.0005360300000000, 0.0000305100000000, -0.0001007500000000 ] - [ 0.0003303300000000, 0.0000439600000000, -0.0000172800000000 ] - [ 0.0066315700000000, -0.0019063200000000, -0.0001525700000000 ] - [ -0.0061137100000000, -0.0020091300000000, 0.0000474400000000 ] - [ 0.0043930300000000, 0.0059439100000000, -0.0003225700000000 ] - [ 0.0003616300000000, -0.0000241000000000, -0.0000804300000000 ] - [ -0.0023888200000000, -0.0006614700000000, -0.0009040100000000 ] - [ 0.0003016800000000, -0.0000266700000000, 0.0000978900000000 ] - [ 0.0614477300000000, -0.0139911300000000, 0.0333755900000000 ] - [ -0.0021652800000000, -0.0006285600000000, 0.0008714700000000 ] - [ 0.0689117300000000, -0.0188765000000000, -0.0373911800000000 ] - [ -0.0005615900000000, -0.0004244200000000, 0.0004599500000000 ] - [ -0.0005297000000000, -0.0004234400000000, -0.0004335000000000 ] - [ 0.0013526200000000, 0.0010260300000000, 0.0000494600000000 ] - [ -0.0002342300000000, -0.0002572300000000, -0.0000188600000000 ] - [ 0.0013991500000000, -0.0008124900000000, 0.0000167300000000 ] - [ 0.0004769300000000, -0.0002548600000000, -0.0001313100000000 ] - [ -0.0007035100000000, 0.0008436800000000, -0.0000926600000000 ] - [ -0.0099130600000000, 0.0060742800000000, -0.0067774900000000 ] - [ -0.0003302500000000, -0.0005090700000000, -0.0000685800000000 ] - [ -0.0104074700000000, -0.0019405900000000, 0.0011225300000000 ] - [ -0.0000664500000000, -0.0091333100000000, 0.0042938000000000 ] - [ -0.0169882300000000, 0.0008990100000000, 0.0012952900000000 ] - [ 0.0011584200000000, 0.0007906200000000, -0.0001986300000000 ] - [ -0.0081964400000000, -0.0026673300000000, -0.0003487300000000 ] - [ -0.0035891500000000, 0.0021881000000000, 0.0015122800000000 ] - [ 0.0006303500000000, -0.0011950600000000, 0.0001098400000000 ] - [ -0.0066577500000000, 0.0113588900000000, 0.0028500200000000 ] - [ -0.0001610500000000, -0.0000056500000000, 0.0000867600000000 ] - [ 0.0000551900000000, -0.0004076300000000, 0.0000215900000000 ] - [ -0.0001814500000000, -0.0001814300000000, -0.0001495100000000 ] - [ 0.0037184000000000, -0.0023522000000000, -0.0007499000000000 ] - [ 0.0003797300000000, -0.0001539300000000, 0.0001078400000000 ] - [ 0.0043293700000000, 0.0045331800000000, 0.0000763700000000 ] - [ 0.0000060600000000, 0.0000209900000000, 0.0000829000000000 ] - [ 0.2131893600000000, 0.0729272600000000, 0.0048508800000000 ] - [ -0.0004561500000000, 0.0001657000000000, 0.0002701000000000 ] - [ 0.0030397400000000, -0.0019086400000000, 0.0001540300000000 ] - [ -0.0006527000000000, 0.0003651400000000, -0.0000790600000000 ] - [ -0.0005817000000000, -0.0033227600000000, 0.0008060300000000 ] - [ -0.0002760400000000, 0.0003927600000000, -0.0000590500000000 ] - [ -0.0110917500000000, -0.0095772200000000, 0.0011006600000000 ] - [ 0.0013462400000000, 0.0020154100000000, 0.0003235700000000 ] - [ 0.0189806700000000, -0.0060764000000000, -0.0016339800000000 ] - [ -0.0017257300000000, 0.0036501400000000, -0.0011102300000000 ] - [ 0.0061310200000000, 0.0003354100000000, 0.0026328600000000 ] - [ 0.0044794100000000, -0.0055173600000000, -0.0024334000000000 ] - [ -0.0006855500000000, -0.0013721100000000, -0.0000958300000000 ] - [ 0.0003542200000000, -0.0002735800000000, 0.0002946600000000 ] - [ -0.0041459300000000, -0.0003398800000000, 0.0000102300000000 ] - [ -0.0014833900000000, -0.0043303900000000, 0.0000143100000000 ] - [ 0.0391969600000000, -0.0252869900000000, 0.0005393900000000 ] - [ -0.0000321600000000, -0.0004343500000000, -0.0000004200000000 ] - [ 0.0003371500000000, -0.0000785800000000, 0.0000099100000000 ] - [ -0.0000853100000000, -0.0001635800000000, 0.0000261600000000 ] - [ -0.0021890400000000, 0.0029168100000000, -0.0000532400000000 ] - [ -0.0001226400000000, 0.0000911800000000, 0.0001020200000000 ] - [ 0.0002693400000000, 0.0041909700000000, -0.0010185600000000 ] - [ -0.0005116200000000, 0.0008126200000000, -0.0000897200000000 ] - [ 0.0040363200000000, 0.0024547800000000, 0.0013402300000000 ] - [ 0.0013458900000000, 0.0012395700000000, -0.0000191100000000 ] - [ -0.4232902100000000, -0.0279665700000000, 0.0008405700000000 ] - [ 0.0129049600000000, 0.0094053500000000, -0.0127817100000000 ] - [ 0.0226342300000000, -0.0062420700000000, 0.0074463300000000 ] - [ -0.0142510300000000, -0.0053988500000000, 0.0004854000000000 ] - [ -0.0016486000000000, 0.0011687500000000, 0.0003200800000000 ] - [ -0.0013371600000000, -0.0003995700000000, -0.0001545000000000 ] - [ 0.0000235500000000, 0.0004843600000000, -0.0001578000000000 ] - [ -0.0001214500000000, 0.0003242000000000, 0.0000172900000000 ] - [ 0.0001696300000000, 0.0000056700000000, 0.0003224000000000 ] - [ 0.0006717900000000, 0.0001867100000000, -0.0000102900000000 ] - [ -0.0006250800000000, 0.0008142400000000, 0.0001004100000000 ] - [ -0.0001633400000000, -0.0015730300000000, -0.0000204700000000 ] - [ 0.0116578500000000, 0.0010064400000000, 0.0014769800000000 ] - [ 0.0006764300000000, 0.0002896200000000, 0.0000842200000000 ] - [ 0.0006222600000000, 0.0003098000000000, -0.0001867400000000 ] - [ 0.0029924500000000, 0.0032757500000000, -0.0011922800000000 ] - [ -0.0043435400000000, 0.0030712900000000, -0.0008378200000000 ] - [ -0.0013768800000000, 0.0001210600000000, -0.0001158900000000 ] - [ 0.0002489700000000, 0.0002990500000000, -0.0000643700000000 ] - [ 0.0001107100000000, 0.0001215500000000, 0.0002220400000000 ] - [ -0.0025827500000000, -0.0007739300000000, 0.0001011100000000 ] - [ 0.0019983500000000, 0.0160713900000000, 0.0041627000000000 ] - [ 0.0005312600000000, -0.0008646200000000, 0.0002435500000000 ] - [ 0.0002633800000000, -0.0016726300000000, 0.0004632700000000 ] - [ 0.0008888100000000, -0.0006682300000000, 0.0000359400000000 ] - [ 0.0006260100000000, -0.0000230100000000, -0.0000561200000000 ] - [ 0.0068677700000000, 0.0022870600000000, -0.0019232900000000 ] - [ 0.0004869800000000, 0.0001047700000000, 0.0000621300000000 ] - [ 0.0034397400000000, -0.0003966300000000, -0.0001933600000000 ] - [ 0.0000760000000000, 0.0003002200000000, -0.0000651400000000 ] - [ 0.0003488500000000, 0.0004142300000000, 0.0000694000000000 ] - [ 0.0004286500000000, -0.0000468900000000, -0.0001817600000000 ] - [ 0.0063981700000000, 0.0007996600000000, -0.0010433100000000 ] - [ -0.0000650300000000, 0.0004201800000000, 0.0000912000000000 ] - [ -0.0001738800000000, -0.0004933700000000, -0.0001102200000000 ] - [ 0.0003451600000000, -0.0001470000000000, -0.0000877400000000 ] - [ 0.0092498500000000, 0.0040940000000000, -0.0014933400000000 ] - [ 0.0023619600000000, -0.0010054400000000, 0.0003313600000000 ] - [ 0.0020464300000000, -0.0053716300000000, -0.0000617800000000 ] - [ 0.0080441200000000, -0.0010495200000000, -0.0006136300000000 ]- atom: 65 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003993500000000, -0.0001891000000000, -0.0000249700000000 ] - [ 0.0025322500000000, -0.0009912500000000, -0.0002048600000000 ] - [ 0.0002753500000000, 0.0001212700000000, -0.0001150600000000 ] - [ -0.0003810000000000, -0.0001758700000000, -0.0001517100000000 ] - [ -0.0003300100000000, 0.0000825800000000, -0.0000023800000000 ] - [ -0.0066425300000000, 0.0017643200000000, 0.0001636200000000 ] - [ 0.0059711200000000, 0.0021858800000000, -0.0003012600000000 ] - [ -0.0045262200000000, -0.0061267700000000, 0.0000715900000000 ] - [ 0.0000594200000000, 0.0001186200000000, -0.0000858900000000 ] - [ 0.0019660200000000, 0.0005709000000000, 0.0007361400000000 ] - [ -0.0000088300000000, 0.0001179400000000, 0.0001070100000000 ] - [ -0.0601106700000000, 0.0131682100000000, -0.0309747700000000 ] - [ 0.0018695900000000, 0.0005413900000000, -0.0006646500000000 ] - [ -0.0674896600000000, 0.0178580500000000, 0.0348292600000000 ] - [ 0.0008591500000000, 0.0003304200000000, -0.0002554700000000 ] - [ 0.0009552700000000, 0.0003264900000000, 0.0002675300000000 ] - [ -0.0011268600000000, -0.0015798800000000, -0.0000987900000000 ] - [ 0.0000945000000000, 0.0007063700000000, 0.0000927300000000 ] - [ -0.0011877900000000, 0.0008711300000000, 0.0000889100000000 ] - [ 0.0001215500000000, -0.0000019200000000, -0.0000723000000000 ] - [ 0.0013035900000000, -0.0005938700000000, -0.0001109400000000 ] - [ 0.0101563400000000, -0.0055152600000000, 0.0068049900000000 ] - [ 0.0000895600000000, 0.0005266400000000, -0.0000107800000000 ] - [ 0.0102354400000000, 0.0018921600000000, -0.0010212200000000 ] - [ 0.0001999500000000, 0.0095842200000000, -0.0042322600000000 ] - [ 0.0171985100000000, -0.0013570700000000, -0.0012183600000000 ] - [ -0.0005763700000000, -0.0009044600000000, 0.0000860400000000 ] - [ 0.0078340800000000, 0.0024651500000000, -0.0000308500000000 ] - [ 0.0032077800000000, -0.0023933900000000, -0.0012106700000000 ] - [ -0.0010239600000000, 0.0013980300000000, -0.0004902600000000 ] - [ 0.0072793600000000, -0.0113388500000000, -0.0029929200000000 ] - [ 0.0003730100000000, -0.0000477700000000, 0.0000174500000000 ] - [ 0.0001804900000000, 0.0003884600000000, -0.0001012700000000 ] - [ 0.0005756800000000, -0.0000260700000000, -0.0002291600000000 ] - [ -0.0033151700000000, 0.0025650600000000, 0.0003664700000000 ] - [ 0.0000097200000000, 0.0003667700000000, 0.0001951200000000 ] - [ -0.0049611100000000, -0.0046793500000000, -0.0001886800000000 ] - [ -0.0001514900000000, -0.0004726000000000, -0.0000091400000000 ] - [ -0.2260964900000000, -0.0788218100000000, -0.0055613300000000 ] - [ 0.0008470500000000, -0.0003808300000000, 0.0000321100000000 ] - [ -0.0032589600000000, 0.0019448700000000, -0.0000477900000000 ] - [ 0.0000747400000000, -0.0002547400000000, -0.0000322100000000 ] - [ 0.0008290600000000, 0.0033329500000000, -0.0008860500000000 ] - [ 0.0000665400000000, 0.0001584300000000, 0.0000095500000000 ] - [ 0.0108927900000000, 0.0095912900000000, -0.0011902500000000 ] - [ -0.0015754500000000, -0.0025852400000000, -0.0003756500000000 ] - [ -0.0195768900000000, 0.0063178800000000, 0.0019305200000000 ] - [ 0.0011320400000000, -0.0033879400000000, 0.0009037400000000 ] - [ -0.0066400100000000, -0.0001101300000000, -0.0028764400000000 ] - [ -0.0047645700000000, 0.0057013900000000, 0.0028998800000000 ] - [ 0.0000799400000000, 0.0015131700000000, -0.0000698700000000 ] - [ -0.0000657100000000, 0.0004794800000000, 0.0001836400000000 ] - [ 0.0046832800000000, 0.0002335800000000, -0.0001113600000000 ] - [ 0.0013865200000000, 0.0045340500000000, -0.0000658700000000 ] - [ -0.0389443400000000, 0.0246503500000000, -0.0004487600000000 ] - [ -0.0000840300000000, 0.0002670000000000, -0.0000492500000000 ] - [ 0.0000806700000000, 0.0000271400000000, -0.0000102200000000 ] - [ 0.0001569000000000, -0.0000856300000000, 0.0000472200000000 ] - [ 0.0017786200000000, -0.0028682300000000, 0.0000517900000000 ] - [ 0.0003221600000000, -0.0001467100000000, 0.0000663300000000 ] - [ -0.0001631400000000, -0.0042630900000000, 0.0008260200000000 ] - [ 0.0009284300000000, -0.0007612100000000, 0.0000902400000000 ] - [ -0.0041687600000000, -0.0023832200000000, -0.0015508200000000 ] - [ -0.0013161200000000, -0.0014949900000000, 0.0000890000000000 ] - [ 0.4322949900000000, 0.0372434500000000, -0.0000693300000000 ] - [ -0.0134371300000000, -0.0096894300000000, 0.0136318600000000 ] - [ -0.0236859700000000, 0.0061791300000000, -0.0077889900000000 ] - [ 0.0140166600000000, 0.0054576000000000, -0.0003123000000000 ] - [ 0.0022103800000000, -0.0011911800000000, -0.0001927700000000 ] - [ 0.0021021800000000, -0.0003378200000000, -0.0002194000000000 ] - [ -0.0001380100000000, -0.0005543100000000, -0.0000430900000000 ] - [ 0.0001591800000000, -0.0000666000000000, 0.0000534100000000 ] - [ 0.0002014700000000, -0.0000838400000000, 0.0003100100000000 ] - [ -0.0007046100000000, -0.0004468100000000, 0.0000807400000000 ] - [ 0.0000556800000000, -0.0008300300000000, 0.0000255300000000 ] - [ 0.0007718000000000, 0.0017271300000000, -0.0001456200000000 ] - [ -0.0124574000000000, -0.0002897700000000, -0.0018780200000000 ] - [ -0.0004788200000000, -0.0002325100000000, 0.0000843700000000 ] - [ 0.0001258600000000, 0.0004191400000000, -0.0001862900000000 ] - [ -0.0030535600000000, -0.0030315200000000, 0.0012665200000000 ] - [ 0.0038788300000000, -0.0032975400000000, 0.0005987800000000 ] - [ 0.0008662700000000, -0.0002181800000000, 0.0000166300000000 ] - [ -0.0001303300000000, -0.0002269200000000, -0.0001372000000000 ] - [ 0.0001767100000000, -0.0003231400000000, 0.0002564000000000 ] - [ 0.0018301600000000, 0.0000603500000000, -0.0004751700000000 ] - [ -0.0022292800000000, -0.0164120700000000, -0.0036743100000000 ] - [ -0.0001591800000000, 0.0009493600000000, 0.0003904700000000 ] - [ -0.0006423300000000, 0.0017456100000000, 0.0001688500000000 ] - [ -0.0006835300000000, -0.0000407900000000, 0.0001300200000000 ] - [ -0.0001158900000000, 0.0001225100000000, -0.0000437300000000 ] - [ -0.0073006400000000, -0.0023435200000000, 0.0019252600000000 ] - [ 0.0000866800000000, -0.0000847000000000, 0.0000636100000000 ] - [ -0.0036391000000000, 0.0004450500000000, 0.0003616600000000 ] - [ 0.0004248000000000, -0.0005329100000000, -0.0001844300000000 ] - [ -0.0002833700000000, -0.0001623400000000, 0.0000037000000000 ] - [ 0.0000723000000000, 0.0002809100000000, -0.0000680600000000 ] - [ -0.0070014100000000, -0.0007827500000000, 0.0011803000000000 ] - [ 0.0002726900000000, 0.0002967100000000, 0.0000744300000000 ] - [ 0.0002862500000000, 0.0006643500000000, 0.0000603900000000 ] - [ 0.0002549700000000, 0.0000060700000000, -0.0000769300000000 ] - [ -0.0093587300000000, -0.0038786600000000, 0.0015557300000000 ] - [ -0.0025694000000000, 0.0002867900000000, -0.0001645600000000 ] - [ -0.0019356200000000, 0.0052437900000000, 0.0000159800000000 ] - [ -0.0086032500000000, 0.0011650000000000, 0.0005231400000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000356600000000, -0.0018769300000000, -0.0000756800000000 ] - [ 0.0003024400000000, 0.0015051300000000, 0.0001679600000000 ] - [ -0.0001029200000000, -0.0017280200000000, -0.0001475100000000 ] - [ 0.0005521100000000, -0.0026816800000000, 0.0000331100000000 ] - [ 0.0001417200000000, -0.0022665100000000, 0.0000753200000000 ] - [ -0.0011472900000000, 0.0467285700000000, -0.0041913300000000 ] - [ -0.0024153600000000, 0.0033897800000000, 0.0000391400000000 ] - [ 0.0028366500000000, -0.0057866500000000, -0.0002344600000000 ] - [ 0.0004596700000000, -0.0015697800000000, 0.0000372800000000 ] - [ -0.0013427100000000, -0.0009906000000000, -0.0009306200000000 ] - [ 0.0004092000000000, -0.0015705100000000, -0.0000052600000000 ] - [ -0.0125922700000000, 0.0342599600000000, -0.0144492200000000 ] - [ -0.0012338000000000, -0.0008715600000000, 0.0009098400000000 ] - [ -0.0178380500000000, 0.0368504100000000, 0.0177752700000000 ] - [ -0.0002806000000000, -0.0007604700000000, 0.0000856000000000 ] - [ -0.0001742700000000, -0.0008426300000000, -0.0000959200000000 ] - [ 0.0016565600000000, -0.0021243800000000, -0.0000970900000000 ] - [ -0.0010998300000000, -0.0027531100000000, 0.0002163200000000 ] - [ -0.0012472400000000, -0.0038978400000000, -0.0002983400000000 ] - [ 0.0002132900000000, -0.0025640700000000, -0.0001770100000000 ] - [ 0.0013005200000000, -0.0016978200000000, 0.0000827900000000 ] - [ -0.0017966600000000, 0.0108993600000000, 0.0036333100000000 ] - [ -0.0007958200000000, -0.0024162200000000, -0.0001174700000000 ] - [ -0.0003463300000000, 0.0043543700000000, -0.0007074900000000 ] - [ -0.0017423700000000, -0.0078019200000000, 0.0034746500000000 ] - [ 0.0054988500000000, 0.0009687700000000, -0.0006900100000000 ] - [ 0.0011995700000000, -0.0021798200000000, -0.0001383300000000 ] - [ -0.0005750800000000, 0.0047141600000000, 0.0000825300000000 ] - [ -0.0001499000000000, 0.0009718400000000, -0.0004411100000000 ] - [ -0.0000463900000000, -0.0032255600000000, -0.0000116600000000 ] - [ 0.0034179500000000, 0.0033498900000000, -0.0001553800000000 ] - [ 0.0002450500000000, -0.0022220400000000, 0.0000654700000000 ] - [ 0.0000473000000000, -0.0026223300000000, 0.0001750100000000 ] - [ 0.0000553100000000, -0.0023259700000000, -0.0001474400000000 ] - [ -0.0034381800000000, -0.0025361000000000, 0.0011147000000000 ] - [ -0.0000339300000000, -0.0025653200000000, -0.0000656000000000 ] - [ 0.0060593400000000, 0.0001943700000000, 0.0008662100000000 ] - [ 0.0002164400000000, -0.0026106300000000, 0.0000120800000000 ] - [ 0.0720842700000000, 0.0613826600000000, 0.0004556100000000 ] - [ 0.0006274800000000, -0.0023266600000000, 0.0001336700000000 ] - [ 0.0009653100000000, -0.0039752900000000, -0.0001753000000000 ] - [ 0.0000079500000000, -0.0022105600000000, -0.0000494100000000 ] - [ -0.0039050700000000, 0.0008713400000000, 0.0000155900000000 ] - [ -0.0002923400000000, -0.0020696800000000, -0.0000825600000000 ] - [ -0.0048570400000000, 0.0010709100000000, -0.0001621500000000 ] - [ 0.0027795000000000, -0.0017851700000000, -0.0000887400000000 ] - [ -0.0050483800000000, 0.0005803200000000, -0.0053113700000000 ] - [ -0.0003114000000000, -0.0003976400000000, -0.0001995200000000 ] - [ -0.0021183500000000, -0.0021816700000000, -0.0014366500000000 ] - [ -0.0012633800000000, 0.0001797900000000, 0.0004971800000000 ] - [ -0.0005984200000000, 0.0014184900000000, -0.0002022100000000 ] - [ -0.0000840600000000, 0.0020686900000000, 0.0003066800000000 ] - [ -0.0012932900000000, 0.0026968300000000, 0.0002722500000000 ] - [ -0.0037829400000000, -0.0004511100000000, -0.0001112300000000 ] - [ -0.0217073900000000, -0.0022434400000000, 0.0004578600000000 ] - [ -0.0005401700000000, 0.0020232500000000, 0.0000094000000000 ] - [ -0.0000753200000000, 0.0019768400000000, -0.0000438500000000 ] - [ 0.0000786900000000, 0.0015357700000000, 0.0000435100000000 ] - [ -0.0006701300000000, 0.0037403800000000, -0.0000531600000000 ] - [ -0.0003661800000000, 0.0019504600000000, 0.0001138000000000 ] - [ 0.0029265300000000, -0.0008693800000000, 0.0005034100000000 ] - [ 0.0012849100000000, 0.0024432000000000, 0.0000075500000000 ] - [ 0.0022274900000000, -0.0021210600000000, 0.0001609900000000 ] - [ 0.0014819400000000, 0.0004585000000000, 0.0000505600000000 ] - [ -0.0322275500000000, -0.1640723400000000, 0.0006135200000000 ] - [ 0.0087773900000000, -0.0098632700000000, -0.0027002600000000 ] - [ -0.0066566100000000, -0.0087670000000000, -0.0036508700000000 ] - [ -0.0058324100000000, -0.0000285900000000, 0.0006217400000000 ] - [ 0.0042953500000000, 0.0028157500000000, -0.0004938200000000 ] - [ -0.0007966900000000, 0.0035734800000000, -0.0002788900000000 ] - [ 0.0006121900000000, 0.0021777300000000, -0.0004117000000000 ] - [ -0.0006916800000000, 0.0023213000000000, 0.0000125200000000 ] - [ 0.0008988600000000, 0.0018576400000000, 0.0002278600000000 ] - [ 0.0001593100000000, 0.0014174200000000, -0.0000332800000000 ] - [ 0.0001497400000000, 0.0022787100000000, 0.0002844800000000 ] - [ -0.0015327200000000, 0.0010898100000000, -0.0000251300000000 ] - [ 0.0000475300000000, -0.0033088500000000, -0.0011481100000000 ] - [ 0.0003196300000000, 0.0012278700000000, 0.0000840200000000 ] - [ 0.0001628700000000, 0.0017936500000000, -0.0000964100000000 ] - [ 0.0032396000000000, 0.0022815400000000, -0.0010939300000000 ] - [ 0.0002126500000000, 0.0031512600000000, 0.0002249200000000 ] - [ -0.0010945000000000, 0.0015729600000000, -0.0000485700000000 ] - [ 0.0006150400000000, 0.0019149900000000, 0.0001873000000000 ] - [ 0.0002308000000000, 0.0023260700000000, 0.0002624700000000 ] - [ -0.0018756300000000, 0.0018016100000000, -0.0003218000000000 ] - [ 0.0143029800000000, 0.0094768100000000, 0.0068292600000000 ] - [ -0.0011267500000000, 0.0016939800000000, 0.0001386200000000 ] - [ -0.0006405100000000, 0.0003574100000000, 0.0003074600000000 ] - [ -0.0002165700000000, -0.0001177100000000, 0.0000523300000000 ] - [ 0.0000028600000000, 0.0013188000000000, -0.0000754000000000 ] - [ -0.0020784200000000, -0.0043029600000000, 0.0009303100000000 ] - [ 0.0006424600000000, 0.0017401000000000, -0.0001297000000000 ] - [ 0.0004545400000000, -0.0002505000000000, 0.0002890300000000 ] - [ 0.0007972600000000, 0.0027047600000000, -0.0001406800000000 ] - [ 0.0005902100000000, 0.0013741900000000, -0.0000250600000000 ] - [ -0.0000123800000000, 0.0021859400000000, -0.0001475200000000 ] - [ 0.0019610000000000, -0.0030684100000000, -0.0000974100000000 ] - [ 0.0000373800000000, 0.0021909000000000, 0.0000739500000000 ] - [ -0.0007098600000000, 0.0020831400000000, -0.0000559300000000 ] - [ 0.0007706700000000, 0.0019318200000000, -0.0000154000000000 ] - [ 0.0064188900000000, -0.0090244000000000, -0.0013877600000000 ] - [ 0.0005463500000000, 0.0006933800000000, 0.0001474800000000 ] - [ -0.0028833500000000, -0.0041037400000000, 0.0004823000000000 ] - [ -0.0015975100000000, -0.0019091600000000, -0.0001735200000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000354800000000, 0.0017383500000000, 0.0000554200000000 ] - [ -0.0002993400000000, -0.0016131500000000, -0.0001852900000000 ] - [ 0.0002603600000000, 0.0018687000000000, -0.0001032500000000 ] - [ -0.0003896900000000, 0.0025223200000000, -0.0002821700000000 ] - [ -0.0001415000000000, 0.0023872100000000, -0.0000943400000000 ] - [ 0.0011017900000000, -0.0443152600000000, 0.0039376400000000 ] - [ 0.0022545500000000, -0.0032541000000000, -0.0002946300000000 ] - [ -0.0030226100000000, 0.0056668700000000, -0.0000128600000000 ] - [ -0.0000370100000000, 0.0016571100000000, -0.0002053400000000 ] - [ 0.0009244700000000, 0.0008914600000000, 0.0007613100000000 ] - [ -0.0001147600000000, 0.0016543000000000, 0.0002118800000000 ] - [ 0.0125198400000000, -0.0339458900000000, 0.0148434600000000 ] - [ 0.0009421700000000, 0.0007749300000000, -0.0007016000000000 ] - [ 0.0177274200000000, -0.0365680600000000, -0.0181990700000000 ] - [ 0.0005709600000000, 0.0006720400000000, 0.0001188500000000 ] - [ 0.0005937100000000, 0.0007500000000000, -0.0000702600000000 ] - [ -0.0014519300000000, 0.0015623600000000, 0.0000474800000000 ] - [ 0.0009465800000000, 0.0031869000000000, -0.0001401700000000 ] - [ 0.0014339000000000, 0.0039134600000000, 0.0003980600000000 ] - [ 0.0003832000000000, 0.0022971400000000, -0.0000270600000000 ] - [ -0.0006933700000000, 0.0019505100000000, -0.0002853700000000 ] - [ 0.0019821900000000, -0.0103065300000000, -0.0037191300000000 ] - [ 0.0005590500000000, 0.0024246700000000, 0.0000372800000000 ] - [ 0.0001306800000000, -0.0044005100000000, 0.0008131700000000 ] - [ 0.0018942500000000, 0.0082507500000000, -0.0034120000000000 ] - [ -0.0053013800000000, -0.0014164500000000, 0.0007589200000000 ] - [ -0.0006227500000000, 0.0020580000000000, 0.0000258800000000 ] - [ 0.0001756700000000, -0.0049035100000000, -0.0004686800000000 ] - [ -0.0002339400000000, -0.0011924400000000, 0.0007414800000000 ] - [ -0.0003452500000000, 0.0034229300000000, -0.0003682300000000 ] - [ -0.0028318100000000, -0.0031537100000000, 0.0000622700000000 ] - [ -0.0000381900000000, 0.0021638500000000, 0.0000387100000000 ] - [ 0.0001914200000000, 0.0025945900000000, -0.0002545400000000 ] - [ 0.0003363600000000, 0.0021122500000000, -0.0002312700000000 ] - [ 0.0037870800000000, 0.0027370300000000, -0.0014765000000000 ] - [ 0.0004176100000000, 0.0027648500000000, 0.0003666500000000 ] - [ -0.0065700600000000, -0.0002842700000000, -0.0009702100000000 ] - [ -0.0003567200000000, 0.0021548400000000, 0.0000621700000000 ] - [ -0.0739958600000000, -0.0612465000000000, -0.0006920900000000 ] - [ -0.0002367900000000, 0.0021071600000000, 0.0001684200000000 ] - [ -0.0011754500000000, 0.0040183800000000, 0.0002799600000000 ] - [ -0.0005830100000000, 0.0023123100000000, -0.0000626900000000 ] - [ 0.0040994500000000, -0.0008281200000000, -0.0001025900000000 ] - [ 0.0000850900000000, 0.0026108600000000, 0.0000320300000000 ] - [ 0.0046545500000000, -0.0010021600000000, 0.0000728100000000 ] - [ -0.0029486900000000, 0.0012322400000000, 0.0000388700000000 ] - [ 0.0046592300000000, -0.0004138500000000, 0.0056186600000000 ] - [ -0.0002866900000000, 0.0006411200000000, -0.0000030900000000 ] - [ 0.0016140900000000, 0.0024135200000000, 0.0011852900000000 ] - [ 0.0009684300000000, 0.0000377600000000, -0.0000138800000000 ] - [ -0.0000007900000000, -0.0012680300000000, 0.0000360200000000 ] - [ 0.0003680200000000, -0.0018608700000000, 0.0001717500000000 ] - [ 0.0017890600000000, -0.0027977700000000, -0.0003704500000000 ] - [ 0.0036261900000000, 0.0005945200000000, 0.0000583100000000 ] - [ 0.0217049200000000, 0.0020493000000000, -0.0003829200000000 ] - [ 0.0004240700000000, -0.0021836400000000, -0.0000595100000000 ] - [ 0.0004896000000000, -0.0020206900000000, 0.0000421700000000 ] - [ -0.0000051900000000, -0.0017780700000000, 0.0000299700000000 ] - [ 0.0002552700000000, -0.0036849000000000, 0.0000516200000000 ] - [ 0.0005561300000000, -0.0019942100000000, 0.0000552200000000 ] - [ -0.0027862700000000, 0.0007624000000000, -0.0006895200000000 ] - [ -0.0008593500000000, -0.0023828500000000, -0.0000083200000000 ] - [ -0.0023348900000000, 0.0021645100000000, -0.0003692400000000 ] - [ -0.0014278600000000, -0.0007223200000000, 0.0000223200000000 ] - [ 0.0328981800000000, 0.1616287300000000, -0.0000224500000000 ] - [ -0.0091429000000000, 0.0098579500000000, 0.0033316100000000 ] - [ 0.0061110900000000, 0.0085885100000000, 0.0035036900000000 ] - [ 0.0056812400000000, 0.0000082600000000, -0.0004470500000000 ] - [ -0.0036696900000000, -0.0028158600000000, 0.0006077600000000 ] - [ 0.0015273100000000, -0.0042594600000000, -0.0000976500000000 ] - [ -0.0007267300000000, -0.0022433600000000, 0.0002096200000000 ] - [ 0.0007328000000000, -0.0020566700000000, 0.0000588400000000 ] - [ -0.0005242200000000, -0.0019265100000000, 0.0004047700000000 ] - [ -0.0002071700000000, -0.0016648900000000, 0.0001047800000000 ] - [ -0.0007194400000000, -0.0022903000000000, -0.0001584300000000 ] - [ 0.0021197700000000, -0.0009503300000000, -0.0001384800000000 ] - [ -0.0007781600000000, 0.0040289100000000, 0.0007819100000000 ] - [ -0.0001297200000000, -0.0011719000000000, 0.0000846400000000 ] - [ 0.0005844100000000, -0.0010606200000000, -0.0002772100000000 ] - [ -0.0033165700000000, -0.0020264800000000, 0.0011721900000000 ] - [ -0.0007067400000000, -0.0033682300000000, -0.0004707000000000 ] - [ 0.0005827000000000, -0.0016715100000000, -0.0000505400000000 ] - [ -0.0004983000000000, -0.0018346700000000, -0.0003865900000000 ] - [ 0.0000579300000000, -0.0025176200000000, 0.0002161400000000 ] - [ 0.0011282100000000, -0.0025207600000000, -0.0000525400000000 ] - [ -0.0147871600000000, -0.0097970900000000, -0.0064849600000000 ] - [ 0.0014870800000000, -0.0016112900000000, 0.0004922600000000 ] - [ 0.0002721900000000, -0.0002710300000000, 0.0003263500000000 ] - [ 0.0004142300000000, -0.0006078400000000, 0.0001142100000000 ] - [ 0.0005076500000000, -0.0012086900000000, -0.0000240600000000 ] - [ 0.0016626100000000, 0.0042441500000000, -0.0009351500000000 ] - [ -0.0000707100000000, -0.0017153600000000, 0.0002546400000000 ] - [ -0.0006507400000000, 0.0003115500000000, -0.0001194300000000 ] - [ -0.0002929500000000, -0.0029209300000000, -0.0001094000000000 ] - [ -0.0005081500000000, -0.0011217600000000, 0.0000975500000000 ] - [ 0.0005097700000000, -0.0019477700000000, -0.0001012700000000 ] - [ -0.0025374500000000, 0.0030665700000000, 0.0002302800000000 ] - [ 0.0001641000000000, -0.0014641100000000, 0.0000925700000000 ] - [ 0.0008226900000000, -0.0019033400000000, 0.0000056500000000 ] - [ -0.0001665400000000, -0.0020643800000000, -0.0001500200000000 ] - [ -0.0065191200000000, 0.0092161200000000, 0.0014872900000000 ] - [ -0.0007492300000000, -0.0014042600000000, 0.0000188200000000 ] - [ 0.0029772700000000, 0.0038922700000000, -0.0005302000000000 ] - [ 0.0010887800000000, 0.0019903300000000, 0.0000727400000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000257900000000, -0.0000510700000000, -0.0000089000000000 ] - [ -0.0000163800000000, -0.0001569300000000, -0.0000373900000000 ] - [ 0.0000758700000000, 0.0000737900000000, -0.0001271400000000 ] - [ 0.0000849000000000, -0.0000838700000000, -0.0001538400000000 ] - [ 0.0000101100000000, 0.0000827800000000, -0.0000152800000000 ] - [ -0.0002953200000000, -0.0049173600000000, 0.0021635100000000 ] - [ 0.0002585300000000, -0.0000258800000000, 0.0007829100000000 ] - [ 0.0001514700000000, -0.0000045300000000, -0.0007452500000000 ] - [ 0.0002096800000000, 0.0000596800000000, -0.0000772700000000 ] - [ -0.0004564600000000, -0.0000391500000000, -0.0003183600000000 ] - [ 0.0001454200000000, 0.0000565600000000, 0.0000971300000000 ] - [ 0.0384414600000000, -0.0166940000000000, 0.0511842500000000 ] - [ -0.0003422200000000, 0.0000682700000000, 0.0003188800000000 ] - [ -0.0399805500000000, 0.0204124300000000, 0.0520403200000000 ] - [ 0.0001119900000000, -0.0000757900000000, 0.0001251700000000 ] - [ 0.0001746400000000, -0.0000742800000000, -0.0001019400000000 ] - [ 0.0001593100000000, -0.0002039500000000, -0.0000118300000000 ] - [ -0.0000490700000000, 0.0002116500000000, 0.0000033400000000 ] - [ 0.0003318900000000, 0.0000919000000000, 0.0000884600000000 ] - [ 0.0003135300000000, -0.0001184000000000, -0.0001056600000000 ] - [ 0.0002926200000000, 0.0001180400000000, -0.0002027400000000 ] - [ 0.0029408400000000, -0.0057541300000000, -0.0067440500000000 ] - [ -0.0000851400000000, -0.0000141200000000, -0.0000760000000000 ] - [ 0.0004094000000000, 0.0000440900000000, 0.0003295600000000 ] - [ 0.0007037400000000, -0.0010383300000000, 0.0025704100000000 ] - [ -0.0003448500000000, -0.0000995700000000, -0.0005282800000000 ] - [ 0.0003650600000000, 0.0000179900000000, -0.0000641800000000 ] - [ -0.0012702000000000, -0.0006626000000000, -0.0005867400000000 ] - [ -0.0001816500000000, -0.0000564500000000, 0.0003019500000000 ] - [ -0.0002095900000000, -0.0000037900000000, -0.0000520000000000 ] - [ 0.0003212600000000, 0.0030758100000000, 0.0027895800000000 ] - [ 0.0000904400000000, -0.0000166400000000, 0.0000588200000000 ] - [ 0.0001128700000000, -0.0000143800000000, -0.0000267200000000 ] - [ 0.0001773500000000, -0.0000959500000000, -0.0001938800000000 ] - [ 0.0000840600000000, -0.0000811000000000, -0.0003157600000000 ] - [ 0.0002202700000000, 0.0001176400000000, 0.0001602000000000 ] - [ -0.0003420000000000, -0.0004888400000000, -0.0010408600000000 ] - [ -0.0000848100000000, -0.0002134800000000, 0.0000258600000000 ] - [ 0.0062185300000000, 0.0023397800000000, 0.0268561300000000 ] - [ 0.0001367000000000, -0.0000738000000000, 0.0001918700000000 ] - [ -0.0000147800000000, 0.0002632500000000, -0.0002571900000000 ] - [ -0.0003069500000000, 0.0000892900000000, -0.0000614900000000 ] - [ 0.0003339900000000, -0.0003023900000000, -0.0000572800000000 ] - [ -0.0001038200000000, 0.0002967000000000, -0.0000251800000000 ] - [ -0.0005324100000000, -0.0003984400000000, 0.0016191500000000 ] - [ -0.0002155000000000, -0.0001214100000000, 0.0002360900000000 ] - [ -0.0038432500000000, 0.0041652900000000, -0.0063310900000000 ] - [ -0.0003668600000000, 0.0003751400000000, -0.0001924000000000 ] - [ -0.0004627000000000, 0.0000874600000000, -0.0002515100000000 ] - [ 0.0000927100000000, -0.0002838700000000, 0.0002064900000000 ] - [ -0.0003169600000000, -0.0000308800000000, -0.0000685800000000 ] - [ 0.0001533100000000, 0.0001160200000000, 0.0002409200000000 ] - [ 0.0004023700000000, 0.0005997000000000, -0.0000503700000000 ] - [ 0.0000841000000000, -0.0005245000000000, 0.0000032400000000 ] - [ 0.0003003700000000, -0.0009291100000000, -0.0013137000000000 ] - [ -0.0000603800000000, -0.0001181800000000, -0.0000205200000000 ] - [ 0.0002169900000000, -0.0000328400000000, 0.0000010300000000 ] - [ 0.0000410800000000, -0.0001354100000000, 0.0000381300000000 ] - [ -0.0004504300000000, 0.0005140200000000, -0.0000675500000000 ] - [ 0.0000835400000000, -0.0000527200000000, 0.0000828500000000 ] - [ 0.0001316500000000, 0.0001138100000000, -0.0001575600000000 ] - [ 0.0002126300000000, 0.0001044000000000, -0.0000406400000000 ] - [ 0.0005498500000000, 0.0007992500000000, 0.0003644200000000 ] - [ 0.0001411700000000, 0.0000281600000000, 0.0000759900000000 ] - [ -0.0027974700000000, 0.0016532300000000, -0.1686466200000000 ] - [ -0.0170864500000000, -0.0074252000000000, 0.0105523900000000 ] - [ 0.0110985200000000, -0.0021963400000000, -0.0017972400000000 ] - [ -0.0006235300000000, 0.0003730500000000, 0.0239051700000000 ] - [ 0.0001642700000000, 0.0000276200000000, 0.0002489500000000 ] - [ 0.0003702400000000, -0.0006588800000000, -0.0001212900000000 ] - [ -0.0000487000000000, -0.0000041200000000, -0.0000993900000000 ] - [ 0.0000236800000000, 0.0001196800000000, 0.0000322400000000 ] - [ 0.0001725400000000, -0.0000532200000000, 0.0003187400000000 ] - [ 0.0000524900000000, -0.0001341200000000, -0.0000043700000000 ] - [ -0.0003280000000000, -0.0001122600000000, 0.0000642100000000 ] - [ 0.0002968800000000, 0.0002639400000000, -0.0001184400000000 ] - [ -0.0023718400000000, 0.0015382900000000, 0.0007093400000000 ] - [ 0.0001407400000000, 0.0000482000000000, 0.0000810300000000 ] - [ 0.0003841600000000, 0.0003546300000000, -0.0001877600000000 ] - [ 0.0007123100000000, 0.0006385500000000, -0.0007266800000000 ] - [ 0.0008098600000000, -0.0007417400000000, -0.0002673300000000 ] - [ -0.0003513900000000, -0.0000175700000000, -0.0000769800000000 ] - [ 0.0000555100000000, 0.0000325400000000, -0.0001011800000000 ] - [ 0.0001340500000000, -0.0000991000000000, 0.0002357400000000 ] - [ -0.0003365300000000, -0.0003961700000000, -0.0001296300000000 ] - [ 0.0039067400000000, 0.0070458800000000, -0.0007738400000000 ] - [ 0.0002706800000000, -0.0000645600000000, 0.0003263300000000 ] - [ -0.0002217000000000, -0.0000430300000000, 0.0003104500000000 ] - [ 0.0001500500000000, -0.0003277500000000, 0.0001075500000000 ] - [ 0.0002736000000000, 0.0000398800000000, -0.0000481000000000 ] - [ 0.0000447000000000, 0.0001675300000000, 0.0002058000000000 ] - [ 0.0002978700000000, 0.0000072900000000, 0.0000634300000000 ] - [ -0.0000696900000000, -0.0001621400000000, 0.0000543600000000 ] - [ 0.0002055400000000, -0.0001301400000000, -0.0001142200000000 ] - [ 0.0000246200000000, 0.0001478900000000, 0.0000497800000000 ] - [ 0.0002683300000000, 0.0000950400000000, -0.0001302000000000 ] - [ -0.0011913300000000, 0.0000717400000000, -0.0000560200000000 ] - [ 0.0000937100000000, 0.0003492600000000, 0.0000838100000000 ] - [ 0.0000510100000000, 0.0000289800000000, -0.0000385000000000 ] - [ 0.0002960700000000, -0.0000885200000000, -0.0000831000000000 ] - [ -0.0001838400000000, -0.0006887200000000, 0.0137581500000000 ] - [ 0.0001472100000000, -0.0004216800000000, 0.0001227600000000 ] - [ -0.0010527700000000, 0.0010049900000000, 0.0002315800000000 ] - [ 0.0012902100000000, -0.0005776800000000, -0.0004684600000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000242300000000, -0.0000811700000000, -0.0000118400000000 ] - [ 0.0000114400000000, 0.0000297300000000, 0.0000168300000000 ] - [ 0.0000820700000000, 0.0000727500000000, -0.0001241300000000 ] - [ 0.0000743900000000, -0.0000643600000000, -0.0000978400000000 ] - [ -0.0000086500000000, 0.0000477000000000, -0.0000051500000000 ] - [ 0.0003320700000000, 0.0048797700000000, -0.0021391400000000 ] - [ -0.0004231200000000, 0.0001693300000000, -0.0010312600000000 ] - [ -0.0003099100000000, -0.0001425600000000, 0.0004940900000000 ] - [ 0.0002118000000000, 0.0000340100000000, -0.0000903300000000 ] - [ 0.0000333600000000, -0.0000577500000000, 0.0001496500000000 ] - [ 0.0001477700000000, 0.0000336300000000, 0.0001088400000000 ] - [ -0.0363009100000000, 0.0157720000000000, -0.0492323600000000 ] - [ 0.0000475200000000, -0.0001611000000000, -0.0001119000000000 ] - [ 0.0419893300000000, -0.0213778800000000, -0.0537840300000000 ] - [ 0.0001792900000000, -0.0000160600000000, 0.0000816700000000 ] - [ 0.0002446400000000, -0.0000211600000000, -0.0000665800000000 ] - [ 0.0000409300000000, -0.0003458800000000, -0.0000388600000000 ] - [ -0.0000954200000000, 0.0002333800000000, 0.0000690700000000 ] - [ -0.0001201000000000, -0.0000436100000000, 0.0000177200000000 ] - [ 0.0002843200000000, -0.0001398100000000, -0.0000986000000000 ] - [ 0.0003039000000000, 0.0001394600000000, -0.0000024300000000 ] - [ -0.0027249900000000, 0.0063187300000000, 0.0066623300000000 ] - [ -0.0001503500000000, 0.0000296500000000, -0.0000045900000000 ] - [ -0.0006398400000000, -0.0000858800000000, -0.0002256200000000 ] - [ -0.0005601700000000, 0.0014549800000000, -0.0024758200000000 ] - [ 0.0004989600000000, -0.0003453200000000, 0.0006001400000000 ] - [ 0.0002117700000000, -0.0001294100000000, -0.0000477900000000 ] - [ 0.0008596900000000, 0.0004641600000000, 0.0002109600000000 ] - [ -0.0002100600000000, -0.0001566300000000, -0.0000008000000000 ] - [ -0.0001803500000000, 0.0002075300000000, -0.0003261200000000 ] - [ 0.0002363900000000, -0.0029351500000000, -0.0028854800000000 ] - [ 0.0001161100000000, -0.0000348500000000, 0.0000452900000000 ] - [ 0.0001249200000000, -0.0000054000000000, -0.0000532700000000 ] - [ 0.0002142200000000, -0.0001110800000000, -0.0001849700000000 ] - [ 0.0003063500000000, 0.0002723300000000, -0.0000689800000000 ] - [ 0.0001668300000000, 0.0000922700000000, 0.0001427400000000 ] - [ -0.0002110500000000, 0.0003781000000000, 0.0009252600000000 ] - [ -0.0000582600000000, -0.0002345200000000, 0.0000482800000000 ] - [ -0.0054845300000000, -0.0020902800000000, -0.0270378600000000 ] - [ 0.0002484700000000, -0.0001374200000000, 0.0001115200000000 ] - [ -0.0001812300000000, -0.0002096900000000, 0.0003611800000000 ] - [ -0.0002705900000000, 0.0000219200000000, -0.0000510900000000 ] - [ -0.0000991600000000, 0.0003094700000000, -0.0000161800000000 ] - [ -0.0001025800000000, 0.0002534000000000, -0.0000252800000000 ] - [ 0.0002626300000000, 0.0003547600000000, -0.0016974500000000 ] - [ 0.0000108900000000, -0.0004254200000000, -0.0002837600000000 ] - [ 0.0035528300000000, -0.0039106100000000, 0.0066258600000000 ] - [ -0.0002346900000000, -0.0001206800000000, -0.0000101600000000 ] - [ -0.0000359800000000, 0.0001426700000000, -0.0000025400000000 ] - [ -0.0003800000000000, 0.0004923500000000, 0.0002728200000000 ] - [ -0.0002817200000000, 0.0001728200000000, -0.0000965600000000 ] - [ 0.0001342000000000, 0.0000861100000000, 0.0002372100000000 ] - [ 0.0001003300000000, -0.0006855600000000, -0.0000434700000000 ] - [ -0.0002023000000000, 0.0006820800000000, -0.0000510300000000 ] - [ -0.0004840100000000, 0.0006806000000000, 0.0013926600000000 ] - [ -0.0000548600000000, -0.0000508200000000, -0.0000290400000000 ] - [ 0.0001996800000000, -0.0000184800000000, -0.0000021500000000 ] - [ 0.0000317300000000, -0.0001139200000000, 0.0000352000000000 ] - [ 0.0000298900000000, -0.0004569800000000, 0.0000678700000000 ] - [ 0.0001095600000000, -0.0000004900000000, 0.0000855800000000 ] - [ -0.0000118900000000, -0.0001715800000000, -0.0000473700000000 ] - [ 0.0002045500000000, -0.0000464600000000, 0.0000390100000000 ] - [ -0.0006513500000000, -0.0007212700000000, -0.0005588100000000 ] - [ -0.0000956200000000, -0.0002794900000000, -0.0000063100000000 ] - [ -0.0037111600000000, 0.0010197500000000, 0.1684083600000000 ] - [ 0.0165665700000000, 0.0072864100000000, -0.0098958400000000 ] - [ -0.0116884700000000, 0.0020686100000000, 0.0017241000000000 ] - [ 0.0004953900000000, -0.0006819300000000, -0.0237426900000000 ] - [ 0.0003960200000000, -0.0000437400000000, -0.0001184400000000 ] - [ 0.0003753200000000, -0.0000728700000000, -0.0002532200000000 ] - [ -0.0000676700000000, -0.0000669200000000, -0.0001017900000000 ] - [ 0.0000175400000000, 0.0001371300000000, 0.0000388600000000 ] - [ 0.0001988200000000, -0.0000238900000000, 0.0003144600000000 ] - [ -0.0000947200000000, -0.0001189600000000, 0.0000752600000000 ] - [ -0.0002451200000000, 0.0000947600000000, 0.0000615700000000 ] - [ 0.0003007900000000, -0.0001235700000000, -0.0000474300000000 ] - [ 0.0016447700000000, -0.0008090600000000, -0.0010719500000000 ] - [ 0.0000543700000000, 0.0000073100000000, 0.0000874000000000 ] - [ 0.0003642300000000, 0.0003733600000000, -0.0001858900000000 ] - [ -0.0007838100000000, -0.0003823600000000, 0.0007946000000000 ] - [ -0.0013260000000000, 0.0005133900000000, 0.0000142000000000 ] - [ -0.0001613300000000, -0.0000845900000000, -0.0000223600000000 ] - [ 0.0000606200000000, 0.0000414200000000, -0.0000993100000000 ] - [ 0.0001531600000000, -0.0001010100000000, 0.0002422900000000 ] - [ -0.0004124300000000, -0.0003388000000000, -0.0002440600000000 ] - [ -0.0041934000000000, -0.0072550800000000, 0.0013223900000000 ] - [ 0.0001013300000000, 0.0001408500000000, 0.0003070400000000 ] - [ -0.0001450700000000, 0.0001224700000000, 0.0003230000000000 ] - [ 0.0000548200000000, -0.0003906100000000, 0.0000589500000000 ] - [ 0.0002386200000000, 0.0000637200000000, -0.0000510400000000 ] - [ -0.0004583100000000, -0.0002268300000000, -0.0002046500000000 ] - [ 0.0002740700000000, 0.0000118800000000, 0.0000622400000000 ] - [ -0.0001220200000000, 0.0002184600000000, 0.0001147800000000 ] - [ 0.0002936000000000, -0.0000984800000000, -0.0001348600000000 ] - [ 0.0000495000000000, 0.0001034600000000, 0.0000237300000000 ] - [ 0.0002316200000000, 0.0001360300000000, -0.0001191200000000 ] - [ 0.0006456800000000, -0.0000574300000000, 0.0001727900000000 ] - [ 0.0001092700000000, 0.0003690100000000, 0.0000824800000000 ] - [ 0.0000651000000000, 0.0001405500000000, -0.0000116800000000 ] - [ 0.0003051500000000, -0.0000521200000000, -0.0000822600000000 ] - [ 0.0003237700000000, 0.0009854600000000, -0.0137051600000000 ] - [ -0.0003475700000000, -0.0002939900000000, 0.0000432700000000 ] - [ 0.0011614000000000, -0.0011849400000000, -0.0002808400000000 ] - [ -0.0017878500000000, 0.0006761800000000, 0.0003659300000000 ]- atom: 66 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001498500000000, 0.0000584200000000, 0.0000122600000000 ] - [ -0.0012471200000000, 0.0032703600000000, 0.0002543400000000 ] - [ -0.0000499500000000, 0.0007863500000000, -0.0001210700000000 ] - [ 0.0004523300000000, 0.0005825700000000, -0.0000907400000000 ] - [ -0.0001181000000000, 0.0012566700000000, -0.0000913800000000 ] - [ 0.0023644300000000, -0.0046250100000000, 0.0000222100000000 ] - [ -0.0027955500000000, -0.0063043400000000, -0.0045240800000000 ] - [ -0.0018853700000000, 0.0033956600000000, -0.0003541500000000 ] - [ 0.0002657000000000, 0.0006020700000000, -0.0001900500000000 ] - [ 0.0004386600000000, -0.0012633600000000, 0.0004549600000000 ] - [ 0.0001929300000000, 0.0006014000000000, 0.0002050100000000 ] - [ -0.0078467700000000, -0.0033454800000000, 0.0020545200000000 ] - [ 0.0006040200000000, -0.0014252900000000, -0.0004566900000000 ] - [ -0.0065414600000000, -0.0035675300000000, -0.0025199500000000 ] - [ -0.0003053600000000, 0.0004272100000000, 0.0002510400000000 ] - [ -0.0002551400000000, 0.0004166800000000, -0.0002256600000000 ] - [ -0.0026182000000000, 0.0003042100000000, 0.0000802400000000 ] - [ -0.0003957100000000, 0.0007843200000000, -0.0000301200000000 ] - [ 0.0007841100000000, 0.0000833000000000, -0.0000029100000000 ] - [ 0.0002394700000000, 0.0005894700000000, -0.0000825300000000 ] - [ -0.0001114800000000, 0.0014925600000000, 0.0000305700000000 ] - [ 0.0636914700000000, -0.0494518200000000, -0.0298445600000000 ] - [ 0.0018234200000000, 0.0004154200000000, -0.0004016600000000 ] - [ -0.0143094600000000, -0.0048139900000000, -0.0002106000000000 ] - [ 0.0060086000000000, 0.0021177500000000, 0.0020788500000000 ] - [ -0.0088363700000000, -0.0021748100000000, -0.0001282600000000 ] - [ -0.0005775000000000, 0.0006799100000000, 0.0000776300000000 ] - [ -0.0041045500000000, 0.0013184900000000, -0.0009472200000000 ] - [ -0.0030322100000000, -0.0023509300000000, 0.0008481400000000 ] - [ -0.0001015000000000, 0.0019771600000000, 0.0002339100000000 ] - [ -0.0008201000000000, 0.0041279800000000, -0.0020950200000000 ] - [ -0.0000332400000000, 0.0008414700000000, 0.0000592300000000 ] - [ 0.0004632900000000, 0.0009892300000000, -0.0001633000000000 ] - [ 0.0002967600000000, 0.0006097300000000, -0.0002278600000000 ] - [ 0.0007683700000000, -0.0006093400000000, -0.0001128100000000 ] - [ 0.0002251000000000, 0.0007231400000000, 0.0001473300000000 ] - [ 0.0050792400000000, 0.0033013800000000, 0.0012736900000000 ] - [ 0.0000922000000000, 0.0009362500000000, 0.0001315200000000 ] - [ 0.0521937000000000, -0.0016979300000000, -0.0388748100000000 ] - [ -0.0000789600000000, 0.0009081100000000, 0.0001054300000000 ] - [ -0.0011293300000000, 0.0040393200000000, -0.0017141800000000 ] - [ -0.0006814700000000, 0.0008562200000000, -0.0001054200000000 ] - [ -0.0011170400000000, 0.0000572300000000, 0.0004189300000000 ] - [ -0.0002660100000000, 0.0010650300000000, -0.0000114700000000 ] - [ -0.0074481800000000, -0.0031823200000000, 0.0013639100000000 ] - [ 0.0011354200000000, 0.0016203500000000, -0.0003042900000000 ] - [ 0.0622975900000000, -0.0383872300000000, 0.0242395600000000 ] - [ -0.0015232100000000, -0.0005920500000000, -0.0000035500000000 ] - [ 0.0044073300000000, 0.0031510700000000, 0.0009238800000000 ] - [ 0.0022512500000000, 0.0008812000000000, -0.0002510700000000 ] - [ 0.0007944100000000, -0.0000263900000000, 0.0001752200000000 ] - [ 0.0001592000000000, -0.0010892000000000, 0.0002676300000000 ] - [ -0.0024672400000000, 0.0003233300000000, 0.0000359900000000 ] - [ -0.0017618200000000, -0.0023916900000000, 0.0001086800000000 ] - [ 0.0081386700000000, -0.0002246300000000, 0.0007929300000000 ] - [ 0.0003006600000000, -0.0008145100000000, -0.0000673200000000 ] - [ 0.0003040200000000, -0.0008373600000000, 0.0000115000000000 ] - [ -0.0002332100000000, -0.0007635500000000, 0.0000144000000000 ] - [ -0.0008351700000000, -0.0016012300000000, 0.0002058900000000 ] - [ 0.0001616000000000, -0.0005502800000000, 0.0001042100000000 ] - [ 0.0014326500000000, 0.0009674700000000, -0.0008456100000000 ] - [ -0.0000050300000000, -0.0001548000000000, -0.0000919300000000 ] - [ 0.0027572600000000, -0.0002580100000000, 0.0007416900000000 ] - [ 0.0007236100000000, -0.0003671500000000, 0.0000049400000000 ] - [ 0.0131448700000000, 0.0094053400000000, -0.0168506200000000 ] - [ -0.2164794500000000, 0.1224551600000000, 0.0649568000000000 ] - [ -0.0055126100000000, -0.0041704100000000, 0.0064511100000000 ] - [ 0.0165848200000000, -0.0067024700000000, 0.0079339700000000 ] - [ 0.0004743700000000, 0.0003538000000000, -0.0000761200000000 ] - [ -0.0008837400000000, -0.0006240400000000, -0.0000672500000000 ] - [ -0.0008278600000000, -0.0009473800000000, -0.0000895700000000 ] - [ 0.0001097600000000, -0.0006318000000000, 0.0000444400000000 ] - [ 0.0000731900000000, -0.0005599500000000, 0.0003538100000000 ] - [ -0.0011348500000000, 0.0006074200000000, 0.0001290900000000 ] - [ -0.0012030800000000, -0.0024278900000000, -0.0000222100000000 ] - [ -0.0002511000000000, -0.0022379700000000, -0.0000488800000000 ] - [ 0.0334763100000000, -0.0078742800000000, -0.0072370900000000 ] - [ 0.0002182000000000, -0.0005055000000000, 0.0000837700000000 ] - [ 0.0006205500000000, -0.0001452100000000, -0.0002250600000000 ] - [ -0.0033592600000000, 0.0019359200000000, 0.0002730000000000 ] - [ -0.0005227900000000, -0.0095660100000000, -0.0000454900000000 ] - [ 0.0003213100000000, -0.0008724800000000, -0.0001158800000000 ] - [ -0.0005404000000000, -0.0005177200000000, -0.0000434400000000 ] - [ 0.0002420600000000, -0.0007587000000000, 0.0002553000000000 ] - [ 0.0015409400000000, -0.0026873600000000, 0.0000918400000000 ] - [ -0.0083722600000000, 0.0001967000000000, -0.0051032600000000 ] - [ 0.0003851600000000, -0.0009544400000000, 0.0002073400000000 ] - [ 0.0018072300000000, 0.0009169800000000, 0.0004442600000000 ] - [ 0.0004468000000000, -0.0016662700000000, -0.0000012300000000 ] - [ 0.0005307200000000, -0.0002858000000000, -0.0000430000000000 ] - [ 0.0059335700000000, 0.0019444300000000, -0.0027791500000000 ] - [ 0.0000525500000000, -0.0005950900000000, 0.0001303900000000 ] - [ 0.0009501900000000, 0.0025815000000000, -0.0000471500000000 ] - [ 0.0001716400000000, -0.0005502100000000, -0.0001583900000000 ] - [ 0.0005468700000000, -0.0003607300000000, 0.0000596700000000 ] - [ 0.0003511200000000, -0.0007986700000000, -0.0001022000000000 ] - [ 0.0068447700000000, -0.0015510900000000, 0.0004571300000000 ] - [ 0.0000835900000000, -0.0003520900000000, 0.0000966300000000 ] - [ 0.0008367800000000, -0.0006791300000000, -0.0000316800000000 ] - [ 0.0002754200000000, -0.0007094100000000, -0.0001122200000000 ] - [ 0.0065875000000000, 0.0059880900000000, -0.0012426200000000 ] - [ 0.0003563000000000, 0.0000941800000000, 0.0000450800000000 ] - [ -0.0026459200000000, -0.0089531400000000, -0.0004277100000000 ] - [ 0.0016009000000000, -0.0014825200000000, 0.0002166300000000 ]- atom: 66 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001483100000000, -0.0001856700000000, -0.0000327100000000 ] - [ 0.0012371600000000, -0.0034140500000000, -0.0002732600000000 ] - [ 0.0002079000000000, -0.0006378100000000, -0.0001299300000000 ] - [ -0.0002923800000000, -0.0007266500000000, -0.0001600900000000 ] - [ 0.0001201700000000, -0.0011254500000000, 0.0000711000000000 ] - [ -0.0023490800000000, 0.0047482700000000, -0.0000455300000000 ] - [ 0.0025050400000000, 0.0064352100000000, 0.0042154900000000 ] - [ 0.0017395000000000, -0.0035294400000000, 0.0001016500000000 ] - [ 0.0001557800000000, -0.0005070000000000, 0.0000223600000000 ] - [ -0.0008685300000000, 0.0011744200000000, -0.0006270300000000 ] - [ 0.0001002700000000, -0.0005099600000000, 0.0000011400000000 ] - [ 0.0075501300000000, 0.0034227700000000, -0.0018347400000000 ] - [ -0.0009044700000000, 0.0013398700000000, 0.0006668100000000 ] - [ 0.0061335900000000, 0.0036469300000000, 0.0023347900000000 ] - [ 0.0005965100000000, -0.0005184000000000, -0.0000441400000000 ] - [ 0.0006745500000000, -0.0005114600000000, 0.0000572400000000 ] - [ 0.0028292900000000, -0.0008470300000000, -0.0001311000000000 ] - [ 0.0002532300000000, -0.0003365000000000, 0.0001040600000000 ] - [ -0.0005726500000000, -0.0000350600000000, 0.0001063200000000 ] - [ 0.0003589300000000, -0.0008450600000000, -0.0001214900000000 ] - [ 0.0007014700000000, -0.0012300700000000, -0.0002331900000000 ] - [ -0.0647997800000000, 0.0525450400000000, 0.0314022500000000 ] - [ -0.0020640700000000, -0.0003962700000000, 0.0003220800000000 ] - [ 0.0140837200000000, 0.0047551200000000, 0.0003239100000000 ] - [ -0.0058750600000000, -0.0017301600000000, -0.0019938400000000 ] - [ 0.0089813700000000, 0.0017312900000000, 0.0002044400000000 ] - [ 0.0011570600000000, -0.0007870800000000, -0.0001904000000000 ] - [ 0.0036964900000000, -0.0015508000000000, 0.0005683400000000 ] - [ 0.0026443600000000, 0.0021509700000000, -0.0005439400000000 ] - [ -0.0002872600000000, -0.0017764500000000, -0.0006114000000000 ] - [ 0.0013540600000000, -0.0039823100000000, 0.0019717200000000 ] - [ 0.0002386200000000, -0.0008899700000000, 0.0000448600000000 ] - [ -0.0002258800000000, -0.0010071200000000, 0.0000837200000000 ] - [ 0.0000937800000000, -0.0008134300000000, -0.0001507200000000 ] - [ -0.0003661300000000, 0.0008108300000000, -0.0002664200000000 ] - [ 0.0001618600000000, -0.0005107400000000, 0.0001555000000000 ] - [ -0.0056249800000000, -0.0033854600000000, -0.0013780000000000 ] - [ -0.0002347200000000, -0.0013805400000000, -0.0000568500000000 ] - [ -0.0530117900000000, 0.0014557300000000, 0.0381638500000000 ] - [ 0.0004620800000000, -0.0011161800000000, 0.0001975400000000 ] - [ 0.0009351700000000, -0.0040041400000000, 0.0018270700000000 ] - [ 0.0001045900000000, -0.0007419700000000, -0.0000069600000000 ] - [ 0.0013547600000000, -0.0000475600000000, -0.0004988900000000 ] - [ 0.0000608500000000, -0.0005121300000000, -0.0000390600000000 ] - [ 0.0072125900000000, 0.0031541600000000, -0.0014471800000000 ] - [ -0.0013346100000000, -0.0021609100000000, 0.0002523700000000 ] - [ -0.0615488200000000, 0.0365606100000000, -0.0225995800000000 ] - [ 0.0009246600000000, 0.0008598300000000, -0.0002009800000000 ] - [ -0.0049098800000000, -0.0029255300000000, -0.0011722100000000 ] - [ -0.0025377200000000, -0.0006873700000000, 0.0007300100000000 ] - [ -0.0013980900000000, 0.0001619400000000, -0.0003413000000000 ] - [ 0.0001296900000000, 0.0012876200000000, 0.0002103600000000 ] - [ 0.0029640600000000, -0.0004285400000000, -0.0001343000000000 ] - [ 0.0016421200000000, 0.0025448400000000, -0.0001581600000000 ] - [ -0.0082148500000000, -0.0000193600000000, -0.0007132800000000 ] - [ -0.0004156900000000, 0.0006421400000000, 0.0000181000000000 ] - [ 0.0001134600000000, 0.0007832700000000, -0.0000126000000000 ] - [ 0.0003064700000000, 0.0005124100000000, 0.0000589600000000 ] - [ 0.0004146400000000, 0.0016664300000000, -0.0002061000000000 ] - [ 0.0000318400000000, 0.0004958400000000, 0.0000643900000000 ] - [ -0.0013209700000000, -0.0010310600000000, 0.0006437100000000 ] - [ 0.0004190500000000, 0.0002077400000000, 0.0000906600000000 ] - [ -0.0028702000000000, 0.0003401100000000, -0.0009410800000000 ] - [ -0.0006782900000000, 0.0001151300000000, 0.0000662000000000 ] - [ -0.0132004800000000, -0.0085168500000000, 0.0168029200000000 ] - [ 0.2166405100000000, -0.1232337000000000, -0.0668753700000000 ] - [ 0.0049942500000000, 0.0040281700000000, -0.0066253400000000 ] - [ -0.0165085500000000, 0.0064935000000000, -0.0076082400000000 ] - [ 0.0000935600000000, -0.0003679100000000, 0.0002009700000000 ] - [ 0.0016256200000000, -0.0001047000000000, -0.0003064600000000 ] - [ 0.0007132300000000, 0.0008756100000000, -0.0001109700000000 ] - [ -0.0000668400000000, 0.0008863400000000, 0.0000265500000000 ] - [ 0.0002968500000000, 0.0004806900000000, 0.0002795900000000 ] - [ 0.0010978800000000, -0.0008665800000000, -0.0000577700000000 ] - [ 0.0006319100000000, 0.0024090200000000, 0.0001470800000000 ] - [ 0.0008502600000000, 0.0023686200000000, -0.0001165500000000 ] - [ -0.0346370900000000, 0.0088126900000000, 0.0070138300000000 ] - [ -0.0000227200000000, 0.0005593100000000, 0.0000848800000000 ] - [ 0.0001290800000000, 0.0008710000000000, -0.0001486100000000 ] - [ 0.0033062800000000, -0.0016825900000000, -0.0002025300000000 ] - [ -0.0000291100000000, 0.0093088600000000, -0.0002031200000000 ] - [ -0.0008369200000000, 0.0007698700000000, 0.0000163100000000 ] - [ 0.0006576000000000, 0.0005895300000000, -0.0001579000000000 ] - [ 0.0000450700000000, 0.0005555000000000, 0.0002227800000000 ] - [ -0.0023034100000000, 0.0019568900000000, -0.0004660800000000 ] - [ 0.0079967500000000, -0.0003391700000000, 0.0056370100000000 ] - [ -0.0000119300000000, 0.0010275000000000, 0.0004258700000000 ] - [ -0.0021794200000000, -0.0008470200000000, 0.0001881800000000 ] - [ -0.0002403600000000, 0.0009489700000000, 0.0001676600000000 ] - [ -0.0000173600000000, 0.0003875900000000, -0.0000561700000000 ] - [ -0.0063618800000000, -0.0019888100000000, 0.0027899600000000 ] - [ 0.0005200400000000, 0.0006120400000000, -0.0000044500000000 ] - [ -0.0011392100000000, -0.0025371900000000, 0.0002137800000000 ] - [ 0.0003271600000000, 0.0003193700000000, -0.0000905300000000 ] - [ -0.0004723300000000, 0.0006105200000000, 0.0000136300000000 ] - [ 0.0001496000000000, 0.0010268400000000, -0.0001470500000000 ] - [ -0.0074286600000000, 0.0015855300000000, -0.0003463500000000 ] - [ 0.0001186100000000, 0.0010692900000000, 0.0000698500000000 ] - [ -0.0007226500000000, 0.0008457300000000, -0.0000182600000000 ] - [ 0.0003253400000000, 0.0005659200000000, -0.0000533300000000 ] - [ -0.0066279000000000, -0.0057230800000000, 0.0013054200000000 ] - [ -0.0005523200000000, -0.0008170400000000, 0.0001212000000000 ] - [ 0.0028206400000000, 0.0087605600000000, 0.0003953800000000 ] - [ -0.0020744200000000, 0.0015953500000000, -0.0003123200000000 ]- atom: 66 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002296400000000, -0.0016129100000000, -0.0000775500000000 ] - [ 0.0029723000000000, -0.0013463800000000, -0.0005386700000000 ] - [ 0.0001511900000000, -0.0019283100000000, -0.0001461000000000 ] - [ -0.0003412500000000, -0.0024858100000000, -0.0001843900000000 ] - [ 0.0004945000000000, -0.0025113400000000, 0.0001268300000000 ] - [ -0.0030902500000000, -0.0003401700000000, 0.0005105000000000 ] - [ -0.0042507500000000, 0.0103770700000000, -0.0004041900000000 ] - [ 0.0039570700000000, 0.0011826200000000, -0.0008063700000000 ] - [ 0.0003224600000000, -0.0016345200000000, 0.0001984900000000 ] - [ -0.0028272000000000, -0.0004709800000000, -0.0013103000000000 ] - [ 0.0002743400000000, -0.0016353800000000, -0.0001671500000000 ] - [ 0.0000628800000000, 0.0061818200000000, -0.0034345500000000 ] - [ -0.0029647700000000, -0.0008709100000000, 0.0013206000000000 ] - [ 0.0003991800000000, 0.0066150800000000, 0.0033938300000000 ] - [ 0.0005656900000000, -0.0011115100000000, -0.0000790300000000 ] - [ 0.0006403400000000, -0.0011328400000000, 0.0000741200000000 ] - [ 0.0034368100000000, -0.0010682400000000, -0.0002041600000000 ] - [ -0.0001312900000000, -0.0021073500000000, 0.0001140300000000 ] - [ -0.0013395700000000, -0.0016918300000000, 0.0001463700000000 ] - [ 0.0003615500000000, -0.0023908300000000, -0.0001731700000000 ] - [ 0.0021637400000000, -0.0032084000000000, -0.0005433200000000 ] - [ -0.0454281700000000, 0.0866838300000000, 0.0339578000000000 ] - [ -0.0022597000000000, -0.0027093700000000, 0.0004163700000000 ] - [ 0.0058197100000000, 0.0044841300000000, 0.0004231200000000 ] - [ -0.0045760800000000, -0.0087763700000000, -0.0074231000000000 ] - [ 0.0025179600000000, 0.0038602400000000, 0.0001438500000000 ] - [ 0.0019966000000000, -0.0016483700000000, -0.0002688200000000 ] - [ 0.0040129300000000, 0.0026163900000000, 0.0000333700000000 ] - [ -0.0012433800000000, 0.0039842700000000, -0.0004244700000000 ] - [ 0.0007141700000000, -0.0042537500000000, -0.0010547500000000 ] - [ 0.0064266200000000, -0.0039938100000000, 0.0071638900000000 ] - [ 0.0002778400000000, -0.0026025800000000, 0.0000532900000000 ] - [ -0.0002777900000000, -0.0030950600000000, 0.0001153300000000 ] - [ -0.0002546500000000, -0.0026166900000000, -0.0000813900000000 ] - [ -0.0024275100000000, -0.0009435200000000, -0.0000423500000000 ] - [ 0.0000879000000000, -0.0021481200000000, 0.0000667200000000 ] - [ -0.0080656500000000, -0.0082276400000000, -0.0036223600000000 ] - [ -0.0001613600000000, -0.0033481900000000, -0.0001408200000000 ] - [ -0.0031312400000000, 0.0524797300000000, -0.0170501900000000 ] - [ 0.0009235700000000, -0.0028536100000000, 0.0002748000000000 ] - [ 0.0051589700000000, -0.0085047800000000, 0.0052044600000000 ] - [ -0.0000248300000000, -0.0020134400000000, -0.0000265000000000 ] - [ 0.0000519200000000, -0.0000596100000000, -0.0001866600000000 ] - [ -0.0000861300000000, -0.0019520500000000, -0.0000931800000000 ] - [ 0.0018978800000000, 0.0017475200000000, -0.0004365200000000 ] - [ -0.0012797300000000, -0.0043214100000000, 0.0009917900000000 ] - [ -0.0320600200000000, 0.0733667300000000, -0.0260916700000000 ] - [ -0.0007053500000000, 0.0019743200000000, -0.0005643000000000 ] - [ -0.0015933400000000, -0.0042064000000000, -0.0003420000000000 ] - [ -0.0002904200000000, -0.0029014300000000, -0.0000645800000000 ] - [ -0.0013427600000000, 0.0002679800000000, -0.0004513200000000 ] - [ -0.0001383000000000, 0.0031187400000000, 0.0002554900000000 ] - [ 0.0044671000000000, 0.0016777800000000, 0.0000538300000000 ] - [ 0.0013040300000000, 0.0036970900000000, -0.0001164200000000 ] - [ -0.0008860100000000, -0.0039450800000000, -0.0001101000000000 ] - [ -0.0006579300000000, 0.0017942700000000, 0.0000357300000000 ] - [ -0.0000505700000000, 0.0023787600000000, -0.0000287500000000 ] - [ 0.0004384100000000, 0.0017379200000000, 0.0000731400000000 ] - [ -0.0013594300000000, 0.0039639600000000, 0.0002538800000000 ] - [ -0.0002883200000000, 0.0017476300000000, 0.0000622900000000 ] - [ 0.0003141800000000, -0.0006048900000000, 0.0002074600000000 ] - [ 0.0011220900000000, 0.0017102400000000, 0.0001130100000000 ] - [ -0.0013952200000000, -0.0005930800000000, -0.0004408200000000 ] - [ -0.0001235700000000, 0.0006885500000000, -0.0000203700000000 ] - [ 0.0094239500000000, -0.0095417100000000, -0.0072360600000000 ] - [ 0.1229419000000000, -0.2318154200000000, 0.0220529200000000 ] - [ -0.0036976500000000, -0.0016215400000000, -0.0078498000000000 ] - [ -0.0098396600000000, -0.0074196900000000, -0.0030493700000000 ] - [ 0.0010920000000000, 0.0006171500000000, 0.0004370800000000 ] - [ 0.0021608700000000, 0.0013227300000000, -0.0004899700000000 ] - [ 0.0009039300000000, 0.0024932000000000, -0.0004071000000000 ] - [ -0.0006298300000000, 0.0024986200000000, 0.0000301000000000 ] - [ 0.0007062500000000, 0.0016472400000000, 0.0002300800000000 ] - [ 0.0012530800000000, 0.0010437300000000, 0.0000369000000000 ] - [ 0.0005449400000000, 0.0051571300000000, 0.0002730100000000 ] - [ 0.0004577400000000, 0.0056136300000000, -0.0001669200000000 ] - [ -0.0142321100000000, -0.0056408400000000, 0.0017671500000000 ] - [ 0.0000172500000000, 0.0014526400000000, 0.0000664500000000 ] - [ 0.0000346500000000, 0.0018770000000000, -0.0000874600000000 ] - [ 0.0053373000000000, 0.0019171500000000, 0.0016118400000000 ] - [ -0.0133986800000000, 0.0228698700000000, -0.0033307900000000 ] - [ -0.0019584900000000, 0.0016841600000000, 0.0000623500000000 ] - [ 0.0011553800000000, 0.0022763400000000, 0.0001303200000000 ] - [ 0.0000376400000000, 0.0021059900000000, 0.0002202400000000 ] - [ -0.0057116800000000, 0.0019714600000000, -0.0007350400000000 ] - [ -0.0059295000000000, -0.0014240400000000, 0.0064507000000000 ] - [ -0.0008064000000000, 0.0025154800000000, 0.0004058400000000 ] - [ -0.0010670800000000, -0.0013224700000000, 0.0003770300000000 ] - [ -0.0008090500000000, 0.0012936600000000, 0.0001863200000000 ] - [ 0.0001219100000000, 0.0012940300000000, -0.0000828700000000 ] - [ -0.0029684900000000, -0.0042135900000000, 0.0015910000000000 ] - [ 0.0008708100000000, 0.0019741400000000, -0.0001317600000000 ] - [ 0.0023841200000000, -0.0019061800000000, 0.0001833900000000 ] - [ 0.0006128200000000, 0.0019060000000000, -0.0000674300000000 ] - [ -0.0004336500000000, 0.0014928100000000, 0.0000033700000000 ] - [ -0.0000472800000000, 0.0026519100000000, -0.0001677000000000 ] - [ -0.0026093800000000, -0.0013156100000000, 0.0004501600000000 ] - [ 0.0000564700000000, 0.0022512200000000, 0.0000687600000000 ] - [ -0.0011360100000000, 0.0017569500000000, -0.0000599500000000 ] - [ 0.0006559600000000, 0.0017962200000000, -0.0000031700000000 ] - [ -0.0016442200000000, -0.0042562900000000, -0.0003505600000000 ] - [ 0.0016061400000000, -0.0000420400000000, 0.0001662000000000 ] - [ -0.0076835700000000, 0.0212406100000000, -0.0001095600000000 ] - [ -0.0058241600000000, -0.0006713800000000, -0.0011097200000000 ]- atom: 66 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002300900000000, 0.0014794000000000, 0.0000567400000000 ] - [ -0.0029505300000000, 0.0012235000000000, 0.0005145100000000 ] - [ 0.0000080800000000, 0.0020749500000000, -0.0001049700000000 ] - [ 0.0004960800000000, 0.0023372900000000, -0.0000672600000000 ] - [ -0.0004961500000000, 0.0026414200000000, -0.0001474300000000 ] - [ 0.0030663700000000, 0.0004947800000000, -0.0005251700000000 ] - [ 0.0040625600000000, -0.0102439200000000, 0.0001249300000000 ] - [ -0.0041297000000000, -0.0013587500000000, 0.0005653800000000 ] - [ 0.0000978200000000, 0.0017283900000000, -0.0003660300000000 ] - [ 0.0024134600000000, 0.0003734300000000, 0.0011429100000000 ] - [ 0.0000175700000000, 0.0017256900000000, 0.0003731000000000 ] - [ -0.0003324400000000, -0.0060850300000000, 0.0036444600000000 ] - [ 0.0026810500000000, 0.0007797000000000, -0.0011151300000000 ] - [ -0.0007926300000000, -0.0065205200000000, -0.0035662800000000 ] - [ -0.0002695200000000, 0.0010225000000000, 0.0002831200000000 ] - [ -0.0002158100000000, 0.0010403200000000, -0.0002399000000000 ] - [ -0.0032357900000000, 0.0005096200000000, 0.0001552500000000 ] - [ -0.0000121700000000, 0.0025562300000000, -0.0000401400000000 ] - [ 0.0015389400000000, 0.0017456400000000, -0.0000417700000000 ] - [ 0.0002351600000000, 0.0021334700000000, -0.0000307300000000 ] - [ -0.0015560300000000, 0.0034590500000000, 0.0003363700000000 ] - [ 0.0427055000000000, -0.0836576800000000, -0.0317514800000000 ] - [ 0.0020294800000000, 0.0027264700000000, -0.0004990400000000 ] - [ -0.0060493100000000, -0.0045524100000000, -0.0003189500000000 ] - [ 0.0047293400000000, 0.0091988200000000, 0.0075600000000000 ] - [ -0.0023508400000000, -0.0043168700000000, -0.0000732800000000 ] - [ -0.0014232000000000, 0.0015325300000000, 0.0001568900000000 ] - [ -0.0043845700000000, -0.0028044300000000, -0.0004170200000000 ] - [ 0.0008625800000000, -0.0042067400000000, 0.0007259400000000 ] - [ -0.0011094200000000, 0.0044643800000000, 0.0006815000000000 ] - [ -0.0058235900000000, 0.0041198600000000, -0.0072127900000000 ] - [ -0.0000696400000000, 0.0025504000000000, 0.0000508300000000 ] - [ 0.0005161400000000, 0.0030776200000000, -0.0001948200000000 ] - [ 0.0006484200000000, 0.0024097100000000, -0.0002979100000000 ] - [ 0.0028036000000000, 0.0011556400000000, -0.0003354900000000 ] - [ 0.0002976000000000, 0.0023596600000000, 0.0002362500000000 ] - [ 0.0074426100000000, 0.0080808100000000, 0.0034833700000000 ] - [ 0.0000174400000000, 0.0028975800000000, 0.0002144700000000 ] - [ 0.0023582500000000, -0.0530631300000000, 0.0172583000000000 ] - [ -0.0005328900000000, 0.0026399800000000, 0.0000280700000000 ] - [ -0.0053796300000000, 0.0085590300000000, -0.0051258300000000 ] - [ -0.0005511000000000, 0.0021227200000000, -0.0000856400000000 ] - [ 0.0001860100000000, 0.0000897300000000, 0.0001054500000000 ] - [ -0.0001193900000000, 0.0025016500000000, 0.0000429300000000 ] - [ -0.0021187200000000, -0.0017389200000000, 0.0003579700000000 ] - [ 0.0010653200000000, 0.0037587800000000, -0.0010361500000000 ] - [ 0.0343172000000000, -0.0753573700000000, 0.0285288300000000 ] - [ 0.0001091300000000, -0.0017298300000000, 0.0003612700000000 ] - [ 0.0010870600000000, 0.0044408300000000, 0.0000887600000000 ] - [ -0.0000021300000000, 0.0031165500000000, 0.0005449100000000 ] - [ 0.0007457700000000, -0.0001197700000000, 0.0002875500000000 ] - [ 0.0004230000000000, -0.0029121900000000, 0.0002224800000000 ] - [ -0.0039287900000000, -0.0017776500000000, -0.0001522300000000 ] - [ -0.0014110700000000, -0.0035224400000000, 0.0000644700000000 ] - [ 0.0007886500000000, 0.0037053300000000, 0.0001819300000000 ] - [ 0.0005423600000000, -0.0019615500000000, -0.0000851200000000 ] - [ 0.0004661800000000, -0.0024294200000000, 0.0000277600000000 ] - [ -0.0003650600000000, -0.0019863800000000, 0.0000004900000000 ] - [ 0.0009457800000000, -0.0039082000000000, -0.0002568300000000 ] - [ 0.0004833000000000, -0.0018012400000000, 0.0001061500000000 ] - [ -0.0001942400000000, 0.0005180900000000, -0.0004060100000000 ] - [ -0.0007014700000000, -0.0016599500000000, -0.0001132300000000 ] - [ 0.0012711400000000, 0.0006549600000000, 0.0002376900000000 ] - [ 0.0001608300000000, -0.0009501200000000, 0.0000909400000000 ] - [ -0.0096714400000000, 0.0101786300000000, 0.0074752600000000 ] - [ -0.1227767700000000, 0.2319488200000000, -0.0263706400000000 ] - [ 0.0030478500000000, 0.0014507000000000, 0.0076859700000000 ] - [ 0.0096148200000000, 0.0074238700000000, 0.0032159600000000 ] - [ -0.0005151300000000, -0.0006419900000000, -0.0003095100000000 ] - [ -0.0014034700000000, -0.0020496300000000, 0.0001146500000000 ] - [ -0.0010208700000000, -0.0025655300000000, 0.0002059500000000 ] - [ 0.0006718100000000, -0.0022428900000000, 0.0000408000000000 ] - [ -0.0003352300000000, -0.0017248300000000, 0.0004032800000000 ] - [ -0.0013007200000000, -0.0012969500000000, 0.0000338800000000 ] - [ -0.0011213000000000, -0.0051974100000000, -0.0001476200000000 ] - [ 0.0001484100000000, -0.0054399200000000, 0.0000005100000000 ] - [ 0.0135039600000000, 0.0062888400000000, -0.0021394200000000 ] - [ 0.0001733700000000, -0.0013992600000000, 0.0001019800000000 ] - [ 0.0007123200000000, -0.0011488400000000, -0.0002860900000000 ] - [ -0.0054232500000000, -0.0016630200000000, -0.0015533700000000 ] - [ 0.0130954400000000, -0.0234743700000000, 0.0030810500000000 ] - [ 0.0014506100000000, -0.0017858800000000, -0.0001619600000000 ] - [ -0.0010417900000000, -0.0022036000000000, -0.0003311400000000 ] - [ 0.0002498300000000, -0.0023082000000000, 0.0002581100000000 ] - [ 0.0049890700000000, -0.0026974800000000, 0.0003683200000000 ] - [ 0.0056653600000000, 0.0012355200000000, -0.0059595500000000 ] - [ 0.0011747700000000, -0.0024330400000000, 0.0002276100000000 ] - [ 0.0006976300000000, 0.0014093400000000, 0.0002563100000000 ] - [ 0.0010067000000000, -0.0020116600000000, -0.0000194900000000 ] - [ 0.0003882400000000, -0.0011898400000000, -0.0000161700000000 ] - [ 0.0025443100000000, 0.0041538100000000, -0.0015902700000000 ] - [ -0.0002998500000000, -0.0019551100000000, 0.0002576400000000 ] - [ -0.0025879900000000, 0.0019676400000000, -0.0000129400000000 ] - [ -0.0001119000000000, -0.0021376000000000, -0.0001819900000000 ] - [ 0.0005050400000000, -0.0012438600000000, 0.0000699700000000 ] - [ 0.0005457800000000, -0.0024194100000000, -0.0000812000000000 ] - [ 0.0020382000000000, 0.0013213100000000, -0.0003160600000000 ] - [ 0.0001477000000000, -0.0015329000000000, 0.0000976300000000 ] - [ 0.0012523300000000, -0.0015840300000000, 0.0000099500000000 ] - [ -0.0000551400000000, -0.0019367600000000, -0.0001621000000000 ] - [ 0.0015811400000000, 0.0044888100000000, 0.0004308000000000 ] - [ -0.0018138200000000, -0.0006707800000000, 0.0000003700000000 ] - [ 0.0076490400000000, -0.0210124200000000, 0.0000658200000000 ] - [ 0.0052808800000000, 0.0007579200000000, 0.0010023900000000 ]- atom: 66 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000441600000000, -0.0000211700000000, -0.0000087200000000 ] - [ -0.0000972400000000, -0.0008785400000000, -0.0001375100000000 ] - [ 0.0000837600000000, 0.0001273600000000, -0.0001252300000000 ] - [ 0.0000666100000000, 0.0000609800000000, -0.0001282400000000 ] - [ 0.0000374100000000, 0.0002141300000000, -0.0000120400000000 ] - [ -0.0003468700000000, 0.0019347000000000, -0.0002195100000000 ] - [ -0.0039620900000000, -0.0007921800000000, -0.0016922000000000 ] - [ -0.0003237500000000, 0.0001093600000000, -0.0000973200000000 ] - [ 0.0002092500000000, 0.0001119700000000, -0.0000805300000000 ] - [ -0.0003704300000000, -0.0000454500000000, -0.0002967500000000 ] - [ 0.0001442300000000, 0.0001107700000000, 0.0000991400000000 ] - [ 0.0013737000000000, -0.0035657000000000, 0.0050873600000000 ] - [ -0.0003056300000000, -0.0000959900000000, 0.0003008600000000 ] - [ 0.0010793400000000, -0.0044016100000000, -0.0049662900000000 ] - [ 0.0001899400000000, -0.0000670100000000, 0.0001029800000000 ] - [ 0.0002517600000000, -0.0000650200000000, -0.0000838000000000 ] - [ -0.0002030700000000, -0.0000488600000000, -0.0000664900000000 ] - [ 0.0000202200000000, 0.0003550000000000, 0.0000222600000000 ] - [ 0.0002038000000000, 0.0002299400000000, 0.0000856500000000 ] - [ 0.0003119500000000, -0.0000216100000000, -0.0001013800000000 ] - [ 0.0000557800000000, 0.0002067500000000, -0.0000596500000000 ] - [ -0.0267644800000000, 0.0260352000000000, 0.0451588800000000 ] - [ -0.0000774900000000, 0.0000505100000000, 0.0000009300000000 ] - [ 0.0025036000000000, 0.0014571100000000, -0.0012212600000000 ] - [ 0.0023410900000000, 0.0006395500000000, 0.0003835600000000 ] - [ 0.0005938900000000, -0.0003571500000000, 0.0001161800000000 ] - [ 0.0002501700000000, 0.0000875800000000, -0.0000233200000000 ] - [ 0.0004514600000000, 0.0000271100000000, 0.0003140700000000 ] - [ -0.0003513900000000, -0.0001190700000000, 0.0000044800000000 ] - [ -0.0000577800000000, 0.0003084300000000, -0.0002896600000000 ] - [ -0.0000145600000000, -0.0018768400000000, 0.0014965600000000 ] - [ 0.0000811900000000, 0.0000456600000000, 0.0000502300000000 ] - [ 0.0001212900000000, 0.0000606900000000, -0.0000651200000000 ] - [ 0.0001667900000000, -0.0000385200000000, -0.0001822400000000 ] - [ 0.0003705900000000, 0.0003071600000000, -0.0002872800000000 ] - [ 0.0002189200000000, 0.0002255900000000, 0.0001663100000000 ] - [ -0.0002395800000000, -0.0001564800000000, 0.0001628600000000 ] - [ -0.0000871600000000, -0.0001353100000000, 0.0000420300000000 ] - [ -0.0406510000000000, -0.0209170700000000, 0.1113764500000000 ] - [ 0.0001277100000000, -0.0000261500000000, 0.0001501000000000 ] - [ 0.0003890700000000, 0.0005311100000000, 0.0002615200000000 ] - [ -0.0003485500000000, 0.0001852500000000, -0.0000708000000000 ] - [ 0.0004939900000000, -0.0000642500000000, -0.0000474600000000 ] - [ -0.0001045500000000, 0.0003882800000000, -0.0000215200000000 ] - [ 0.0012729500000000, 0.0004095300000000, -0.0004140500000000 ] - [ -0.0002606500000000, -0.0002424700000000, -0.0000968400000000 ] - [ 0.0229113900000000, -0.0202673400000000, 0.0437391400000000 ] - [ -0.0004621300000000, 0.0000710800000000, 0.0000353700000000 ] - [ -0.0005703100000000, -0.0001363800000000, -0.0005178900000000 ] - [ -0.0001010400000000, 0.0003489000000000, 0.0004317900000000 ] - [ -0.0002023500000000, 0.0000057100000000, -0.0000480400000000 ] - [ 0.0002025900000000, 0.0000129800000000, 0.0002286100000000 ] - [ 0.0004321400000000, -0.0001883400000000, -0.0000826500000000 ] - [ 0.0002542500000000, 0.0001372900000000, -0.0000640200000000 ] - [ -0.0018880900000000, 0.0018702300000000, -0.0001976800000000 ] - [ -0.0000228800000000, -0.0001953200000000, -0.0000299500000000 ] - [ 0.0002305300000000, -0.0000976000000000, 0.0000024000000000 ] - [ 0.0000366600000000, -0.0001931500000000, 0.0000370200000000 ] - [ -0.0003225800000000, -0.0002177800000000, -0.0000206800000000 ] - [ 0.0001081000000000, -0.0001142200000000, 0.0000813800000000 ] - [ -0.0003618600000000, -0.0000220200000000, -0.0000881400000000 ] - [ 0.0001411100000000, -0.0000785800000000, 0.0000004600000000 ] - [ -0.0005544200000000, 0.0000761900000000, -0.0002322900000000 ] - [ -0.0001355000000000, -0.0000982500000000, 0.0000265600000000 ] - [ -0.0132544200000000, -0.0026231700000000, 0.0103213300000000 ] - [ 0.0638919200000000, 0.0233356000000000, -0.2867797400000000 ] - [ -0.0043712200000000, 0.0059141100000000, 0.0332964700000000 ] - [ 0.0065545600000000, -0.0033858700000000, -0.0000912200000000 ] - [ 0.0000464200000000, -0.0001833100000000, 0.0000818200000000 ] - [ 0.0004147600000000, -0.0005760000000000, -0.0001685300000000 ] - [ -0.0001201900000000, -0.0001180300000000, -0.0000880200000000 ] - [ 0.0000343500000000, 0.0000531400000000, 0.0000392100000000 ] - [ 0.0001484300000000, -0.0001258300000000, 0.0003218000000000 ] - [ 0.0000097600000000, -0.0001382200000000, 0.0000516800000000 ] - [ -0.0004023900000000, 0.0001948700000000, 0.0000453400000000 ] - [ 0.0004042700000000, -0.0002337600000000, -0.0000827600000000 ] - [ -0.0075059600000000, 0.0035972100000000, -0.0026092300000000 ] - [ 0.0001116100000000, 0.0000130200000000, 0.0000886000000000 ] - [ 0.0003981600000000, 0.0003103100000000, -0.0001899000000000 ] - [ -0.0003401900000000, 0.0007273400000000, 0.0001795500000000 ] - [ -0.0009497800000000, 0.0016421400000000, 0.0001490100000000 ] - [ -0.0002848700000000, -0.0001528300000000, -0.0000482100000000 ] - [ 0.0000573900000000, 0.0000017300000000, -0.0001081600000000 ] - [ 0.0001279900000000, -0.0002023400000000, 0.0002339100000000 ] - [ -0.0004245700000000, -0.0008622700000000, -0.0001709300000000 ] - [ -0.0011165500000000, -0.0068358000000000, 0.0456397700000000 ] - [ 0.0002935400000000, -0.0000473900000000, 0.0003333800000000 ] - [ -0.0000580800000000, -0.0000195600000000, 0.0002627100000000 ] - [ 0.0001755900000000, -0.0001821900000000, 0.0000924000000000 ] - [ 0.0003142100000000, -0.0000014200000000, -0.0000492700000000 ] - [ -0.0001709900000000, -0.0004816300000000, 0.0002327100000000 ] - [ 0.0002841700000000, -0.0000437800000000, 0.0000724900000000 ] - [ -0.0002495100000000, -0.0000628400000000, 0.0001661200000000 ] - [ 0.0002054500000000, -0.0002547100000000, -0.0001195800000000 ] - [ -0.0000327900000000, 0.0000970600000000, 0.0000395200000000 ] - [ 0.0002722500000000, 0.0000426500000000, -0.0001291900000000 ] - [ -0.0024264000000000, 0.0006987900000000, 0.0000027800000000 ] - [ 0.0000966700000000, 0.0002698700000000, 0.0000852700000000 ] - [ 0.0001344100000000, -0.0000719600000000, -0.0000267600000000 ] - [ 0.0002840400000000, -0.0001695800000000, -0.0000850000000000 ] - [ -0.0012739100000000, 0.0006265400000000, 0.0009865100000000 ] - [ 0.0000414200000000, -0.0003484000000000, 0.0000765800000000 ] - [ 0.0009409900000000, -0.0020990900000000, 0.0003784300000000 ] - [ -0.0007561900000000, 0.0004988800000000, -0.0003194300000000 ]- atom: 66 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000443700000000, -0.0001094200000000, -0.0000118100000000 ] - [ 0.0000998400000000, 0.0007567600000000, 0.0001203100000000 ] - [ 0.0000747100000000, 0.0000196000000000, -0.0001264100000000 ] - [ 0.0000914100000000, -0.0002085800000000, -0.0001229200000000 ] - [ -0.0000372500000000, -0.0000857600000000, -0.0000077400000000 ] - [ 0.0003323600000000, -0.0018145000000000, 0.0001964100000000 ] - [ 0.0038224500000000, 0.0009476700000000, 0.0013473500000000 ] - [ 0.0001525600000000, -0.0002583800000000, -0.0001540800000000 ] - [ 0.0002116600000000, -0.0000180500000000, -0.0000866600000000 ] - [ -0.0000450900000000, -0.0000466200000000, 0.0001356300000000 ] - [ 0.0001483800000000, -0.0000202200000000, 0.0001065700000000 ] - [ -0.0016636800000000, 0.0036733000000000, -0.0049176800000000 ] - [ 0.0000156900000000, 0.0000026200000000, -0.0001011200000000 ] - [ -0.0015080300000000, 0.0045164600000000, 0.0048317600000000 ] - [ 0.0001031900000000, -0.0000235800000000, 0.0001026400000000 ] - [ 0.0001695000000000, -0.0000288700000000, -0.0000833700000000 ] - [ 0.0004135200000000, -0.0005055200000000, 0.0000165900000000 ] - [ -0.0001645900000000, 0.0000917700000000, 0.0000521100000000 ] - [ 0.0000008300000000, -0.0001803300000000, 0.0000181200000000 ] - [ 0.0002854500000000, -0.0002360200000000, -0.0001024900000000 ] - [ 0.0005430400000000, 0.0000500200000000, -0.0001414000000000 ] - [ 0.0260618200000000, -0.0243763800000000, -0.0451520900000000 ] - [ -0.0001613100000000, -0.0000323000000000, -0.0000779400000000 ] - [ -0.0027396700000000, -0.0015323600000000, 0.0013178700000000 ] - [ -0.0021899500000000, -0.0001172500000000, -0.0003736900000000 ] - [ -0.0004445200000000, -0.0000961100000000, -0.0000451600000000 ] - [ 0.0003254100000000, -0.0002017900000000, -0.0000893300000000 ] - [ -0.0008301600000000, -0.0002202400000000, -0.0006963300000000 ] - [ -0.0000324100000000, -0.0000954500000000, 0.0002995100000000 ] - [ -0.0003358100000000, -0.0000964900000000, -0.0000975300000000 ] - [ 0.0006346200000000, 0.0019187300000000, -0.0016631500000000 ] - [ 0.0001277200000000, -0.0000971300000000, 0.0000535900000000 ] - [ 0.0001156600000000, -0.0000786200000000, -0.0000158800000000 ] - [ 0.0002263900000000, -0.0001681100000000, -0.0001962400000000 ] - [ 0.0000166000000000, -0.0001004600000000, -0.0000905300000000 ] - [ 0.0001675200000000, -0.0000150600000000, 0.0001362400000000 ] - [ -0.0003302100000000, 0.0000466900000000, -0.0002503700000000 ] - [ -0.0000563600000000, -0.0003128000000000, 0.0000328100000000 ] - [ 0.0434416300000000, 0.0224257200000000, -0.1201073700000000 ] - [ 0.0002608700000000, -0.0001860500000000, 0.0001512300000000 ] - [ -0.0006040200000000, -0.0004909900000000, -0.0001230100000000 ] - [ -0.0002282300000000, -0.0000752000000000, -0.0000409700000000 ] - [ -0.0002594800000000, 0.0000862100000000, -0.0000334500000000 ] - [ -0.0001028400000000, 0.0001621300000000, -0.0000286000000000 ] - [ -0.0015130600000000, -0.0004191000000000, 0.0003381300000000 ] - [ 0.0000527200000000, -0.0003176300000000, 0.0000380300000000 ] - [ -0.0222597300000000, 0.0193089900000000, -0.0432065900000000 ] - [ -0.0001321900000000, 0.0001828800000000, -0.0002403200000000 ] - [ 0.0000697700000000, 0.0003723000000000, 0.0002709000000000 ] - [ -0.0001892000000000, -0.0001441300000000, 0.0000455400000000 ] - [ -0.0003993600000000, 0.0001381400000000, -0.0001184600000000 ] - [ 0.0000847300000000, 0.0001890300000000, 0.0002495400000000 ] - [ 0.0000816300000000, 0.0000887100000000, -0.0000187100000000 ] - [ -0.0003690700000000, 0.0000610100000000, 0.0000168900000000 ] - [ 0.0018244500000000, -0.0021310300000000, 0.0002637200000000 ] - [ -0.0000928100000000, 0.0000274000000000, -0.0000195500000000 ] - [ 0.0001869600000000, 0.0000451600000000, -0.0000031900000000 ] - [ 0.0000336000000000, -0.0000565700000000, 0.0000363100000000 ] - [ -0.0000868100000000, 0.0002444500000000, 0.0000234500000000 ] - [ 0.0000898400000000, 0.0000606600000000, 0.0000868900000000 ] - [ 0.0004825100000000, -0.0000541900000000, -0.0001117000000000 ] - [ 0.0002782800000000, 0.0001317600000000, -0.0000003400000000 ] - [ 0.0004367400000000, -0.0000088300000000, 0.0000303400000000 ] - [ 0.0001726500000000, -0.0001589500000000, 0.0000442000000000 ] - [ 0.0131580800000000, 0.0034091500000000, -0.0101270000000000 ] - [ -0.0680107300000000, -0.0251319300000000, 0.2960673500000000 ] - [ 0.0036292600000000, -0.0056791200000000, -0.0335218200000000 ] - [ -0.0067796600000000, 0.0033485000000000, 0.0001729000000000 ] - [ 0.0005292900000000, 0.0001648100000000, 0.0000430400000000 ] - [ 0.0003379800000000, -0.0001478900000000, -0.0002043000000000 ] - [ 0.0000024400000000, 0.0000438800000000, -0.0001128800000000 ] - [ 0.0000036800000000, 0.0002035200000000, 0.0000318500000000 ] - [ 0.0002222800000000, 0.0000477900000000, 0.0003111400000000 ] - [ -0.0000485700000000, -0.0001184500000000, 0.0000195900000000 ] - [ -0.0001669700000000, -0.0002070600000000, 0.0000792800000000 ] - [ 0.0001932000000000, 0.0003705400000000, -0.0000832900000000 ] - [ 0.0068836400000000, -0.0029072600000000, 0.0021481000000000 ] - [ 0.0000852300000000, 0.0000416200000000, 0.0000797600000000 ] - [ 0.0003505700000000, 0.0004176100000000, -0.0001831100000000 ] - [ 0.0002565200000000, -0.0004929000000000, -0.0000872700000000 ] - [ 0.0004020400000000, -0.0018158500000000, -0.0003947300000000 ] - [ -0.0002235200000000, 0.0000519600000000, -0.0000503200000000 ] - [ 0.0000602200000000, 0.0000706100000000, -0.0000933200000000 ] - [ 0.0001596700000000, 0.0000007000000000, 0.0002443400000000 ] - [ -0.0003300400000000, 0.0001428600000000, -0.0002065900000000 ] - [ 0.0010108300000000, 0.0061979600000000, -0.0452267800000000 ] - [ 0.0000746400000000, 0.0001304600000000, 0.0002996400000000 ] - [ -0.0003138300000000, 0.0001007500000000, 0.0003712900000000 ] - [ 0.0000286200000000, -0.0005362800000000, 0.0000728600000000 ] - [ 0.0001968500000000, 0.0001021800000000, -0.0000505300000000 ] - [ -0.0002426400000000, 0.0004361600000000, -0.0002453000000000 ] - [ 0.0002878200000000, 0.0000623600000000, 0.0000531500000000 ] - [ 0.0000500200000000, 0.0001208300000000, -0.0000011200000000 ] - [ 0.0002962500000000, 0.0000247500000000, -0.0001301300000000 ] - [ 0.0001035700000000, 0.0001532700000000, 0.0000336600000000 ] - [ 0.0002281200000000, 0.0001893400000000, -0.0001201000000000 ] - [ 0.0018643800000000, -0.0006889900000000, 0.0001342400000000 ] - [ 0.0001089000000000, 0.0004473900000000, 0.0000807800000000 ] - [ -0.0000201100000000, 0.0002440800000000, -0.0000224600000000 ] - [ 0.0003162100000000, 0.0000285200000000, -0.0000800400000000 ] - [ 0.0012330200000000, -0.0003826500000000, -0.0009151500000000 ] - [ -0.0002528000000000, -0.0003678500000000, 0.0000888900000000 ] - [ -0.0008031800000000, 0.0018880200000000, -0.0004073900000000 ] - [ 0.0002134900000000, -0.0003924600000000, 0.0002252900000000 ]- atom: 69 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000558700000000, 0.0002059300000000, -0.0000009400000000 ] - [ -0.0052804900000000, 0.0008451300000000, -0.0000698500000000 ] - [ -0.0000806100000000, -0.0013458700000000, -0.0002596100000000 ] - [ 0.0000046300000000, 0.0039014700000000, -0.0005236300000000 ] - [ 0.0001022100000000, 0.0005244700000000, -0.0000240800000000 ] - [ 0.0166368400000000, 0.0016013900000000, -0.0018411200000000 ] - [ -0.0011668600000000, 0.0003886000000000, -0.0001462400000000 ] - [ 0.0003818200000000, 0.0001416300000000, -0.0001576900000000 ] - [ 0.0000879300000000, 0.0008406500000000, 0.0000796400000000 ] - [ -0.0004796300000000, 0.0002199300000000, -0.0001415700000000 ] - [ 0.0000009000000000, 0.0008066100000000, -0.0000499200000000 ] - [ 0.0022945000000000, 0.0006734900000000, 0.0014901900000000 ] - [ -0.0004169900000000, 0.0002155500000000, 0.0001631600000000 ] - [ 0.0023107100000000, 0.0007208100000000, -0.0014591200000000 ] - [ -0.0045351800000000, -0.0064143600000000, 0.0049954900000000 ] - [ -0.0027238500000000, -0.0074395100000000, -0.0050213900000000 ] - [ 0.0004337900000000, 0.0002179100000000, -0.0000368900000000 ] - [ 0.0079596700000000, -0.0019528000000000, 0.0010238500000000 ] - [ 0.0495146900000000, -0.0304636000000000, -0.0115326500000000 ] - [ 0.0007885700000000, 0.0001938400000000, -0.0003117100000000 ] - [ -0.0073172500000000, 0.0009197600000000, -0.0005841200000000 ] - [ -0.0022726600000000, -0.0025867300000000, 0.0002670800000000 ] - [ -0.0002749000000000, 0.0004001500000000, -0.0000411400000000 ] - [ -0.0031586700000000, 0.0023951600000000, 0.0006354300000000 ] - [ -0.0002362300000000, -0.0000751900000000, 0.0001798800000000 ] - [ 0.0014386400000000, 0.0016743100000000, -0.0004424600000000 ] - [ 0.0004384500000000, 0.0003785600000000, -0.0000770600000000 ] - [ -0.0083881600000000, 0.0041818400000000, -0.0041369000000000 ] - [ -0.0004079400000000, 0.0010449800000000, 0.0001260900000000 ] - [ -0.0001203800000000, 0.0003763100000000, -0.0001632600000000 ] - [ -0.0064157700000000, -0.0030822800000000, -0.0002322700000000 ] - [ -0.0004221900000000, -0.0001232300000000, 0.0000919700000000 ] - [ -0.0002681400000000, 0.0005166700000000, -0.0000973400000000 ] - [ -0.0000094900000000, 0.0000957000000000, -0.0001898100000000 ] - [ 0.0493657200000000, -0.0064056000000000, 0.0278217000000000 ] - [ 0.0008812400000000, 0.0012202300000000, 0.0007309400000000 ] - [ -0.0104032900000000, -0.0018683900000000, 0.0015246800000000 ] - [ -0.0011754300000000, 0.0004340700000000, 0.0001666800000000 ] - [ -0.0009680200000000, -0.0015215600000000, -0.0001719900000000 ] - [ -0.0053100300000000, 0.0010271200000000, 0.0011937200000000 ] - [ 0.0001118500000000, 0.0001394600000000, 0.0000855900000000 ] - [ -0.0002531000000000, 0.0003739500000000, -0.0000666500000000 ] - [ 0.0872692600000000, -0.0317476900000000, 0.0368498400000000 ] - [ 0.0006087100000000, 0.0006035600000000, 0.0001044500000000 ] - [ 0.0017519200000000, 0.0090468700000000, 0.0042196700000000 ] - [ -0.0138738500000000, -0.0045865900000000, -0.0003966500000000 ] - [ 0.0005211700000000, -0.0002106800000000, 0.0002340800000000 ] - [ -0.0003622900000000, 0.0009558700000000, -0.0002090600000000 ] - [ -0.0000940700000000, -0.0012710500000000, -0.0000522900000000 ] - [ -0.0003048200000000, -0.0010024600000000, 0.0002688500000000 ] - [ -0.0005262400000000, -0.0004498500000000, -0.0000716800000000 ] - [ 0.0026798400000000, -0.0005430300000000, 0.0005997300000000 ] - [ 0.0120583100000000, 0.0057615500000000, 0.0121944800000000 ] - [ 0.0052531500000000, 0.0035088000000000, -0.0003973100000000 ] - [ -0.0016343900000000, -0.0007827400000000, 0.0001278300000000 ] - [ -0.0001473600000000, -0.0004643900000000, -0.0000323900000000 ] - [ 0.0007212400000000, -0.0003001500000000, 0.0000556900000000 ] - [ 0.0007948800000000, -0.0011045800000000, 0.0000095300000000 ] - [ -0.0002534100000000, -0.0000483500000000, -0.0000081100000000 ] - [ -0.0007774100000000, -0.0012959300000000, 0.0002204400000000 ] - [ -0.0038916000000000, -0.0058098800000000, -0.0021576400000000 ] - [ -0.0084303500000000, 0.0000781600000000, 0.0064126700000000 ] - [ 0.0130265700000000, -0.0129747200000000, 0.0018223100000000 ] - [ 0.0197495900000000, 0.0064921400000000, 0.0110553000000000 ] - [ -0.0020307100000000, 0.0043318700000000, -0.0000343300000000 ] - [ 0.0000058100000000, 0.0007640500000000, 0.0000748700000000 ] - [ 0.0012974000000000, 0.0014088100000000, 0.0000636000000000 ] - [ -0.0013298000000000, -0.0005233300000000, 0.0000786600000000 ] - [ -0.2405460300000000, 0.0830949900000000, -0.0769816300000000 ] - [ 0.0257329800000000, -0.0122265800000000, -0.0077660400000000 ] - [ -0.0000237800000000, -0.0003574500000000, -0.0000017600000000 ] - [ 0.0004113000000000, -0.0005794200000000, 0.0000398900000000 ] - [ -0.0007387200000000, -0.0008828100000000, 0.0004332100000000 ] - [ 0.0002482300000000, -0.0005150800000000, 0.0000355400000000 ] - [ -0.0003141600000000, -0.0002054300000000, 0.0000366700000000 ] - [ 0.0059499100000000, -0.0004290700000000, -0.0022527000000000 ] - [ 0.0028948500000000, 0.0007456600000000, -0.0002158800000000 ] - [ 0.0045045400000000, 0.0041674200000000, -0.0000999100000000 ] - [ 0.0003043300000000, 0.0006401800000000, -0.0001033900000000 ] - [ 0.0002920100000000, 0.0000391200000000, -0.0000058100000000 ] - [ -0.0004119400000000, -0.0000463400000000, -0.0001877600000000 ] - [ -0.0003915900000000, -0.0002691500000000, -0.0000606000000000 ] - [ 0.0001768000000000, -0.0002330400000000, -0.0001977000000000 ] - [ -0.0012054300000000, -0.0001982100000000, -0.0002468200000000 ] - [ -0.0006188700000000, -0.0005532700000000, -0.0001718600000000 ] - [ -0.0000353600000000, 0.0004686300000000, 0.0004681400000000 ] - [ 0.0073256800000000, -0.0022843800000000, 0.0024601900000000 ] - [ -0.0004201600000000, -0.0005498400000000, 0.0003142100000000 ] - [ 0.0068118000000000, 0.0018986400000000, 0.0010048300000000 ] - [ 0.0003428600000000, -0.0000812800000000, -0.0000468200000000 ] - [ 0.0012401700000000, -0.0036966000000000, -0.0001096500000000 ] - [ 0.0004883400000000, -0.0001569300000000, 0.0000981400000000 ] - [ 0.0003606100000000, -0.0004455500000000, 0.0001146400000000 ] - [ -0.0054242200000000, -0.0014778600000000, -0.0000841200000000 ] - [ -0.0012483800000000, 0.0047017800000000, -0.0005698000000000 ] - [ 0.0015873500000000, -0.0000223700000000, -0.0007344100000000 ] - [ 0.0022125000000000, -0.0028762100000000, -0.0000512200000000 ] - [ -0.0002344600000000, -0.0000805500000000, 0.0001243500000000 ] - [ 0.0000241900000000, -0.0002928700000000, -0.0000380300000000 ] - [ -0.0000892500000000, -0.0003696800000000, -0.0000560800000000 ] - [ -0.0040520200000000, -0.0031936100000000, -0.0001408800000000 ] - [ 0.0000959400000000, -0.0007170700000000, 0.0000946000000000 ] - [ 0.0048779400000000, 0.0035649600000000, 0.0004922100000000 ] - [ 0.0071794200000000, 0.0001864200000000, 0.0005770300000000 ]- atom: 69 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000556600000000, -0.0003298500000000, -0.0000189200000000 ] - [ 0.0052665300000000, -0.0009730800000000, 0.0000521800000000 ] - [ 0.0002476500000000, 0.0014877700000000, 0.0000068500000000 ] - [ 0.0001318100000000, -0.0040478400000000, 0.0002714200000000 ] - [ -0.0001026100000000, -0.0003882500000000, 0.0000039700000000 ] - [ -0.0169367900000000, -0.0018623400000000, 0.0019859200000000 ] - [ 0.0010041400000000, -0.0002361500000000, -0.0001060700000000 ] - [ -0.0005406300000000, -0.0002826400000000, -0.0000935200000000 ] - [ 0.0003267900000000, -0.0007387200000000, -0.0002429400000000 ] - [ 0.0000564100000000, -0.0003112600000000, -0.0000246300000000 ] - [ 0.0002846700000000, -0.0007071500000000, 0.0002512700000000 ] - [ -0.0025909600000000, -0.0005807500000000, -0.0012905100000000 ] - [ 0.0001219400000000, -0.0003039300000000, 0.0000414700000000 ] - [ -0.0027335200000000, -0.0006244900000000, 0.0012972900000000 ] - [ 0.0048185800000000, 0.0062840800000000, -0.0047752600000000 ] - [ 0.0031493300000000, 0.0073218200000000, 0.0048467900000000 ] - [ -0.0002202000000000, -0.0007634600000000, -0.0000122100000000 ] - [ -0.0080122400000000, 0.0024294300000000, -0.0009698700000000 ] - [ -0.0493683000000000, 0.0316971200000000, 0.0123149300000000 ] - [ -0.0001914800000000, -0.0004312000000000, 0.0001053200000000 ] - [ 0.0078978400000000, -0.0006701800000000, 0.0003788800000000 ] - [ 0.0024807400000000, 0.0031377600000000, -0.0003151600000000 ] - [ 0.0000370000000000, -0.0003768100000000, -0.0000392000000000 ] - [ 0.0029395800000000, -0.0024348100000000, -0.0005244600000000 ] - [ 0.0003791900000000, 0.0005297300000000, -0.0001062600000000 ] - [ -0.0012878800000000, -0.0021109400000000, 0.0005134800000000 ] - [ 0.0001408400000000, -0.0004827100000000, -0.0000344500000000 ] - [ 0.0079755900000000, -0.0043778000000000, 0.0037369200000000 ] - [ 0.0000180400000000, -0.0012489200000000, 0.0001766600000000 ] - [ -0.0002740700000000, -0.0001639300000000, -0.0002156600000000 ] - [ 0.0069803400000000, 0.0031870700000000, 0.0001221300000000 ] - [ 0.0006369600000000, 0.0000685300000000, 0.0000121700000000 ] - [ 0.0005003500000000, -0.0005279300000000, 0.0000165800000000 ] - [ 0.0004038400000000, -0.0003005500000000, -0.0001894400000000 ] - [ -0.0486740200000000, 0.0065238100000000, -0.0284319700000000 ] - [ -0.0004936400000000, -0.0009628800000000, -0.0003987200000000 ] - [ 0.0097950300000000, 0.0017442900000000, -0.0016381200000000 ] - [ 0.0010212000000000, -0.0008888200000000, -0.0000939200000000 ] - [ 0.0003737900000000, 0.0012707600000000, -0.0000308300000000 ] - [ 0.0056913200000000, -0.0012439000000000, -0.0008897600000000 ] - [ -0.0003240100000000, -0.0000821100000000, 0.0000187600000000 ] - [ -0.0003252100000000, -0.0002535800000000, -0.0000449800000000 ] - [ -0.0826167200000000, 0.0294457500000000, -0.0337249500000000 ] - [ -0.0008091600000000, -0.0000396800000000, -0.0001509300000000 ] - [ -0.0019584100000000, -0.0090755900000000, -0.0042394700000000 ] - [ 0.0136173800000000, 0.0040172700000000, 0.0003607000000000 ] - [ -0.0009106100000000, 0.0004291400000000, 0.0000686000000000 ] - [ -0.0002351000000000, -0.0006921800000000, 0.0000047800000000 ] - [ -0.0004081900000000, 0.0014938000000000, -0.0001970500000000 ] - [ 0.0000155800000000, 0.0011949200000000, 0.0002100300000000 ] - [ -0.0000762500000000, 0.0005847400000000, -0.0000926200000000 ] - [ -0.0023846600000000, 0.0007521400000000, -0.0001199100000000 ] - [ -0.0116215900000000, -0.0059367200000000, -0.0124541300000000 ] - [ -0.0053582700000000, -0.0033275800000000, 0.0003423500000000 ] - [ 0.0015642700000000, 0.0005277700000000, -0.0000545100000000 ] - [ 0.0000304800000000, 0.0002870400000000, -0.0000173700000000 ] - [ -0.0003029900000000, 0.0002473200000000, -0.0000556700000000 ] - [ -0.0007161300000000, 0.0008531400000000, 0.0000636700000000 ] - [ -0.0001635400000000, 0.0000967600000000, 0.0000081500000000 ] - [ 0.0009945100000000, 0.0012242600000000, -0.0000589400000000 ] - [ 0.0039070500000000, 0.0057170100000000, 0.0020148000000000 ] - [ 0.0088860600000000, -0.0000619800000000, -0.0062893200000000 ] - [ -0.0129842100000000, 0.0128489400000000, -0.0020169000000000 ] - [ -0.0194077500000000, -0.0067087100000000, -0.0107915200000000 ] - [ 0.0018286700000000, -0.0036343000000000, 0.0001974800000000 ] - [ -0.0003756900000000, -0.0008442600000000, 0.0005579400000000 ] - [ -0.0018944900000000, -0.0015507800000000, -0.0002286400000000 ] - [ 0.0011294400000000, 0.0004646300000000, 0.0000901100000000 ] - [ 0.2367046000000000, -0.0812900100000000, 0.0729041500000000 ] - [ -0.0252348000000000, 0.0117338400000000, 0.0075150300000000 ] - [ -0.0000930300000000, 0.0002809300000000, -0.0001983700000000 ] - [ -0.0003686200000000, 0.0008269500000000, 0.0000308400000000 ] - [ 0.0010967800000000, 0.0007820500000000, 0.0001980100000000 ] - [ -0.0002821700000000, 0.0002526000000000, 0.0000351700000000 ] - [ -0.0002588600000000, 0.0001814000000000, 0.0000887400000000 ] - [ -0.0053394400000000, 0.0005692400000000, 0.0020906200000000 ] - [ -0.0036385400000000, -0.0000202100000000, -0.0001585600000000 ] - [ -0.0042977100000000, -0.0040899000000000, 0.0002676600000000 ] - [ 0.0004364100000000, 0.0000881400000000, -0.0002693900000000 ] - [ -0.0003609100000000, 0.0002074000000000, 0.0000787000000000 ] - [ -0.0000889500000000, -0.0001900900000000, -0.0000621500000000 ] - [ -0.0001178400000000, 0.0001670300000000, -0.0000394200000000 ] - [ -0.0000595900000000, 0.0003010500000000, -0.0000050800000000 ] - [ 0.0014817000000000, -0.0000214200000000, 0.0007243900000000 ] - [ -0.0001297700000000, -0.0001795400000000, -0.0002011200000000 ] - [ -0.0002535900000000, -0.0006751800000000, 0.0000102500000000 ] - [ -0.0069472700000000, 0.0023645400000000, -0.0018304800000000 ] - [ 0.0000466700000000, 0.0006219800000000, 0.0003180700000000 ] - [ -0.0065877300000000, -0.0025982700000000, -0.0008321800000000 ] - [ 0.0001649100000000, 0.0001770700000000, -0.0000528700000000 ] - [ -0.0016528900000000, 0.0036143200000000, 0.0001105800000000 ] - [ 0.0000845000000000, 0.0001749000000000, 0.0000284800000000 ] - [ -0.0005586300000000, 0.0004961900000000, 0.0000540600000000 ] - [ 0.0059294800000000, 0.0011100100000000, -0.0001851900000000 ] - [ 0.0012926800000000, -0.0044134000000000, 0.0006382800000000 ] - [ -0.0010831400000000, 0.0002590000000000, 0.0004817300000000 ] - [ -0.0027865400000000, 0.0028915700000000, 0.0001761600000000 ] - [ 0.0004464500000000, 0.0007869800000000, 0.0000415500000000 ] - [ 0.0000912300000000, 0.0004540600000000, -0.0000121700000000 ] - [ 0.0006828600000000, 0.0002178300000000, -0.0001082300000000 ] - [ 0.0040042800000000, 0.0034530500000000, 0.0002058700000000 ] - [ -0.0003042000000000, -0.0000023900000000, 0.0000708600000000 ] - [ -0.0047597700000000, -0.0037320000000000, -0.0005369200000000 ] - [ -0.0076678400000000, -0.0000877500000000, -0.0006699100000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001038100000000, -0.0020673900000000, -0.0000940500000000 ] - [ 0.0021675700000000, 0.0042459900000000, -0.0008019100000000 ] - [ -0.0015722500000000, -0.0006678800000000, -0.0000785100000000 ] - [ 0.0036793300000000, 0.0002008600000000, 0.0005264600000000 ] - [ 0.0001323500000000, -0.0023668600000000, 0.0000886700000000 ] - [ 0.0048129400000000, 0.0109545600000000, -0.0022919900000000 ] - [ 0.0003977700000000, -0.0013676000000000, -0.0001314400000000 ] - [ -0.0002936900000000, -0.0024958700000000, -0.0000786200000000 ] - [ 0.0014962500000000, -0.0018054200000000, -0.0006034800000000 ] - [ 0.0000008500000000, -0.0014794400000000, -0.0002491800000000 ] - [ 0.0016258900000000, -0.0019118700000000, 0.0006979000000000 ] - [ -0.0012785100000000, -0.0024433600000000, -0.0006128500000000 ] - [ 0.0000631700000000, -0.0014679700000000, 0.0002523800000000 ] - [ -0.0011308300000000, -0.0026953400000000, 0.0006334100000000 ] - [ -0.0017897000000000, 0.0030410100000000, -0.0011093300000000 ] - [ -0.0011113000000000, 0.0026947800000000, 0.0011091900000000 ] - [ 0.0000370900000000, -0.0028635400000000, 0.0000097900000000 ] - [ -0.0087817300000000, -0.0042217300000000, 0.0085355600000000 ] - [ -0.0257474100000000, 0.0850135600000000, 0.0293726000000000 ] - [ 0.0003178200000000, -0.0044398600000000, 0.0007547400000000 ] - [ 0.0004075100000000, 0.0023776300000000, 0.0009451600000000 ] - [ 0.0007416600000000, 0.0007563400000000, -0.0003040300000000 ] - [ -0.0000068000000000, -0.0022606100000000, -0.0000866400000000 ] - [ 0.0018824500000000, -0.0025984200000000, -0.0005832800000000 ] - [ 0.0001391300000000, -0.0021978100000000, 0.0000551800000000 ] - [ 0.0003409600000000, -0.0034907600000000, 0.0002410300000000 ] - [ 0.0007367400000000, -0.0027415600000000, -0.0001141500000000 ] - [ 0.0069895500000000, -0.0028845600000000, 0.0042235400000000 ] - [ -0.0000434300000000, -0.0027426600000000, 0.0001106400000000 ] - [ -0.0000676600000000, -0.0022793600000000, -0.0002015500000000 ] - [ 0.0020110300000000, 0.0023741500000000, -0.0007996600000000 ] - [ -0.0005603800000000, -0.0007652500000000, 0.0001595000000000 ] - [ 0.0007447000000000, -0.0024075100000000, 0.0001394400000000 ] - [ -0.0000243700000000, -0.0015889500000000, -0.0000658900000000 ] - [ -0.0066536100000000, 0.0459308400000000, 0.0094849600000000 ] - [ 0.0010074100000000, -0.0088661100000000, -0.0063933000000000 ] - [ -0.0043717600000000, 0.0049835800000000, 0.0013427900000000 ] - [ 0.0014365600000000, -0.0000567700000000, 0.0003256000000000 ] - [ -0.0027050800000000, -0.0017675800000000, -0.0003679600000000 ] - [ 0.0000106000000000, -0.0000006300000000, 0.0000489300000000 ] - [ 0.0000277000000000, -0.0023685700000000, 0.0000385100000000 ] - [ -0.0005620700000000, -0.0026848700000000, 0.0000154300000000 ] - [ -0.0244037000000000, 0.0500446300000000, -0.0128377200000000 ] - [ -0.0022898600000000, -0.0029325800000000, -0.0006119200000000 ] - [ 0.0021249300000000, -0.0077134000000000, -0.0047049500000000 ] - [ 0.0071486700000000, 0.0079166600000000, -0.0005156600000000 ] - [ -0.0013207300000000, -0.0020002000000000, -0.0001393300000000 ] - [ -0.0004045300000000, -0.0025015500000000, 0.0000351900000000 ] - [ -0.0005343600000000, 0.0024654500000000, -0.0003493000000000 ] - [ -0.0003205700000000, 0.0028679600000000, 0.0003232000000000 ] - [ 0.0001738000000000, 0.0023601200000000, -0.0001705000000000 ] - [ -0.0004167800000000, -0.0009346700000000, 0.0002549000000000 ] - [ 0.0089773300000000, -0.0072337400000000, 0.0027112700000000 ] - [ -0.0004579800000000, -0.0052520900000000, -0.0001496300000000 ] - [ -0.0004617900000000, 0.0022132900000000, 0.0001402500000000 ] - [ -0.0000995800000000, 0.0027292200000000, -0.0000367000000000 ] - [ 0.0001406600000000, 0.0007818400000000, -0.0000116600000000 ] - [ -0.0015090100000000, 0.0005336600000000, 0.0000247900000000 ] - [ -0.0004556300000000, 0.0021082500000000, 0.0000326700000000 ] - [ -0.0034970800000000, 0.0035150200000000, 0.0017539000000000 ] - [ -0.0052548700000000, -0.0033065600000000, 0.0024906000000000 ] - [ -0.0038953400000000, -0.0027964000000000, -0.0073264200000000 ] - [ -0.0189531400000000, 0.0095784900000000, -0.0041671300000000 ] - [ 0.0037734500000000, -0.0092971800000000, 0.0024195200000000 ] - [ 0.0010753200000000, 0.0031713200000000, 0.0001193900000000 ] - [ 0.0001733200000000, 0.0005924100000000, 0.0001426700000000 ] - [ 0.0000030000000000, -0.0004482300000000, 0.0000461200000000 ] - [ 0.0013014400000000, 0.0023252700000000, 0.0000710300000000 ] - [ 0.0836243300000000, -0.2019020300000000, -0.0307228000000000 ] - [ -0.0162862600000000, -0.0041907900000000, 0.0029268700000000 ] - [ 0.0001566800000000, 0.0018454100000000, -0.0004938100000000 ] - [ -0.0014164700000000, 0.0026941100000000, -0.0000000200000000 ] - [ 0.0026143700000000, 0.0051562200000000, 0.0005184700000000 ] - [ -0.0006818800000000, 0.0018450500000000, 0.0000210300000000 ] - [ -0.0000933500000000, 0.0017447500000000, 0.0002582100000000 ] - [ 0.0005169500000000, -0.0048476800000000, 0.0012200600000000 ] - [ -0.0016004400000000, 0.0006546900000000, 0.0000069600000000 ] - [ 0.0004309200000000, -0.0011597800000000, -0.0000744700000000 ] - [ 0.0015750200000000, 0.0013029200000000, -0.0001079900000000 ] - [ 0.0002030400000000, 0.0015950900000000, 0.0000252000000000 ] - [ -0.0001724700000000, 0.0020539100000000, 0.0000647900000000 ] - [ -0.0006423300000000, 0.0014501600000000, -0.0000160100000000 ] - [ 0.0002212600000000, 0.0016469800000000, 0.0002644800000000 ] - [ 0.0011600800000000, 0.0031877100000000, 0.0000692200000000 ] - [ -0.0006714500000000, 0.0013348600000000, -0.0003089300000000 ] - [ 0.0005164000000000, 0.0018340700000000, 0.0001653800000000 ] - [ -0.0013852200000000, -0.0012806600000000, -0.0003780500000000 ] - [ 0.0004187900000000, 0.0020055200000000, 0.0003693100000000 ] - [ 0.0008874100000000, -0.0034317900000000, 0.0000154600000000 ] - [ 0.0004627400000000, 0.0012185200000000, -0.0001122100000000 ] - [ -0.0014931500000000, 0.0036422800000000, -0.0000675400000000 ] - [ 0.0004523000000000, 0.0011788900000000, -0.0001261800000000 ] - [ -0.0007508800000000, 0.0016444600000000, 0.0001031800000000 ] - [ -0.0025936900000000, 0.0306412600000000, 0.0034469900000000 ] - [ 0.0059947000000000, -0.0012252200000000, -0.0013910200000000 ] - [ 0.0000904900000000, 0.0002032300000000, 0.0000924700000000 ] - [ -0.0031730700000000, 0.0018716000000000, 0.0004511700000000 ] - [ -0.0007209700000000, 0.0026450500000000, -0.0000212900000000 ] - [ -0.0003428900000000, 0.0025342000000000, -0.0000091100000000 ] - [ 0.0014285800000000, 0.0025795900000000, -0.0000717700000000 ] - [ 0.0012841900000000, 0.0042799000000000, 0.0014168300000000 ] - [ -0.0001983300000000, 0.0013713300000000, 0.0000852200000000 ] - [ -0.0000970700000000, -0.0018826900000000, -0.0007828300000000 ] - [ -0.0047379800000000, -0.0016053000000000, -0.0005254000000000 ]- atom: 69 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001023300000000, 0.0019370600000000, 0.0000737000000000 ] - [ -0.0021593300000000, -0.0043903400000000, 0.0007871800000000 ] - [ 0.0017216500000000, 0.0008239200000000, -0.0001723700000000 ] - [ -0.0034945800000000, -0.0003404200000000, -0.0007738600000000 ] - [ -0.0001311100000000, 0.0024906300000000, -0.0001083900000000 ] - [ -0.0051785900000000, -0.0110924700000000, 0.0024260400000000 ] - [ -0.0005549900000000, 0.0015090200000000, -0.0001207500000000 ] - [ 0.0001344400000000, 0.0023475400000000, -0.0001726300000000 ] - [ -0.0010673600000000, 0.0018963800000000, 0.0004337000000000 ] - [ -0.0004221600000000, 0.0013824100000000, 0.0000831600000000 ] - [ -0.0013226800000000, 0.0019983300000000, -0.0004885500000000 ] - [ 0.0009834900000000, 0.0025343200000000, 0.0008171700000000 ] - [ -0.0003562900000000, 0.0013739700000000, -0.0000480200000000 ] - [ 0.0007061400000000, 0.0027942500000000, -0.0007996700000000 ] - [ 0.0020926700000000, -0.0030923400000000, 0.0012819700000000 ] - [ 0.0015344400000000, -0.0027394900000000, -0.0012430100000000 ] - [ 0.0001746300000000, 0.0023065300000000, -0.0000588400000000 ] - [ 0.0085864600000000, 0.0046914000000000, -0.0083911800000000 ] - [ 0.0233232300000000, -0.0813093100000000, -0.0266844500000000 ] - [ 0.0002785500000000, 0.0041668300000000, -0.0009473300000000 ] - [ 0.0002069400000000, -0.0021108400000000, -0.0011502300000000 ] - [ -0.0005237800000000, -0.0002110600000000, 0.0002580800000000 ] - [ -0.0002281300000000, 0.0022755200000000, 0.0000065900000000 ] - [ -0.0020932900000000, 0.0025404200000000, 0.0006891200000000 ] - [ 0.0000058900000000, 0.0026433100000000, 0.0000185100000000 ] - [ -0.0002015100000000, 0.0030362300000000, -0.0001671300000000 ] - [ -0.0001546100000000, 0.0026247200000000, 0.0000021700000000 ] - [ -0.0073616400000000, 0.0026629400000000, -0.0046031900000000 ] - [ -0.0003463900000000, 0.0025256800000000, 0.0001923400000000 ] - [ -0.0003248400000000, 0.0024823100000000, -0.0001772600000000 ] - [ -0.0014185800000000, -0.0022678200000000, 0.0006842200000000 ] - [ 0.0007679600000000, 0.0007221800000000, -0.0000545100000000 ] - [ -0.0005040700000000, 0.0023872800000000, -0.0002190000000000 ] - [ 0.0004173100000000, 0.0013853800000000, -0.0003121500000000 ] - [ 0.0070852300000000, -0.0454825000000000, -0.0093874700000000 ] - [ -0.0006122200000000, 0.0090596100000000, 0.0066530200000000 ] - [ 0.0037458900000000, -0.0050935700000000, -0.0014312900000000 ] - [ -0.0015711100000000, -0.0003790100000000, -0.0002507800000000 ] - [ 0.0021143400000000, 0.0015115100000000, 0.0001644400000000 ] - [ 0.0003902900000000, -0.0001988500000000, 0.0002527100000000 ] - [ -0.0002382100000000, 0.0024172900000000, 0.0000658200000000 ] - [ -0.0000229800000000, 0.0027920400000000, -0.0001262900000000 ] - [ 0.0252567800000000, -0.0498310800000000, 0.0132416000000000 ] - [ 0.0020625700000000, 0.0034779700000000, 0.0005580100000000 ] - [ -0.0023853100000000, 0.0076647500000000, 0.0046580300000000 ] - [ -0.0073751800000000, -0.0084826200000000, 0.0004633500000000 ] - [ 0.0009333800000000, 0.0022099200000000, 0.0004422100000000 ] - [ -0.0001940700000000, 0.0027535800000000, -0.0002389300000000 ] - [ 0.0000345300000000, -0.0022283800000000, 0.0000993500000000 ] - [ 0.0000333900000000, -0.0026619000000000, 0.0001553700000000 ] - [ -0.0007727400000000, -0.0022138700000000, 0.0000059000000000 ] - [ 0.0006974100000000, 0.0011240900000000, 0.0002219700000000 ] - [ -0.0084063800000000, 0.0071647700000000, -0.0027678400000000 ] - [ 0.0003403800000000, 0.0054259500000000, 0.0000925100000000 ] - [ 0.0003970500000000, -0.0024625100000000, -0.0000689000000000 ] - [ -0.0000132400000000, -0.0028902300000000, -0.0000132200000000 ] - [ 0.0002779400000000, -0.0008412700000000, 0.0000120700000000 ] - [ 0.0015656500000000, -0.0007881500000000, 0.0000487400000000 ] - [ 0.0000368500000000, -0.0020517000000000, -0.0000323400000000 ] - [ 0.0036694400000000, -0.0035568700000000, -0.0015691100000000 ] - [ 0.0054389300000000, 0.0033128700000000, -0.0026812200000000 ] - [ 0.0043021700000000, 0.0028790900000000, 0.0073245300000000 ] - [ 0.0190153000000000, -0.0095792900000000, 0.0039503100000000 ] - [ -0.0038115500000000, 0.0089950000000000, -0.0024144000000000 ] - [ -0.0012850000000000, -0.0024610600000000, 0.0000476600000000 ] - [ -0.0005477000000000, -0.0006669000000000, 0.0004907000000000 ] - [ -0.0006096700000000, 0.0003084800000000, -0.0002121100000000 ] - [ -0.0015013300000000, -0.0023798100000000, 0.0000977800000000 ] - [ -0.0807607000000000, 0.1974533000000000, 0.0270357900000000 ] - [ 0.0169528300000000, 0.0034625200000000, -0.0032600500000000 ] - [ -0.0002744900000000, -0.0019144100000000, 0.0002913800000000 ] - [ 0.0014468000000000, -0.0024315200000000, 0.0000702700000000 ] - [ -0.0022236000000000, -0.0051985900000000, 0.0001162700000000 ] - [ 0.0006450500000000, -0.0020995500000000, 0.0000494600000000 ] - [ -0.0004801300000000, -0.0017617800000000, -0.0001318300000000 ] - [ 0.0000801700000000, 0.0049825000000000, -0.0013820900000000 ] - [ 0.0008487200000000, 0.0000782200000000, -0.0003811000000000 ] - [ -0.0002410500000000, 0.0011878300000000, 0.0002421900000000 ] - [ -0.0008148100000000, -0.0005783000000000, -0.0002647800000000 ] - [ -0.0002717900000000, -0.0013425900000000, 0.0000477300000000 ] - [ -0.0003294500000000, -0.0022824700000000, -0.0003149700000000 ] - [ 0.0001303600000000, -0.0015455000000000, -0.0000838000000000 ] - [ -0.0001052100000000, -0.0015750000000000, -0.0004654900000000 ] - [ -0.0008626600000000, -0.0033877700000000, 0.0004088300000000 ] - [ -0.0000785000000000, -0.0020610200000000, -0.0000642800000000 ] - [ -0.0008059200000000, -0.0020342100000000, 0.0003128700000000 ] - [ 0.0017506500000000, 0.0013564900000000, 0.0010096100000000 ] - [ -0.0007876500000000, -0.0019235200000000, 0.0002631200000000 ] - [ -0.0006940900000000, 0.0027038200000000, 0.0001444100000000 ] - [ 0.0000515700000000, -0.0011202600000000, 0.0000120800000000 ] - [ 0.0010745000000000, -0.0036950900000000, 0.0000688800000000 ] - [ 0.0001204100000000, -0.0011617100000000, 0.0002522400000000 ] - [ 0.0005498300000000, -0.0015860000000000, 0.0000654200000000 ] - [ 0.0030375300000000, -0.0303023600000000, -0.0036771800000000 ] - [ -0.0058913800000000, 0.0014498000000000, 0.0014528400000000 ] - [ 0.0004077100000000, 0.0000170700000000, -0.0003392600000000 ] - [ 0.0025947400000000, -0.0018417700000000, -0.0003271300000000 ] - [ 0.0009241500000000, -0.0019248000000000, 0.0001853100000000 ] - [ 0.0004580000000000, -0.0023617200000000, -0.0000407900000000 ] - [ -0.0008235400000000, -0.0027164200000000, -0.0000930800000000 ] - [ -0.0013089600000000, -0.0040300100000000, -0.0013642800000000 ] - [ -0.0000095600000000, -0.0020834000000000, 0.0000803000000000 ] - [ 0.0002179300000000, 0.0017248500000000, 0.0007360000000000 ] - [ 0.0042295200000000, 0.0017115200000000, 0.0004315400000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000023400000000, -0.0003013400000000, -0.0000201000000000 ] - [ -0.0006953000000000, 0.0012011300000000, -0.0002651200000000 ] - [ 0.0000812300000000, -0.0001478800000000, -0.0001009000000000 ] - [ 0.0003120100000000, 0.0006440700000000, 0.0005096300000000 ] - [ 0.0000094800000000, -0.0001767800000000, -0.0000002200000000 ] - [ -0.0042394900000000, -0.0029196800000000, 0.0040818700000000 ] - [ -0.0000789100000000, -0.0001235200000000, -0.0001367500000000 ] - [ -0.0000998000000000, -0.0002755400000000, -0.0001215900000000 ] - [ 0.0002819000000000, -0.0001345000000000, -0.0000661700000000 ] - [ -0.0001922000000000, -0.0002139400000000, -0.0001002500000000 ] - [ 0.0002163000000000, -0.0001466900000000, 0.0000901900000000 ] - [ -0.0003770500000000, -0.0002509700000000, -0.0001366100000000 ] - [ -0.0001283500000000, -0.0002113800000000, 0.0001191000000000 ] - [ -0.0003495600000000, -0.0003186100000000, 0.0001417400000000 ] - [ 0.0002610000000000, -0.0019448300000000, 0.0030918400000000 ] - [ 0.0001050200000000, -0.0024195800000000, -0.0031208900000000 ] - [ 0.0000993200000000, -0.0005404900000000, -0.0000233400000000 ] - [ -0.0028898200000000, 0.0027033800000000, -0.0002807600000000 ] - [ -0.0106323000000000, 0.0233945900000000, 0.0390859200000000 ] - [ 0.0002614000000000, -0.0005321100000000, -0.0000844900000000 ] - [ -0.0013626800000000, 0.0010821000000000, 0.0008838100000000 ] - [ -0.0000568200000000, -0.0008268300000000, 0.0004469200000000 ] - [ -0.0001147700000000, -0.0002525500000000, -0.0000502000000000 ] - [ -0.0003743100000000, -0.0000048600000000, -0.0001715000000000 ] - [ 0.0000878900000000, -0.0000636900000000, 0.0000295800000000 ] - [ 0.0000394600000000, -0.0004996500000000, 0.0000895900000000 ] - [ 0.0003305600000000, -0.0003249500000000, -0.0000581200000000 ] - [ 0.0000592500000000, 0.0003919000000000, 0.0006747800000000 ] - [ -0.0002135700000000, -0.0003670800000000, 0.0001350500000000 ] - [ -0.0001893800000000, -0.0001527700000000, -0.0001928100000000 ] - [ -0.0004979000000000, -0.0002223300000000, -0.0010663400000000 ] - [ 0.0000635800000000, -0.0003200800000000, 0.0000284200000000 ] - [ 0.0001270300000000, -0.0002727800000000, -0.0000323400000000 ] - [ 0.0001910300000000, -0.0003273700000000, -0.0001663300000000 ] - [ 0.0272096900000000, 0.0103836200000000, 0.0956149800000000 ] - [ 0.0003217100000000, -0.0005934800000000, -0.0002945800000000 ] - [ -0.0077436800000000, 0.0009718400000000, 0.0029072400000000 ] - [ -0.0000007200000000, -0.0003176400000000, 0.0001731100000000 ] - [ 0.0000474400000000, -0.0003795000000000, -0.0002251300000000 ] - [ -0.0007014100000000, -0.0003691500000000, 0.0000264200000000 ] - [ -0.0000765700000000, -0.0002329900000000, 0.0000575900000000 ] - [ -0.0002754700000000, -0.0002177200000000, -0.0000551700000000 ] - [ 0.0421367100000000, -0.0070213400000000, 0.0466765500000000 ] - [ -0.0001269600000000, -0.0000291200000000, -0.0000321600000000 ] - [ 0.0002903200000000, 0.0016000100000000, 0.0000526700000000 ] - [ 0.0012859200000000, 0.0021575500000000, -0.0016124100000000 ] - [ -0.0000966000000000, -0.0002077500000000, 0.0001894500000000 ] - [ -0.0003143000000000, -0.0001371800000000, -0.0000854600000000 ] - [ -0.0001957900000000, 0.0002779000000000, -0.0000974300000000 ] - [ -0.0001396600000000, 0.0003784400000000, 0.0002361200000000 ] - [ -0.0002478500000000, 0.0003016400000000, -0.0000918500000000 ] - [ 0.0004801700000000, -0.0001480900000000, 0.0002909400000000 ] - [ 0.0151816100000000, 0.0026569100000000, 0.0088357700000000 ] - [ 0.0005911600000000, -0.0003842700000000, -0.0010250600000000 ] - [ 0.0000563500000000, 0.0000592700000000, 0.0000821200000000 ] - [ -0.0001076000000000, 0.0001728200000000, -0.0000262800000000 ] - [ 0.0001877200000000, 0.0001202400000000, 0.0000061500000000 ] - [ 0.0000333100000000, -0.0000188100000000, 0.0000144100000000 ] - [ -0.0002439500000000, 0.0002576600000000, 0.0000042400000000 ] - [ -0.0000407400000000, 0.0002314800000000, 0.0002797600000000 ] - [ 0.0055177800000000, -0.0091611200000000, 0.0440611400000000 ] - [ 0.0032411000000000, 0.0047293900000000, 0.0357469500000000 ] - [ -0.0035805700000000, 0.0015249300000000, 0.0001747200000000 ] - [ 0.0097693000000000, -0.0000049300000000, 0.0005280000000000 ] - [ 0.0001499900000000, -0.0001888800000000, 0.0002680200000000 ] - [ -0.0003243000000000, 0.0003335400000000, 0.0003355400000000 ] - [ -0.0002943200000000, 0.0001530100000000, -0.0001422800000000 ] - [ -0.0000806400000000, 0.0001304700000000, 0.0001045200000000 ] - [ -0.0737001200000000, -0.0285337100000000, -0.2745939800000000 ] - [ -0.0025350400000000, 0.0010270300000000, -0.0032964500000000 ] - [ -0.0000193300000000, 0.0001695800000000, -0.0001377000000000 ] - [ -0.0000622000000000, 0.0003516000000000, 0.0000333900000000 ] - [ 0.0002676700000000, 0.0001665100000000, 0.0002980600000000 ] - [ -0.0000903900000000, 0.0000958200000000, 0.0000350500000000 ] - [ -0.0002605700000000, 0.0001851900000000, 0.0000839700000000 ] - [ 0.0025531900000000, -0.0018457300000000, -0.0001266600000000 ] - [ 0.0000745300000000, 0.0006590300000000, -0.0002202400000000 ] - [ 0.0006926300000000, 0.0014482700000000, 0.0002234100000000 ] - [ 0.0003698800000000, 0.0005813300000000, -0.0001926500000000 ] - [ -0.0000120700000000, 0.0003026900000000, 0.0000392300000000 ] - [ -0.0002927700000000, 0.0001494300000000, -0.0001236200000000 ] - [ -0.0002959400000000, 0.0001045700000000, -0.0000462500000000 ] - [ 0.0000963200000000, 0.0002307600000000, -0.0000651000000000 ] - [ 0.0002482400000000, 0.0002172400000000, 0.0001715200000000 ] - [ -0.0004143400000000, -0.0001915600000000, -0.0001981900000000 ] - [ -0.0001958500000000, 0.0001371800000000, 0.0002150300000000 ] - [ -0.0002126500000000, -0.0003431700000000, 0.0002544000000000 ] - [ -0.0001177700000000, 0.0002337100000000, 0.0003259200000000 ] - [ 0.0012075800000000, -0.0001979000000000, -0.0000344900000000 ] - [ 0.0002420900000000, 0.0001905900000000, -0.0000571600000000 ] - [ -0.0002705300000000, 0.0004346300000000, -0.0000829000000000 ] - [ 0.0003211300000000, 0.0001977200000000, 0.0000422100000000 ] - [ -0.0001398600000000, 0.0002184600000000, 0.0000916000000000 ] - [ -0.0007583000000000, 0.0006363800000000, 0.0001266400000000 ] - [ -0.0010948200000000, -0.0005592900000000, 0.0004936000000000 ] - [ 0.0004151100000000, 0.0003618300000000, -0.0002631000000000 ] - [ -0.0001649500000000, -0.0003853600000000, 0.0001027800000000 ] - [ 0.0000651600000000, 0.0005792400000000, 0.0000846400000000 ] - [ 0.0000107500000000, 0.0003335400000000, -0.0000250700000000 ] - [ 0.0003695200000000, 0.0001720700000000, -0.0000678500000000 ] - [ -0.0005709000000000, 0.0000321100000000, 0.0004743200000000 ] - [ -0.0001040500000000, -0.0001654900000000, 0.0000834800000000 ] - [ 0.0021425500000000, 0.0012953100000000, 0.0001275400000000 ] - [ 0.0002950800000000, -0.0004427700000000, 0.0000324300000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000018300000000, 0.0001721700000000, -0.0000001600000000 ] - [ 0.0007028000000000, -0.0013431800000000, 0.0002444300000000 ] - [ 0.0000745600000000, 0.0002976200000000, -0.0001517900000000 ] - [ -0.0001228300000000, -0.0008170200000000, -0.0007726700000000 ] - [ -0.0000089500000000, 0.0003071700000000, -0.0000197400000000 ] - [ 0.0042745700000000, 0.0030696800000000, -0.0041645800000000 ] - [ -0.0000778400000000, 0.0002701800000000, -0.0001146600000000 ] - [ -0.0000589300000000, 0.0001297300000000, -0.0001294700000000 ] - [ 0.0001405300000000, 0.0002297800000000, -0.0000999100000000 ] - [ -0.0002289700000000, 0.0001197500000000, -0.0000663000000000 ] - [ 0.0000769800000000, 0.0002398100000000, 0.0001139700000000 ] - [ 0.0000893400000000, 0.0003503000000000, 0.0003509700000000 ] - [ -0.0001645900000000, 0.0001204700000000, 0.0000858600000000 ] - [ -0.0000678200000000, 0.0004189300000000, -0.0003172500000000 ] - [ 0.0000423000000000, 0.0018790000000000, -0.0029168400000000 ] - [ 0.0003059800000000, 0.0023632300000000, 0.0029843100000000 ] - [ 0.0001090400000000, -0.0000103400000000, -0.0000267500000000 ] - [ 0.0026783400000000, -0.0023494200000000, 0.0002776700000000 ] - [ 0.0101947500000000, -0.0222451600000000, -0.0388063200000000 ] - [ 0.0003380300000000, 0.0002694400000000, -0.0001296500000000 ] - [ 0.0019806700000000, -0.0008312600000000, -0.0011015500000000 ] - [ 0.0002706900000000, 0.0013828300000000, -0.0004995000000000 ] - [ -0.0001214100000000, 0.0002712300000000, -0.0000299800000000 ] - [ 0.0001658300000000, -0.0000444200000000, 0.0002664600000000 ] - [ 0.0000567700000000, 0.0005131400000000, 0.0000446300000000 ] - [ 0.0000957900000000, 0.0000497200000000, -0.0000116000000000 ] - [ 0.0002474500000000, 0.0002142400000000, -0.0000533500000000 ] - [ -0.0004330700000000, -0.0006128600000000, -0.0010152300000000 ] - [ -0.0001749900000000, 0.0001554400000000, 0.0001666900000000 ] - [ -0.0002032100000000, 0.0003600100000000, -0.0001861400000000 ] - [ 0.0010882200000000, 0.0003360800000000, 0.0009599700000000 ] - [ 0.0001455700000000, 0.0002725400000000, 0.0000764400000000 ] - [ 0.0001105500000000, 0.0002557700000000, -0.0000475100000000 ] - [ 0.0002019600000000, 0.0001229000000000, -0.0002125800000000 ] - [ -0.0296141500000000, -0.0110666800000000, -0.1043097500000000 ] - [ 0.0000693300000000, 0.0008061800000000, 0.0006453900000000 ] - [ 0.0072159100000000, -0.0010866500000000, -0.0030281400000000 ] - [ -0.0001404400000000, -0.0001269100000000, -0.0001002500000000 ] - [ -0.0006468000000000, 0.0001229500000000, 0.0000219600000000 ] - [ 0.0010960300000000, 0.0001638400000000, 0.0002797200000000 ] - [ -0.0001322100000000, 0.0002856000000000, 0.0000463900000000 ] - [ -0.0003043000000000, 0.0003297200000000, -0.0000582800000000 ] - [ -0.0402974000000000, 0.0063423800000000, -0.0462642200000000 ] - [ -0.0000823500000000, 0.0005824500000000, -0.0000137800000000 ] - [ -0.0005944200000000, -0.0015707900000000, -0.0001726000000000 ] - [ -0.0015138000000000, -0.0027504200000000, 0.0015725200000000 ] - [ -0.0002891000000000, 0.0004213500000000, 0.0001129400000000 ] - [ -0.0002835000000000, 0.0003941000000000, -0.0001178000000000 ] - [ -0.0003034800000000, -0.0000483500000000, -0.0001520500000000 ] - [ -0.0001461600000000, -0.0001753900000000, 0.0002418000000000 ] - [ -0.0003524400000000, -0.0001605400000000, -0.0000730800000000 ] - [ -0.0001979900000000, 0.0003494600000000, 0.0001863100000000 ] - [ -0.0148841000000000, -0.0028401800000000, -0.0090453400000000 ] - [ -0.0007135900000000, 0.0005569500000000, 0.0009863400000000 ] - [ -0.0001254000000000, -0.0003123500000000, -0.0000095400000000 ] - [ -0.0000075200000000, -0.0003441800000000, -0.0000235600000000 ] - [ 0.0002295600000000, -0.0001748500000000, -0.0000069600000000 ] - [ 0.0000350000000000, -0.0002294900000000, 0.0000585200000000 ] - [ -0.0001732600000000, -0.0002059600000000, -0.0000046200000000 ] - [ 0.0002431200000000, -0.0002892600000000, -0.0001229200000000 ] - [ -0.0051523200000000, 0.0087186100000000, -0.0443004700000000 ] - [ -0.0029431900000000, -0.0042542900000000, -0.0358357800000000 ] - [ 0.0034059300000000, -0.0013853100000000, -0.0003764600000000 ] - [ -0.0097686200000000, -0.0002730700000000, -0.0005890400000000 ] - [ -0.0003617300000000, 0.0009139800000000, -0.0000993000000000 ] - [ -0.0000473200000000, -0.0004126800000000, 0.0002972400000000 ] - [ -0.0003098500000000, -0.0002957500000000, -0.0000218600000000 ] - [ -0.0001208800000000, -0.0001893300000000, 0.0000643000000000 ] - [ 0.0762045900000000, 0.0292051300000000, 0.2829181400000000 ] - [ 0.0033479700000000, -0.0017847300000000, 0.0028803400000000 ] - [ -0.0000976000000000, -0.0002422800000000, -0.0000632100000000 ] - [ 0.0001006300000000, -0.0000968700000000, 0.0000375600000000 ] - [ 0.0000984700000000, -0.0002537700000000, 0.0003324800000000 ] - [ 0.0000521300000000, -0.0003526800000000, 0.0000358600000000 ] - [ -0.0003117700000000, -0.0002049000000000, 0.0000416600000000 ] - [ -0.0019798200000000, 0.0020090000000000, -0.0000415900000000 ] - [ -0.0008258900000000, 0.0000671500000000, -0.0001517500000000 ] - [ -0.0005016600000000, -0.0014092900000000, -0.0000549200000000 ] - [ 0.0003793900000000, 0.0001442700000000, -0.0001809000000000 ] - [ -0.0000598100000000, -0.0000531000000000, 0.0000337500000000 ] - [ -0.0002081300000000, -0.0003822400000000, -0.0001264300000000 ] - [ -0.0002149000000000, -0.0002050600000000, -0.0000532900000000 ] - [ 0.0000199000000000, -0.0001598000000000, -0.0001362000000000 ] - [ 0.0000469400000000, -0.0003915900000000, 0.0003112100000000 ] - [ -0.0003340100000000, -0.0005373200000000, -0.0001751600000000 ] - [ -0.0000920200000000, -0.0003401500000000, 0.0002639000000000 ] - [ 0.0005911200000000, 0.0004227800000000, 0.0003864400000000 ] - [ -0.0002527200000000, -0.0001560800000000, 0.0003070300000000 ] - [ -0.0010168700000000, -0.0005269000000000, 0.0001944100000000 ] - [ 0.0002699900000000, -0.0000909100000000, -0.0000421400000000 ] - [ -0.0001504100000000, -0.0004732600000000, 0.0000815300000000 ] - [ 0.0002506000000000, -0.0001806300000000, 0.0000838700000000 ] - [ -0.0000573000000000, -0.0001643900000000, 0.0000770800000000 ] - [ 0.0012931700000000, -0.0010014200000000, -0.0004079700000000 ] - [ 0.0011987000000000, 0.0008161500000000, -0.0004086200000000 ] - [ 0.0000836600000000, -0.0001353700000000, 0.0000153800000000 ] - [ -0.0003914500000000, 0.0003930100000000, 0.0000257500000000 ] - [ 0.0001389700000000, 0.0001376300000000, 0.0000820700000000 ] - [ 0.0001046400000000, -0.0001647200000000, -0.0000248500000000 ] - [ 0.0002326500000000, -0.0003103700000000, -0.0000968100000000 ] - [ 0.0005349000000000, 0.0001915700000000, -0.0003916400000000 ] - [ -0.0001014100000000, -0.0005510800000000, 0.0000823500000000 ] - [ -0.0020484800000000, -0.0014773300000000, -0.0001842300000000 ] - [ -0.0008226700000000, 0.0005468900000000, -0.0001365700000000 ]- atom: 70 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003911400000000, -0.0001722300000000, -0.0000194000000000 ] - [ -0.0054759400000000, -0.0023538300000000, -0.0004240200000000 ] - [ -0.0040372500000000, 0.0001145400000000, -0.0001265700000000 ] - [ 0.0189807300000000, 0.0014375200000000, 0.0006797900000000 ] - [ 0.0003417300000000, -0.0008267900000000, 0.0000293800000000 ] - [ 0.0085780600000000, 0.0049477000000000, -0.0004352700000000 ] - [ -0.0006482600000000, -0.0009717100000000, -0.0000815200000000 ] - [ 0.0001227900000000, -0.0002217900000000, -0.0001373600000000 ] - [ 0.0030909500000000, -0.0004554100000000, -0.0015084100000000 ] - [ -0.0003196900000000, -0.0003126500000000, -0.0001077700000000 ] - [ 0.0031548100000000, -0.0004414000000000, 0.0015503900000000 ] - [ 0.0006077900000000, 0.0009324400000000, 0.0006258800000000 ] - [ -0.0002581400000000, -0.0003074800000000, 0.0001224400000000 ] - [ 0.0005092600000000, 0.0009150200000000, -0.0005863000000000 ] - [ -0.0086161800000000, -0.0001869300000000, 0.0000597600000000 ] - [ -0.0075474600000000, -0.0006102200000000, -0.0000071500000000 ] - [ 0.0001690500000000, -0.0008585600000000, -0.0000303400000000 ] - [ -0.0121919100000000, -0.0073318400000000, 0.0067901400000000 ] - [ 0.2378881200000000, 0.0224781600000000, 0.0233237300000000 ] - [ 0.0011632600000000, -0.0051765100000000, 0.0000839300000000 ] - [ -0.0116557500000000, 0.0047826600000000, -0.0089477000000000 ] - [ -0.0010960800000000, -0.0036858200000000, -0.0004352100000000 ] - [ 0.0001490800000000, -0.0000370300000000, 0.0000565600000000 ] - [ -0.0026024200000000, 0.0002165400000000, 0.0000045300000000 ] - [ 0.0001170400000000, -0.0006751000000000, 0.0001472100000000 ] - [ -0.0004456400000000, -0.0002024000000000, -0.0000056400000000 ] - [ 0.0006582400000000, -0.0008794300000000, -0.0001082900000000 ] - [ -0.0066858500000000, 0.0005229800000000, -0.0014548000000000 ] - [ -0.0005909300000000, -0.0003597200000000, 0.0001786700000000 ] - [ 0.0002796100000000, -0.0003996300000000, -0.0001276900000000 ] - [ -0.0061625200000000, -0.0090283500000000, 0.0047548400000000 ] - [ -0.0026254000000000, 0.0031670100000000, 0.0007125300000000 ] - [ 0.0013263800000000, -0.0002143000000000, 0.0001344400000000 ] - [ -0.0005320300000000, 0.0013492300000000, -0.0000450600000000 ] - [ 0.0097350300000000, 0.0170084400000000, 0.0076777300000000 ] - [ 0.0038528700000000, -0.0133854000000000, -0.0045782000000000 ] - [ 0.0172267700000000, -0.0124842500000000, -0.0058573000000000 ] - [ 0.0025820300000000, 0.0067898400000000, 0.0000325400000000 ] - [ 0.0032821100000000, -0.0017011900000000, 0.0004159600000000 ] - [ -0.0105145300000000, 0.0112169600000000, 0.0064434700000000 ] - [ 0.0002991200000000, -0.0004792500000000, 0.0000814100000000 ] - [ -0.0016118600000000, -0.0011816700000000, -0.0001484100000000 ] - [ -0.0135477100000000, 0.0037177900000000, -0.0069863900000000 ] - [ -0.0039237200000000, -0.0017863800000000, -0.0005003700000000 ] - [ -0.0025292400000000, 0.0057364600000000, 0.0000253700000000 ] - [ 0.2142556800000000, 0.0520824600000000, -0.0283180400000000 ] - [ 0.0012856200000000, -0.0007339300000000, 0.0002751700000000 ] - [ -0.0006541300000000, -0.0001864100000000, -0.0001462300000000 ] - [ 0.0003216500000000, 0.0002721200000000, 0.0000137500000000 ] - [ 0.0000428500000000, 0.0002819500000000, 0.0001801600000000 ] - [ -0.0001882000000000, 0.0005957600000000, -0.0001011400000000 ] - [ 0.0025007900000000, -0.0061181700000000, 0.0006822400000000 ] - [ -0.0168297300000000, -0.0043376900000000, -0.0002352300000000 ] - [ 0.0104459600000000, 0.0219583100000000, 0.0015626000000000 ] - [ 0.0000728300000000, -0.0005133100000000, 0.0000496900000000 ] - [ 0.0006058300000000, 0.0011895200000000, -0.0000843700000000 ] - [ 0.0011126500000000, -0.0025987200000000, 0.0000508400000000 ] - [ -0.0036733200000000, -0.0021145700000000, 0.0001240000000000 ] - [ -0.0004835900000000, 0.0005936200000000, 0.0000193700000000 ] - [ -0.0053225300000000, 0.0037969000000000, 0.0011146400000000 ] - [ 0.0024937200000000, -0.0058504200000000, -0.0004699200000000 ] - [ 0.0152758800000000, 0.0016282800000000, 0.0147016100000000 ] - [ 0.0060527900000000, -0.0044511500000000, 0.0005733500000000 ] - [ 0.0077012200000000, 0.0017018000000000, 0.0013880700000000 ] - [ -0.0018202300000000, -0.0007908400000000, 0.0000798100000000 ] - [ -0.0014370500000000, 0.0017431000000000, 0.0003542400000000 ] - [ -0.0010914100000000, 0.0046509500000000, -0.0001562800000000 ] - [ -0.0010761000000000, -0.0004430200000000, 0.0001181200000000 ] - [ 0.0259365900000000, -0.0167452000000000, -0.0029259900000000 ] - [ -0.5800311200000000, -0.0942219700000000, 0.0010949500000000 ] - [ -0.0004054400000000, 0.0001816700000000, -0.0002453700000000 ] - [ -0.0017767800000000, 0.0012213200000000, 0.0000190400000000 ] - [ 0.0021010700000000, 0.0053258400000000, 0.0003662300000000 ] - [ -0.0000927100000000, 0.0000992000000000, 0.0000090800000000 ] - [ -0.0005307500000000, 0.0002864400000000, 0.0001025100000000 ] - [ 0.0115065500000000, 0.0073398900000000, -0.0129104600000000 ] - [ 0.0018984400000000, 0.0016435700000000, -0.0000273400000000 ] - [ 0.0088116200000000, -0.0004080100000000, -0.0012649100000000 ] - [ 0.0036191800000000, -0.0002976100000000, -0.0002001100000000 ] - [ 0.0000320000000000, 0.0005829800000000, 0.0000228900000000 ] - [ -0.0006550800000000, 0.0005368400000000, -0.0002504200000000 ] - [ -0.0006491900000000, 0.0003896800000000, -0.0000483300000000 ] - [ -0.0003032200000000, -0.0002511000000000, -0.0000003000000000 ] - [ 0.0012906300000000, 0.0057769600000000, 0.0001014300000000 ] - [ -0.0006840900000000, -0.0000150300000000, -0.0001972000000000 ] - [ -0.0009365600000000, 0.0010353800000000, 0.0002408200000000 ] - [ 0.0339999500000000, -0.0137421500000000, 0.0074539900000000 ] - [ 0.0000604600000000, 0.0003766900000000, 0.0003403000000000 ] - [ 0.0121577100000000, 0.0000450800000000, 0.0020833600000000 ] - [ 0.0015267500000000, -0.0001098800000000, -0.0000970300000000 ] - [ 0.0013857400000000, -0.0003813300000000, -0.0001164200000000 ] - [ 0.0002240000000000, -0.0011834800000000, 0.0000578700000000 ] - [ 0.0001403500000000, 0.0003442700000000, 0.0000939000000000 ] - [ 0.0183365900000000, 0.0176799600000000, -0.0048890000000000 ] - [ 0.0122597800000000, -0.0000573700000000, -0.0013288900000000 ] - [ 0.0023868200000000, -0.0055313300000000, -0.0002680100000000 ] - [ 0.0029820300000000, -0.0012202700000000, -0.0003873100000000 ] - [ -0.0021123500000000, 0.0018585100000000, 0.0000445200000000 ] - [ 0.0000530400000000, 0.0008732200000000, 0.0000168700000000 ] - [ 0.0018034100000000, 0.0020711300000000, -0.0001674200000000 ] - [ -0.0007285200000000, -0.0022029700000000, 0.0001285400000000 ] - [ 0.0001461000000000, -0.0001485500000000, 0.0000929400000000 ] - [ -0.0003037700000000, 0.0054126000000000, 0.0004801400000000 ] - [ 0.0068544400000000, 0.0024724900000000, -0.0004728800000000 ]- atom: 70 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003894400000000, 0.0000409900000000, -0.0000011400000000 ] - [ 0.0054693200000000, 0.0022323600000000, 0.0004054400000000 ] - [ 0.0041934000000000, 0.0000199400000000, -0.0001245100000000 ] - [ -0.0188050600000000, -0.0016312500000000, -0.0007967300000000 ] - [ -0.0003379900000000, 0.0009619200000000, -0.0000492000000000 ] - [ -0.0085447600000000, -0.0048520400000000, 0.0004149700000000 ] - [ 0.0004871200000000, 0.0011216800000000, -0.0001705400000000 ] - [ -0.0002797300000000, 0.0000741400000000, -0.0001137200000000 ] - [ -0.0026753100000000, 0.0005727100000000, 0.0013510100000000 ] - [ -0.0001029700000000, 0.0002192800000000, -0.0000590800000000 ] - [ -0.0028668600000000, 0.0005527500000000, -0.0013535500000000 ] - [ -0.0008918200000000, -0.0008424700000000, -0.0004163000000000 ] - [ -0.0000362700000000, 0.0002173400000000, 0.0000829500000000 ] - [ -0.0009219500000000, -0.0008214800000000, 0.0004155300000000 ] - [ 0.0089087700000000, 0.0000939100000000, 0.0001491400000000 ] - [ 0.0079648600000000, 0.0005133100000000, -0.0001645100000000 ] - [ 0.0000409900000000, 0.0003074500000000, -0.0000195500000000 ] - [ 0.0120259200000000, 0.0077609100000000, -0.0066681900000000 ] - [ -0.2228642600000000, -0.0207541700000000, -0.0213231700000000 ] - [ -0.0005425300000000, 0.0049006800000000, -0.0002860600000000 ] - [ 0.0122441500000000, -0.0045064700000000, 0.0088061100000000 ] - [ 0.0012977900000000, 0.0042375300000000, 0.0003883700000000 ] - [ -0.0003879200000000, 0.0000572200000000, -0.0001372800000000 ] - [ 0.0023897400000000, -0.0002596800000000, 0.0001004900000000 ] - [ 0.0000254200000000, 0.0011227600000000, -0.0000725200000000 ] - [ 0.0005954900000000, -0.0002404900000000, 0.0000787100000000 ] - [ -0.0000757600000000, 0.0007667500000000, -0.0000044100000000 ] - [ 0.0062810200000000, -0.0007179100000000, 0.0010698200000000 ] - [ 0.0002030200000000, 0.0001518200000000, 0.0001236900000000 ] - [ -0.0006705300000000, 0.0006082400000000, -0.0002512400000000 ] - [ 0.0067348900000000, 0.0091316600000000, -0.0048739600000000 ] - [ 0.0028310600000000, -0.0032288300000000, -0.0006132800000000 ] - [ -0.0011020100000000, 0.0002041200000000, -0.0002163500000000 ] - [ 0.0009191400000000, -0.0015576600000000, -0.0003333900000000 ] - [ -0.0091954200000000, -0.0167192800000000, -0.0080037200000000 ] - [ -0.0033812400000000, 0.0135202700000000, 0.0048507700000000 ] - [ -0.0179306100000000, 0.0123691500000000, 0.0057514900000000 ] - [ -0.0027709300000000, -0.0072624800000000, 0.0000472300000000 ] - [ -0.0038963400000000, 0.0014430700000000, -0.0006218900000000 ] - [ 0.0109077500000000, -0.0114702700000000, -0.0061900400000000 ] - [ -0.0005059600000000, 0.0005311700000000, 0.0000227600000000 ] - [ 0.0010331300000000, 0.0012909600000000, 0.0000367900000000 ] - [ 0.0137467600000000, -0.0036898600000000, 0.0068653700000000 ] - [ 0.0037157200000000, 0.0023333400000000, 0.0004495000000000 ] - [ 0.0022999400000000, -0.0057250500000000, -0.0000959800000000 ] - [ -0.2276756200000000, -0.0571581600000000, 0.0305273200000000 ] - [ -0.0016744100000000, 0.0009453400000000, 0.0000273100000000 ] - [ 0.0000559100000000, 0.0004450000000000, -0.0000580400000000 ] - [ -0.0008234200000000, -0.0000456500000000, -0.0002632500000000 ] - [ -0.0003311600000000, -0.0000823900000000, 0.0002983400000000 ] - [ -0.0004141500000000, -0.0004542700000000, -0.0000639900000000 ] - [ -0.0021921100000000, 0.0063433500000000, -0.0002083300000000 ] - [ 0.0172893700000000, 0.0043334200000000, 0.0001581200000000 ] - [ -0.0105944700000000, -0.0219387700000000, -0.0016233100000000 ] - [ -0.0001497800000000, 0.0002621400000000, 0.0000236400000000 ] - [ -0.0007221200000000, -0.0013539100000000, 0.0000344900000000 ] - [ -0.0006863300000000, 0.0025515800000000, -0.0000486000000000 ] - [ 0.0037777700000000, 0.0018351800000000, -0.0000542800000000 ] - [ 0.0000660300000000, -0.0005420300000000, -0.0000199000000000 ] - [ 0.0054602900000000, -0.0039061800000000, -0.0009385900000000 ] - [ -0.0023885000000000, 0.0057569800000000, 0.0002703600000000 ] - [ -0.0147549200000000, -0.0015437300000000, -0.0145366400000000 ] - [ -0.0061424400000000, 0.0044899500000000, -0.0007742700000000 ] - [ -0.0076499800000000, -0.0019586600000000, -0.0013107900000000 ] - [ 0.0016186300000000, 0.0015312900000000, 0.0000850300000000 ] - [ 0.0010711700000000, -0.0018226700000000, 0.0002776900000000 ] - [ 0.0004999900000000, -0.0048078600000000, -0.0000073500000000 ] - [ 0.0008760600000000, 0.0003887100000000, 0.0000501400000000 ] - [ -0.0250318600000000, 0.0164944800000000, 0.0029573400000000 ] - [ 0.5790696100000000, 0.0963948500000000, -0.0058461200000000 ] - [ 0.0002904600000000, -0.0002567600000000, 0.0000461200000000 ] - [ 0.0018258400000000, -0.0009801300000000, 0.0000514300000000 ] - [ -0.0017428100000000, -0.0053762900000000, 0.0002717000000000 ] - [ 0.0000567700000000, -0.0003579900000000, 0.0000619300000000 ] - [ -0.0000416900000000, -0.0003067800000000, 0.0000229900000000 ] - [ -0.0109398600000000, -0.0072658900000000, 0.0128609800000000 ] - [ -0.0026419300000000, -0.0009180500000000, -0.0003463000000000 ] - [ -0.0086346400000000, 0.0004782400000000, 0.0014479800000000 ] - [ -0.0028704600000000, 0.0010308700000000, -0.0001709900000000 ] - [ -0.0001008000000000, -0.0003332800000000, 0.0000501400000000 ] - [ 0.0001545700000000, -0.0007684300000000, 0.0000011800000000 ] - [ 0.0001343500000000, -0.0004910300000000, -0.0000513500000000 ] - [ 0.0004248900000000, 0.0003217700000000, -0.0002022200000000 ] - [ -0.0010186300000000, -0.0059466300000000, 0.0003650200000000 ] - [ -0.0000669200000000, -0.0007132700000000, -0.0001761500000000 ] - [ 0.0006528700000000, -0.0012373300000000, 0.0002385800000000 ] - [ -0.0341130700000000, 0.0139974900000000, -0.0069365200000000 ] - [ -0.0004321400000000, -0.0002995900000000, 0.0002928800000000 ] - [ -0.0119572500000000, -0.0007791000000000, -0.0019331800000000 ] - [ -0.0010129700000000, 0.0002114000000000, -0.0000025300000000 ] - [ -0.0018027100000000, 0.0003177900000000, 0.0001159000000000 ] - [ 0.0003556900000000, 0.0012067800000000, 0.0000681100000000 ] - [ -0.0003366300000000, -0.0002912900000000, 0.0000748000000000 ] - [ -0.0176052400000000, -0.0176789200000000, 0.0045943100000000 ] - [ -0.0121730900000000, 0.0003119900000000, 0.0013970200000000 ] - [ -0.0018817800000000, 0.0057926200000000, 0.0000151900000000 ] - [ -0.0035513400000000, 0.0012293100000000, 0.0005138300000000 ] - [ 0.0023011700000000, -0.0011468800000000, 0.0001204800000000 ] - [ 0.0000603500000000, -0.0007027800000000, -0.0000670300000000 ] - [ -0.0012057100000000, -0.0022077800000000, 0.0000041900000000 ] - [ 0.0006738100000000, 0.0024518500000000, -0.0000578200000000 ] - [ -0.0003508300000000, -0.0005685100000000, 0.0000731700000000 ] - [ 0.0004332700000000, -0.0055847600000000, -0.0005283100000000 ] - [ -0.0073557200000000, -0.0023746300000000, 0.0003783000000000 ]- atom: 70 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000021800000000, -0.0016964900000000, -0.0000673400000000 ] - [ -0.0017869100000000, 0.0018688000000000, -0.0005301600000000 ] - [ -0.0008051100000000, 0.0003943900000000, 0.0000019200000000 ] - [ 0.0020331400000000, 0.0087871000000000, -0.0072406700000000 ] - [ -0.0000965800000000, -0.0023117800000000, 0.0000624000000000 ] - [ 0.0026713000000000, -0.0086507400000000, 0.0006801900000000 ] - [ -0.0003962100000000, -0.0016848300000000, -0.0001100300000000 ] - [ 0.0000147800000000, -0.0020506600000000, -0.0001072600000000 ] - [ 0.0019012700000000, -0.0029583600000000, -0.0016359400000000 ] - [ -0.0001374600000000, -0.0013549500000000, -0.0003030200000000 ] - [ 0.0019090500000000, -0.0029222300000000, 0.0016144100000000 ] - [ 0.0006771800000000, -0.0011578900000000, 0.0005432700000000 ] - [ -0.0000728500000000, -0.0013460500000000, 0.0003080000000000 ] - [ 0.0006088200000000, -0.0012164300000000, -0.0004842200000000 ] - [ -0.0002204400000000, 0.0028987900000000, -0.0006071100000000 ] - [ -0.0002873900000000, 0.0027908500000000, 0.0005928300000000 ] - [ 0.0000989900000000, -0.0023463700000000, 0.0000155900000000 ] - [ -0.0034795300000000, 0.0045907500000000, 0.0055575100000000 ] - [ 0.0224032600000000, 0.0311063400000000, 0.0029831100000000 ] - [ -0.0011928800000000, -0.0020304300000000, 0.0005061900000000 ] - [ -0.0013507200000000, 0.0080526100000000, 0.0032921400000000 ] - [ -0.0007900700000000, -0.0024250300000000, -0.0006837900000000 ] - [ 0.0000162200000000, -0.0021375400000000, -0.0000360000000000 ] - [ -0.0009734000000000, -0.0013010500000000, -0.0000703000000000 ] - [ 0.0000406400000000, -0.0025068400000000, 0.0002065600000000 ] - [ 0.0004269600000000, -0.0021751800000000, -0.0000498300000000 ] - [ 0.0004233800000000, -0.0021476700000000, -0.0000776000000000 ] - [ -0.0017559900000000, -0.0006842700000000, -0.0003002800000000 ] - [ -0.0003134500000000, -0.0019847800000000, 0.0001721700000000 ] - [ -0.0001384400000000, -0.0022390900000000, -0.0001853400000000 ] - [ -0.0034442900000000, -0.0052379700000000, 0.0035889200000000 ] - [ 0.0000994300000000, -0.0004431000000000, 0.0001928500000000 ] - [ 0.0012923800000000, -0.0026105500000000, 0.0002364200000000 ] - [ 0.0003719200000000, -0.0013398700000000, -0.0000569000000000 ] - [ 0.0081638100000000, 0.0105583500000000, -0.0036705000000000 ] - [ -0.0045231200000000, -0.0025741500000000, -0.0017609200000000 ] - [ -0.0050079500000000, 0.0015115600000000, -0.0059403500000000 ] - [ 0.0032596100000000, 0.0004086400000000, 0.0004290600000000 ] - [ -0.0008359800000000, -0.0028365900000000, 0.0000044800000000 ] - [ 0.0017359000000000, 0.0003100900000000, -0.0002123000000000 ] - [ 0.0001606300000000, -0.0022916000000000, 0.0000541300000000 ] - [ -0.0003910700000000, -0.0020041100000000, -0.0000203000000000 ] - [ 0.0035761600000000, 0.0020617800000000, 0.0024484700000000 ] - [ -0.0016462500000000, -0.0019950700000000, -0.0003487600000000 ] - [ 0.0005041900000000, 0.0002590500000000, -0.0002806800000000 ] - [ 0.0530210400000000, 0.0438243800000000, -0.0075458800000000 ] - [ -0.0000015700000000, -0.0022697800000000, -0.0000418500000000 ] - [ -0.0004677500000000, -0.0018325300000000, -0.0000546500000000 ] - [ -0.0000900500000000, 0.0017247200000000, -0.0002054600000000 ] - [ -0.0002640100000000, 0.0020035300000000, 0.0002886000000000 ] - [ 0.0001028000000000, 0.0018440900000000, -0.0001566200000000 ] - [ -0.0016766400000000, -0.0024745300000000, 0.0002119900000000 ] - [ -0.0035097400000000, 0.0022125800000000, 0.0010396000000000 ] - [ 0.0156165200000000, 0.0098451600000000, 0.0020349800000000 ] - [ -0.0008964800000000, 0.0012364100000000, 0.0000749600000000 ] - [ -0.0000943400000000, 0.0018726600000000, -0.0000112600000000 ] - [ -0.0004116600000000, 0.0005103200000000, -0.0001537800000000 ] - [ -0.0025285000000000, 0.0016180800000000, -0.0000257300000000 ] - [ -0.0005180900000000, 0.0021321400000000, 0.0000225200000000 ] - [ 0.0025021300000000, 0.0073816000000000, 0.0002802200000000 ] - [ -0.0015349600000000, -0.0021410900000000, 0.0004840100000000 ] - [ 0.0036439000000000, -0.0113340900000000, 0.0038468900000000 ] - [ -0.0005563800000000, -0.0003501300000000, -0.0005594600000000 ] - [ -0.0018421400000000, -0.0038681400000000, -0.0005256900000000 ] - [ -0.0001368500000000, 0.0042561500000000, -0.0002082900000000 ] - [ -0.0004466600000000, 0.0016464200000000, 0.0001030700000000 ] - [ -0.0000915000000000, 0.0028220400000000, 0.0000223300000000 ] - [ -0.0000849700000000, 0.0014420400000000, 0.0000603100000000 ] - [ -0.0116892900000000, -0.0038179700000000, 0.0014664100000000 ] - [ -0.0942498900000000, -0.0808457300000000, 0.0114906100000000 ] - [ 0.0000776900000000, 0.0018628700000000, -0.0005430800000000 ] - [ -0.0019659600000000, 0.0033345000000000, 0.0000194600000000 ] - [ 0.0025103400000000, 0.0022907300000000, -0.0001883200000000 ] - [ -0.0006194500000000, 0.0016748200000000, 0.0000182200000000 ] - [ -0.0000997200000000, 0.0016869900000000, 0.0002358900000000 ] - [ 0.0059994000000000, -0.0094493700000000, -0.0023591700000000 ] - [ 0.0009033000000000, 0.0015111800000000, 0.0000384200000000 ] - [ -0.0008070400000000, -0.0016478700000000, 0.0000224900000000 ] - [ 0.0010393200000000, 0.0009021500000000, -0.0002046900000000 ] - [ 0.0003169600000000, 0.0016365600000000, -0.0000080200000000 ] - [ -0.0004599300000000, 0.0021083400000000, -0.0000583400000000 ] - [ -0.0004595300000000, 0.0013276200000000, -0.0000173200000000 ] - [ -0.0000507100000000, 0.0015322700000000, 0.0003159100000000 ] - [ 0.0019080700000000, -0.0002148100000000, 0.0008424400000000 ] - [ -0.0007229600000000, 0.0011168200000000, -0.0002795200000000 ] - [ 0.0000717700000000, 0.0024855700000000, 0.0003335800000000 ] - [ -0.0081431600000000, -0.0059309100000000, -0.0029316600000000 ] - [ 0.0003224000000000, 0.0015511800000000, 0.0003697500000000 ] - [ 0.0007539300000000, -0.0040216600000000, -0.0010883200000000 ] - [ 0.0002000000000000, 0.0009860700000000, -0.0001052600000000 ] - [ 0.0002677400000000, 0.0012543900000000, -0.0000543000000000 ] - [ 0.0000089700000000, 0.0009481300000000, -0.0001553500000000 ] - [ -0.0003884200000000, 0.0014191400000000, 0.0001101200000000 ] - [ 0.0137957800000000, 0.0013545100000000, -0.0041198500000000 ] - [ 0.0033924500000000, -0.0027115500000000, -0.0011815400000000 ] - [ -0.0005371800000000, -0.0003432900000000, 0.0002405200000000 ] - [ 0.0000941800000000, 0.0003004900000000, -0.0002323700000000 ] - [ 0.0005236500000000, 0.0025184200000000, 0.0000546600000000 ] - [ -0.0002197600000000, 0.0019943400000000, -0.0000104100000000 ] - [ 0.0013244100000000, 0.0016469600000000, -0.0001718100000000 ] - [ -0.0007716500000000, 0.0008379700000000, 0.0002581600000000 ] - [ -0.0000500000000000, 0.0010686200000000, 0.0000919400000000 ] - [ 0.0016331400000000, 0.0014206600000000, 0.0005280300000000 ] - [ 0.0036119800000000, 0.0011723700000000, -0.0004191200000000 ]- atom: 70 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000025900000000, 0.0015711100000000, 0.0000478100000000 ] - [ 0.0017963900000000, -0.0020103900000000, 0.0005147700000000 ] - [ 0.0009642700000000, -0.0002386400000000, -0.0002524100000000 ] - [ -0.0019093800000000, -0.0087471700000000, 0.0067487800000000 ] - [ 0.0000962300000000, 0.0024415900000000, -0.0000820700000000 ] - [ -0.0026653800000000, 0.0086859100000000, -0.0007021400000000 ] - [ 0.0002402100000000, 0.0018327900000000, -0.0001412300000000 ] - [ -0.0001747400000000, 0.0019076900000000, -0.0001429400000000 ] - [ -0.0014740700000000, 0.0030471000000000, 0.0014609600000000 ] - [ -0.0002832900000000, 0.0012622300000000, 0.0001362300000000 ] - [ -0.0016105800000000, 0.0030078700000000, -0.0014018400000000 ] - [ -0.0009786800000000, 0.0012498800000000, -0.0003430000000000 ] - [ -0.0002196600000000, 0.0012567000000000, -0.0001029400000000 ] - [ -0.0010385900000000, 0.0013125100000000, 0.0003220900000000 ] - [ 0.0005144000000000, -0.0029938500000000, 0.0008158100000000 ] - [ 0.0007113400000000, -0.0028878800000000, -0.0007632000000000 ] - [ 0.0001073000000000, 0.0017979000000000, -0.0000654700000000 ] - [ 0.0033502100000000, -0.0041090400000000, -0.0054880300000000 ] - [ -0.0229007200000000, -0.0313892800000000, -0.0029458900000000 ] - [ 0.0017818400000000, 0.0017842300000000, -0.0007100200000000 ] - [ 0.0019439000000000, -0.0078000900000000, -0.0035202600000000 ] - [ 0.0010031900000000, 0.0029792000000000, 0.0006382700000000 ] - [ -0.0002526000000000, 0.0021582300000000, -0.0000439200000000 ] - [ 0.0007702100000000, 0.0012478500000000, 0.0001744200000000 ] - [ 0.0001035900000000, 0.0029602700000000, -0.0001336600000000 ] - [ -0.0002879800000000, 0.0017274800000000, 0.0001243400000000 ] - [ 0.0001519000000000, 0.0020395100000000, -0.0000341800000000 ] - [ 0.0013754100000000, 0.0004728700000000, -0.0000745500000000 ] - [ -0.0000734400000000, 0.0017739600000000, 0.0001306200000000 ] - [ -0.0002536800000000, 0.0024470600000000, -0.0001937000000000 ] - [ 0.0040322200000000, 0.0053575800000000, -0.0037172400000000 ] - [ 0.0001090100000000, 0.0004004000000000, -0.0000873100000000 ] - [ -0.0010506600000000, 0.0025941400000000, -0.0003160600000000 ] - [ 0.0000219800000000, 0.0011393000000000, -0.0003218000000000 ] - [ -0.0078074600000000, -0.0104132700000000, 0.0032747800000000 ] - [ 0.0048782400000000, 0.0028215600000000, 0.0020753700000000 ] - [ 0.0044459200000000, -0.0016491500000000, 0.0058581900000000 ] - [ -0.0033912800000000, -0.0008452200000000, -0.0003570100000000 ] - [ 0.0002491200000000, 0.0025865000000000, -0.0002082000000000 ] - [ -0.0013548100000000, -0.0004895500000000, 0.0005331300000000 ] - [ -0.0003688900000000, 0.0023459400000000, 0.0000499200000000 ] - [ -0.0001874400000000, 0.0021202000000000, -0.0000918000000000 ] - [ -0.0033166900000000, -0.0020643900000000, -0.0025090900000000 ] - [ 0.0014373300000000, 0.0025520500000000, 0.0002991700000000 ] - [ -0.0007443500000000, -0.0002958000000000, 0.0001993300000000 ] - [ -0.0536601900000000, -0.0438541500000000, 0.0075820600000000 ] - [ -0.0003854300000000, 0.0024861600000000, 0.0003452400000000 ] - [ -0.0001294700000000, 0.0020910200000000, -0.0001493500000000 ] - [ -0.0004092800000000, -0.0014940700000000, -0.0000436500000000 ] - [ -0.0000223600000000, -0.0018030400000000, 0.0001894800000000 ] - [ -0.0007040400000000, -0.0017050700000000, -0.0000086200000000 ] - [ 0.0019577000000000, 0.0026656200000000, 0.0002665200000000 ] - [ 0.0040611400000000, -0.0023260500000000, -0.0011596600000000 ] - [ -0.0159327000000000, -0.0098074000000000, -0.0021573900000000 ] - [ 0.0008293600000000, -0.0014877600000000, -0.0000021800000000 ] - [ -0.0000193100000000, -0.0020469100000000, -0.0000383800000000 ] - [ 0.0008258200000000, -0.0005681200000000, 0.0001523600000000 ] - [ 0.0025932500000000, -0.0018687800000000, 0.0000983200000000 ] - [ 0.0001027500000000, -0.0020833100000000, -0.0000234200000000 ] - [ -0.0022776400000000, -0.0073835000000000, -0.0001098900000000 ] - [ 0.0016537700000000, 0.0020874900000000, -0.0006835500000000 ] - [ -0.0032499500000000, 0.0113407900000000, -0.0038507000000000 ] - [ 0.0004296500000000, 0.0004383700000000, 0.0003586800000000 ] - [ 0.0018817200000000, 0.0036200900000000, 0.0005955700000000 ] - [ -0.0000696200000000, -0.0035737300000000, 0.0003786700000000 ] - [ 0.0000732800000000, -0.0017251200000000, 0.0005319300000000 ] - [ -0.0005138400000000, -0.0029707000000000, -0.0001889500000000 ] - [ -0.0001059600000000, -0.0014983400000000, 0.0001089100000000 ] - [ 0.0122690500000000, 0.0038357500000000, -0.0013457400000000 ] - [ 0.0962288900000000, 0.0799403300000000, -0.0115727400000000 ] - [ -0.0001948500000000, -0.0019373700000000, 0.0003419000000000 ] - [ 0.0020040400000000, -0.0030761100000000, 0.0000518500000000 ] - [ -0.0021348500000000, -0.0023774700000000, 0.0008174900000000 ] - [ 0.0005766000000000, -0.0019332500000000, 0.0000529400000000 ] - [ -0.0004724100000000, -0.0017077700000000, -0.0001103100000000 ] - [ -0.0054190900000000, 0.0096430100000000, 0.0022156000000000 ] - [ -0.0016573100000000, -0.0007837300000000, -0.0004137100000000 ] - [ 0.0010040900000000, 0.0016969000000000, 0.0001425000000000 ] - [ -0.0002901700000000, -0.0001793000000000, -0.0001698100000000 ] - [ -0.0003919900000000, -0.0013893000000000, 0.0000814600000000 ] - [ -0.0000391500000000, -0.0023429000000000, -0.0001912300000000 ] - [ -0.0000500300000000, -0.0014319000000000, -0.0000820900000000 ] - [ 0.0001642000000000, -0.0014620900000000, -0.0005168000000000 ] - [ -0.0016151100000000, -0.0000059100000000, -0.0003616000000000 ] - [ -0.0000236100000000, -0.0018469800000000, -0.0000944100000000 ] - [ -0.0003618500000000, -0.0026941500000000, 0.0001428900000000 ] - [ 0.0085423900000000, 0.0059976800000000, 0.0035743800000000 ] - [ -0.0006931400000000, -0.0014751400000000, 0.0002632300000000 ] - [ -0.0005472700000000, 0.0033132200000000, 0.0012600200000000 ] - [ 0.0003113500000000, -0.0008855400000000, 0.0000059200000000 ] - [ -0.0006857600000000, -0.0013035400000000, 0.0000534300000000 ] - [ 0.0005599000000000, -0.0009341000000000, 0.0002813500000000 ] - [ 0.0001948900000000, -0.0013657400000000, 0.0000586000000000 ] - [ -0.0131958800000000, -0.0015719000000000, 0.0038356600000000 ] - [ -0.0033272700000000, 0.0029554400000000, 0.0012536600000000 ] - [ 0.0010356300000000, 0.0005622200000000, -0.0004886200000000 ] - [ -0.0006705500000000, -0.0002767900000000, 0.0003591000000000 ] - [ -0.0003158800000000, -0.0018010600000000, 0.0001128900000000 ] - [ 0.0003359900000000, -0.0018284500000000, -0.0000396500000000 ] - [ -0.0007226400000000, -0.0017936400000000, 0.0000058600000000 ] - [ 0.0007368800000000, -0.0005754400000000, -0.0001886200000000 ] - [ -0.0001539400000000, -0.0017885100000000, 0.0000741800000000 ] - [ -0.0015215000000000, -0.0015851800000000, -0.0005804600000000 ] - [ -0.0041455600000000, -0.0010726500000000, 0.0003249000000000 ]- atom: 70 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000120300000000, 0.0000229100000000, -0.0000052300000000 ] - [ 0.0008619000000000, 0.0009647300000000, -0.0001813700000000 ] - [ 0.0000447000000000, -0.0003676800000000, -0.0001762800000000 ] - [ 0.0012571700000000, -0.0082040000000000, -0.0005276300000000 ] - [ 0.0000427000000000, 0.0002346900000000, -0.0000194500000000 ] - [ -0.0004138600000000, 0.0010194100000000, 0.0020753700000000 ] - [ -0.0000790700000000, 0.0002023600000000, -0.0001022800000000 ] - [ -0.0000761600000000, 0.0000410600000000, -0.0001252400000000 ] - [ 0.0004722400000000, 0.0003732400000000, -0.0004313100000000 ] - [ -0.0002236000000000, 0.0000407600000000, -0.0000735000000000 ] - [ 0.0004483000000000, 0.0004405000000000, 0.0004365200000000 ] - [ -0.0001389200000000, 0.0000820200000000, 0.0000988900000000 ] - [ -0.0001604000000000, 0.0000428700000000, 0.0000930900000000 ] - [ -0.0002184100000000, 0.0000974200000000, -0.0000805800000000 ] - [ 0.0000519700000000, -0.0000807300000000, -0.0011180400000000 ] - [ 0.0000220100000000, -0.0002415500000000, 0.0011695700000000 ] - [ 0.0001184700000000, -0.0001566600000000, -0.0000378600000000 ] - [ -0.0004392600000000, -0.0061276000000000, -0.0044991600000000 ] - [ 0.0187055200000000, 0.0015068200000000, 0.0245249400000000 ] - [ 0.0005865000000000, -0.0003311800000000, -0.0006029000000000 ] - [ 0.0017226500000000, -0.0061677700000000, -0.0040873800000000 ] - [ 0.0001662600000000, 0.0007679300000000, -0.0004582800000000 ] - [ -0.0001394500000000, 0.0001655200000000, -0.0000487000000000 ] - [ 0.0000489300000000, 0.0001212600000000, -0.0000260300000000 ] - [ 0.0000567900000000, 0.0003813000000000, 0.0000577300000000 ] - [ 0.0000566100000000, -0.0001004800000000, 0.0000826700000000 ] - [ 0.0002990900000000, 0.0000673400000000, -0.0000381500000000 ] - [ -0.0000566800000000, -0.0000471500000000, 0.0000125600000000 ] - [ -0.0001806800000000, 0.0000253800000000, 0.0001328300000000 ] - [ -0.0001834300000000, 0.0002635800000000, -0.0001844900000000 ] - [ 0.0004168100000000, -0.0001394700000000, 0.0014163900000000 ] - [ 0.0000060300000000, -0.0000399400000000, 0.0001106300000000 ] - [ -0.0000308300000000, 0.0002214500000000, -0.0000423500000000 ] - [ 0.0000881400000000, -0.0000393000000000, -0.0002398400000000 ] - [ 0.0026282100000000, 0.0035523000000000, -0.0057904700000000 ] - [ -0.0002809400000000, 0.0009895400000000, 0.0019096100000000 ] - [ -0.0045346700000000, 0.0018520800000000, -0.0048757100000000 ] - [ -0.0012252800000000, -0.0007573700000000, -0.0004683300000000 ] - [ -0.0002880100000000, 0.0000088100000000, 0.0000598700000000 ] - [ -0.0000763300000000, 0.0009285200000000, 0.0016844800000000 ] - [ -0.0001124400000000, 0.0001787300000000, 0.0000416900000000 ] - [ -0.0002874100000000, 0.0001201100000000, -0.0001140000000000 ] - [ 0.0008438200000000, 0.0001730700000000, 0.0021408100000000 ] - [ 0.0001094000000000, 0.0004093100000000, 0.0001437000000000 ] - [ -0.0001722900000000, 0.0001953000000000, -0.0006167600000000 ] - [ -0.0235740900000000, -0.0070619600000000, 0.0252807500000000 ] - [ -0.0002607100000000, 0.0002783000000000, 0.0000877900000000 ] - [ -0.0002862100000000, 0.0002514300000000, -0.0000976300000000 ] - [ -0.0002862400000000, -0.0000276000000000, -0.0001270200000000 ] - [ -0.0001388900000000, -0.0000105600000000, 0.0002361200000000 ] - [ -0.0003308000000000, -0.0000416600000000, -0.0000779400000000 ] - [ 0.0003256200000000, 0.0013795500000000, 0.0005543900000000 ] - [ -0.0000460400000000, 0.0016956700000000, 0.0114337200000000 ] - [ 0.0040742700000000, 0.0040736500000000, -0.0026570700000000 ] - [ -0.0000200200000000, -0.0002032700000000, 0.0000334400000000 ] - [ -0.0000871000000000, -0.0002346300000000, -0.0000287000000000 ] - [ 0.0004195800000000, 0.0001099200000000, 0.0000855800000000 ] - [ 0.0008408800000000, -0.0012028600000000, -0.0001884200000000 ] - [ -0.0001928800000000, -0.0001008400000000, -0.0000020200000000 ] - [ -0.0002105300000000, 0.0000721600000000, -0.0002488600000000 ] - [ 0.0003980100000000, -0.0012270600000000, -0.0003739900000000 ] - [ 0.0164076100000000, 0.0041479200000000, 0.0132379900000000 ] - [ -0.0006736000000000, 0.0004666500000000, -0.0002453000000000 ] - [ -0.0003660300000000, -0.0003515100000000, -0.0003637400000000 ] - [ -0.0000698700000000, 0.0002736000000000, 0.0001479500000000 ] - [ -0.0000662000000000, -0.0003394200000000, 0.0003341400000000 ] - [ -0.0003533400000000, 0.0001718100000000, -0.0001773700000000 ] - [ -0.0001013700000000, -0.0001128000000000, 0.0000966500000000 ] - [ -0.0073691900000000, 0.0030784000000000, -0.0030049000000000 ] - [ 0.0039211000000000, 0.0109570400000000, -0.0658052700000000 ] - [ -0.0000623500000000, -0.0001787800000000, -0.0000694900000000 ] - [ 0.0000192300000000, -0.0000918800000000, 0.0000164900000000 ] - [ -0.0000916400000000, -0.0005929300000000, 0.0003340500000000 ] - [ 0.0000333800000000, -0.0002523700000000, 0.0000372800000000 ] - [ -0.0003006500000000, -0.0001290000000000, 0.0000513900000000 ] - [ -0.0137698800000000, -0.0033729000000000, 0.0118914200000000 ] - [ -0.0005334500000000, 0.0001395800000000, -0.0001441000000000 ] - [ 0.0011196900000000, 0.0001556600000000, -0.0001752200000000 ] - [ 0.0003591000000000, 0.0003814800000000, -0.0001573500000000 ] - [ -0.0000438800000000, 0.0000297200000000, 0.0000336700000000 ] - [ -0.0002217700000000, -0.0002809300000000, -0.0001261200000000 ] - [ -0.0002669700000000, -0.0001388600000000, -0.0000549500000000 ] - [ 0.0001068700000000, -0.0000552800000000, -0.0001190300000000 ] - [ 0.0000111200000000, 0.0010374900000000, 0.0001265500000000 ] - [ -0.0003643000000000, -0.0004548600000000, -0.0001788400000000 ] - [ -0.0001521100000000, -0.0001890700000000, 0.0002363200000000 ] - [ 0.0073137800000000, -0.0019157500000000, -0.0020455600000000 ] - [ -0.0002227100000000, -0.0000581800000000, 0.0003131500000000 ] - [ -0.0015768800000000, 0.0006042500000000, 0.0009775200000000 ] - [ 0.0002894600000000, 0.0000217800000000, -0.0000346400000000 ] - [ -0.0002805900000000, -0.0000106700000000, 0.0000178700000000 ] - [ 0.0003680100000000, -0.0000680000000000, 0.0000568600000000 ] - [ -0.0000790100000000, -0.0000761900000000, 0.0000859000000000 ] - [ -0.0051400600000000, -0.0031262600000000, -0.0011248200000000 ] - [ 0.0014335400000000, 0.0016921100000000, 0.0011267000000000 ] - [ 0.0005429100000000, 0.0001152900000000, -0.0002128600000000 ] - [ -0.0002577300000000, -0.0001834900000000, 0.0000277600000000 ] - [ -0.0001797900000000, 0.0002270300000000, 0.0001396200000000 ] - [ 0.0000605700000000, 0.0000013900000000, -0.0000258000000000 ] - [ 0.0002382800000000, 0.0000134300000000, -0.0000541200000000 ] - [ -0.0001080500000000, -0.0000003200000000, 0.0001258900000000 ] - [ -0.0001032000000000, -0.0004468400000000, 0.0000818900000000 ] - [ 0.0001389400000000, -0.0015898600000000, -0.0002902600000000 ] - [ 0.0000420800000000, 0.0000618600000000, -0.0002174400000000 ]- atom: 70 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000126000000000, -0.0001569000000000, -0.0000152700000000 ] - [ -0.0008628000000000, -0.0010903800000000, 0.0001582500000000 ] - [ 0.0001160000000000, 0.0005200100000000, -0.0000757000000000 ] - [ -0.0011313300000000, 0.0083964900000000, -0.0001666900000000 ] - [ -0.0000441400000000, -0.0001120400000000, -0.0000004300000000 ] - [ 0.0004171200000000, -0.0009404200000000, -0.0020884300000000 ] - [ -0.0000802500000000, -0.0000609000000000, -0.0001496300000000 ] - [ -0.0000828400000000, -0.0001931400000000, -0.0001259100000000 ] - [ -0.0000587900000000, -0.0002953400000000, 0.0002744200000000 ] - [ -0.0001973700000000, -0.0001392800000000, -0.0000938300000000 ] - [ -0.0001631100000000, -0.0003614300000000, -0.0002411000000000 ] - [ -0.0001533400000000, 0.0000074000000000, 0.0001083300000000 ] - [ -0.0001323100000000, -0.0001381900000000, 0.0001125300000000 ] - [ -0.0002018700000000, -0.0000055700000000, -0.0000880400000000 ] - [ 0.0002437000000000, -0.0000037600000000, 0.0013224800000000 ] - [ 0.0004011200000000, 0.0001538800000000, -0.0013350500000000 ] - [ 0.0000906700000000, -0.0004003300000000, -0.0000116000000000 ] - [ 0.0002879300000000, 0.0065858100000000, 0.0045476400000000 ] - [ -0.0192407900000000, -0.0014689500000000, -0.0248107700000000 ] - [ 0.0000010100000000, 0.0000768800000000, 0.0003975300000000 ] - [ -0.0011088400000000, 0.0064379100000000, 0.0038522000000000 ] - [ 0.0000440800000000, -0.0002214700000000, 0.0004051200000000 ] - [ -0.0000964800000000, -0.0001547800000000, -0.0000315800000000 ] - [ -0.0002595700000000, -0.0001772000000000, 0.0001296300000000 ] - [ 0.0000874400000000, 0.0000593800000000, 0.0000167700000000 ] - [ 0.0000871600000000, -0.0003534900000000, -0.0000086800000000 ] - [ 0.0002788700000000, -0.0001836400000000, -0.0000736100000000 ] - [ -0.0003368000000000, -0.0001633800000000, -0.0003898900000000 ] - [ -0.0002078900000000, -0.0002424700000000, 0.0001698100000000 ] - [ -0.0002101600000000, -0.0000644800000000, -0.0001945200000000 ] - [ 0.0001476400000000, 0.0002292400000000, -0.0015084700000000 ] - [ 0.0002077700000000, -0.0000108700000000, -0.0000033700000000 ] - [ 0.0002727600000000, -0.0002488100000000, -0.0000366700000000 ] - [ 0.0003086600000000, -0.0001722100000000, -0.0001390000000000 ] - [ -0.0023016000000000, -0.0033114100000000, 0.0053879000000000 ] - [ 0.0006469200000000, -0.0007529000000000, -0.0015932100000000 ] - [ 0.0040008500000000, -0.0019181800000000, 0.0047426300000000 ] - [ 0.0011139500000000, 0.0003164800000000, 0.0005401700000000 ] - [ -0.0003108700000000, -0.0002721200000000, -0.0002625800000000 ] - [ 0.0004602200000000, -0.0011139200000000, -0.0013613600000000 ] - [ -0.0000964900000000, -0.0001340800000000, 0.0000622800000000 ] - [ -0.0002904800000000, -0.0000119100000000, 0.0000017700000000 ] - [ -0.0005793700000000, -0.0001604400000000, -0.0021947000000000 ] - [ -0.0003189400000000, 0.0001408800000000, -0.0001922400000000 ] - [ -0.0000647000000000, -0.0002202700000000, 0.0005340100000000 ] - [ 0.0239364500000000, 0.0067019800000000, -0.0257835700000000 ] - [ -0.0001270200000000, -0.0000723100000000, 0.0002139100000000 ] - [ -0.0003118600000000, -0.0000002300000000, -0.0001061400000000 ] - [ -0.0002142700000000, 0.0002634300000000, -0.0001228900000000 ] - [ -0.0001487900000000, 0.0002181300000000, 0.0002424000000000 ] - [ -0.0002685800000000, 0.0001878700000000, -0.0000872300000000 ] - [ -0.0000583700000000, -0.0011884800000000, -0.0000809000000000 ] - [ 0.0005792700000000, -0.0019240200000000, -0.0115521700000000 ] - [ -0.0041594500000000, -0.0038960300000000, 0.0026295800000000 ] - [ -0.0000511500000000, -0.0000436100000000, 0.0000398100000000 ] - [ -0.0000289300000000, 0.0000681700000000, -0.0000205700000000 ] - [ -0.0000097200000000, -0.0001603800000000, -0.0000888600000000 ] - [ -0.0007962000000000, 0.0009907500000000, 0.0002671000000000 ] - [ -0.0002252300000000, 0.0001598600000000, 0.0000015900000000 ] - [ 0.0004261700000000, -0.0001250300000000, 0.0004059300000000 ] - [ -0.0002807400000000, 0.0011570600000000, 0.0001757100000000 ] - [ -0.0158089100000000, -0.0040875600000000, -0.0131885500000000 ] - [ 0.0005510500000000, -0.0003904700000000, 0.0000426500000000 ] - [ 0.0003953800000000, 0.0000872700000000, 0.0004309400000000 ] - [ -0.0001352500000000, 0.0004542100000000, 0.0000161100000000 ] - [ -0.0003058700000000, 0.0002648000000000, 0.0002982500000000 ] - [ -0.0002474500000000, -0.0003054300000000, 0.0000130900000000 ] - [ -0.0000966500000000, 0.0000612300000000, 0.0000716900000000 ] - [ 0.0079109500000000, -0.0031088300000000, 0.0031733100000000 ] - [ -0.0030106700000000, -0.0121061300000000, 0.0665597300000000 ] - [ -0.0000540500000000, 0.0001135200000000, -0.0001329400000000 ] - [ 0.0000167000000000, 0.0003578000000000, 0.0000544300000000 ] - [ 0.0004667700000000, 0.0005101100000000, 0.0002982500000000 ] - [ -0.0000722100000000, 0.0000007100000000, 0.0000334900000000 ] - [ -0.0002712300000000, 0.0001150800000000, 0.0000746700000000 ] - [ 0.0142110200000000, 0.0034539200000000, -0.0120183300000000 ] - [ -0.0002144700000000, 0.0005910400000000, -0.0002287900000000 ] - [ -0.0009255100000000, -0.0001095300000000, 0.0003404500000000 ] - [ 0.0003881300000000, 0.0003459500000000, -0.0002170700000000 ] - [ -0.0000251300000000, 0.0002251000000000, 0.0000394200000000 ] - [ -0.0002796100000000, 0.0000557900000000, -0.0001232800000000 ] - [ -0.0002437800000000, 0.0000435000000000, -0.0000446400000000 ] - [ 0.0000090800000000, 0.0001319200000000, -0.0000812300000000 ] - [ 0.0002860800000000, -0.0012457600000000, 0.0003538500000000 ] - [ -0.0003853200000000, -0.0002691900000000, -0.0001949500000000 ] - [ -0.0001350200000000, -0.0000059000000000, 0.0002422400000000 ] - [ -0.0069356500000000, 0.0019917300000000, 0.0027124000000000 ] - [ -0.0001467300000000, 0.0001407800000000, 0.0003197700000000 ] - [ 0.0017785300000000, -0.0013252500000000, -0.0008037100000000 ] - [ 0.0002197600000000, 0.0000803300000000, -0.0000650600000000 ] - [ -0.0001363100000000, -0.0000372100000000, -0.0000181700000000 ] - [ 0.0002018800000000, 0.0000893100000000, 0.0000688600000000 ] - [ -0.0001204300000000, 0.0001359000000000, 0.0000826900000000 ] - [ 0.0056616000000000, 0.0028953900000000, 0.0008900100000000 ] - [ -0.0013570300000000, -0.0014456700000000, -0.0010459400000000 ] - [ -0.0000470000000000, 0.0001072500000000, -0.0000324800000000 ] - [ -0.0003148700000000, 0.0002050600000000, 0.0000964600000000 ] - [ 0.0003969400000000, 0.0004957500000000, 0.0000252600000000 ] - [ 0.0000542600000000, 0.0001718400000000, -0.0000241900000000 ] - [ 0.0003646000000000, -0.0001532800000000, -0.0001113800000000 ] - [ 0.0000741700000000, 0.0002594400000000, -0.0000545300000000 ] - [ -0.0001031900000000, -0.0002654900000000, 0.0000838800000000 ] - [ -0.0000244600000000, 0.0014227800000000, 0.0002420900000000 ] - [ -0.0005470200000000, 0.0000413500000000, 0.0001164600000000 ]