# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/e8c48e01-ff26-454e-ba7c-86fa57da379a/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 Ba5Nb2O10 / Cmc2_1 (36) / materials id 758845](https://mdr.nims.go.jp/datasets/d127eb33-260e-4ce8-86a8-bc7533783399) ## 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: "Cmc2_1" number: 36 Hall_symbol: "C 2c -2"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 3.011020740000000, -5.320575670000000, 0.000000000000000 ] # a - [ 3.011020740000000, 5.320575670000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 18.206276460000002 ] # c points: - symbol: Ba # 1 coordinates: [ 0.821476560000000, 0.178523440000000, 0.752658190000000 ] mass: 137.327000 - symbol: Ba # 2 coordinates: [ 0.812634570000000, 0.187365430000000, 0.978691910000000 ] mass: 137.327000 - symbol: Ba # 3 coordinates: [ 0.495523260000000, 0.504476740000000, 0.866035180000000 ] mass: 137.327000 - symbol: Ba # 4 coordinates: [ 0.495403740000000, 0.504596260000000, 0.636196360000000 ] mass: 137.327000 - symbol: Ba # 5 coordinates: [ 0.504476740000000, 0.495523260000000, 0.366035180000000 ] mass: 137.327000 - symbol: Ba # 6 coordinates: [ 0.504596260000000, 0.495403740000000, 0.136196360000000 ] mass: 137.327000 - symbol: Ba # 7 coordinates: [ 0.847995980000000, 0.152004020000000, 0.523680110000000 ] mass: 137.327000 - symbol: Ba # 8 coordinates: [ 0.187365430000000, 0.812634570000000, 0.478691910000000 ] mass: 137.327000 - symbol: Ba # 9 coordinates: [ 0.178523440000000, 0.821476560000000, 0.252658190000000 ] mass: 137.327000 - symbol: Ba # 10 coordinates: [ 0.152004020000000, 0.847995980000000, 0.023680110000000 ] mass: 137.327000 - symbol: Nb # 11 coordinates: [ 0.834807900000000, 0.165192100000000, 0.330435110000000 ] mass: 92.906380 - symbol: Nb # 12 coordinates: [ 0.842087820000000, 0.157912180000000, 0.168971250000000 ] mass: 92.906380 - symbol: Nb # 13 coordinates: [ 0.165192100000000, 0.834807900000000, 0.830435110000000 ] mass: 92.906380 - symbol: Nb # 14 coordinates: [ 0.157912180000000, 0.842087820000000, 0.668971250000000 ] mass: 92.906380 - symbol: O # 15 coordinates: [ 0.573764900000000, 0.426235100000000, 0.000097980000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.962872330000000, 0.497179990000000, 0.374937620000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.031728430000000, 0.453182710000000, 0.108846240000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.692327580000000, 0.307672420000000, 0.237409950000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.132227320000000, 0.320127800000000, 0.255472350000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.502820010000000, 0.037127670000000, 0.374937620000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.546817290000000, 0.968271570000000, 0.108846240000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.679872200000000, 0.867772680000000, 0.255472350000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.975498590000000, 0.024501410000000, 0.394189740000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.017115250000000, 0.982884750000000, 0.135406640000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.982884750000000, 0.017115250000000, 0.635406640000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.024501410000000, 0.975498590000000, 0.894189740000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.320127800000000, 0.132227320000000, 0.755472350000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.497179990000000, 0.962872330000000, 0.874937620000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.867772680000000, 0.679872200000000, 0.755472350000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.453182710000000, 0.031728430000000, 0.608846240000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.307672420000000, 0.692327580000000, 0.737409950000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.037127670000000, 0.502820010000000, 0.874937620000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.968271570000000, 0.546817290000000, 0.608846240000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.426235100000000, 0.573764900000000, 0.500097980000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.166056644299302, -0.093974793520792, 0.000000000000000 ] # a* - [ 0.166056644299302, 0.093974793520792, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.054926113101547 ] # c*unit_cell: lattice: - [ 6.022041480000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.641151340000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 18.206276460000002 ] # c points: - symbol: Ba # 1 coordinates: [ 0.000000000000000, 0.178523440000000, 0.752658190000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 2 coordinates: [ 0.000000000000000, 0.187365430000000, 0.978691910000000 ] mass: 137.327000 reduced_to: 2 - symbol: Ba # 3 coordinates: [ 0.500000000000000, 0.004476740000000, 0.866035180000000 ] mass: 137.327000 reduced_to: 3 - symbol: Ba # 4 coordinates: [ 0.000000000000000, 0.504596260000000, 0.636196360000000 ] mass: 137.327000 reduced_to: 4 - symbol: Ba # 5 coordinates: [ 0.000000000000000, 0.495523260000000, 0.366035180000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 6 coordinates: [ 0.500000000000000, 0.995403740000000, 0.136196360000000 ] mass: 137.327000 reduced_to: 6 - symbol: Ba # 7 coordinates: [ 0.000000000000000, 0.152004020000000, 0.523680110000000 ] mass: 137.327000 reduced_to: 7 - symbol: Ba # 8 coordinates: [ 0.500000000000000, 0.312634570000000, 0.478691910000000 ] mass: 137.327000 reduced_to: 8 - symbol: Ba # 9 coordinates: [ 0.500000000000000, 0.321476560000000, 0.252658190000000 ] mass: 137.327000 reduced_to: 9 - symbol: Ba # 10 coordinates: [ 0.500000000000000, 0.347995980000000, 0.023680110000000 ] mass: 137.327000 reduced_to: 10 - symbol: Ba # 11 coordinates: [ 0.500000000000000, 0.678523440000000, 0.752658190000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 12 coordinates: [ 0.500000000000000, 0.687365430000000, 0.978691910000000 ] mass: 137.327000 reduced_to: 2 - symbol: Ba # 13 coordinates: [ 0.000000000000000, 0.504476740000000, 0.866035180000000 ] mass: 137.327000 reduced_to: 3 - symbol: Ba # 14 coordinates: [ 0.500000000000000, 0.004596260000000, 0.636196360000000 ] mass: 137.327000 reduced_to: 4 - symbol: Ba # 15 coordinates: [ 0.500000000000000, 0.995523260000000, 0.366035180000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 16 coordinates: [ 0.000000000000000, 0.495403740000000, 0.136196360000000 ] mass: 137.327000 reduced_to: 6 - symbol: Ba # 17 coordinates: [ 0.500000000000000, 0.652004020000000, 0.523680110000000 ] mass: 137.327000 reduced_to: 7 - symbol: Ba # 18 coordinates: [ 0.000000000000000, 0.812634570000000, 0.478691910000000 ] mass: 137.327000 reduced_to: 8 - symbol: Ba # 19 coordinates: [ 0.000000000000000, 0.821476560000000, 0.252658190000000 ] mass: 137.327000 reduced_to: 9 - symbol: Ba # 20 coordinates: [ 0.000000000000000, 0.847995980000000, 0.023680110000000 ] mass: 137.327000 reduced_to: 10 - symbol: Nb # 21 coordinates: [ 0.000000000000000, 0.165192100000000, 0.330435110000000 ] mass: 92.906380 reduced_to: 21 - symbol: Nb # 22 coordinates: [ 0.000000000000000, 0.157912180000000, 0.168971250000000 ] mass: 92.906380 reduced_to: 22 - symbol: Nb # 23 coordinates: [ 0.500000000000000, 0.334807900000000, 0.830435110000000 ] mass: 92.906380 reduced_to: 23 - symbol: Nb # 24 coordinates: [ 0.500000000000000, 0.342087820000000, 0.668971250000000 ] mass: 92.906380 reduced_to: 24 - symbol: Nb # 25 coordinates: [ 0.500000000000000, 0.665192100000000, 0.330435110000000 ] mass: 92.906380 reduced_to: 21 - symbol: Nb # 26 coordinates: [ 0.500000000000000, 0.657912180000000, 0.168971250000000 ] mass: 92.906380 reduced_to: 22 - symbol: Nb # 27 coordinates: [ 0.000000000000000, 0.834807900000000, 0.830435110000000 ] mass: 92.906380 reduced_to: 23 - symbol: Nb # 28 coordinates: [ 0.000000000000000, 0.842087820000000, 0.668971250000000 ] mass: 92.906380 reduced_to: 24 - symbol: O # 29 coordinates: [ 0.000000000000000, 0.426235100000000, 0.000097980000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.230026160000000, 0.267153830000000, 0.374937620000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.242455570000000, 0.210727140000000, 0.108846240000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.000000000000000, 0.307672420000000, 0.237409950000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.226177560000000, 0.093950240000000, 0.255472350000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.769973840000000, 0.267153830000000, 0.374937620000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.757544430000000, 0.210727140000000, 0.108846240000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.773822440000000, 0.093950240000000, 0.255472350000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.000000000000000, 0.024501410000000, 0.394189740000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.000000000000000, 0.982884750000000, 0.135406640000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.500000000000000, 0.517115250000000, 0.635406640000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.500000000000000, 0.475498590000000, 0.894189740000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.726177560000000, 0.406049760000000, 0.755472350000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.730026160000000, 0.232846170000000, 0.874937620000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.273822440000000, 0.406049760000000, 0.755472350000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.742455570000000, 0.289272860000000, 0.608846240000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.500000000000000, 0.192327580000000, 0.737409950000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.269973840000000, 0.232846170000000, 0.874937620000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.257544430000000, 0.289272860000000, 0.608846240000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.500000000000000, 0.073764900000000, 0.500097980000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.500000000000000, 0.926235100000000, 0.000097980000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 50 coordinates: [ 0.730026160000000, 0.767153830000000, 0.374937620000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 51 coordinates: [ 0.742455570000000, 0.710727140000000, 0.108846240000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 52 coordinates: [ 0.500000000000000, 0.807672420000000, 0.237409950000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 53 coordinates: [ 0.726177560000000, 0.593950240000000, 0.255472350000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 54 coordinates: [ 0.269973840000000, 0.767153830000000, 0.374937620000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 55 coordinates: [ 0.257544430000000, 0.710727140000000, 0.108846240000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 56 coordinates: [ 0.273822440000000, 0.593950240000000, 0.255472350000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 57 coordinates: [ 0.500000000000000, 0.524501410000000, 0.394189740000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 58 coordinates: [ 0.500000000000000, 0.482884750000000, 0.135406640000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 59 coordinates: [ 0.000000000000000, 0.017115250000000, 0.635406640000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 60 coordinates: [ 0.000000000000000, 0.975498590000000, 0.894189740000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 61 coordinates: [ 0.226177560000000, 0.906049760000000, 0.755472350000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 62 coordinates: [ 0.230026160000000, 0.732846170000000, 0.874937620000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 63 coordinates: [ 0.773822440000000, 0.906049760000000, 0.755472350000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 64 coordinates: [ 0.242455570000000, 0.789272860000000, 0.608846240000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 65 coordinates: [ 0.000000000000000, 0.692327580000000, 0.737409950000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 66 coordinates: [ 0.769973840000000, 0.732846170000000, 0.874937620000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 67 coordinates: [ 0.757544430000000, 0.789272860000000, 0.608846240000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 68 coordinates: [ 0.000000000000000, 0.573764900000000, 0.500097980000000 ] mass: 15.999400 reduced_to: 48supercell: lattice: - [ 12.044082960000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.641151340000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 18.206276460000002 ] # c points: - symbol: Ba # 1 coordinates: [ 0.000000000000000, 0.178523440000000, 0.752658190000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 2 coordinates: [ 0.500000000000000, 0.178523440000000, 0.752658190000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 3 coordinates: [ 0.000000000000000, 0.187365430000000, 0.978691910000000 ] mass: 137.327000 reduced_to: 3 - symbol: Ba # 4 coordinates: [ 0.500000000000000, 0.187365430000000, 0.978691910000000 ] mass: 137.327000 reduced_to: 3 - symbol: Ba # 5 coordinates: [ 0.250000000000000, 0.004476740000000, 0.866035180000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 6 coordinates: [ 0.750000000000000, 0.004476740000000, 0.866035180000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 7 coordinates: [ 0.000000000000000, 0.504596260000000, 0.636196360000000 ] mass: 137.327000 reduced_to: 7 - symbol: Ba # 8 coordinates: [ 0.500000000000000, 0.504596260000000, 0.636196360000000 ] mass: 137.327000 reduced_to: 7 - symbol: Ba # 9 coordinates: [ 0.000000000000000, 0.495523260000000, 0.366035180000000 ] mass: 137.327000 reduced_to: 9 - symbol: Ba # 10 coordinates: [ 0.500000000000000, 0.495523260000000, 0.366035180000000 ] mass: 137.327000 reduced_to: 9 - symbol: Ba # 11 coordinates: [ 0.250000000000000, 0.995403740000000, 0.136196360000000 ] mass: 137.327000 reduced_to: 11 - symbol: Ba # 12 coordinates: [ 0.750000000000000, 0.995403740000000, 0.136196360000000 ] mass: 137.327000 reduced_to: 11 - symbol: Ba # 13 coordinates: [ 0.000000000000000, 0.152004020000000, 0.523680110000000 ] mass: 137.327000 reduced_to: 13 - symbol: Ba # 14 coordinates: [ 0.500000000000000, 0.152004020000000, 0.523680110000000 ] mass: 137.327000 reduced_to: 13 - symbol: Ba # 15 coordinates: [ 0.250000000000000, 0.312634570000000, 0.478691910000000 ] mass: 137.327000 reduced_to: 15 - symbol: Ba # 16 coordinates: [ 0.750000000000000, 0.312634570000000, 0.478691910000000 ] mass: 137.327000 reduced_to: 15 - symbol: Ba # 17 coordinates: [ 0.250000000000000, 0.321476560000000, 0.252658190000000 ] mass: 137.327000 reduced_to: 17 - symbol: Ba # 18 coordinates: [ 0.750000000000000, 0.321476560000000, 0.252658190000000 ] mass: 137.327000 reduced_to: 17 - symbol: Ba # 19 coordinates: [ 0.250000000000000, 0.347995980000000, 0.023680110000000 ] mass: 137.327000 reduced_to: 19 - symbol: Ba # 20 coordinates: [ 0.750000000000000, 0.347995980000000, 0.023680110000000 ] mass: 137.327000 reduced_to: 19 - symbol: Ba # 21 coordinates: [ 0.250000000000000, 0.678523440000000, 0.752658190000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 22 coordinates: [ 0.750000000000000, 0.678523440000000, 0.752658190000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 23 coordinates: [ 0.250000000000000, 0.687365430000000, 0.978691910000000 ] mass: 137.327000 reduced_to: 3 - symbol: Ba # 24 coordinates: [ 0.750000000000000, 0.687365430000000, 0.978691910000000 ] mass: 137.327000 reduced_to: 3 - symbol: Ba # 25 coordinates: [ 0.000000000000000, 0.504476740000000, 0.866035180000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 26 coordinates: [ 0.500000000000000, 0.504476740000000, 0.866035180000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 27 coordinates: [ 0.250000000000000, 0.004596260000000, 0.636196360000000 ] mass: 137.327000 reduced_to: 7 - symbol: Ba # 28 coordinates: [ 0.750000000000000, 0.004596260000000, 0.636196360000000 ] mass: 137.327000 reduced_to: 7 - symbol: Ba # 29 coordinates: [ 0.250000000000000, 0.995523260000000, 0.366035180000000 ] mass: 137.327000 reduced_to: 9 - symbol: Ba # 30 coordinates: [ 0.750000000000000, 0.995523260000000, 0.366035180000000 ] mass: 137.327000 reduced_to: 9 - symbol: Ba # 31 coordinates: [ 0.000000000000000, 0.495403740000000, 0.136196360000000 ] mass: 137.327000 reduced_to: 11 - symbol: Ba # 32 coordinates: [ 0.500000000000000, 0.495403740000000, 0.136196360000000 ] mass: 137.327000 reduced_to: 11 - symbol: Ba # 33 coordinates: [ 0.250000000000000, 0.652004020000000, 0.523680110000000 ] mass: 137.327000 reduced_to: 13 - symbol: Ba # 34 coordinates: [ 0.750000000000000, 0.652004020000000, 0.523680110000000 ] mass: 137.327000 reduced_to: 13 - symbol: Ba # 35 coordinates: [ 0.000000000000000, 0.812634570000000, 0.478691910000000 ] mass: 137.327000 reduced_to: 15 - symbol: Ba # 36 coordinates: [ 0.500000000000000, 0.812634570000000, 0.478691910000000 ] mass: 137.327000 reduced_to: 15 - symbol: Ba # 37 coordinates: [ 0.000000000000000, 0.821476560000000, 0.252658190000000 ] mass: 137.327000 reduced_to: 17 - symbol: Ba # 38 coordinates: [ 0.500000000000000, 0.821476560000000, 0.252658190000000 ] mass: 137.327000 reduced_to: 17 - symbol: Ba # 39 coordinates: [ 0.000000000000000, 0.847995980000000, 0.023680110000000 ] mass: 137.327000 reduced_to: 19 - symbol: Ba # 40 coordinates: [ 0.500000000000000, 0.847995980000000, 0.023680110000000 ] mass: 137.327000 reduced_to: 19 - symbol: Nb # 41 coordinates: [ 0.000000000000000, 0.165192100000000, 0.330435110000000 ] mass: 92.906380 reduced_to: 41 - symbol: Nb # 42 coordinates: [ 0.500000000000000, 0.165192100000000, 0.330435110000000 ] mass: 92.906380 reduced_to: 41 - symbol: Nb # 43 coordinates: [ 0.000000000000000, 0.157912180000000, 0.168971250000000 ] mass: 92.906380 reduced_to: 43 - symbol: Nb # 44 coordinates: [ 0.500000000000000, 0.157912180000000, 0.168971250000000 ] mass: 92.906380 reduced_to: 43 - symbol: Nb # 45 coordinates: [ 0.250000000000000, 0.334807900000000, 0.830435110000000 ] mass: 92.906380 reduced_to: 45 - symbol: Nb # 46 coordinates: [ 0.750000000000000, 0.334807900000000, 0.830435110000000 ] mass: 92.906380 reduced_to: 45 - symbol: Nb # 47 coordinates: [ 0.250000000000000, 0.342087820000000, 0.668971250000000 ] mass: 92.906380 reduced_to: 47 - symbol: Nb # 48 coordinates: [ 0.750000000000000, 0.342087820000000, 0.668971250000000 ] mass: 92.906380 reduced_to: 47 - symbol: Nb # 49 coordinates: [ 0.250000000000000, 0.665192100000000, 0.330435110000000 ] mass: 92.906380 reduced_to: 41 - symbol: Nb # 50 coordinates: [ 0.750000000000000, 0.665192100000000, 0.330435110000000 ] mass: 92.906380 reduced_to: 41 - symbol: Nb # 51 coordinates: [ 0.250000000000000, 0.657912180000000, 0.168971250000000 ] mass: 92.906380 reduced_to: 43 - symbol: Nb # 52 coordinates: [ 0.750000000000000, 0.657912180000000, 0.168971250000000 ] mass: 92.906380 reduced_to: 43 - symbol: Nb # 53 coordinates: [ 0.000000000000000, 0.834807900000000, 0.830435110000000 ] mass: 92.906380 reduced_to: 45 - symbol: Nb # 54 coordinates: [ 0.500000000000000, 0.834807900000000, 0.830435110000000 ] mass: 92.906380 reduced_to: 45 - symbol: Nb # 55 coordinates: [ 0.000000000000000, 0.842087820000000, 0.668971250000000 ] mass: 92.906380 reduced_to: 47 - symbol: Nb # 56 coordinates: [ 0.500000000000000, 0.842087820000000, 0.668971250000000 ] mass: 92.906380 reduced_to: 47 - symbol: O # 57 coordinates: [ 0.000000000000000, 0.426235100000000, 0.000097980000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.500000000000000, 0.426235100000000, 0.000097980000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.115013080000000, 0.267153830000000, 0.374937620000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.615013080000000, 0.267153830000000, 0.374937620000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 61 coordinates: [ 0.121227785000000, 0.210727140000000, 0.108846240000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.621227785000000, 0.210727140000000, 0.108846240000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.000000000000000, 0.307672420000000, 0.237409950000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.500000000000000, 0.307672420000000, 0.237409950000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 65 coordinates: [ 0.113088780000000, 0.093950240000000, 0.255472350000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.613088780000000, 0.093950240000000, 0.255472350000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.384986920000000, 0.267153830000000, 0.374937620000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.884986920000000, 0.267153830000000, 0.374937620000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.378772215000000, 0.210727140000000, 0.108846240000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.878772215000000, 0.210727140000000, 0.108846240000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.386911220000000, 0.093950240000000, 0.255472350000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.886911220000000, 0.093950240000000, 0.255472350000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 73 coordinates: [ 0.000000000000000, 0.024501410000000, 0.394189740000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.500000000000000, 0.024501410000000, 0.394189740000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.000000000000000, 0.982884750000000, 0.135406640000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.500000000000000, 0.982884750000000, 0.135406640000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 77 coordinates: [ 0.250000000000000, 0.517115250000000, 0.635406640000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.750000000000000, 0.517115250000000, 0.635406640000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.250000000000000, 0.475498590000000, 0.894189740000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.750000000000000, 0.475498590000000, 0.894189740000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 81 coordinates: [ 0.363088780000000, 0.406049760000000, 0.755472350000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.863088780000000, 0.406049760000000, 0.755472350000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.365013080000000, 0.232846170000000, 0.874937620000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.865013080000000, 0.232846170000000, 0.874937620000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 85 coordinates: [ 0.136911220000000, 0.406049760000000, 0.755472350000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.636911220000000, 0.406049760000000, 0.755472350000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.371227785000000, 0.289272860000000, 0.608846240000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.871227785000000, 0.289272860000000, 0.608846240000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 89 coordinates: [ 0.250000000000000, 0.192327580000000, 0.737409950000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.750000000000000, 0.192327580000000, 0.737409950000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.134986920000000, 0.232846170000000, 0.874937620000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.634986920000000, 0.232846170000000, 0.874937620000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 93 coordinates: [ 0.128772215000000, 0.289272860000000, 0.608846240000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.628772215000000, 0.289272860000000, 0.608846240000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.250000000000000, 0.073764900000000, 0.500097980000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.750000000000000, 0.073764900000000, 0.500097980000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 97 coordinates: [ 0.250000000000000, 0.926235100000000, 0.000097980000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 98 coordinates: [ 0.750000000000000, 0.926235100000000, 0.000097980000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 99 coordinates: [ 0.365013080000000, 0.767153830000000, 0.374937620000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 100 coordinates: [ 0.865013080000000, 0.767153830000000, 0.374937620000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 101 coordinates: [ 0.371227785000000, 0.710727140000000, 0.108846240000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 102 coordinates: [ 0.871227785000000, 0.710727140000000, 0.108846240000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 103 coordinates: [ 0.250000000000000, 0.807672420000000, 0.237409950000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 104 coordinates: [ 0.750000000000000, 0.807672420000000, 0.237409950000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 105 coordinates: [ 0.363088780000000, 0.593950240000000, 0.255472350000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 106 coordinates: [ 0.863088780000000, 0.593950240000000, 0.255472350000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 107 coordinates: [ 0.134986920000000, 0.767153830000000, 0.374937620000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 108 coordinates: [ 0.634986920000000, 0.767153830000000, 0.374937620000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 109 coordinates: [ 0.128772215000000, 0.710727140000000, 0.108846240000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 110 coordinates: [ 0.628772215000000, 0.710727140000000, 0.108846240000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 111 coordinates: [ 0.136911220000000, 0.593950240000000, 0.255472350000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 112 coordinates: [ 0.636911220000000, 0.593950240000000, 0.255472350000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 113 coordinates: [ 0.250000000000000, 0.524501410000000, 0.394189740000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 114 coordinates: [ 0.750000000000000, 0.524501410000000, 0.394189740000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 115 coordinates: [ 0.250000000000000, 0.482884750000000, 0.135406640000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 116 coordinates: [ 0.750000000000000, 0.482884750000000, 0.135406640000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 117 coordinates: [ 0.000000000000000, 0.017115250000000, 0.635406640000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 118 coordinates: [ 0.500000000000000, 0.017115250000000, 0.635406640000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 119 coordinates: [ 0.000000000000000, 0.975498590000000, 0.894189740000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 120 coordinates: [ 0.500000000000000, 0.975498590000000, 0.894189740000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 121 coordinates: [ 0.113088780000000, 0.906049760000000, 0.755472350000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 122 coordinates: [ 0.613088780000000, 0.906049760000000, 0.755472350000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 123 coordinates: [ 0.115013080000000, 0.732846170000000, 0.874937620000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 124 coordinates: [ 0.615013080000000, 0.732846170000000, 0.874937620000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 125 coordinates: [ 0.386911220000000, 0.906049760000000, 0.755472350000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 126 coordinates: [ 0.886911220000000, 0.906049760000000, 0.755472350000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 127 coordinates: [ 0.121227785000000, 0.789272860000000, 0.608846240000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 128 coordinates: [ 0.621227785000000, 0.789272860000000, 0.608846240000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 129 coordinates: [ 0.000000000000000, 0.692327580000000, 0.737409950000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 130 coordinates: [ 0.500000000000000, 0.692327580000000, 0.737409950000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 131 coordinates: [ 0.384986920000000, 0.732846170000000, 0.874937620000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 132 coordinates: [ 0.884986920000000, 0.732846170000000, 0.874937620000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 133 coordinates: [ 0.378772215000000, 0.789272860000000, 0.608846240000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 134 coordinates: [ 0.878772215000000, 0.789272860000000, 0.608846240000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 135 coordinates: [ 0.000000000000000, 0.573764900000000, 0.500097980000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 136 coordinates: [ 0.500000000000000, 0.573764900000000, 0.500097980000000 ] mass: 15.999400 reduced_to: 95displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0430236500000000, -0.0003833400000000, -0.0005761900000000 ] - [ 0.0061421400000000, -0.0001471900000000, -0.0004070100000000 ] - [ -0.0041665600000000, 0.0001576600000000, 0.0002842400000000 ] - [ 0.0018959000000000, 0.0001616800000000, 0.0003005000000000 ] - [ 0.0041885600000000, -0.0052414300000000, 0.0054575100000000 ] - [ 0.0041771800000000, 0.0048997700000000, -0.0042321000000000 ] - [ -0.0046659700000000, 0.0009591200000000, -0.0000640800000000 ] - [ 0.0027860200000000, 0.0009683100000000, -0.0000740600000000 ] - [ -0.0003295500000000, 0.0001480000000000, 0.0005902800000000 ] - [ 0.0003253500000000, 0.0001497900000000, 0.0005892100000000 ] - [ 0.0000001700000000, -0.0008630800000000, 0.0003095000000000 ] - [ 0.0000023800000000, -0.0010715800000000, -0.0004578700000000 ] - [ -0.0032951800000000, 0.0000050700000000, -0.0008727400000000 ] - [ 0.0019713200000000, 0.0000112000000000, -0.0008989800000000 ] - [ 0.0002022800000000, -0.0001915000000000, -0.0018466900000000 ] - [ 0.0002053700000000, -0.0001309300000000, 0.0024383000000000 ] - [ -0.0000053100000000, 0.0000899600000000, -0.0004302400000000 ] - [ -0.0000024600000000, 0.0002060000000000, -0.0003853000000000 ] - [ 0.0001601700000000, 0.0000458000000000, 0.0012401200000000 ] - [ 0.0001608800000000, -0.0000708100000000, -0.0030312300000000 ] - [ 0.0005362300000000, 0.0013028300000000, -0.0001490000000000 ] - [ 0.0005497700000000, -0.0015910600000000, -0.0006652000000000 ] - [ -0.0000095600000000, 0.0006082200000000, 0.0007903200000000 ] - [ -0.0000050200000000, -0.0002852600000000, -0.0001953300000000 ] - [ -0.0047791900000000, -0.0001550400000000, 0.0005835100000000 ] - [ 0.0026571000000000, -0.0001481300000000, 0.0005905000000000 ] - [ 0.0036254400000000, -0.0039052100000000, -0.0050748800000000 ] - [ 0.0036230700000000, 0.0057914000000000, 0.0048805500000000 ] - [ -0.0000021000000000, 0.0000592800000000, 0.0001868500000000 ] - [ -0.0000001000000000, 0.0002378900000000, 0.0009948800000000 ] - [ -0.0003094500000000, -0.0009656300000000, -0.0000729800000000 ] - [ 0.0003156500000000, -0.0009661100000000, -0.0000734900000000 ] - [ 0.0000125300000000, 0.0007038600000000, -0.0019698000000000 ] - [ 0.0000183100000000, -0.0006739800000000, 0.0001778700000000 ] - [ -0.0004827200000000, -0.0001572600000000, 0.0003053900000000 ] - [ 0.0005095100000000, -0.0001616400000000, 0.0002963500000000 ] - [ -0.0002610300000000, 0.0001483300000000, -0.0004068000000000 ] - [ 0.0002602600000000, 0.0001461700000000, -0.0004071300000000 ] - [ -0.0006092200000000, -0.0000120800000000, -0.0009008800000000 ] - [ 0.0006236800000000, -0.0000139800000000, -0.0008941900000000 ] - [ -0.0008769900000000, 0.0003258900000000, 0.0006547200000000 ] - [ 0.0009100000000000, 0.0003268000000000, 0.0006540700000000 ] - [ -0.0005395000000000, 0.0004664400000000, -0.0018073100000000 ] - [ 0.0005979300000000, 0.0004671700000000, -0.0018072800000000 ] - [ 0.0157464300000000, 0.0104661100000000, 0.0098582800000000 ] - [ 0.0156343700000000, -0.0109894300000000, -0.0084287600000000 ] - [ 0.0123356300000000, 0.0131663200000000, -0.0132078500000000 ] - [ 0.0122481600000000, -0.0139514900000000, 0.0094829000000000 ] - [ 0.0000023300000000, 0.0004344000000000, 0.0004183300000000 ] - [ 0.0000055600000000, 0.0002200500000000, 0.0008906400000000 ] - [ 0.0000054300000000, 0.0006642000000000, -0.0015794700000000 ] - [ 0.0000077200000000, 0.0002725600000000, -0.0020346000000000 ] - [ -0.0091499000000000, -0.0002893800000000, 0.0006386700000000 ] - [ 0.0033375600000000, -0.0003303900000000, 0.0006554800000000 ] - [ -0.0073762800000000, -0.0003984600000000, -0.0018110600000000 ] - [ 0.0031689000000000, -0.0004705500000000, -0.0018077600000000 ] - [ 0.0012649800000000, -0.0008035000000000, 0.0006396500000000 ] - [ -0.0009750800000000, -0.0008053000000000, 0.0006371500000000 ] - [ 0.0009484600000000, 0.0001548400000000, 0.0002963800000000 ] - [ -0.0003976900000000, -0.0003497000000000, -0.0008535300000000 ] - [ 0.0008606800000000, 0.0002156100000000, 0.0006376600000000 ] - [ -0.0001262900000000, -0.0001472200000000, 0.0010538400000000 ] - [ 0.0001317000000000, 0.0003355100000000, 0.0001238800000000 ] - [ -0.0001401400000000, 0.0003362200000000, 0.0001254000000000 ] - [ 0.0007535200000000, -0.0000485200000000, -0.0002880800000000 ] - [ 0.0002352300000000, 0.0000952300000000, -0.0002951200000000 ] - [ -0.0010276600000000, 0.0001831700000000, 0.0003723500000000 ] - [ 0.0003150700000000, -0.0003185700000000, -0.0007783400000000 ] - [ -0.0008552300000000, 0.0002148700000000, 0.0005552000000000 ] - [ 0.0001342500000000, -0.0001498500000000, 0.0009759100000000 ] - [ -0.0007575800000000, -0.0000451000000000, -0.0003008200000000 ] - [ -0.0002404200000000, 0.0000981100000000, -0.0003113400000000 ] - [ 0.0001763400000000, -0.0007646200000000, 0.0003867500000000 ] - [ -0.0001975200000000, -0.0007647200000000, 0.0003896400000000 ] - [ 0.0001706000000000, -0.0000050100000000, -0.0000431300000000 ] - [ -0.0001717700000000, -0.0000089400000000, -0.0000454100000000 ] - [ -0.0007677400000000, -0.0044707000000000, 0.0020279100000000 ] - [ -0.0007707100000000, 0.0044632900000000, -0.0021118200000000 ] - [ -0.0008176100000000, -0.0027457300000000, -0.0026828700000000 ] - [ -0.0008198500000000, 0.0042681400000000, 0.0034560000000000 ] - [ -0.0033481800000000, -0.0023880900000000, -0.0002920100000000 ] - [ 0.0012974600000000, 0.0039911700000000, 0.0002088800000000 ] - [ -0.0036980800000000, 0.0012052200000000, -0.0025476100000000 ] - [ 0.0030173300000000, 0.0011576600000000, 0.0010959800000000 ] - [ 0.0004100900000000, -0.0039846700000000, -0.0008047500000000 ] - [ -0.0043452300000000, 0.0023323000000000, -0.0003124200000000 ] - [ -0.0038007500000000, 0.0001347100000000, 0.0041055500000000 ] - [ 0.0009170000000000, 0.0020901500000000, -0.0046621900000000 ] - [ -0.0063455200000000, -0.0046158300000000, 0.0031100800000000 ] - [ -0.0065469200000000, 0.0039435500000000, -0.0028539500000000 ] - [ 0.0025326400000000, -0.0009251600000000, -0.0014326900000000 ] - [ -0.0043334800000000, -0.0010504800000000, 0.0020569900000000 ] - [ 0.0002532900000000, -0.0021498300000000, 0.0063025700000000 ] - [ -0.0045228700000000, -0.0002064700000000, -0.0024832900000000 ] - [ -0.0000357800000000, 0.0010508800000000, 0.0020991300000000 ] - [ -0.0000415200000000, 0.0005571900000000, -0.0008152800000000 ] - [ 0.0000640900000000, -0.0003201300000000, -0.0008774200000000 ] - [ 0.0000596100000000, -0.0012840600000000, 0.0021463500000000 ] - [ 0.0001161100000000, -0.0001037600000000, -0.0001964000000000 ] - [ 0.0005196100000000, -0.0000549000000000, -0.0002864600000000 ] - [ 0.0001652700000000, 0.0000305300000000, 0.0007234000000000 ] - [ 0.0005542000000000, 0.0000255400000000, 0.0008981200000000 ] - [ 0.0000002000000000, 0.0003493900000000, 0.0000934300000000 ] - [ -0.0000002400000000, 0.0003246100000000, 0.0001529000000000 ] - [ 0.0003569600000000, 0.0000575300000000, -0.0003127900000000 ] - [ 0.0006405700000000, -0.0000067200000000, -0.0002792600000000 ] - [ -0.0001141100000000, -0.0001075900000000, -0.0001948900000000 ] - [ -0.0005227600000000, -0.0000566200000000, -0.0002804400000000 ] - [ -0.0001707700000000, 0.0000406900000000, 0.0007149600000000 ] - [ -0.0005641300000000, 0.0000377200000000, 0.0008875200000000 ] - [ -0.0003575500000000, 0.0000545900000000, -0.0003216200000000 ] - [ -0.0006418000000000, -0.0000098000000000, -0.0002887000000000 ] - [ 0.0000015700000000, -0.0010116200000000, 0.0007862600000000 ] - [ 0.0000012800000000, -0.0005251800000000, -0.0000020300000000 ] - [ 0.0000277000000000, -0.0003709600000000, -0.0005553500000000 ] - [ 0.0000277900000000, 0.0003558700000000, 0.0004660600000000 ] - [ 0.0047795400000000, -0.0000353000000000, -0.0000677600000000 ] - [ -0.0013529300000000, 0.0000103000000000, -0.0000437000000000 ] - [ 0.0029361500000000, 0.0007501300000000, 0.0004021200000000 ] - [ -0.0012518200000000, 0.0007683000000000, 0.0003900900000000 ] - [ 0.0048875800000000, 0.0054251800000000, -0.0008615000000000 ] - [ -0.0017043200000000, -0.0009228800000000, -0.0002737300000000 ] - [ 0.0020219300000000, -0.0004043100000000, -0.0004869400000000 ] - [ -0.0009577700000000, 0.0005119500000000, -0.0003017000000000 ] - [ -0.0027032300000000, 0.0008821400000000, -0.0003251400000000 ] - [ 0.0038402900000000, -0.0055135900000000, 0.0002697600000000 ] - [ 0.0022633000000000, -0.0001659400000000, 0.0006331500000000 ] - [ -0.0011266400000000, -0.0000816600000000, 0.0011120600000000 ] - [ 0.0023724400000000, -0.0003511500000000, 0.0001315500000000 ] - [ -0.0010534000000000, -0.0003359900000000, 0.0001237600000000 ] - [ -0.0015885600000000, -0.0003463100000000, -0.0001794000000000 ] - [ 0.0013729100000000, 0.0005544700000000, 0.0000200100000000 ] - [ -0.0018528100000000, 0.0000180600000000, 0.0005013000000000 ] - [ 0.0015066800000000, 0.0000822900000000, 0.0009631400000000 ] - [ 0.0007042600000000, 0.0007994700000000, 0.0006375900000000 ] - [ -0.0006517900000000, 0.0008045600000000, 0.0006407100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0367030300000000, -0.0132482700000000 ] - [ 0.0000000000000000, -0.0015978100000000, -0.0008242500000000 ] - [ 0.0000000000000000, -0.0027792100000000, 0.0015013600000000 ] - [ 0.0000000000000000, -0.0004596500000000, 0.0011998900000000 ] - [ -0.0043722600000000, -0.0015514000000000, -0.0025722400000000 ] - [ 0.0043722600000000, -0.0015514000000000, -0.0025722400000000 ] - [ 0.0000000000000000, 0.0091780700000000, -0.0060215500000000 ] - [ 0.0000000000000000, 0.0020342900000000, -0.0005968600000000 ] - [ 0.0000000000000000, 0.0001329200000000, 0.0005132400000000 ] - [ 0.0000000000000000, 0.0002215300000000, 0.0005031500000000 ] - [ -0.0000857600000000, -0.0012001800000000, -0.0002524200000000 ] - [ 0.0000857600000000, -0.0012001800000000, -0.0002524200000000 ] - [ 0.0000000000000000, -0.0032608000000000, 0.0012615400000000 ] - [ 0.0000000000000000, -0.0007748400000000, -0.0013517300000000 ] - [ -0.0001028900000000, -0.0005394900000000, -0.0006218000000000 ] - [ 0.0001028900000000, -0.0005394900000000, -0.0006218000000000 ] - [ -0.0000581400000000, 0.0001466900000000, -0.0003081700000000 ] - [ 0.0000581400000000, 0.0001466900000000, -0.0003081700000000 ] - [ 0.0001085800000000, 0.0000462800000000, 0.0003675300000000 ] - [ -0.0001085800000000, 0.0000462800000000, 0.0003675300000000 ] - [ -0.0014381900000000, 0.0035815600000000, -0.0001409300000000 ] - [ 0.0014381900000000, 0.0035815600000000, -0.0001409300000000 ] - [ -0.0006143800000000, 0.0012674600000000, -0.0001939700000000 ] - [ 0.0006143800000000, 0.0012674600000000, -0.0001939700000000 ] - [ 0.0000000000000000, 0.0089655400000000, 0.0064026100000000 ] - [ 0.0000000000000000, 0.0009840200000000, 0.0009592100000000 ] - [ -0.0049094700000000, 0.0000558600000000, 0.0026273500000000 ] - [ 0.0049094700000000, 0.0000558600000000, 0.0026273500000000 ] - [ -0.0001219200000000, 0.0001171700000000, 0.0008308300000000 ] - [ 0.0001219200000000, 0.0001171700000000, 0.0008308300000000 ] - [ 0.0000000000000000, -0.0006810700000000, 0.0002900900000000 ] - [ 0.0000000000000000, -0.0007470200000000, 0.0002017800000000 ] - [ -0.0005027100000000, 0.0012004400000000, -0.0007099900000000 ] - [ 0.0005027100000000, 0.0012004400000000, -0.0007099900000000 ] - [ 0.0000000000000000, 0.0007332200000000, 0.0021286900000000 ] - [ 0.0000000000000000, -0.0000414400000000, 0.0005097900000000 ] - [ 0.0000000000000000, 0.0001859900000000, -0.0003905900000000 ] - [ 0.0000000000000000, 0.0001084000000000, -0.0003951600000000 ] - [ 0.0000000000000000, 0.0002898700000000, -0.0029114200000000 ] - [ 0.0000000000000000, -0.0000557500000000, -0.0010900200000000 ] - [ 0.0000000000000000, 0.0000240200000000, 0.0010887700000000 ] - [ 0.0000000000000000, 0.0001428500000000, 0.0006371200000000 ] - [ 0.0000000000000000, -0.0002202800000000, -0.0013891500000000 ] - [ 0.0000000000000000, 0.0001081600000000, -0.0014404800000000 ] - [ 0.0124364900000000, -0.0020137100000000, 0.0069419500000000 ] - [ -0.0124364900000000, -0.0020137100000000, 0.0069419500000000 ] - [ 0.0104004000000000, -0.0014851200000000, -0.0080935800000000 ] - [ -0.0104004000000000, -0.0014851200000000, -0.0080935800000000 ] - [ -0.0001803400000000, 0.0005879100000000, 0.0008224400000000 ] - [ 0.0001803400000000, 0.0005879100000000, 0.0008224400000000 ] - [ -0.0001346400000000, 0.0010093800000000, -0.0018830200000000 ] - [ 0.0001346400000000, 0.0010093800000000, -0.0018830200000000 ] - [ 0.0000000000000000, 0.0181179500000000, -0.0101827600000000 ] - [ 0.0000000000000000, 0.0001920400000000, 0.0000175800000000 ] - [ 0.0000000000000000, 0.0178163700000000, 0.0055268600000000 ] - [ 0.0000000000000000, -0.0002256200000000, -0.0017745000000000 ] - [ 0.0000000000000000, -0.0006963800000000, -0.0008232000000000 ] - [ 0.0000000000000000, -0.0009923400000000, 0.0000969700000000 ] - [ 0.0005312700000000, 0.0000863000000000, -0.0002709600000000 ] - [ 0.0004107300000000, 0.0000223900000000, -0.0000655900000000 ] - [ 0.0005641700000000, 0.0002953000000000, 0.0003196300000000 ] - [ 0.0004781600000000, 0.0002390400000000, 0.0004239700000000 ] - [ 0.0000000000000000, 0.0004599100000000, -0.0000035700000000 ] - [ 0.0000000000000000, 0.0003581600000000, 0.0000539200000000 ] - [ 0.0004964800000000, 0.0001155800000000, -0.0004419300000000 ] - [ 0.0004019300000000, 0.0001208000000000, -0.0003635000000000 ] - [ -0.0004107300000000, 0.0000223900000000, -0.0000655900000000 ] - [ -0.0005312700000000, 0.0000863000000000, -0.0002709600000000 ] - [ -0.0004781600000000, 0.0002390400000000, 0.0004239700000000 ] - [ -0.0005641700000000, 0.0002953000000000, 0.0003196300000000 ] - [ -0.0004019300000000, 0.0001208000000000, -0.0003635000000000 ] - [ -0.0004964800000000, 0.0001155800000000, -0.0004419300000000 ] - [ 0.0000000000000000, -0.0005149000000000, -0.0000161000000000 ] - [ 0.0000000000000000, -0.0006141000000000, 0.0004055800000000 ] - [ 0.0000000000000000, 0.0006543100000000, 0.0004172000000000 ] - [ 0.0000000000000000, 0.0002670500000000, 0.0000330800000000 ] - [ -0.0007611100000000, -0.0019283300000000, 0.0014559800000000 ] - [ 0.0007611100000000, -0.0019283300000000, 0.0014559800000000 ] - [ -0.0007617800000000, -0.0007932800000000, -0.0014829700000000 ] - [ 0.0007617800000000, -0.0007932800000000, -0.0014829700000000 ] - [ -0.0016749900000000, 0.0000932000000000, 0.0001381900000000 ] - [ 0.0070032400000000, 0.0008310300000000, -0.0006293700000000 ] - [ -0.0017786800000000, 0.0022403600000000, -0.0012340800000000 ] - [ 0.0014846100000000, 0.0043142600000000, -0.0018587000000000 ] - [ -0.0070032400000000, 0.0008310300000000, -0.0006293700000000 ] - [ 0.0016749900000000, 0.0000932000000000, 0.0001381900000000 ] - [ -0.0014843000000000, 0.0007011600000000, 0.0022659100000000 ] - [ 0.0017141600000000, 0.0017429500000000, 0.0039107700000000 ] - [ -0.0006247300000000, 0.0051863600000000, 0.0005783100000000 ] - [ 0.0006247300000000, 0.0051863600000000, 0.0005783100000000 ] - [ -0.0014846100000000, 0.0043142600000000, -0.0018587000000000 ] - [ 0.0017786800000000, 0.0022403600000000, -0.0012340800000000 ] - [ -0.0017141600000000, 0.0017429500000000, 0.0039107700000000 ] - [ 0.0014843000000000, 0.0007011600000000, 0.0022659100000000 ] - [ 0.0003670700000000, 0.0017327500000000, -0.0001959100000000 ] - [ -0.0003670700000000, 0.0017327500000000, -0.0001959100000000 ] - [ 0.0004227000000000, -0.0008270200000000, 0.0014583400000000 ] - [ -0.0004227000000000, -0.0008270200000000, 0.0014583400000000 ] - [ 0.0003474800000000, -0.0001276200000000, -0.0002655500000000 ] - [ -0.0000184500000000, -0.0003061200000000, -0.0005872300000000 ] - [ 0.0004043100000000, -0.0000917300000000, 0.0009726500000000 ] - [ 0.0000516000000000, -0.0003347800000000, 0.0011554500000000 ] - [ 0.0000306000000000, 0.0002837300000000, 0.0000786300000000 ] - [ -0.0000306000000000, 0.0002837300000000, 0.0000786300000000 ] - [ 0.0006038900000000, -0.0000884000000000, -0.0003514600000000 ] - [ 0.0005613000000000, -0.0001001700000000, -0.0003761900000000 ] - [ 0.0000184500000000, -0.0003061200000000, -0.0005872300000000 ] - [ -0.0003474800000000, -0.0001276200000000, -0.0002655500000000 ] - [ -0.0000516000000000, -0.0003347800000000, 0.0011554500000000 ] - [ -0.0004043100000000, -0.0000917300000000, 0.0009726500000000 ] - [ -0.0005613000000000, -0.0001001700000000, -0.0003761900000000 ] - [ -0.0006038900000000, -0.0000884000000000, -0.0003514600000000 ] - [ 0.0000082000000000, -0.0009436700000000, 0.0004016500000000 ] - [ -0.0000082000000000, -0.0009436700000000, 0.0004016500000000 ] - [ 0.0000137600000000, -0.0005273500000000, -0.0004645200000000 ] - [ -0.0000137600000000, -0.0005273500000000, -0.0004645200000000 ] - [ 0.0000000000000000, 0.0027985800000000, 0.0023903600000000 ] - [ 0.0000000000000000, 0.0006502800000000, -0.0000482500000000 ] - [ 0.0000000000000000, -0.0017547500000000, 0.0056731300000000 ] - [ 0.0000000000000000, 0.0012549100000000, 0.0005994800000000 ] - [ 0.0027886100000000, -0.0078966100000000, 0.0009998100000000 ] - [ -0.0002819100000000, -0.0001513000000000, -0.0001138500000000 ] - [ 0.0028461100000000, -0.0044404300000000, 0.0024808400000000 ] - [ 0.0001329500000000, -0.0004915100000000, -0.0000593100000000 ] - [ 0.0002819100000000, -0.0001513000000000, -0.0001138500000000 ] - [ -0.0027886100000000, -0.0078966100000000, 0.0009998100000000 ] - [ 0.0032798400000000, -0.0027019000000000, -0.0020818400000000 ] - [ -0.0001118100000000, -0.0004303900000000, 0.0006593300000000 ] - [ 0.0000000000000000, -0.0064409500000000, 0.0004232900000000 ] - [ 0.0000000000000000, -0.0010861900000000, 0.0001584500000000 ] - [ -0.0001329500000000, -0.0004915100000000, -0.0000593100000000 ] - [ -0.0028461100000000, -0.0044404300000000, 0.0024808400000000 ] - [ 0.0001118100000000, -0.0004303900000000, 0.0006593300000000 ] - [ -0.0032798400000000, -0.0027019000000000, -0.0020818400000000 ] - [ 0.0000000000000000, -0.0005090000000000, 0.0019263800000000 ] - [ 0.0000000000000000, 0.0003817900000000, 0.0010474400000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0362854800000000, 0.0126949700000000 ] - [ 0.0000000000000000, 0.0013081900000000, 0.0000087900000000 ] - [ 0.0000000000000000, 0.0030956300000000, -0.0009531400000000 ] - [ 0.0000000000000000, 0.0007769200000000, -0.0006108800000000 ] - [ 0.0043850900000000, 0.0012965500000000, 0.0037665400000000 ] - [ -0.0043850900000000, 0.0012965500000000, 0.0037665400000000 ] - [ 0.0000000000000000, -0.0072089600000000, 0.0057958700000000 ] - [ 0.0000000000000000, -0.0001131400000000, 0.0004477600000000 ] - [ 0.0000000000000000, 0.0001524800000000, 0.0006682700000000 ] - [ 0.0000000000000000, 0.0000675900000000, 0.0006825100000000 ] - [ 0.0000852400000000, -0.0007274000000000, 0.0000986500000000 ] - [ -0.0000852400000000, -0.0007274000000000, 0.0000986500000000 ] - [ 0.0000000000000000, 0.0033067900000000, -0.0030340000000000 ] - [ 0.0000000000000000, 0.0008075200000000, -0.0004372200000000 ] - [ 0.0001030600000000, 0.0002264200000000, 0.0012244200000000 ] - [ -0.0001030600000000, 0.0002264200000000, 0.0012244200000000 ] - [ 0.0000572000000000, 0.0001510500000000, -0.0005091700000000 ] - [ -0.0000572000000000, 0.0001510500000000, -0.0005091700000000 ] - [ -0.0001081500000000, -0.0000775600000000, -0.0021702100000000 ] - [ 0.0001081500000000, -0.0000775600000000, -0.0021702100000000 ] - [ 0.0014549300000000, -0.0038963900000000, -0.0006782500000000 ] - [ -0.0014549300000000, -0.0038963900000000, -0.0006782500000000 ] - [ 0.0006211400000000, -0.0009586900000000, 0.0007958500000000 ] - [ -0.0006211400000000, -0.0009586900000000, 0.0007958500000000 ] - [ 0.0000000000000000, -0.0092055300000000, -0.0051439900000000 ] - [ 0.0000000000000000, -0.0012798300000000, 0.0002221400000000 ] - [ 0.0049270800000000, 0.0018990500000000, -0.0027883000000000 ] - [ -0.0049270800000000, 0.0018990500000000, -0.0027883000000000 ] - [ 0.0001222500000000, 0.0001724900000000, 0.0003548700000000 ] - [ -0.0001222500000000, 0.0001724900000000, 0.0003548700000000 ] - [ 0.0000000000000000, -0.0012465200000000, -0.0004408200000000 ] - [ 0.0000000000000000, -0.0011821800000000, -0.0003567900000000 ] - [ 0.0005092900000000, -0.0011769100000000, -0.0010843900000000 ] - [ -0.0005092900000000, -0.0011769100000000, -0.0010843900000000 ] - [ 0.0000000000000000, -0.0010430100000000, -0.0015423200000000 ] - [ 0.0000000000000000, -0.0002727700000000, 0.0000849600000000 ] - [ 0.0000000000000000, 0.0001126800000000, -0.0004255700000000 ] - [ 0.0000000000000000, 0.0001878000000000, -0.0004208900000000 ] - [ 0.0000000000000000, -0.0003178400000000, 0.0011308800000000 ] - [ 0.0000000000000000, 0.0000267200000000, -0.0007011700000000 ] - [ 0.0000000000000000, 0.0006246700000000, 0.0002251100000000 ] - [ 0.0000000000000000, 0.0005058500000000, 0.0006792200000000 ] - [ 0.0000000000000000, 0.0011581900000000, -0.0022400600000000 ] - [ 0.0000000000000000, 0.0008277900000000, -0.0021864600000000 ] - [ -0.0124331100000000, 0.0012814300000000, -0.0055830100000000 ] - [ 0.0124331100000000, 0.0012814300000000, -0.0055830100000000 ] - [ -0.0103719200000000, 0.0004852400000000, 0.0044611000000000 ] - [ 0.0103719200000000, 0.0004852400000000, 0.0044611000000000 ] - [ 0.0001822800000000, 0.0000590200000000, 0.0004932600000000 ] - [ -0.0001822800000000, 0.0000590200000000, 0.0004932600000000 ] - [ 0.0001357900000000, -0.0000777300000000, -0.0017420500000000 ] - [ -0.0001357900000000, -0.0000777300000000, -0.0017420500000000 ] - [ 0.0000000000000000, -0.0189494000000000, 0.0116239900000000 ] - [ 0.0000000000000000, -0.0008403200000000, 0.0013006400000000 ] - [ 0.0000000000000000, -0.0189000000000000, -0.0092698800000000 ] - [ 0.0000000000000000, -0.0007075700000000, -0.0018509800000000 ] - [ 0.0000000000000000, -0.0009021200000000, 0.0020911900000000 ] - [ 0.0000000000000000, -0.0006170500000000, 0.0011833500000000 ] - [ 0.0001000200000000, -0.0002421300000000, -0.0001969100000000 ] - [ 0.0002199700000000, -0.0001803000000000, -0.0004042000000000 ] - [ 0.0001648400000000, -0.0002338400000000, 0.0012888800000000 ] - [ 0.0002534200000000, -0.0001768100000000, 0.0011801500000000 ] - [ 0.0000000000000000, 0.0002291300000000, 0.0002555500000000 ] - [ 0.0000000000000000, 0.0003307400000000, 0.0001993600000000 ] - [ 0.0005116800000000, -0.0000744100000000, -0.0001587600000000 ] - [ 0.0006062900000000, -0.0000793500000000, -0.0002356900000000 ] - [ -0.0002199700000000, -0.0001803000000000, -0.0004042000000000 ] - [ -0.0001000200000000, -0.0002421300000000, -0.0001969100000000 ] - [ -0.0002534200000000, -0.0001768100000000, 0.0011801500000000 ] - [ -0.0001648400000000, -0.0002338400000000, 0.0012888800000000 ] - [ -0.0006062900000000, -0.0000793500000000, -0.0002356900000000 ] - [ -0.0005116800000000, -0.0000744100000000, -0.0001587600000000 ] - [ 0.0000000000000000, -0.0010178000000000, 0.0008019500000000 ] - [ 0.0000000000000000, -0.0009165300000000, 0.0003787600000000 ] - [ 0.0000000000000000, -0.0006725200000000, -0.0005134800000000 ] - [ 0.0000000000000000, -0.0002858000000000, -0.0001281300000000 ] - [ 0.0007538400000000, 0.0019659600000000, -0.0015535300000000 ] - [ -0.0007538400000000, 0.0019659600000000, -0.0015535300000000 ] - [ 0.0007570900000000, 0.0023471500000000, 0.0022786900000000 ] - [ -0.0007570900000000, 0.0023471500000000, 0.0022786900000000 ] - [ 0.0026937600000000, -0.0001232300000000, -0.0007466300000000 ] - [ -0.0061150000000000, -0.0006171300000000, 0.0000381300000000 ] - [ 0.0024239100000000, -0.0020853200000000, 0.0007734500000000 ] - [ -0.0009091200000000, -0.0041041500000000, 0.0014077300000000 ] - [ 0.0061150000000000, -0.0006171300000000, 0.0000381300000000 ] - [ -0.0026937600000000, -0.0001232300000000, -0.0007466300000000 ] - [ 0.0022178300000000, -0.0007617600000000, -0.0006724200000000 ] - [ -0.0010104300000000, -0.0017691400000000, -0.0023288400000000 ] - [ 0.0006549800000000, -0.0058493200000000, -0.0003444500000000 ] - [ -0.0006549800000000, -0.0058493200000000, -0.0003444500000000 ] - [ 0.0009091200000000, -0.0041041500000000, 0.0014077300000000 ] - [ -0.0024239100000000, -0.0020853200000000, 0.0007734500000000 ] - [ 0.0010104300000000, -0.0017691400000000, -0.0023288400000000 ] - [ -0.0022178300000000, -0.0007617600000000, -0.0006724200000000 ] - [ -0.0003681300000000, -0.0001253700000000, 0.0014765900000000 ] - [ 0.0003681300000000, -0.0001253700000000, 0.0014765900000000 ] - [ -0.0004253000000000, -0.0007875400000000, -0.0001840100000000 ] - [ 0.0004253000000000, -0.0007875400000000, -0.0001840100000000 ] - [ 0.0002871300000000, -0.0000270400000000, -0.0002001000000000 ] - [ 0.0006561300000000, 0.0001522100000000, 0.0001236100000000 ] - [ 0.0003268000000000, 0.0001550900000000, 0.0006286700000000 ] - [ 0.0006819100000000, 0.0003989500000000, 0.0004448200000000 ] - [ -0.0000312100000000, 0.0004054400000000, 0.0001726800000000 ] - [ 0.0000312100000000, 0.0004054400000000, 0.0001726800000000 ] - [ 0.0004058700000000, 0.0001295800000000, -0.0002507800000000 ] - [ 0.0004506000000000, 0.0001410300000000, -0.0002252900000000 ] - [ -0.0006561300000000, 0.0001522100000000, 0.0001236100000000 ] - [ -0.0002871300000000, -0.0000270400000000, -0.0002001000000000 ] - [ -0.0006819100000000, 0.0003989500000000, 0.0004448200000000 ] - [ -0.0003268000000000, 0.0001550900000000, 0.0006286700000000 ] - [ -0.0004506000000000, 0.0001410300000000, -0.0002252900000000 ] - [ -0.0004058700000000, 0.0001295800000000, -0.0002507800000000 ] - [ -0.0000093400000000, -0.0005877200000000, 0.0003858300000000 ] - [ 0.0000093400000000, -0.0005877200000000, 0.0003858300000000 ] - [ -0.0000147900000000, 0.0005163400000000, 0.0003732500000000 ] - [ 0.0000147900000000, 0.0005163400000000, 0.0003732500000000 ] - [ 0.0000000000000000, -0.0029773300000000, -0.0027096000000000 ] - [ 0.0000000000000000, -0.0006401100000000, -0.0000465400000000 ] - [ 0.0000000000000000, 0.0032406200000000, -0.0049299300000000 ] - [ 0.0000000000000000, 0.0002718700000000, 0.0001845900000000 ] - [ -0.0017958200000000, 0.0078166200000000, -0.0016146500000000 ] - [ 0.0012960000000000, 0.0001084600000000, -0.0004878900000000 ] - [ -0.0022287200000000, 0.0046110500000000, -0.0029639700000000 ] - [ 0.0005028700000000, 0.0006494800000000, -0.0004083700000000 ] - [ -0.0012960000000000, 0.0001084600000000, -0.0004878900000000 ] - [ 0.0017958200000000, 0.0078166200000000, -0.0016146500000000 ] - [ -0.0025598300000000, 0.0026434000000000, 0.0037013600000000 ] - [ 0.0008460800000000, 0.0003676400000000, 0.0009436500000000 ] - [ 0.0000000000000000, 0.0057478200000000, -0.0001671200000000 ] - [ 0.0000000000000000, 0.0004000700000000, 0.0000932900000000 ] - [ -0.0005028700000000, 0.0006494800000000, -0.0004083700000000 ] - [ 0.0022287200000000, 0.0046110500000000, -0.0029639700000000 ] - [ -0.0008460800000000, 0.0003676400000000, 0.0009436500000000 ] - [ 0.0025598300000000, 0.0026434000000000, 0.0037013600000000 ] - [ 0.0000000000000000, 0.0021184100000000, -0.0006326900000000 ] - [ 0.0000000000000000, 0.0012325800000000, 0.0002278000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0130490600000000, -0.0455517100000000 ] - [ 0.0000000000000000, -0.0005599800000000, -0.0022091500000000 ] - [ 0.0000000000000000, 0.0006004700000000, 0.0117377000000000 ] - [ 0.0000000000000000, -0.0000449100000000, 0.0012067600000000 ] - [ 0.0042187700000000, -0.0035852900000000, 0.0004313700000000 ] - [ -0.0042187700000000, -0.0035852900000000, 0.0004313700000000 ] - [ 0.0000000000000000, -0.0035342800000000, -0.0001730100000000 ] - [ 0.0000000000000000, 0.0008488400000000, -0.0010060500000000 ] - [ 0.0000000000000000, 0.0000908300000000, 0.0016996200000000 ] - [ 0.0000000000000000, 0.0000953400000000, 0.0011812100000000 ] - [ 0.0001657200000000, -0.0009848300000000, 0.0008710800000000 ] - [ -0.0001657200000000, -0.0009848300000000, 0.0008710800000000 ] - [ 0.0000000000000000, 0.0003179700000000, 0.0095419200000000 ] - [ 0.0000000000000000, 0.0001489300000000, -0.0006078300000000 ] - [ -0.0008060800000000, -0.0006107400000000, 0.0020877200000000 ] - [ 0.0008060800000000, -0.0006107400000000, 0.0020877200000000 ] - [ 0.0000234200000000, 0.0000455500000000, 0.0004422400000000 ] - [ -0.0000234200000000, 0.0000455500000000, 0.0004422400000000 ] - [ 0.0007816900000000, 0.0003245300000000, 0.0010265800000000 ] - [ -0.0007816900000000, 0.0003245300000000, 0.0010265800000000 ] - [ -0.0002596800000000, 0.0001204600000000, -0.0020135800000000 ] - [ 0.0002596800000000, 0.0001204600000000, -0.0020135800000000 ] - [ 0.0003103200000000, 0.0003701300000000, 0.0005925400000000 ] - [ -0.0003103200000000, 0.0003701300000000, 0.0005925400000000 ] - [ 0.0000000000000000, 0.0059763300000000, 0.0006841100000000 ] - [ 0.0000000000000000, 0.0004252700000000, -0.0000382200000000 ] - [ -0.0050448300000000, 0.0034697500000000, 0.0002522300000000 ] - [ 0.0050448300000000, 0.0034697500000000, 0.0002522300000000 ] - [ -0.0001466600000000, 0.0003745900000000, 0.0016207700000000 ] - [ 0.0001466600000000, 0.0003745900000000, 0.0016207700000000 ] - [ 0.0000000000000000, -0.0006868400000000, 0.0011498000000000 ] - [ 0.0000000000000000, -0.0008645700000000, 0.0006222600000000 ] - [ -0.0006657200000000, 0.0000818300000000, -0.0002152600000000 ] - [ 0.0006657200000000, 0.0000818300000000, -0.0002152600000000 ] - [ 0.0000000000000000, 0.0004154600000000, 0.0020831400000000 ] - [ 0.0000000000000000, -0.0000719400000000, 0.0007179800000000 ] - [ 0.0000000000000000, 0.0001278700000000, 0.0004269700000000 ] - [ 0.0000000000000000, 0.0001307500000000, 0.0001841300000000 ] - [ 0.0000000000000000, -0.0007008100000000, 0.0006033300000000 ] - [ 0.0000000000000000, -0.0001330900000000, -0.0005166900000000 ] - [ 0.0000000000000000, 0.0003733300000000, 0.0036194500000000 ] - [ 0.0000000000000000, 0.0006258900000000, 0.0024446300000000 ] - [ 0.0000000000000000, 0.0003323000000000, 0.0012211600000000 ] - [ 0.0000000000000000, 0.0004028100000000, 0.0000717400000000 ] - [ 0.0132797800000000, 0.0083868400000000, -0.0090951700000000 ] - [ -0.0132797800000000, 0.0083868400000000, -0.0090951700000000 ] - [ -0.0101866200000000, -0.0065244600000000, -0.0104284800000000 ] - [ 0.0101866200000000, -0.0065244600000000, -0.0104284800000000 ] - [ -0.0002363400000000, 0.0005112600000000, 0.0024481400000000 ] - [ 0.0002363400000000, 0.0005112600000000, 0.0024481400000000 ] - [ 0.0002177100000000, 0.0008014200000000, 0.0000101400000000 ] - [ -0.0002177100000000, 0.0008014200000000, 0.0000101400000000 ] - [ 0.0000000000000000, -0.0082782100000000, -0.0089544300000000 ] - [ 0.0000000000000000, -0.0003547200000000, -0.0017268500000000 ] - [ 0.0000000000000000, 0.0148283600000000, -0.0109417200000000 ] - [ 0.0000000000000000, -0.0000844400000000, -0.0043882600000000 ] - [ 0.0000000000000000, -0.0023511900000000, -0.0009862400000000 ] - [ 0.0000000000000000, -0.0010755000000000, 0.0002857300000000 ] - [ 0.0001206600000000, -0.0002663300000000, -0.0014321300000000 ] - [ -0.0002013500000000, -0.0003119600000000, -0.0011646100000000 ] - [ 0.0006127400000000, 0.0002514200000000, -0.0008476500000000 ] - [ 0.0008656800000000, 0.0002789900000000, -0.0000430100000000 ] - [ 0.0000000000000000, 0.0002301700000000, -0.0011781700000000 ] - [ 0.0000000000000000, 0.0002805500000000, -0.0007002800000000 ] - [ 0.0005597100000000, 0.0000080000000000, -0.0016902800000000 ] - [ 0.0005319100000000, 0.0000020300000000, -0.0012600800000000 ] - [ 0.0002013500000000, -0.0003119600000000, -0.0011646100000000 ] - [ -0.0001206600000000, -0.0002663300000000, -0.0014321300000000 ] - [ -0.0008656800000000, 0.0002789900000000, -0.0000430100000000 ] - [ -0.0006127400000000, 0.0002514200000000, -0.0008476500000000 ] - [ -0.0005319100000000, 0.0000020300000000, -0.0012600800000000 ] - [ -0.0005597100000000, 0.0000080000000000, -0.0016902800000000 ] - [ 0.0000000000000000, -0.0004592000000000, -0.0013990500000000 ] - [ 0.0000000000000000, -0.0005743200000000, -0.0002271100000000 ] - [ 0.0000000000000000, -0.0002006600000000, -0.0010200300000000 ] - [ 0.0000000000000000, -0.0001415800000000, -0.0005722600000000 ] - [ 0.0005720300000000, 0.0010851400000000, 0.0011946600000000 ] - [ -0.0005720300000000, 0.0010851400000000, 0.0011946600000000 ] - [ -0.0009314400000000, -0.0006397000000000, 0.0003070400000000 ] - [ 0.0009314400000000, -0.0006397000000000, 0.0003070400000000 ] - [ -0.0001744000000000, -0.0000543400000000, 0.0041717000000000 ] - [ 0.0010380600000000, -0.0009928700000000, 0.0072261500000000 ] - [ -0.0019528300000000, 0.0003038300000000, 0.0004477700000000 ] - [ 0.0060033100000000, -0.0034883300000000, 0.0062869100000000 ] - [ -0.0010380600000000, -0.0009928700000000, 0.0072261500000000 ] - [ 0.0001744000000000, -0.0000543400000000, 0.0041717000000000 ] - [ 0.0012635700000000, 0.0000692800000000, 0.0012054800000000 ] - [ -0.0083243800000000, 0.0050982200000000, 0.0003860300000000 ] - [ 0.0009198600000000, 0.0001811400000000, 0.0061438200000000 ] - [ -0.0009198600000000, 0.0001811400000000, 0.0061438200000000 ] - [ -0.0060033100000000, -0.0034883300000000, 0.0062869100000000 ] - [ 0.0019528300000000, 0.0003038300000000, 0.0004477700000000 ] - [ 0.0083243800000000, 0.0050982200000000, 0.0003860300000000 ] - [ -0.0012635700000000, 0.0000692800000000, 0.0012054800000000 ] - [ 0.0008994700000000, 0.0005736700000000, -0.0005474200000000 ] - [ -0.0008994700000000, 0.0005736700000000, -0.0005474200000000 ] - [ -0.0004290000000000, -0.0004162400000000, -0.0002286300000000 ] - [ 0.0004290000000000, -0.0004162400000000, -0.0002286300000000 ] - [ 0.0002489600000000, -0.0002765700000000, -0.0007685500000000 ] - [ -0.0001594800000000, -0.0004144400000000, -0.0011360800000000 ] - [ 0.0004944100000000, 0.0001311700000000, 0.0002538100000000 ] - [ 0.0008806800000000, 0.0002307900000000, 0.0000150000000000 ] - [ 0.0000026400000000, 0.0002220600000000, -0.0007634500000000 ] - [ -0.0000026400000000, 0.0002220600000000, -0.0007634500000000 ] - [ 0.0005405400000000, -0.0000278900000000, -0.0011997900000000 ] - [ 0.0005484300000000, -0.0000488500000000, -0.0012733600000000 ] - [ 0.0001594800000000, -0.0004144400000000, -0.0011360800000000 ] - [ -0.0002489600000000, -0.0002765700000000, -0.0007685500000000 ] - [ -0.0008806800000000, 0.0002307900000000, 0.0000150000000000 ] - [ -0.0004944100000000, 0.0001311700000000, 0.0002538100000000 ] - [ -0.0005484300000000, -0.0000488500000000, -0.0012733600000000 ] - [ -0.0005405400000000, -0.0000278900000000, -0.0011997900000000 ] - [ 0.0000775600000000, -0.0002972400000000, -0.0004129800000000 ] - [ -0.0000775600000000, -0.0002972400000000, -0.0004129800000000 ] - [ -0.0000609600000000, -0.0006019500000000, -0.0010263600000000 ] - [ 0.0000609600000000, -0.0006019500000000, -0.0010263600000000 ] - [ 0.0000000000000000, -0.0043551700000000, 0.0089235300000000 ] - [ 0.0000000000000000, -0.0004520100000000, 0.0007335600000000 ] - [ 0.0000000000000000, 0.0103281400000000, 0.0007618500000000 ] - [ 0.0000000000000000, 0.0015771400000000, 0.0010497200000000 ] - [ 0.0005801100000000, -0.0007645900000000, 0.0059518100000000 ] - [ 0.0004880200000000, -0.0000617200000000, 0.0013706400000000 ] - [ -0.0001360000000000, -0.0001382100000000, 0.0008482300000000 ] - [ 0.0007215200000000, -0.0002060600000000, 0.0004378600000000 ] - [ -0.0004880200000000, -0.0000617200000000, 0.0013706400000000 ] - [ -0.0005801100000000, -0.0007645900000000, 0.0059518100000000 ] - [ 0.0017024300000000, -0.0018376000000000, 0.0006278400000000 ] - [ -0.0005298800000000, -0.0001941200000000, 0.0013869400000000 ] - [ 0.0000000000000000, -0.0017195900000000, 0.0048787000000000 ] - [ 0.0000000000000000, -0.0005268900000000, 0.0012906500000000 ] - [ -0.0007215200000000, -0.0002060600000000, 0.0004378600000000 ] - [ 0.0001360000000000, -0.0001382100000000, 0.0008482300000000 ] - [ 0.0005298800000000, -0.0001941200000000, 0.0013869400000000 ] - [ -0.0017024300000000, -0.0018376000000000, 0.0006278400000000 ] - [ 0.0000000000000000, 0.0009345300000000, -0.0004180500000000 ] - [ 0.0000000000000000, 0.0007721300000000, 0.0005002500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0128945800000000, 0.0445485600000000 ] - [ 0.0000000000000000, 0.0002711300000000, 0.0013936500000000 ] - [ 0.0000000000000000, -0.0002729700000000, -0.0109894700000000 ] - [ 0.0000000000000000, 0.0003681600000000, -0.0006146900000000 ] - [ -0.0041995400000000, 0.0032758000000000, 0.0007316200000000 ] - [ 0.0041995400000000, 0.0032758000000000, 0.0007316200000000 ] - [ 0.0000000000000000, 0.0054821900000000, 0.0000525800000000 ] - [ 0.0000000000000000, 0.0010805400000000, 0.0008644800000000 ] - [ 0.0000000000000000, 0.0002064300000000, -0.0005169400000000 ] - [ 0.0000000000000000, 0.0002029700000000, 0.0000014500000000 ] - [ -0.0001648800000000, -0.0009506000000000, -0.0010208200000000 ] - [ 0.0001648800000000, -0.0009506000000000, -0.0010208200000000 ] - [ 0.0000000000000000, -0.0003018600000000, -0.0114644400000000 ] - [ 0.0000000000000000, -0.0001222800000000, -0.0011791200000000 ] - [ 0.0008118700000000, 0.0002921800000000, -0.0014915300000000 ] - [ -0.0008118700000000, 0.0002921800000000, -0.0014915300000000 ] - [ -0.0000231900000000, 0.0002493300000000, -0.0012569000000000 ] - [ 0.0000231900000000, 0.0002493300000000, -0.0012569000000000 ] - [ -0.0007746700000000, -0.0003464700000000, -0.0028245000000000 ] - [ 0.0007746700000000, -0.0003464700000000, -0.0028245000000000 ] - [ 0.0002558000000000, -0.0004196300000000, 0.0011990000000000 ] - [ -0.0002558000000000, -0.0004196300000000, 0.0011990000000000 ] - [ -0.0003086100000000, -0.0000493100000000, 0.0000010700000000 ] - [ 0.0003086100000000, -0.0000493100000000, 0.0000010700000000 ] - [ 0.0000000000000000, -0.0062511300000000, 0.0004692800000000 ] - [ 0.0000000000000000, -0.0007236100000000, 0.0012142200000000 ] - [ 0.0050664700000000, -0.0015444100000000, -0.0003806700000000 ] - [ -0.0050664700000000, -0.0015444100000000, -0.0003806700000000 ] - [ 0.0001477500000000, -0.0000784400000000, -0.0004371000000000 ] - [ -0.0001477500000000, -0.0000784400000000, -0.0004371000000000 ] - [ 0.0000000000000000, -0.0012424300000000, -0.0012927400000000 ] - [ 0.0000000000000000, -0.0010683200000000, -0.0007717200000000 ] - [ 0.0006681800000000, -0.0000587300000000, -0.0015745200000000 ] - [ -0.0006681800000000, -0.0000587300000000, -0.0015745200000000 ] - [ 0.0000000000000000, -0.0007389700000000, -0.0014834400000000 ] - [ 0.0000000000000000, -0.0002516800000000, -0.0001186500000000 ] - [ 0.0000000000000000, 0.0001647500000000, -0.0012400600000000 ] - [ 0.0000000000000000, 0.0001595900000000, -0.0009975700000000 ] - [ 0.0000000000000000, 0.0006718300000000, -0.0023939600000000 ] - [ 0.0000000000000000, 0.0001071900000000, -0.0012781900000000 ] - [ 0.0000000000000000, 0.0002789100000000, -0.0023215000000000 ] - [ 0.0000000000000000, 0.0000229300000000, -0.0011400200000000 ] - [ 0.0000000000000000, 0.0005991400000000, -0.0048310700000000 ] - [ 0.0000000000000000, 0.0005313900000000, -0.0036879000000000 ] - [ -0.0132713200000000, -0.0089964000000000, 0.0102948900000000 ] - [ 0.0132713200000000, -0.0089964000000000, 0.0102948900000000 ] - [ 0.0102132900000000, 0.0055787500000000, 0.0069175200000000 ] - [ -0.0102132900000000, 0.0055787500000000, 0.0069175200000000 ] - [ 0.0002380000000000, 0.0001376400000000, -0.0011456800000000 ] - [ -0.0002380000000000, 0.0001376400000000, -0.0011456800000000 ] - [ -0.0002159800000000, 0.0001330300000000, -0.0036234900000000 ] - [ 0.0002159800000000, 0.0001330300000000, -0.0036234900000000 ] - [ 0.0000000000000000, 0.0076240200000000, 0.0101832300000000 ] - [ 0.0000000000000000, -0.0002940200000000, 0.0030225900000000 ] - [ 0.0000000000000000, -0.0157983300000000, 0.0073988800000000 ] - [ 0.0000000000000000, -0.0008489300000000, 0.0007819200000000 ] - [ 0.0000000000000000, 0.0007301200000000, 0.0022600300000000 ] - [ 0.0000000000000000, -0.0005299800000000, 0.0009954200000000 ] - [ 0.0005140300000000, 0.0001048400000000, 0.0009535200000000 ] - [ 0.0008372800000000, 0.0001493000000000, 0.0006833100000000 ] - [ 0.0001069200000000, -0.0001869600000000, 0.0024581400000000 ] - [ -0.0001395100000000, -0.0002126200000000, 0.0016579300000000 ] - [ 0.0000000000000000, 0.0004404500000000, 0.0014253500000000 ] - [ 0.0000000000000000, 0.0003917300000000, 0.0009506500000000 ] - [ 0.0004334000000000, 0.0000423200000000, 0.0010897400000000 ] - [ 0.0004625500000000, 0.0000483200000000, 0.0006627600000000 ] - [ -0.0008372800000000, 0.0001493000000000, 0.0006833100000000 ] - [ -0.0005140300000000, 0.0001048400000000, 0.0009535200000000 ] - [ 0.0001395100000000, -0.0002126200000000, 0.0016579300000000 ] - [ -0.0001069200000000, -0.0001869600000000, 0.0024581400000000 ] - [ -0.0004625500000000, 0.0000483200000000, 0.0006627600000000 ] - [ -0.0004334000000000, 0.0000423200000000, 0.0010897400000000 ] - [ 0.0000000000000000, -0.0010680700000000, 0.0021842300000000 ] - [ 0.0000000000000000, -0.0009529300000000, 0.0010021100000000 ] - [ 0.0000000000000000, 0.0001907600000000, 0.0009319000000000 ] - [ 0.0000000000000000, 0.0001254800000000, 0.0004839800000000 ] - [ -0.0005744900000000, -0.0010652200000000, -0.0012913600000000 ] - [ 0.0005744900000000, -0.0010652200000000, -0.0012913600000000 ] - [ 0.0009285300000000, 0.0021768400000000, 0.0004827100000000 ] - [ -0.0009285300000000, 0.0021768400000000, 0.0004827100000000 ] - [ 0.0011854200000000, 0.0000116200000000, -0.0047663000000000 ] - [ -0.0000933900000000, 0.0009556400000000, -0.0078089500000000 ] - [ 0.0025949100000000, -0.0001541400000000, -0.0009186800000000 ] - [ -0.0055597000000000, 0.0037297100000000, -0.0064112600000000 ] - [ 0.0000933900000000, 0.0009556400000000, -0.0078089500000000 ] - [ -0.0011854200000000, 0.0000116200000000, -0.0047663000000000 ] - [ -0.0005352800000000, -0.0001371100000000, 0.0003976500000000 ] - [ 0.0090776700000000, -0.0051868200000000, 0.0011631400000000 ] - [ -0.0008773100000000, -0.0008233000000000, -0.0059154300000000 ] - [ 0.0008773100000000, -0.0008233000000000, -0.0059154300000000 ] - [ 0.0055597000000000, 0.0037297100000000, -0.0064112600000000 ] - [ -0.0025949100000000, -0.0001541400000000, -0.0009186800000000 ] - [ -0.0090776700000000, -0.0051868200000000, 0.0011631400000000 ] - [ 0.0005352800000000, -0.0001371100000000, 0.0003976500000000 ] - [ -0.0009066700000000, 0.0010333900000000, 0.0018254000000000 ] - [ 0.0009066700000000, 0.0010333900000000, 0.0018254000000000 ] - [ 0.0004261300000000, -0.0011882100000000, 0.0015079300000000 ] - [ -0.0004261300000000, -0.0011882100000000, 0.0015079300000000 ] - [ 0.0003914800000000, 0.0001191000000000, 0.0002907200000000 ] - [ 0.0008013100000000, 0.0002575300000000, 0.0006580800000000 ] - [ 0.0002299000000000, -0.0000651300000000, 0.0013605900000000 ] - [ -0.0001546900000000, -0.0001647000000000, 0.0015990700000000 ] - [ -0.0000032600000000, 0.0004521500000000, 0.0010103800000000 ] - [ 0.0000032600000000, 0.0004521500000000, 0.0010103800000000 ] - [ 0.0004567500000000, 0.0000763600000000, 0.0005974900000000 ] - [ 0.0004515000000000, 0.0000965600000000, 0.0006713000000000 ] - [ -0.0008013100000000, 0.0002575300000000, 0.0006580800000000 ] - [ -0.0003914800000000, 0.0001191000000000, 0.0002907200000000 ] - [ 0.0001546900000000, -0.0001647000000000, 0.0015990700000000 ] - [ -0.0002299000000000, -0.0000651300000000, 0.0013605900000000 ] - [ -0.0004515000000000, 0.0000965600000000, 0.0006713000000000 ] - [ -0.0004567500000000, 0.0000763600000000, 0.0005974900000000 ] - [ -0.0000784800000000, -0.0012368700000000, 0.0011935700000000 ] - [ 0.0000784800000000, -0.0012368700000000, 0.0011935700000000 ] - [ 0.0000595700000000, 0.0005881500000000, 0.0009391900000000 ] - [ -0.0000595700000000, 0.0005881500000000, 0.0009391900000000 ] - [ 0.0000000000000000, 0.0040535000000000, -0.0094513700000000 ] - [ 0.0000000000000000, 0.0004657600000000, -0.0008249400000000 ] - [ 0.0000000000000000, -0.0087545000000000, 0.0000636000000000 ] - [ 0.0000000000000000, -0.0000460900000000, -0.0002680100000000 ] - [ 0.0004088300000000, 0.0006816100000000, -0.0065555600000000 ] - [ 0.0005077900000000, 0.0000124600000000, -0.0019703100000000 ] - [ 0.0007760400000000, 0.0002959100000000, -0.0013207700000000 ] - [ -0.0000816600000000, 0.0003663900000000, -0.0009135500000000 ] - [ -0.0005077900000000, 0.0000124600000000, -0.0019703100000000 ] - [ -0.0004088300000000, 0.0006816100000000, -0.0065555600000000 ] - [ -0.0009750500000000, 0.0017741200000000, 0.0009832300000000 ] - [ 0.0012570500000000, 0.0001288300000000, 0.0002244500000000 ] - [ 0.0000000000000000, 0.0010357400000000, -0.0046401700000000 ] - [ 0.0000000000000000, -0.0001451200000000, -0.0010432100000000 ] - [ 0.0000816600000000, 0.0003663900000000, -0.0009135500000000 ] - [ -0.0007760400000000, 0.0002959100000000, -0.0013207700000000 ] - [ -0.0012570500000000, 0.0001288300000000, 0.0002244500000000 ] - [ 0.0009750500000000, 0.0017741200000000, 0.0009832300000000 ] - [ 0.0000000000000000, 0.0006707200000000, 0.0016928500000000 ] - [ 0.0000000000000000, 0.0008357000000000, 0.0007741900000000 ]- atom: 3 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0041663300000000, -0.0001477100000000, -0.0003958900000000 ] - [ 0.0018957800000000, -0.0001472000000000, -0.0004089000000000 ] - [ -0.0645599700000000, -0.0000890200000000, 0.0006772800000000 ] - [ 0.0029907900000000, 0.0001610500000000, 0.0002991000000000 ] - [ 0.0038788600000000, -0.0048720800000000, -0.0037274100000000 ] - [ 0.0038611200000000, 0.0045331000000000, 0.0048813700000000 ] - [ -0.0008682700000000, 0.0009679500000000, -0.0000758700000000 ] - [ 0.0008393200000000, 0.0009678600000000, -0.0000771200000000 ] - [ -0.0002436800000000, 0.0001471200000000, 0.0005906000000000 ] - [ 0.0002465800000000, 0.0001496700000000, 0.0005917200000000 ] - [ 0.0012368400000000, -0.0021030000000000, 0.0027155800000000 ] - [ 0.0012442100000000, 0.0001611800000000, -0.0028514400000000 ] - [ -0.0003545700000000, 0.0000118200000000, -0.0008991700000000 ] - [ 0.0003757100000000, 0.0000118000000000, -0.0008985400000000 ] - [ -0.0000107600000000, -0.0002229800000000, -0.0000062300000000 ] - [ -0.0000093000000000, -0.0001016800000000, 0.0005986400000000 ] - [ 0.0001982900000000, 0.0000422200000000, 0.0004029000000000 ] - [ 0.0002084200000000, 0.0002476300000000, -0.0012164800000000 ] - [ 0.0123608800000000, 0.0087158400000000, 0.0052797300000000 ] - [ 0.0122516400000000, -0.0086235000000000, -0.0069949600000000 ] - [ -0.0000105500000000, 0.0004720900000000, -0.0007154200000000 ] - [ -0.0000059800000000, -0.0007644100000000, -0.0000969700000000 ] - [ -0.0000104600000000, -0.0000192400000000, 0.0000637500000000 ] - [ -0.0000033700000000, 0.0003432100000000, 0.0005343900000000 ] - [ -0.0038629200000000, -0.0001626700000000, 0.0006120000000000 ] - [ 0.0020791100000000, -0.0001470500000000, 0.0005902100000000 ] - [ -0.0000050800000000, 0.0006275600000000, -0.0004646200000000 ] - [ -0.0000028200000000, 0.0013065500000000, 0.0003112400000000 ] - [ 0.0000039500000000, 0.0002118000000000, 0.0006973300000000 ] - [ 0.0000073500000000, 0.0000869800000000, 0.0004859400000000 ] - [ -0.0015637200000000, -0.0009788400000000, -0.0000883800000000 ] - [ 0.0010811200000000, -0.0009653400000000, -0.0000724400000000 ] - [ 0.0000001000000000, 0.0001714200000000, -0.0010730300000000 ] - [ 0.0000003700000000, -0.0001477400000000, -0.0007248700000000 ] - [ -0.0001788600000000, -0.0001616400000000, 0.0002966700000000 ] - [ 0.0001756000000000, -0.0001623300000000, 0.0002963800000000 ] - [ -0.0004812100000000, 0.0001497300000000, -0.0004087300000000 ] - [ 0.0005089200000000, 0.0001445100000000, -0.0004053500000000 ] - [ -0.0036398300000000, 0.0000118300000000, -0.0009001400000000 ] - [ 0.0018576600000000, -0.0000134100000000, -0.0008956300000000 ] - [ -0.0005556700000000, 0.0003251200000000, 0.0006426800000000 ] - [ 0.0005661500000000, 0.0003260900000000, 0.0006549800000000 ] - [ -0.0144032000000000, 0.0004672600000000, -0.0018771200000000 ] - [ 0.0028937600000000, 0.0004639600000000, -0.0017989800000000 ] - [ 0.0111223400000000, 0.0080278100000000, -0.0084120100000000 ] - [ 0.0111045600000000, -0.0086523400000000, 0.0096796700000000 ] - [ 0.0001581400000000, -0.0002777900000000, -0.0047505100000000 ] - [ 0.0001629600000000, -0.0006543100000000, 0.0011349200000000 ] - [ 0.0000249700000000, 0.0003497400000000, 0.0012504300000000 ] - [ 0.0000293300000000, 0.0003021400000000, 0.0000530600000000 ] - [ -0.0000360200000000, 0.0018971800000000, -0.0006964000000000 ] - [ -0.0000248400000000, -0.0009519600000000, -0.0029101300000000 ] - [ -0.0025092000000000, -0.0003098300000000, 0.0006660900000000 ] - [ 0.0024785500000000, -0.0003284100000000, 0.0006516500000000 ] - [ -0.0010077700000000, -0.0004666100000000, -0.0018036900000000 ] - [ 0.0010360700000000, -0.0004667200000000, -0.0018085000000000 ] - [ 0.0057753100000000, -0.0008469800000000, 0.0006361000000000 ] - [ -0.0027632600000000, -0.0008060600000000, 0.0006386000000000 ] - [ 0.0006066900000000, 0.0000465700000000, -0.0001563800000000 ] - [ 0.0000480600000000, -0.0002017400000000, -0.0002768700000000 ] - [ 0.0087363000000000, 0.0017646100000000, 0.0003035500000000 ] - [ -0.0020204000000000, -0.0007165900000000, 0.0022891600000000 ] - [ 0.0007733500000000, 0.0003411800000000, 0.0001310100000000 ] - [ -0.0003279600000000, 0.0003385200000000, 0.0001241300000000 ] - [ 0.0013102900000000, -0.0000461200000000, -0.0003528600000000 ] - [ -0.0000336900000000, 0.0001656800000000, -0.0001935400000000 ] - [ -0.0005849600000000, 0.0000382800000000, -0.0002034000000000 ] - [ -0.0000337400000000, -0.0002041400000000, -0.0003174400000000 ] - [ -0.0027570000000000, 0.0007899600000000, -0.0006906900000000 ] - [ 0.0079110700000000, -0.0016871100000000, 0.0014917200000000 ] - [ -0.0010302400000000, -0.0001170700000000, -0.0004071600000000 ] - [ 0.0003066700000000, 0.0000906300000000, -0.0002360800000000 ] - [ 0.0000935400000000, -0.0007683400000000, 0.0003933500000000 ] - [ -0.0000847100000000, -0.0007651600000000, 0.0003896900000000 ] - [ 0.0020411400000000, -0.0000152600000000, -0.0000298300000000 ] - [ -0.0007032100000000, -0.0000081600000000, -0.0000459700000000 ] - [ -0.0000708600000000, -0.0007501600000000, 0.0007417100000000 ] - [ -0.0000719600000000, 0.0007666800000000, -0.0008295900000000 ] - [ -0.0008574800000000, -0.0014649300000000, 0.0005202300000000 ] - [ -0.0008579100000000, 0.0029979300000000, 0.0002647400000000 ] - [ -0.0015995200000000, -0.0010700900000000, 0.0021579300000000 ] - [ 0.0013981100000000, 0.0012102900000000, -0.0030392700000000 ] - [ -0.0036701300000000, 0.0006532600000000, -0.0002725400000000 ] - [ 0.0108371800000000, -0.0005720500000000, 0.0122833600000000 ] - [ 0.0004025700000000, -0.0012578000000000, 0.0024414700000000 ] - [ -0.0025970500000000, 0.0010196800000000, -0.0027501500000000 ] - [ -0.0004779100000000, 0.0001709900000000, 0.0016244100000000 ] - [ 0.0011470900000000, -0.0002639100000000, 0.0000825200000000 ] - [ -0.0004790200000000, -0.0002310300000000, 0.0022369000000000 ] - [ -0.0004819400000000, -0.0004518900000000, -0.0019811700000000 ] - [ 0.0105043400000000, 0.0008823400000000, -0.0133559300000000 ] - [ -0.0043072600000000, -0.0005021300000000, -0.0001966500000000 ] - [ 0.0004195900000000, 0.0001968900000000, 0.0015306100000000 ] - [ -0.0012077900000000, -0.0002383000000000, -0.0000111500000000 ] - [ 0.0000015800000000, 0.0008531900000000, 0.0007734400000000 ] - [ 0.0000008600000000, 0.0007544300000000, 0.0005059400000000 ] - [ -0.0022715400000000, 0.0028758100000000, -0.0001195700000000 ] - [ -0.0022805100000000, -0.0044641500000000, 0.0013884300000000 ] - [ 0.0001299100000000, -0.0001992700000000, -0.0003894900000000 ] - [ 0.0005011700000000, 0.0000376200000000, -0.0000811300000000 ] - [ -0.0002152100000000, 0.0000100700000000, 0.0006970900000000 ] - [ 0.0009936400000000, 0.0000916500000000, 0.0008508900000000 ] - [ 0.0000104700000000, 0.0003834700000000, -0.0004871500000000 ] - [ 0.0000083100000000, 0.0002952500000000, 0.0007354300000000 ] - [ 0.0002366000000000, 0.0000021200000000, -0.0006790000000000 ] - [ 0.0007653000000000, 0.0000691700000000, 0.0001206100000000 ] - [ -0.0001358100000000, -0.0001982600000000, -0.0003958800000000 ] - [ -0.0005110700000000, 0.0000405500000000, -0.0000875000000000 ] - [ 0.0002751300000000, -0.0000246600000000, 0.0007634800000000 ] - [ -0.0009484800000000, 0.0000581500000000, 0.0009103800000000 ] - [ -0.0002308100000000, -0.0000209600000000, -0.0007195500000000 ] - [ -0.0007675000000000, 0.0000432800000000, 0.0000773900000000 ] - [ 0.0000002500000000, -0.0006741700000000, 0.0002870700000000 ] - [ -0.0000002700000000, -0.0008606800000000, 0.0004970700000000 ] - [ 0.0000366400000000, -0.0021338100000000, -0.0024558500000000 ] - [ 0.0000300100000000, 0.0021011800000000, 0.0023463900000000 ] - [ 0.0001813000000000, 0.0000100700000000, -0.0000447400000000 ] - [ -0.0002230000000000, 0.0000087600000000, -0.0000431400000000 ] - [ 0.0022655500000000, 0.0007958500000000, 0.0004234800000000 ] - [ -0.0012159800000000, 0.0007688300000000, 0.0003909800000000 ] - [ 0.0014902900000000, 0.0004259000000000, 0.0000383100000000 ] - [ -0.0006270400000000, -0.0004593500000000, -0.0006846500000000 ] - [ 0.0015207600000000, -0.0001882300000000, 0.0002544700000000 ] - [ -0.0008827300000000, 0.0003690700000000, -0.0007669000000000 ] - [ -0.0016313200000000, 0.0004160300000000, 0.0000900400000000 ] - [ 0.0004807400000000, -0.0004693900000000, -0.0006419600000000 ] - [ 0.0007083700000000, -0.0000927500000000, 0.0007512700000000 ] - [ 0.0000113200000000, 0.0000312500000000, 0.0008663900000000 ] - [ 0.0004888400000000, -0.0003392000000000, 0.0001248500000000 ] - [ -0.0004723300000000, -0.0003393700000000, 0.0001262600000000 ] - [ -0.0015186800000000, -0.0002069900000000, 0.0002868300000000 ] - [ 0.0008733800000000, 0.0003454000000000, -0.0007329800000000 ] - [ -0.0007158500000000, -0.0000984600000000, 0.0007471200000000 ] - [ -0.0000230500000000, 0.0000238800000000, 0.0008586300000000 ] - [ 0.0001540200000000, 0.0008019700000000, 0.0006396600000000 ] - [ -0.0001516400000000, 0.0008038900000000, 0.0006397400000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0030737700000000, 0.0000482400000000 ] - [ 0.0000000000000000, -0.0007597400000000, -0.0006130500000000 ] - [ 0.0000000000000000, -0.0635335500000000, 0.0023861300000000 ] - [ 0.0000000000000000, -0.0014230800000000, 0.0001014500000000 ] - [ -0.0045796100000000, -0.0006152000000000, 0.0037875200000000 ] - [ 0.0045796100000000, -0.0006152000000000, 0.0037875200000000 ] - [ 0.0000000000000000, 0.0014951900000000, -0.0003866200000000 ] - [ 0.0000000000000000, 0.0012474200000000, -0.0002116800000000 ] - [ 0.0000000000000000, 0.0000786500000000, 0.0009489800000000 ] - [ 0.0000000000000000, 0.0001377400000000, 0.0007414100000000 ] - [ -0.0014460900000000, -0.0012105900000000, -0.0023796200000000 ] - [ 0.0014460900000000, -0.0012105900000000, -0.0023796200000000 ] - [ 0.0000000000000000, -0.0002164300000000, -0.0007364300000000 ] - [ 0.0000000000000000, -0.0001264100000000, -0.0008385700000000 ] - [ -0.0000608400000000, -0.0002400200000000, 0.0003099900000000 ] - [ 0.0000608400000000, -0.0002400200000000, 0.0003099900000000 ] - [ -0.0000332900000000, -0.0002425700000000, 0.0000428000000000 ] - [ 0.0000332900000000, -0.0002425700000000, 0.0000428000000000 ] - [ 0.0105503900000000, -0.0001091000000000, 0.0027549500000000 ] - [ -0.0105503900000000, -0.0001091000000000, 0.0027549500000000 ] - [ -0.0004433100000000, 0.0009666200000000, -0.0002010400000000 ] - [ 0.0004433100000000, 0.0009666200000000, -0.0002010400000000 ] - [ 0.0001878300000000, 0.0036088400000000, -0.0001233900000000 ] - [ -0.0001878300000000, 0.0036088400000000, -0.0001233900000000 ] - [ 0.0000000000000000, 0.0106293300000000, -0.0104879200000000 ] - [ 0.0000000000000000, 0.0006260300000000, 0.0001354900000000 ] - [ -0.0003146200000000, 0.0005105900000000, 0.0003581600000000 ] - [ 0.0003146200000000, 0.0005105900000000, 0.0003581600000000 ] - [ -0.0001001700000000, 0.0002099300000000, 0.0006392700000000 ] - [ 0.0001001700000000, 0.0002099300000000, 0.0006392700000000 ] - [ 0.0000000000000000, 0.0029058900000000, 0.0079528900000000 ] - [ 0.0000000000000000, -0.0005746800000000, 0.0004800200000000 ] - [ -0.0001178400000000, 0.0002292800000000, -0.0006529300000000 ] - [ 0.0001178400000000, 0.0002292800000000, -0.0006529300000000 ] - [ 0.0000000000000000, -0.0000870700000000, 0.0007378800000000 ] - [ 0.0000000000000000, -0.0001332500000000, 0.0005602400000000 ] - [ 0.0000000000000000, 0.0010371600000000, -0.0009843200000000 ] - [ 0.0000000000000000, 0.0002596100000000, -0.0004971300000000 ] - [ 0.0000000000000000, 0.0155595200000000, -0.0079262400000000 ] - [ 0.0000000000000000, 0.0004329800000000, -0.0017307400000000 ] - [ 0.0000000000000000, -0.0002192800000000, 0.0004867500000000 ] - [ 0.0000000000000000, 0.0001743900000000, 0.0008740100000000 ] - [ 0.0000000000000000, -0.0085787000000000, -0.0053541300000000 ] - [ 0.0000000000000000, -0.0008307900000000, -0.0010588500000000 ] - [ 0.0032520300000000, -0.0007624500000000, -0.0021387500000000 ] - [ -0.0032520300000000, -0.0007624500000000, -0.0021387500000000 ] - [ 0.0002592500000000, -0.0007442100000000, -0.0029451500000000 ] - [ -0.0002592500000000, -0.0007442100000000, -0.0029451500000000 ] - [ 0.0001671300000000, 0.0007954500000000, 0.0012160500000000 ] - [ -0.0001671300000000, 0.0007954500000000, 0.0012160500000000 ] - [ 0.0004718500000000, 0.0031600800000000, -0.0016467400000000 ] - [ -0.0004718500000000, 0.0031600800000000, -0.0016467400000000 ] - [ 0.0000000000000000, 0.0144123900000000, 0.0102491800000000 ] - [ 0.0000000000000000, 0.0003252500000000, 0.0008006400000000 ] - [ 0.0000000000000000, 0.0000139000000000, 0.0011139500000000 ] - [ 0.0000000000000000, -0.0003689200000000, -0.0011537600000000 ] - [ 0.0000000000000000, 0.0203437100000000, 0.0017896400000000 ] - [ 0.0000000000000000, -0.0011359300000000, 0.0009053300000000 ] - [ 0.0004359600000000, 0.0001039200000000, -0.0001979200000000 ] - [ 0.0003055700000000, -0.0000434600000000, -0.0003278600000000 ] - [ 0.0013495200000000, 0.0043715200000000, 0.0023679300000000 ] - [ 0.0010136200000000, 0.0012296300000000, -0.0001767000000000 ] - [ 0.0000000000000000, 0.0021617600000000, 0.0002278900000000 ] - [ 0.0000000000000000, 0.0004810500000000, -0.0000688100000000 ] - [ 0.0004906600000000, 0.0006091300000000, 0.0000490100000000 ] - [ 0.0002892100000000, 0.0002675300000000, -0.0004196100000000 ] - [ -0.0003055700000000, -0.0000434600000000, -0.0003278600000000 ] - [ -0.0004359600000000, 0.0001039200000000, -0.0001979200000000 ] - [ -0.0010136200000000, 0.0012296300000000, -0.0001767000000000 ] - [ -0.0013495200000000, 0.0043715200000000, 0.0023679300000000 ] - [ -0.0002892100000000, 0.0002675300000000, -0.0004196100000000 ] - [ -0.0004906600000000, 0.0006091300000000, 0.0000490100000000 ] - [ 0.0000000000000000, -0.0006530300000000, 0.0003517500000000 ] - [ 0.0000000000000000, -0.0007071300000000, 0.0002986700000000 ] - [ 0.0000000000000000, 0.0017355200000000, 0.0057562600000000 ] - [ 0.0000000000000000, 0.0008188300000000, 0.0004771200000000 ] - [ -0.0000017700000000, -0.0004055500000000, 0.0001363600000000 ] - [ 0.0000017700000000, -0.0004055500000000, 0.0001363600000000 ] - [ -0.0013525400000000, 0.0007402500000000, 0.0019881400000000 ] - [ 0.0013525400000000, 0.0007402500000000, 0.0019881400000000 ] - [ 0.0001195000000000, -0.0001683600000000, 0.0003055400000000 ] - [ 0.0012820500000000, 0.0004184800000000, 0.0011035800000000 ] - [ -0.0004421600000000, 0.0011929800000000, -0.0000824000000000 ] - [ -0.0049604700000000, 0.0051350600000000, -0.0071542900000000 ] - [ -0.0012820500000000, 0.0004184800000000, 0.0011035800000000 ] - [ -0.0001195000000000, -0.0001683600000000, 0.0003055400000000 ] - [ 0.0001440300000000, 0.0000915300000000, 0.0010489600000000 ] - [ 0.0001073600000000, 0.0001205500000000, 0.0010661700000000 ] - [ -0.0000714800000000, 0.0004223300000000, 0.0005540600000000 ] - [ 0.0000714800000000, 0.0004223300000000, 0.0005540600000000 ] - [ 0.0049604700000000, 0.0051350600000000, -0.0071542900000000 ] - [ 0.0004421600000000, 0.0011929800000000, -0.0000824000000000 ] - [ -0.0001073600000000, 0.0001205500000000, 0.0010661700000000 ] - [ -0.0001440300000000, 0.0000915300000000, 0.0010489600000000 ] - [ 0.0000472800000000, 0.0009402500000000, 0.0004140400000000 ] - [ -0.0000472800000000, 0.0009402500000000, 0.0004140400000000 ] - [ 0.0040564900000000, -0.0036602000000000, 0.0013965100000000 ] - [ -0.0040564900000000, -0.0036602000000000, 0.0013965100000000 ] - [ 0.0001794900000000, -0.0002729300000000, -0.0003997000000000 ] - [ 0.0000732500000000, -0.0003004900000000, -0.0004247600000000 ] - [ -0.0000032500000000, -0.0007557100000000, 0.0015279000000000 ] - [ -0.0002198300000000, -0.0022246800000000, 0.0018599400000000 ] - [ 0.0000207100000000, -0.0002894500000000, -0.0000214800000000 ] - [ -0.0000207100000000, -0.0002894500000000, -0.0000214800000000 ] - [ 0.0004752000000000, -0.0002541800000000, -0.0004941100000000 ] - [ 0.0011943000000000, -0.0006359400000000, -0.0009945600000000 ] - [ -0.0000732500000000, -0.0003004900000000, -0.0004247600000000 ] - [ -0.0001794900000000, -0.0002729300000000, -0.0003997000000000 ] - [ 0.0002198300000000, -0.0022246800000000, 0.0018599400000000 ] - [ 0.0000032500000000, -0.0007557100000000, 0.0015279000000000 ] - [ -0.0011943000000000, -0.0006359400000000, -0.0009945600000000 ] - [ -0.0004752000000000, -0.0002541800000000, -0.0004941100000000 ] - [ -0.0000051600000000, -0.0007132100000000, 0.0001925400000000 ] - [ 0.0000051600000000, -0.0007132100000000, 0.0001925400000000 ] - [ -0.0007166700000000, -0.0019107300000000, -0.0017891500000000 ] - [ 0.0007166700000000, -0.0019107300000000, -0.0017891500000000 ] - [ 0.0000000000000000, 0.0006716600000000, -0.0006685200000000 ] - [ 0.0000000000000000, 0.0003079300000000, -0.0001832300000000 ] - [ 0.0000000000000000, -0.0000477600000000, -0.0008866500000000 ] - [ 0.0000000000000000, 0.0008227400000000, 0.0001836100000000 ] - [ 0.0016435800000000, -0.0001920600000000, -0.0028527100000000 ] - [ 0.0000873400000000, -0.0002117600000000, -0.0007090200000000 ] - [ 0.0025309100000000, -0.0043530900000000, 0.0008387700000000 ] - [ 0.0002244800000000, -0.0005191600000000, -0.0001956100000000 ] - [ -0.0000873400000000, -0.0002117600000000, -0.0007090200000000 ] - [ -0.0016435800000000, -0.0001920600000000, -0.0028527100000000 ] - [ 0.0009419500000000, -0.0003272600000000, -0.0000106500000000 ] - [ 0.0004001300000000, -0.0001273000000000, 0.0005678200000000 ] - [ 0.0000000000000000, -0.0025136600000000, -0.0012989000000000 ] - [ 0.0000000000000000, -0.0007173300000000, -0.0000027200000000 ] - [ -0.0002244800000000, -0.0005191600000000, -0.0001956100000000 ] - [ -0.0025309100000000, -0.0043530900000000, 0.0008387700000000 ] - [ -0.0004001300000000, -0.0001273000000000, 0.0005678200000000 ] - [ -0.0009419500000000, -0.0003272600000000, -0.0000106500000000 ] - [ 0.0000000000000000, 0.0006357300000000, 0.0005170800000000 ] - [ 0.0000000000000000, 0.0007176100000000, 0.0005879800000000 ]- atom: 3 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0027904800000000, -0.0008255900000000 ] - [ 0.0000000000000000, 0.0004673500000000, -0.0002000000000000 ] - [ 0.0000000000000000, 0.0631429700000000, -0.0015983200000000 ] - [ 0.0000000000000000, 0.0017441300000000, 0.0004874600000000 ] - [ 0.0045947500000000, 0.0003542200000000, -0.0026045000000000 ] - [ -0.0045947500000000, 0.0003542200000000, -0.0026045000000000 ] - [ 0.0000000000000000, 0.0004319700000000, 0.0002318300000000 ] - [ 0.0000000000000000, 0.0006803300000000, 0.0000591000000000 ] - [ 0.0000000000000000, 0.0002110800000000, 0.0002404100000000 ] - [ 0.0000000000000000, 0.0001566800000000, 0.0004482700000000 ] - [ 0.0014391200000000, -0.0007063600000000, 0.0022277500000000 ] - [ -0.0014391200000000, -0.0007063600000000, 0.0022277500000000 ] - [ 0.0000000000000000, 0.0002446500000000, -0.0010589200000000 ] - [ 0.0000000000000000, 0.0001538800000000, -0.0009540500000000 ] - [ 0.0000603500000000, -0.0000801600000000, 0.0002888000000000 ] - [ -0.0000603500000000, -0.0000801600000000, 0.0002888000000000 ] - [ 0.0000274900000000, 0.0005337100000000, -0.0008600700000000 ] - [ -0.0000274900000000, 0.0005337100000000, -0.0008600700000000 ] - [ -0.0105150100000000, 0.0000191100000000, -0.0045402900000000 ] - [ 0.0105150100000000, 0.0000191100000000, -0.0045402900000000 ] - [ 0.0004503000000000, -0.0012699900000000, -0.0006206300000000 ] - [ -0.0004503000000000, -0.0012699900000000, -0.0006206300000000 ] - [ -0.0001750100000000, -0.0032914600000000, 0.0007238100000000 ] - [ 0.0001750100000000, -0.0032914600000000, 0.0007238100000000 ] - [ 0.0000000000000000, -0.0108369900000000, 0.0115392100000000 ] - [ 0.0000000000000000, -0.0009270300000000, 0.0010498800000000 ] - [ 0.0003159300000000, 0.0014248300000000, -0.0005150900000000 ] - [ -0.0003159300000000, 0.0014248300000000, -0.0005150900000000 ] - [ 0.0000977900000000, 0.0000875300000000, 0.0005503300000000 ] - [ -0.0000977900000000, 0.0000875300000000, 0.0005503300000000 ] - [ 0.0000000000000000, -0.0048065700000000, -0.0080151700000000 ] - [ 0.0000000000000000, -0.0013586100000000, -0.0006365300000000 ] - [ 0.0001199000000000, -0.0002049700000000, -0.0011413600000000 ] - [ -0.0001199000000000, -0.0002049700000000, -0.0011413600000000 ] - [ 0.0000000000000000, -0.0002297100000000, -0.0001420900000000 ] - [ 0.0000000000000000, -0.0001850700000000, 0.0000382200000000 ] - [ 0.0000000000000000, -0.0007305600000000, 0.0001704700000000 ] - [ 0.0000000000000000, 0.0000378600000000, -0.0003169000000000 ] - [ 0.0000000000000000, -0.0157605200000000, 0.0062318100000000 ] - [ 0.0000000000000000, -0.0004595400000000, -0.0000618800000000 ] - [ 0.0000000000000000, 0.0008595100000000, 0.0008083800000000 ] - [ 0.0000000000000000, 0.0004720000000000, 0.0004384100000000 ] - [ 0.0000000000000000, 0.0095464400000000, 0.0015885400000000 ] - [ 0.0000000000000000, 0.0017679900000000, -0.0025573400000000 ] - [ -0.0033195000000000, 0.0000223100000000, 0.0034768300000000 ] - [ 0.0033195000000000, 0.0000223100000000, 0.0034768300000000 ] - [ -0.0002560000000000, -0.0001981700000000, -0.0006612300000000 ] - [ 0.0002560000000000, -0.0001981700000000, -0.0006612300000000 ] - [ -0.0001663600000000, -0.0001472400000000, 0.0001004200000000 ] - [ 0.0001663600000000, -0.0001472400000000, 0.0001004200000000 ] - [ -0.0004605700000000, -0.0022233900000000, -0.0019569400000000 ] - [ 0.0004605700000000, -0.0022233900000000, -0.0019569400000000 ] - [ 0.0000000000000000, -0.0151341600000000, -0.0090258000000000 ] - [ 0.0000000000000000, -0.0009684600000000, 0.0005042800000000 ] - [ 0.0000000000000000, -0.0009471800000000, -0.0047513400000000 ] - [ 0.0000000000000000, -0.0005656500000000, -0.0024663000000000 ] - [ 0.0000000000000000, -0.0203986800000000, -0.0002625300000000 ] - [ 0.0000000000000000, -0.0004720100000000, 0.0003747700000000 ] - [ 0.0002039900000000, -0.0002575200000000, -0.0002696700000000 ] - [ 0.0003288500000000, -0.0001156700000000, -0.0001446400000000 ] - [ -0.0006316400000000, -0.0043233500000000, -0.0007566700000000 ] - [ -0.0002864400000000, -0.0011597700000000, 0.0017796600000000 ] - [ 0.0000000000000000, -0.0014624000000000, 0.0000242600000000 ] - [ 0.0000000000000000, 0.0002014200000000, 0.0003171000000000 ] - [ 0.0005163600000000, -0.0005690000000000, -0.0006373500000000 ] - [ 0.0007119000000000, -0.0002225000000000, -0.0001809000000000 ] - [ -0.0003288500000000, -0.0001156700000000, -0.0001446400000000 ] - [ -0.0002039900000000, -0.0002575200000000, -0.0002696700000000 ] - [ 0.0002864400000000, -0.0011597700000000, 0.0017796600000000 ] - [ 0.0006316400000000, -0.0043233500000000, -0.0007566700000000 ] - [ -0.0007119000000000, -0.0002225000000000, -0.0001809000000000 ] - [ -0.0005163600000000, -0.0005690000000000, -0.0006373500000000 ] - [ 0.0000000000000000, -0.0008837800000000, 0.0004376700000000 ] - [ 0.0000000000000000, -0.0008243900000000, 0.0004838300000000 ] - [ 0.0000000000000000, -0.0017925800000000, -0.0058541500000000 ] - [ 0.0000000000000000, -0.0008398000000000, -0.0005730600000000 ] - [ 0.0000013100000000, 0.0004296400000000, -0.0002326900000000 ] - [ -0.0000013100000000, 0.0004296400000000, -0.0002326900000000 ] - [ 0.0013416100000000, 0.0008256400000000, -0.0011769500000000 ] - [ -0.0013416100000000, 0.0008256400000000, -0.0011769500000000 ] - [ 0.0008899700000000, 0.0001299700000000, -0.0009142000000000 ] - [ -0.0002659100000000, -0.0004460300000000, -0.0017078200000000 ] - [ 0.0010967800000000, -0.0010393600000000, -0.0003854800000000 ] - [ 0.0055610200000000, -0.0050214200000000, 0.0066593600000000 ] - [ 0.0002659100000000, -0.0004460300000000, -0.0017078200000000 ] - [ -0.0008899700000000, 0.0001299700000000, -0.0009142000000000 ] - [ 0.0005864600000000, -0.0001565500000000, 0.0005544500000000 ] - [ 0.0006241100000000, -0.0001852000000000, 0.0005372100000000 ] - [ 0.0000764600000000, -0.0011054100000000, -0.0003174800000000 ] - [ -0.0000764600000000, -0.0011054100000000, -0.0003174800000000 ] - [ -0.0055610200000000, -0.0050214200000000, 0.0066593600000000 ] - [ -0.0010967800000000, -0.0010393600000000, -0.0003854800000000 ] - [ -0.0006241100000000, -0.0001852000000000, 0.0005372100000000 ] - [ -0.0005864600000000, -0.0001565500000000, 0.0005544500000000 ] - [ -0.0000471400000000, 0.0006653000000000, 0.0008624500000000 ] - [ 0.0000471400000000, 0.0006653000000000, 0.0008624500000000 ] - [ -0.0040784000000000, 0.0020436000000000, -0.0001278400000000 ] - [ 0.0040784000000000, 0.0020436000000000, -0.0001278400000000 ] - [ 0.0004581700000000, 0.0001147600000000, -0.0000719900000000 ] - [ 0.0005640600000000, 0.0001422200000000, -0.0000466000000000 ] - [ 0.0007313000000000, 0.0008212600000000, 0.0000763400000000 ] - [ 0.0009664300000000, 0.0022939600000000, -0.0002683200000000 ] - [ -0.0000210900000000, 0.0009681700000000, 0.0002659600000000 ] - [ 0.0000210900000000, 0.0009681700000000, 0.0002659600000000 ] - [ 0.0005280800000000, 0.0002989300000000, -0.0001120100000000 ] - [ -0.0001843200000000, 0.0006785200000000, 0.0003857600000000 ] - [ -0.0005640600000000, 0.0001422200000000, -0.0000466000000000 ] - [ -0.0004581700000000, 0.0001147600000000, -0.0000719900000000 ] - [ -0.0009664300000000, 0.0022939600000000, -0.0002683200000000 ] - [ -0.0007313000000000, 0.0008212600000000, 0.0000763400000000 ] - [ 0.0001843200000000, 0.0006785200000000, 0.0003857600000000 ] - [ -0.0005280800000000, 0.0002989300000000, -0.0001120100000000 ] - [ 0.0000049600000000, -0.0008191200000000, 0.0005915400000000 ] - [ -0.0000049600000000, -0.0008191200000000, 0.0005915400000000 ] - [ 0.0007091500000000, 0.0018988300000000, 0.0016946200000000 ] - [ -0.0007091500000000, 0.0018988300000000, 0.0016946200000000 ] - [ 0.0000000000000000, -0.0006659000000000, 0.0005774700000000 ] - [ 0.0000000000000000, -0.0002942700000000, 0.0000904200000000 ] - [ 0.0000000000000000, 0.0011335400000000, 0.0013232300000000 ] - [ 0.0000000000000000, 0.0007083700000000, 0.0006029000000000 ] - [ -0.0006472800000000, 0.0001449800000000, 0.0022709800000000 ] - [ 0.0009182800000000, 0.0001670300000000, 0.0001096900000000 ] - [ -0.0019059800000000, 0.0045109000000000, -0.0013058700000000 ] - [ 0.0004171600000000, 0.0006766700000000, -0.0002718100000000 ] - [ -0.0009182800000000, 0.0001670300000000, 0.0001096900000000 ] - [ 0.0006472800000000, 0.0001449800000000, 0.0022709800000000 ] - [ -0.0002170600000000, 0.0002635400000000, 0.0016229200000000 ] - [ 0.0003280800000000, 0.0000626000000000, 0.0010406000000000 ] - [ 0.0000000000000000, 0.0018211900000000, 0.0015531000000000 ] - [ 0.0000000000000000, 0.0000365600000000, 0.0002517900000000 ] - [ -0.0004171600000000, 0.0006766700000000, -0.0002718100000000 ] - [ 0.0019059800000000, 0.0045109000000000, -0.0013058700000000 ] - [ -0.0003280800000000, 0.0000626000000000, 0.0010406000000000 ] - [ 0.0002170600000000, 0.0002635400000000, 0.0016229200000000 ] - [ 0.0000000000000000, 0.0009712000000000, 0.0007591800000000 ] - [ 0.0000000000000000, 0.0008931500000000, 0.0006858500000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0010740200000000, 0.0108866100000000 ] - [ 0.0000000000000000, 0.0007566600000000, 0.0005051700000000 ] - [ 0.0000000000000000, 0.0020306100000000, -0.0961810700000000 ] - [ 0.0000000000000000, -0.0000318800000000, -0.0042673200000000 ] - [ -0.0046034400000000, 0.0042882400000000, -0.0001334900000000 ] - [ 0.0046034400000000, 0.0042882400000000, -0.0001334900000000 ] - [ 0.0000000000000000, 0.0003667300000000, 0.0018191600000000 ] - [ 0.0000000000000000, 0.0003209900000000, 0.0014837900000000 ] - [ 0.0000000000000000, 0.0011434800000000, 0.0026238400000000 ] - [ 0.0000000000000000, 0.0003963800000000, 0.0018052100000000 ] - [ 0.0038839000000000, -0.0040643200000000, 0.0002724200000000 ] - [ -0.0038839000000000, -0.0040643200000000, 0.0002724200000000 ] - [ 0.0000000000000000, 0.0002738700000000, 0.0022601900000000 ] - [ 0.0000000000000000, 0.0003566100000000, 0.0013187700000000 ] - [ 0.0003034100000000, -0.0001704300000000, 0.0030019700000000 ] - [ -0.0003034100000000, -0.0001704300000000, 0.0030019700000000 ] - [ 0.0021469100000000, 0.0010744500000000, 0.0013841400000000 ] - [ -0.0021469100000000, 0.0010744500000000, 0.0013841400000000 ] - [ 0.0075879100000000, 0.0042375400000000, -0.0089187000000000 ] - [ -0.0075879100000000, 0.0042375400000000, -0.0089187000000000 ] - [ -0.0004928900000000, -0.0006425300000000, -0.0001082200000000 ] - [ 0.0004928900000000, -0.0006425300000000, -0.0001082200000000 ] - [ 0.0002322100000000, -0.0002643800000000, -0.0033309400000000 ] - [ -0.0002322100000000, -0.0002643800000000, -0.0033309400000000 ] - [ 0.0000000000000000, -0.0069218500000000, -0.0012935400000000 ] - [ 0.0000000000000000, -0.0009741900000000, -0.0011240200000000 ] - [ -0.0003477800000000, 0.0012063500000000, 0.0015579200000000 ] - [ 0.0003477800000000, 0.0012063500000000, 0.0015579200000000 ] - [ 0.0007268000000000, -0.0001081100000000, 0.0023531000000000 ] - [ -0.0007268000000000, -0.0001081100000000, 0.0023531000000000 ] - [ 0.0000000000000000, 0.0047122500000000, 0.0025126400000000 ] - [ 0.0000000000000000, -0.0008295600000000, -0.0007987500000000 ] - [ -0.0000256600000000, -0.0000124900000000, 0.0013231500000000 ] - [ 0.0000256600000000, -0.0000124900000000, 0.0013231500000000 ] - [ 0.0000000000000000, -0.0006012000000000, 0.0027164000000000 ] - [ 0.0000000000000000, -0.0004220700000000, 0.0022094100000000 ] - [ 0.0000000000000000, -0.0016933700000000, 0.0013788600000000 ] - [ 0.0000000000000000, -0.0000665400000000, 0.0000110900000000 ] - [ 0.0000000000000000, -0.0037702100000000, -0.0085217400000000 ] - [ 0.0000000000000000, 0.0000373800000000, -0.0032471500000000 ] - [ 0.0000000000000000, 0.0006901700000000, 0.0082505000000000 ] - [ 0.0000000000000000, 0.0006588800000000, 0.0029040300000000 ] - [ 0.0000000000000000, -0.0059180600000000, 0.0407148000000000 ] - [ 0.0000000000000000, 0.0001172400000000, -0.0013014500000000 ] - [ -0.0150691000000000, -0.0114305100000000, 0.0079443500000000 ] - [ 0.0150691000000000, -0.0114305100000000, 0.0079443500000000 ] - [ -0.0006899600000000, -0.0009625100000000, 0.0029809800000000 ] - [ 0.0006899600000000, -0.0009625100000000, 0.0029809800000000 ] - [ 0.0007921800000000, 0.0004690900000000, 0.0029467700000000 ] - [ -0.0007921800000000, 0.0004690900000000, 0.0029467700000000 ] - [ 0.0015268200000000, 0.0010555900000000, -0.0016452900000000 ] - [ -0.0015268200000000, 0.0010555900000000, -0.0016452900000000 ] - [ 0.0000000000000000, 0.0094734800000000, 0.0049073400000000 ] - [ 0.0000000000000000, 0.0004034400000000, -0.0005220700000000 ] - [ 0.0000000000000000, 0.0002712000000000, 0.0014547700000000 ] - [ 0.0000000000000000, -0.0003721200000000, -0.0002181700000000 ] - [ 0.0000000000000000, -0.0069346800000000, 0.0098276400000000 ] - [ 0.0000000000000000, -0.0007754700000000, 0.0032132200000000 ] - [ -0.0010945400000000, -0.0012094600000000, -0.0028354000000000 ] - [ 0.0001906700000000, -0.0003285000000000, -0.0014989200000000 ] - [ 0.0004569900000000, 0.0011394100000000, 0.0026009700000000 ] - [ 0.0020457700000000, -0.0000340000000000, 0.0015098800000000 ] - [ 0.0000000000000000, -0.0023603000000000, -0.0053203800000000 ] - [ 0.0000000000000000, 0.0001868100000000, -0.0003040700000000 ] - [ -0.0007842500000000, 0.0009228600000000, -0.0053551600000000 ] - [ 0.0010809000000000, -0.0000282200000000, -0.0011836900000000 ] - [ -0.0001906700000000, -0.0003285000000000, -0.0014989200000000 ] - [ 0.0010945400000000, -0.0012094600000000, -0.0028354000000000 ] - [ -0.0020457700000000, -0.0000340000000000, 0.0015098800000000 ] - [ -0.0004569900000000, 0.0011394100000000, 0.0026009700000000 ] - [ -0.0010809000000000, -0.0000282200000000, -0.0011836900000000 ] - [ 0.0007842500000000, 0.0009228600000000, -0.0053551600000000 ] - [ 0.0000000000000000, 0.0008671800000000, -0.0024626200000000 ] - [ 0.0000000000000000, -0.0003234600000000, -0.0009008700000000 ] - [ 0.0000000000000000, 0.0077439600000000, -0.0025218100000000 ] - [ 0.0000000000000000, 0.0005145400000000, 0.0006494500000000 ] - [ 0.0001618700000000, 0.0012333100000000, -0.0017367600000000 ] - [ -0.0001618700000000, 0.0012333100000000, -0.0017367600000000 ] - [ 0.0009697400000000, 0.0043943700000000, 0.0045959300000000 ] - [ -0.0009697400000000, 0.0043943700000000, 0.0045959300000000 ] - [ 0.0024949400000000, 0.0011427300000000, -0.0030611700000000 ] - [ 0.0001025100000000, 0.0016655800000000, -0.0032876900000000 ] - [ 0.0047711600000000, -0.0010468500000000, 0.0017764200000000 ] - [ 0.0064897300000000, 0.0011879600000000, 0.0157786400000000 ] - [ -0.0001025100000000, 0.0016655800000000, -0.0032876900000000 ] - [ -0.0024949400000000, 0.0011427300000000, -0.0030611700000000 ] - [ 0.0013210100000000, -0.0004585700000000, -0.0012135000000000 ] - [ 0.0008907900000000, -0.0003488000000000, -0.0012200300000000 ] - [ 0.0011315700000000, -0.0002277800000000, -0.0022596700000000 ] - [ -0.0011315700000000, -0.0002277800000000, -0.0022596700000000 ] - [ -0.0064897300000000, 0.0011879600000000, 0.0157786400000000 ] - [ -0.0047711600000000, -0.0010468500000000, 0.0017764200000000 ] - [ -0.0008907900000000, -0.0003488000000000, -0.0012200300000000 ] - [ -0.0013210100000000, -0.0004585700000000, -0.0012135000000000 ] - [ -0.0001149000000000, 0.0008014500000000, -0.0014147500000000 ] - [ 0.0001149000000000, 0.0008014500000000, -0.0014147500000000 ] - [ -0.0009018900000000, 0.0002160500000000, 0.0051144500000000 ] - [ 0.0009018900000000, 0.0002160500000000, 0.0051144500000000 ] - [ -0.0003064100000000, -0.0003049600000000, -0.0013193400000000 ] - [ 0.0003193100000000, -0.0000513500000000, -0.0015142300000000 ] - [ -0.0003468300000000, -0.0001859700000000, 0.0019271000000000 ] - [ 0.0013129700000000, -0.0001363700000000, 0.0012912400000000 ] - [ -0.0003993700000000, 0.0009428300000000, -0.0006526800000000 ] - [ 0.0003993700000000, 0.0009428300000000, -0.0006526800000000 ] - [ 0.0001448600000000, -0.0000450600000000, -0.0009128600000000 ] - [ 0.0013381300000000, -0.0004351100000000, -0.0011982900000000 ] - [ -0.0003193100000000, -0.0000513500000000, -0.0015142300000000 ] - [ 0.0003064100000000, -0.0003049600000000, -0.0013193400000000 ] - [ -0.0013129700000000, -0.0001363700000000, 0.0012912400000000 ] - [ 0.0003468300000000, -0.0001859700000000, 0.0019271000000000 ] - [ -0.0013381300000000, -0.0004351100000000, -0.0011982900000000 ] - [ -0.0001448600000000, -0.0000450600000000, -0.0009128600000000 ] - [ -0.0001660000000000, -0.0004771300000000, -0.0009318200000000 ] - [ 0.0001660000000000, -0.0004771300000000, -0.0009318200000000 ] - [ -0.0010081200000000, -0.0010852800000000, 0.0000903600000000 ] - [ 0.0010081200000000, -0.0010852800000000, 0.0000903600000000 ] - [ 0.0000000000000000, -0.0003128800000000, -0.0020730900000000 ] - [ 0.0000000000000000, -0.0000160900000000, -0.0010175900000000 ] - [ 0.0000000000000000, 0.0012887400000000, 0.0066090100000000 ] - [ 0.0000000000000000, 0.0003606500000000, 0.0015746200000000 ] - [ 0.0009683000000000, -0.0007595500000000, -0.0019364000000000 ] - [ -0.0001186000000000, -0.0004257800000000, -0.0006530000000000 ] - [ 0.0021986500000000, -0.0015367100000000, 0.0019133600000000 ] - [ 0.0004967000000000, 0.0000631300000000, 0.0009383800000000 ] - [ 0.0001186000000000, -0.0004257800000000, -0.0006530000000000 ] - [ -0.0009683000000000, -0.0007595500000000, -0.0019364000000000 ] - [ 0.0010502200000000, -0.0004516200000000, -0.0007282200000000 ] - [ 0.0005665300000000, -0.0002161900000000, -0.0001765300000000 ] - [ 0.0000000000000000, -0.0008289500000000, -0.0008741800000000 ] - [ 0.0000000000000000, -0.0000032400000000, -0.0000646600000000 ] - [ -0.0004967000000000, 0.0000631300000000, 0.0009383800000000 ] - [ -0.0021986500000000, -0.0015367100000000, 0.0019133600000000 ] - [ -0.0005665300000000, -0.0002161900000000, -0.0001765300000000 ] - [ -0.0010502200000000, -0.0004516200000000, -0.0007282200000000 ] - [ 0.0000000000000000, 0.0009060300000000, -0.0016011600000000 ] - [ 0.0000000000000000, 0.0010199800000000, -0.0011703100000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0013791500000000, -0.0118422800000000 ] - [ 0.0000000000000000, -0.0010520200000000, -0.0013186400000000 ] - [ 0.0000000000000000, -0.0019610300000000, 0.0971072300000000 ] - [ 0.0000000000000000, 0.0003571700000000, 0.0048646400000000 ] - [ 0.0046119400000000, -0.0045962500000000, 0.0013486900000000 ] - [ -0.0046119400000000, -0.0045962500000000, 0.0013486900000000 ] - [ 0.0000000000000000, 0.0015697600000000, -0.0019707100000000 ] - [ 0.0000000000000000, 0.0016135500000000, -0.0016350700000000 ] - [ 0.0000000000000000, -0.0008404100000000, -0.0014334300000000 ] - [ 0.0000000000000000, -0.0000955500000000, -0.0006191800000000 ] - [ -0.0038627200000000, 0.0021065200000000, -0.0004355400000000 ] - [ 0.0038627200000000, 0.0021065200000000, -0.0004355400000000 ] - [ 0.0000000000000000, -0.0002467500000000, -0.0040494200000000 ] - [ 0.0000000000000000, -0.0003304000000000, -0.0031098500000000 ] - [ -0.0003010100000000, -0.0001523800000000, -0.0024023900000000 ] - [ 0.0003010100000000, -0.0001523800000000, -0.0024023900000000 ] - [ -0.0021383700000000, -0.0007724100000000, -0.0021968100000000 ] - [ 0.0021383700000000, -0.0007724100000000, -0.0021968100000000 ] - [ -0.0076395300000000, -0.0042731300000000, 0.0070513700000000 ] - [ 0.0076395300000000, -0.0042731300000000, 0.0070513700000000 ] - [ 0.0004923500000000, 0.0003478300000000, -0.0007018500000000 ] - [ -0.0004923500000000, 0.0003478300000000, -0.0007018500000000 ] - [ -0.0002390000000000, 0.0005866600000000, 0.0039324400000000 ] - [ 0.0002390000000000, 0.0005866600000000, 0.0039324400000000 ] - [ 0.0000000000000000, 0.0066468800000000, 0.0025354000000000 ] - [ 0.0000000000000000, 0.0006763400000000, 0.0023143600000000 ] - [ 0.0003489200000000, 0.0007258300000000, -0.0017092000000000 ] - [ -0.0003489200000000, 0.0007258300000000, -0.0017092000000000 ] - [ -0.0007227600000000, 0.0004030000000000, -0.0011624800000000 ] - [ 0.0007227600000000, 0.0004030000000000, -0.0011624800000000 ] - [ 0.0000000000000000, -0.0065964800000000, -0.0026858700000000 ] - [ 0.0000000000000000, -0.0011031100000000, 0.0006387500000000 ] - [ 0.0000274600000000, 0.0000390800000000, -0.0031158900000000 ] - [ -0.0000274600000000, 0.0000390800000000, -0.0031158900000000 ] - [ 0.0000000000000000, 0.0002749000000000, -0.0021181200000000 ] - [ 0.0000000000000000, 0.0000970100000000, -0.0016123000000000 ] - [ 0.0000000000000000, 0.0019760900000000, -0.0021893900000000 ] - [ 0.0000000000000000, 0.0003566200000000, -0.0008269300000000 ] - [ 0.0000000000000000, 0.0037810800000000, 0.0066743800000000 ] - [ 0.0000000000000000, -0.0000658500000000, 0.0014478500000000 ] - [ 0.0000000000000000, -0.0000383400000000, -0.0069315200000000 ] - [ 0.0000000000000000, -0.0000069300000000, -0.0016015700000000 ] - [ 0.0000000000000000, 0.0067372800000000, -0.0436334400000000 ] - [ 0.0000000000000000, 0.0008177100000000, -0.0023139900000000 ] - [ 0.0151289500000000, 0.0108282900000000, -0.0066484400000000 ] - [ -0.0151289500000000, 0.0108282900000000, -0.0066484400000000 ] - [ 0.0006983200000000, 0.0000299700000000, -0.0065811700000000 ] - [ -0.0006983200000000, 0.0000299700000000, -0.0065811700000000 ] - [ -0.0007896700000000, 0.0001796000000000, -0.0016519800000000 ] - [ 0.0007896700000000, 0.0001796000000000, -0.0016519800000000 ] - [ -0.0015309000000000, -0.0001250700000000, -0.0019798700000000 ] - [ 0.0015309000000000, -0.0001250700000000, -0.0019798700000000 ] - [ 0.0000000000000000, -0.0101508800000000, -0.0035940300000000 ] - [ 0.0000000000000000, -0.0010575900000000, 0.0018310300000000 ] - [ 0.0000000000000000, -0.0012215300000000, -0.0050502000000000 ] - [ 0.0000000000000000, -0.0005644700000000, -0.0033809600000000 ] - [ 0.0000000000000000, 0.0053924000000000, -0.0084587500000000 ] - [ 0.0000000000000000, -0.0008345000000000, -0.0019360800000000 ] - [ 0.0017268600000000, 0.0010455300000000, 0.0023517300000000 ] - [ 0.0004469200000000, 0.0001670600000000, 0.0010203900000000 ] - [ 0.0004445800000000, -0.0010081300000000, -0.0005915200000000 ] - [ -0.0013125000000000, 0.0000963600000000, 0.0001079400000000 ] - [ 0.0000000000000000, 0.0030076500000000, 0.0055422100000000 ] - [ 0.0000000000000000, 0.0004884800000000, 0.0005566600000000 ] - [ 0.0017748300000000, -0.0008711700000000, 0.0047292000000000 ] - [ -0.0000803000000000, 0.0000759200000000, 0.0005861500000000 ] - [ -0.0004469200000000, 0.0001670600000000, 0.0010203900000000 ] - [ -0.0017268600000000, 0.0010455300000000, 0.0023517300000000 ] - [ 0.0013125000000000, 0.0000963600000000, 0.0001079400000000 ] - [ -0.0004445800000000, -0.0010081300000000, -0.0005915200000000 ] - [ 0.0000803000000000, 0.0000759200000000, 0.0005861500000000 ] - [ -0.0017748300000000, -0.0008711700000000, 0.0047292000000000 ] - [ 0.0000000000000000, -0.0023937800000000, 0.0032370300000000 ] - [ 0.0000000000000000, -0.0012073800000000, 0.0016808400000000 ] - [ 0.0000000000000000, -0.0076878700000000, 0.0024492300000000 ] - [ 0.0000000000000000, -0.0005308000000000, -0.0007348700000000 ] - [ -0.0001633800000000, -0.0012155300000000, 0.0016453000000000 ] - [ 0.0001633800000000, -0.0012155300000000, 0.0016453000000000 ] - [ -0.0009713300000000, -0.0028656600000000, -0.0038165100000000 ] - [ 0.0009713300000000, -0.0028656600000000, -0.0038165100000000 ] - [ -0.0014946500000000, -0.0011957000000000, 0.0024474000000000 ] - [ 0.0009062600000000, -0.0017192100000000, 0.0026871400000000 ] - [ -0.0041430300000000, 0.0012051400000000, -0.0022530600000000 ] - [ -0.0065578600000000, -0.0008338600000000, -0.0170006800000000 ] - [ -0.0009062600000000, -0.0017192100000000, 0.0026871400000000 ] - [ 0.0014946500000000, -0.0011957000000000, 0.0024474000000000 ] - [ -0.0005928200000000, 0.0003905600000000, 0.0028209600000000 ] - [ -0.0001566900000000, 0.0002791700000000, 0.0028279900000000 ] - [ -0.0011384500000000, -0.0004541100000000, 0.0025057000000000 ] - [ 0.0011384500000000, -0.0004541100000000, 0.0025057000000000 ] - [ 0.0065578600000000, -0.0008338600000000, -0.0170006800000000 ] - [ 0.0041430300000000, 0.0012051400000000, -0.0022530600000000 ] - [ 0.0001566900000000, 0.0002791700000000, 0.0028279900000000 ] - [ 0.0005928200000000, 0.0003905600000000, 0.0028209600000000 ] - [ 0.0001135200000000, 0.0008085700000000, 0.0026894400000000 ] - [ -0.0001135200000000, 0.0008085700000000, 0.0026894400000000 ] - [ 0.0009232300000000, -0.0018407900000000, -0.0038257700000000 ] - [ -0.0009232300000000, -0.0018407900000000, -0.0038257700000000 ] - [ 0.0009466900000000, 0.0001491000000000, 0.0008447400000000 ] - [ 0.0003238700000000, -0.0001035800000000, 0.0010388700000000 ] - [ 0.0010755700000000, 0.0002525200000000, -0.0003116800000000 ] - [ -0.0005917400000000, 0.0002056200000000, 0.0003332300000000 ] - [ 0.0003981300000000, -0.0002581900000000, 0.0009040000000000 ] - [ -0.0003981300000000, -0.0002581900000000, 0.0009040000000000 ] - [ 0.0008563300000000, 0.0000916100000000, 0.0003165500000000 ] - [ -0.0003366900000000, 0.0004822600000000, 0.0006041100000000 ] - [ -0.0003238700000000, -0.0001035800000000, 0.0010388700000000 ] - [ -0.0009466900000000, 0.0001491000000000, 0.0008447400000000 ] - [ 0.0005917400000000, 0.0002056200000000, 0.0003332300000000 ] - [ -0.0010755700000000, 0.0002525200000000, -0.0003116800000000 ] - [ 0.0003366900000000, 0.0004822600000000, 0.0006041100000000 ] - [ -0.0008563300000000, 0.0000916100000000, 0.0003165500000000 ] - [ 0.0001647800000000, -0.0010603600000000, 0.0017171900000000 ] - [ -0.0001647800000000, -0.0010603600000000, 0.0017171900000000 ] - [ 0.0010066000000000, 0.0010680800000000, -0.0001678200000000 ] - [ -0.0010066000000000, 0.0010680800000000, -0.0001678200000000 ] - [ 0.0000000000000000, 0.0003454500000000, 0.0019848600000000 ] - [ 0.0000000000000000, 0.0000359000000000, 0.0009262700000000 ] - [ 0.0000000000000000, -0.0000499300000000, -0.0059642800000000 ] - [ 0.0000000000000000, 0.0011745100000000, -0.0007944000000000 ] - [ 0.0000343500000000, 0.0007208700000000, 0.0013304700000000 ] - [ 0.0011205300000000, 0.0003806500000000, 0.0000476300000000 ] - [ -0.0015608500000000, 0.0016985100000000, -0.0023963800000000 ] - [ 0.0001405800000000, 0.0000968400000000, -0.0014199200000000 ] - [ -0.0011205300000000, 0.0003806500000000, 0.0000476300000000 ] - [ -0.0000343500000000, 0.0007208700000000, 0.0013304700000000 ] - [ -0.0003194600000000, 0.0003847200000000, 0.0023343100000000 ] - [ 0.0001625800000000, 0.0001490600000000, 0.0017850400000000 ] - [ 0.0000000000000000, 0.0001490300000000, 0.0011050000000000 ] - [ 0.0000000000000000, -0.0006735300000000, 0.0003081600000000 ] - [ -0.0001405800000000, 0.0000968400000000, -0.0014199200000000 ] - [ 0.0015608500000000, 0.0016985100000000, -0.0023963800000000 ] - [ -0.0001625800000000, 0.0001490600000000, 0.0017850400000000 ] - [ 0.0003194600000000, 0.0003847200000000, 0.0023343100000000 ] - [ 0.0000000000000000, 0.0007008200000000, 0.0028759900000000 ] - [ 0.0000000000000000, 0.0005908300000000, 0.0024473500000000 ]- atom: 5 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0041770300000000, -0.0045072700000000, 0.0037863500000000 ] - [ 0.0041896400000000, 0.0042496100000000, -0.0046327200000000 ] - [ 0.0038667800000000, -0.0044033800000000, -0.0042908000000000 ] - [ 0.0038743400000000, 0.0047713200000000, 0.0049251200000000 ] - [ -0.0496165600000000, -0.0000238800000000, 0.0007893300000000 ] - [ 0.0047616600000000, -0.0001494800000000, 0.0005917300000000 ] - [ 0.0000040800000000, 0.0015247800000000, 0.0003963800000000 ] - [ 0.0000022100000000, 0.0004094200000000, -0.0005480300000000 ] - [ 0.0000017500000000, 0.0001181000000000, 0.0006516500000000 ] - [ 0.0000003900000000, 0.0001798800000000, 0.0005303300000000 ] - [ -0.0006484800000000, -0.0009717700000000, -0.0000909700000000 ] - [ 0.0005528200000000, -0.0009678700000000, -0.0000732400000000 ] - [ -0.0000032800000000, -0.0003240700000000, -0.0003192700000000 ] - [ -0.0000052300000000, 0.0003508700000000, -0.0014738000000000 ] - [ -0.0002440100000000, -0.0001625500000000, 0.0002964500000000 ] - [ 0.0002464100000000, -0.0001625900000000, 0.0002949400000000 ] - [ -0.0003302500000000, 0.0001474100000000, -0.0004072300000000 ] - [ 0.0003251900000000, 0.0001471800000000, -0.0004073800000000 ] - [ -0.0015549600000000, -0.0000176700000000, -0.0009023500000000 ] - [ 0.0010704200000000, -0.0000125900000000, -0.0008927400000000 ] - [ -0.0047793900000000, -0.0001370500000000, -0.0003971700000000 ] - [ 0.0026571600000000, -0.0001494400000000, -0.0004088400000000 ] - [ -0.0038621100000000, 0.0001902900000000, 0.0002936200000000 ] - [ 0.0020795900000000, 0.0001620700000000, 0.0003008200000000 ] - [ 0.0003999000000000, 0.0009614800000000, 0.0007206700000000 ] - [ 0.0003891200000000, -0.0012671300000000, 0.0004638600000000 ] - [ -0.0030104500000000, 0.0009709700000000, -0.0000681400000000 ] - [ 0.0016785200000000, 0.0009680800000000, -0.0000777600000000 ] - [ -0.0002073100000000, 0.0001488000000000, 0.0005909200000000 ] - [ 0.0002077900000000, 0.0001495100000000, 0.0005907100000000 ] - [ 0.0000002200000000, -0.0011205700000000, -0.0005486100000000 ] - [ -0.0000030600000000, -0.0008140600000000, 0.0003997600000000 ] - [ -0.0007640200000000, 0.0000116200000000, -0.0008963600000000 ] - [ 0.0007130600000000, 0.0000125300000000, -0.0008972300000000 ] - [ 0.0000059300000000, -0.0000639200000000, 0.0010198200000000 ] - [ 0.0000053400000000, -0.0002619500000000, -0.0004300300000000 ] - [ 0.0000008200000000, 0.0002699400000000, -0.0005543200000000 ] - [ -0.0000026900000000, 0.0000238400000000, -0.0002597000000000 ] - [ 0.0013966900000000, 0.0017340800000000, -0.0054554500000000 ] - [ 0.0013910400000000, -0.0017737200000000, 0.0036977600000000 ] - [ 0.0000086900000000, 0.0002697000000000, 0.0004452900000000 ] - [ 0.0000054500000000, 0.0003794200000000, 0.0008507900000000 ] - [ 0.0000423300000000, 0.0001924800000000, -0.0027260600000000 ] - [ 0.0000321400000000, 0.0007399500000000, -0.0008830000000000 ] - [ -0.0156250700000000, -0.0003808300000000, 0.0006662200000000 ] - [ 0.0038672300000000, -0.0003222800000000, 0.0006477600000000 ] - [ -0.0017058400000000, -0.0004741800000000, -0.0017926100000000 ] - [ 0.0016301900000000, -0.0004653000000000, -0.0018063300000000 ] - [ -0.0004075400000000, 0.0003254100000000, 0.0006465500000000 ] - [ 0.0004027900000000, 0.0003248400000000, 0.0006487600000000 ] - [ -0.0008027000000000, 0.0004689500000000, -0.0018082400000000 ] - [ 0.0008472800000000, 0.0004664200000000, -0.0018015500000000 ] - [ 0.0193867400000000, 0.0179758300000000, 0.0085057300000000 ] - [ 0.0195783600000000, -0.0188774200000000, -0.0073066000000000 ] - [ 0.0035809900000000, 0.0014224300000000, 0.0048208000000000 ] - [ 0.0035707300000000, -0.0023641100000000, -0.0084414500000000 ] - [ -0.0000868100000000, 0.0001736200000000, 0.0014763900000000 ] - [ -0.0000807200000000, -0.0017854700000000, -0.0002012300000000 ] - [ 0.0004733600000000, -0.0000070100000000, -0.0001964600000000 ] - [ 0.0001622900000000, -0.0001520800000000, -0.0002900500000000 ] - [ 0.0006439200000000, 0.0001459500000000, 0.0013994600000000 ] - [ -0.0000081600000000, -0.0000216600000000, 0.0002317800000000 ] - [ -0.0000025600000000, 0.0004495000000000, 0.0004098500000000 ] - [ -0.0000013800000000, 0.0002296900000000, -0.0001589900000000 ] - [ 0.0006447000000000, -0.0000056800000000, -0.0000697000000000 ] - [ 0.0003365300000000, 0.0000613500000000, -0.0005233500000000 ] - [ -0.0001657500000000, -0.0001520400000000, -0.0002816400000000 ] - [ -0.0004795200000000, -0.0000058700000000, -0.0001872600000000 ] - [ -0.0000755300000000, -0.0000754200000000, 0.0002160300000000 ] - [ -0.0007403300000000, 0.0000912000000000, 0.0013749300000000 ] - [ -0.0003511900000000, 0.0000548800000000, -0.0005264600000000 ] - [ -0.0006660500000000, -0.0000146800000000, -0.0000752200000000 ] - [ -0.0000003400000000, -0.0007579500000000, 0.0003111100000000 ] - [ 0.0000000600000000, -0.0007761100000000, 0.0004706800000000 ] - [ -0.0000000400000000, 0.0004388900000000, 0.0008207600000000 ] - [ 0.0000044500000000, -0.0004602000000000, -0.0009116700000000 ] - [ 0.0005151700000000, 0.0000130000000000, -0.0000466600000000 ] - [ -0.0004018200000000, 0.0000092700000000, -0.0000428000000000 ] - [ 0.0017983500000000, 0.0007719000000000, 0.0003904200000000 ] - [ -0.0009277400000000, 0.0007681700000000, 0.0003900100000000 ] - [ 0.0023416700000000, -0.0000745500000000, -0.0002278700000000 ] - [ -0.0008651000000000, -0.0000713300000000, -0.0003373300000000 ] - [ 0.0088084400000000, -0.0026980700000000, 0.0023552400000000 ] - [ -0.0021565100000000, 0.0013237500000000, -0.0009432400000000 ] - [ 0.0013323900000000, 0.0000347400000000, -0.0003815100000000 ] - [ -0.0018666400000000, 0.0000223000000000, -0.0002621000000000 ] - [ 0.0010757200000000, -0.0002105600000000, 0.0006805600000000 ] - [ -0.0003571800000000, 0.0001788700000000, 0.0008662800000000 ] - [ 0.0033245500000000, -0.0003382400000000, 0.0001218600000000 ] - [ -0.0011664800000000, -0.0003415300000000, 0.0001255900000000 ] - [ 0.0080775100000000, 0.0030251200000000, -0.0028246600000000 ] - [ -0.0028023700000000, -0.0011735700000000, 0.0004642000000000 ] - [ 0.0003390200000000, 0.0001415100000000, 0.0009262700000000 ] - [ -0.0010857400000000, -0.0002475000000000, 0.0007484900000000 ] - [ 0.0002394700000000, 0.0008024200000000, 0.0006382800000000 ] - [ -0.0003012400000000, 0.0008027000000000, 0.0006401400000000 ] - [ 0.0072667500000000, -0.0008162400000000, 0.0006288000000000 ] - [ -0.0018836500000000, -0.0008031400000000, 0.0006347900000000 ] - [ 0.0005882800000000, 0.0000273400000000, -0.0000659200000000 ] - [ 0.0000501000000000, -0.0001884600000000, -0.0004178400000000 ] - [ 0.0011491400000000, 0.0003548600000000, 0.0003979800000000 ] - [ -0.0004369500000000, -0.0003108800000000, 0.0012488400000000 ] - [ 0.0001223700000000, 0.0003385900000000, 0.0001268500000000 ] - [ -0.0001269600000000, 0.0003387400000000, 0.0001236700000000 ] - [ 0.0007108200000000, -0.0000439400000000, -0.0003172400000000 ] - [ 0.0002929900000000, 0.0000877700000000, -0.0002895200000000 ] - [ -0.0000564100000000, -0.0001836600000000, -0.0004094600000000 ] - [ -0.0005922200000000, 0.0000305600000000, -0.0000587200000000 ] - [ 0.0004132900000000, -0.0002884000000000, 0.0012164300000000 ] - [ -0.0011662600000000, 0.0003807000000000, 0.0003598700000000 ] - [ -0.0002937400000000, 0.0000894700000000, -0.0002799700000000 ] - [ -0.0007090400000000, -0.0000409800000000, -0.0003113100000000 ] - [ 0.0000750600000000, -0.0007687900000000, 0.0003924500000000 ] - [ -0.0000729700000000, -0.0007675300000000, 0.0003914800000000 ] - [ 0.0001791000000000, -0.0000094700000000, -0.0000423200000000 ] - [ -0.0002215100000000, -0.0000091500000000, -0.0000451300000000 ] - [ -0.0004311500000000, 0.0009671400000000, -0.0019621900000000 ] - [ -0.0004302400000000, -0.0009454600000000, 0.0018803200000000 ] - [ -0.0060428500000000, -0.0041110300000000, -0.0004609300000000 ] - [ -0.0058606700000000, 0.0056584400000000, 0.0012566500000000 ] - [ 0.0031628600000000, -0.0007864500000000, -0.0017723200000000 ] - [ -0.0028635300000000, -0.0001586800000000, 0.0020718800000000 ] - [ 0.0011783400000000, -0.0053459500000000, 0.0008862600000000 ] - [ -0.0039614900000000, 0.0031594300000000, -0.0017433300000000 ] - [ 0.0023193200000000, 0.0006437200000000, 0.0010327300000000 ] - [ -0.0038642400000000, 0.0001163500000000, -0.0026595400000000 ] - [ 0.0016987100000000, -0.0007252800000000, -0.0010917400000000 ] - [ -0.0017989500000000, 0.0006651600000000, 0.0024543900000000 ] - [ -0.0008602400000000, -0.0023252700000000, -0.0018991000000000 ] - [ -0.0008539300000000, 0.0016465200000000, 0.0021577600000000 ] - [ 0.0005968700000000, 0.0055210200000000, -0.0013815900000000 ] - [ -0.0045987900000000, -0.0029876400000000, 0.0012583700000000 ] - [ 0.0009720300000000, 0.0006579900000000, 0.0027077700000000 ] - [ -0.0025348800000000, -0.0007348200000000, -0.0008419600000000 ] - [ -0.0000110800000000, 0.0006432300000000, 0.0003510800000000 ] - [ -0.0000105300000000, 0.0009627900000000, 0.0009274800000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0050849400000000, -0.0015894200000000, -0.0038467300000000 ] - [ 0.0050849400000000, -0.0015894200000000, -0.0038467300000000 ] - [ -0.0047161400000000, -0.0003359200000000, 0.0047555000000000 ] - [ 0.0047161400000000, -0.0003359200000000, 0.0047555000000000 ] - [ 0.0000000000000000, -0.0608180800000000, 0.0027258100000000 ] - [ 0.0000000000000000, -0.0016331900000000, 0.0004331300000000 ] - [ -0.0006897400000000, 0.0022042300000000, -0.0004670600000000 ] - [ 0.0006897400000000, 0.0022042300000000, -0.0004670600000000 ] - [ -0.0000303900000000, 0.0002300100000000, 0.0004561700000000 ] - [ 0.0000303900000000, 0.0002300100000000, 0.0004561700000000 ] - [ 0.0000000000000000, -0.0020741100000000, -0.0016621400000000 ] - [ 0.0000000000000000, -0.0013396000000000, -0.0003091100000000 ] - [ -0.0003765500000000, -0.0005807800000000, -0.0012393400000000 ] - [ 0.0003765500000000, -0.0005807800000000, -0.0012393400000000 ] - [ 0.0000000000000000, -0.0002293400000000, -0.0006982600000000 ] - [ 0.0000000000000000, -0.0001713500000000, 0.0000506900000000 ] - [ 0.0000000000000000, 0.0001394600000000, -0.0003478100000000 ] - [ 0.0000000000000000, 0.0002275400000000, -0.0003533300000000 ] - [ 0.0000000000000000, 0.0022368100000000, 0.0041276400000000 ] - [ 0.0000000000000000, 0.0002526400000000, -0.0004201200000000 ] - [ 0.0000000000000000, 0.0089171100000000, 0.0056772700000000 ] - [ 0.0000000000000000, 0.0009844500000000, 0.0001684100000000 ] - [ 0.0000000000000000, 0.0108744100000000, -0.0064395100000000 ] - [ 0.0000000000000000, 0.0009415400000000, -0.0005278200000000 ] - [ -0.0011208000000000, 0.0035599000000000, 0.0008408400000000 ] - [ 0.0011208000000000, 0.0035599000000000, 0.0008408400000000 ] - [ 0.0000000000000000, -0.0020591000000000, -0.0001287200000000 ] - [ 0.0000000000000000, 0.0001374400000000, 0.0003119300000000 ] - [ 0.0000000000000000, 0.0000231500000000, 0.0003505300000000 ] - [ 0.0000000000000000, 0.0000647200000000, 0.0005757300000000 ] - [ -0.0000065800000000, -0.0004876300000000, 0.0002216400000000 ] - [ 0.0000065800000000, -0.0004876300000000, 0.0002216400000000 ] - [ 0.0000000000000000, 0.0007284100000000, -0.0011255000000000 ] - [ 0.0000000000000000, 0.0004043700000000, -0.0007342400000000 ] - [ -0.0000633500000000, -0.0001002400000000, 0.0005545400000000 ] - [ 0.0000633500000000, -0.0001002400000000, 0.0005545400000000 ] - [ 0.0000896800000000, 0.0001234400000000, -0.0006340300000000 ] - [ -0.0000896800000000, 0.0001234400000000, -0.0006340300000000 ] - [ 0.0019994500000000, 0.0000497300000000, -0.0033129400000000 ] - [ -0.0019994500000000, 0.0000497300000000, -0.0033129400000000 ] - [ 0.0000047900000000, 0.0001017100000000, 0.0004470300000000 ] - [ -0.0000047900000000, 0.0001017100000000, 0.0004470300000000 ] - [ 0.0000698300000000, -0.0006964200000000, -0.0012944000000000 ] - [ -0.0000698300000000, -0.0006964200000000, -0.0012944000000000 ] - [ 0.0000000000000000, 0.0331153900000000, -0.0099797400000000 ] - [ 0.0000000000000000, 0.0007600700000000, 0.0004091100000000 ] - [ 0.0000000000000000, 0.0057408700000000, -0.0092440800000000 ] - [ 0.0000000000000000, 0.0000192700000000, -0.0024680500000000 ] - [ 0.0000000000000000, 0.0005532500000000, 0.0001710200000000 ] - [ 0.0000000000000000, 0.0004057900000000, 0.0004922800000000 ] - [ 0.0000000000000000, 0.0021604900000000, -0.0027492400000000 ] - [ 0.0000000000000000, 0.0010596600000000, -0.0023316700000000 ] - [ 0.0169598300000000, 0.0000275700000000, 0.0047458600000000 ] - [ -0.0169598300000000, 0.0000275700000000, 0.0047458600000000 ] - [ 0.0018552600000000, -0.0002581100000000, 0.0021733000000000 ] - [ -0.0018552600000000, -0.0002581100000000, 0.0021733000000000 ] - [ 0.0006764800000000, -0.0020405400000000, -0.0000775000000000 ] - [ -0.0006764800000000, -0.0020405400000000, -0.0000775000000000 ] - [ 0.0005142400000000, 0.0000319400000000, 0.0000208000000000 ] - [ 0.0003534000000000, -0.0000309300000000, -0.0001692600000000 ] - [ 0.0006955500000000, 0.0006799900000000, -0.0001878200000000 ] - [ 0.0003734100000000, 0.0002036800000000, 0.0000176500000000 ] - [ -0.0000056000000000, 0.0003778700000000, 0.0001056300000000 ] - [ 0.0000056000000000, 0.0003778700000000, 0.0001056300000000 ] - [ 0.0002168100000000, 0.0003145900000000, -0.0001313400000000 ] - [ 0.0004585600000000, 0.0001841100000000, -0.0003106000000000 ] - [ -0.0005142400000000, 0.0000319400000000, 0.0000208000000000 ] - [ -0.0003534000000000, -0.0000309300000000, -0.0001692600000000 ] - [ -0.0006955500000000, 0.0006799900000000, -0.0001878200000000 ] - [ -0.0003734100000000, 0.0002036800000000, 0.0000176500000000 ] - [ -0.0002168100000000, 0.0003145900000000, -0.0001313400000000 ] - [ -0.0004585600000000, 0.0001841100000000, -0.0003106000000000 ] - [ 0.0000085500000000, -0.0006760700000000, 0.0004810300000000 ] - [ -0.0000085500000000, -0.0006760700000000, 0.0004810300000000 ] - [ -0.0001991900000000, 0.0010491100000000, 0.0006265700000000 ] - [ 0.0001991900000000, 0.0010491100000000, 0.0006265700000000 ] - [ 0.0000000000000000, -0.0040356700000000, 0.0008727700000000 ] - [ 0.0000000000000000, -0.0007526300000000, 0.0000758400000000 ] - [ 0.0000000000000000, -0.0067203400000000, -0.0029909900000000 ] - [ 0.0000000000000000, -0.0001857900000000, 0.0000035300000000 ] - [ -0.0016102100000000, -0.0031088100000000, 0.0028660600000000 ] - [ 0.0008030100000000, -0.0004784000000000, -0.0001667900000000 ] - [ 0.0006790200000000, 0.0019845600000000, 0.0004145100000000 ] - [ 0.0015110300000000, 0.0002178000000000, -0.0000578000000000 ] - [ 0.0016102100000000, -0.0031088100000000, 0.0028660600000000 ] - [ -0.0008030100000000, -0.0004784000000000, -0.0001667900000000 ] - [ -0.0012138700000000, 0.0000878700000000, 0.0029893200000000 ] - [ 0.0005970000000000, -0.0000284300000000, 0.0011111200000000 ] - [ 0.0000000000000000, -0.0029748900000000, 0.0067148700000000 ] - [ 0.0000000000000000, -0.0000894600000000, 0.0003960600000000 ] - [ -0.0006790200000000, 0.0019845600000000, 0.0004145100000000 ] - [ -0.0015110300000000, 0.0002178000000000, -0.0000578000000000 ] - [ 0.0012138700000000, 0.0000878700000000, 0.0029893200000000 ] - [ -0.0005970000000000, -0.0000284300000000, 0.0011111200000000 ] - [ 0.0000000000000000, 0.0012298600000000, 0.0007509600000000 ] - [ 0.0000000000000000, 0.0010637800000000, 0.0004573300000000 ] - [ 0.0000000000000000, 0.0070652300000000, -0.0032381100000000 ] - [ 0.0000000000000000, -0.0003643500000000, 0.0010121300000000 ] - [ 0.0002892100000000, -0.0000896300000000, -0.0001449400000000 ] - [ 0.0003023200000000, -0.0000905400000000, -0.0002207800000000 ] - [ 0.0001935100000000, -0.0005698700000000, 0.0019434800000000 ] - [ 0.0000453900000000, -0.0003654300000000, 0.0013524800000000 ] - [ 0.0000000000000000, 0.0000445200000000, 0.0004743000000000 ] - [ 0.0000000000000000, 0.0003619200000000, 0.0002458600000000 ] - [ 0.0005882000000000, -0.0001997900000000, -0.0000737000000000 ] - [ 0.0005719300000000, -0.0000972100000000, -0.0001720500000000 ] - [ -0.0002892100000000, -0.0000896300000000, -0.0001449400000000 ] - [ -0.0003023200000000, -0.0000905400000000, -0.0002207800000000 ] - [ -0.0001935100000000, -0.0005698700000000, 0.0019434800000000 ] - [ -0.0000453900000000, -0.0003654300000000, 0.0013524800000000 ] - [ -0.0005882000000000, -0.0001997900000000, -0.0000737000000000 ] - [ -0.0005719300000000, -0.0000972100000000, -0.0001720500000000 ] - [ 0.0000000000000000, -0.0010267500000000, 0.0006462400000000 ] - [ 0.0000000000000000, -0.0008881300000000, 0.0004425100000000 ] - [ 0.0000000000000000, -0.0016502400000000, -0.0012088200000000 ] - [ 0.0000000000000000, -0.0005140400000000, -0.0002782200000000 ] - [ -0.0001337200000000, 0.0018681400000000, -0.0007131700000000 ] - [ 0.0001337200000000, 0.0018681400000000, -0.0007131700000000 ] - [ -0.0009866600000000, 0.0055384100000000, 0.0016225900000000 ] - [ 0.0009866600000000, 0.0055384100000000, 0.0016225900000000 ] - [ 0.0003396400000000, 0.0032580100000000, -0.0007732400000000 ] - [ 0.0021480400000000, 0.0006318700000000, -0.0017668400000000 ] - [ -0.0064981800000000, -0.0042779000000000, -0.0017214500000000 ] - [ 0.0024868400000000, -0.0012247900000000, 0.0002366500000000 ] - [ -0.0003396400000000, 0.0032580100000000, -0.0007732400000000 ] - [ -0.0021480400000000, 0.0006318700000000, -0.0017668400000000 ] - [ 0.0008267300000000, -0.0003110700000000, -0.0003523700000000 ] - [ 0.0011339100000000, -0.0002778900000000, -0.0000909600000000 ] - [ -0.0006185400000000, -0.0012370300000000, -0.0011768600000000 ] - [ 0.0006185400000000, -0.0012370300000000, -0.0011768600000000 ] - [ 0.0064981800000000, -0.0042779000000000, -0.0017214500000000 ] - [ -0.0024868400000000, -0.0012247900000000, 0.0002366500000000 ] - [ -0.0008267300000000, -0.0003110700000000, -0.0003523700000000 ] - [ -0.0011339100000000, -0.0002778900000000, -0.0000909600000000 ] - [ 0.0001005600000000, 0.0004357300000000, 0.0009439600000000 ] - [ -0.0001005600000000, 0.0004357300000000, 0.0009439600000000 ]- atom: 5 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0050559900000000, 0.0012665400000000, 0.0030145200000000 ] - [ -0.0050559900000000, 0.0012665400000000, 0.0030145200000000 ] - [ 0.0046885700000000, 0.0006330400000000, -0.0041277500000000 ] - [ -0.0046885700000000, 0.0006330400000000, -0.0041277500000000 ] - [ 0.0000000000000000, 0.0594281100000000, -0.0015032100000000 ] - [ 0.0000000000000000, 0.0013260200000000, 0.0007509100000000 ] - [ 0.0006814600000000, -0.0002627100000000, 0.0003109200000000 ] - [ -0.0006814600000000, -0.0002627100000000, 0.0003109200000000 ] - [ 0.0000302900000000, 0.0000680300000000, 0.0007270500000000 ] - [ -0.0000302900000000, 0.0000680300000000, 0.0007270500000000 ] - [ 0.0000000000000000, 0.0001322900000000, 0.0014848500000000 ] - [ 0.0000000000000000, -0.0005976500000000, 0.0001562300000000 ] - [ 0.0003737000000000, 0.0006017500000000, -0.0005575800000000 ] - [ -0.0003737000000000, 0.0006017500000000, -0.0005575800000000 ] - [ 0.0000000000000000, -0.0000947500000000, 0.0012867600000000 ] - [ 0.0000000000000000, -0.0001506600000000, 0.0005439700000000 ] - [ 0.0000000000000000, 0.0001528600000000, -0.0004644400000000 ] - [ 0.0000000000000000, 0.0000669100000000, -0.0004618400000000 ] - [ 0.0000000000000000, -0.0022487400000000, -0.0058733700000000 ] - [ 0.0000000000000000, -0.0002776300000000, -0.0013696200000000 ] - [ 0.0000000000000000, -0.0092463400000000, -0.0065514500000000 ] - [ 0.0000000000000000, -0.0012725100000000, -0.0009811800000000 ] - [ 0.0000000000000000, -0.0105928500000000, 0.0071313400000000 ] - [ 0.0000000000000000, -0.0006122800000000, 0.0011242500000000 ] - [ 0.0011081600000000, -0.0038471500000000, 0.0003440500000000 ] - [ -0.0011081600000000, -0.0038471500000000, 0.0003440500000000 ] - [ 0.0000000000000000, 0.0039731800000000, 0.0000014300000000 ] - [ 0.0000000000000000, 0.0017900300000000, -0.0004603600000000 ] - [ 0.0000000000000000, 0.0002735200000000, 0.0008323100000000 ] - [ 0.0000000000000000, 0.0002331500000000, 0.0006078900000000 ] - [ 0.0000053500000000, -0.0014430400000000, -0.0003683500000000 ] - [ -0.0000053500000000, -0.0014430400000000, -0.0003683500000000 ] - [ 0.0000000000000000, -0.0006969900000000, -0.0006728400000000 ] - [ 0.0000000000000000, -0.0003758400000000, -0.0010591900000000 ] - [ 0.0000623600000000, -0.0002217200000000, 0.0000441800000000 ] - [ -0.0000623600000000, -0.0002217200000000, 0.0000441800000000 ] - [ -0.0000883100000000, 0.0001706200000000, -0.0001807800000000 ] - [ 0.0000883100000000, 0.0001706200000000, -0.0001807800000000 ] - [ -0.0019903900000000, -0.0000630500000000, 0.0015109500000000 ] - [ 0.0019903900000000, -0.0000630500000000, 0.0015109500000000 ] - [ -0.0000040300000000, 0.0005456100000000, 0.0008542400000000 ] - [ 0.0000040300000000, 0.0005456100000000, 0.0008542400000000 ] - [ -0.0000661300000000, 0.0016200700000000, -0.0023166100000000 ] - [ 0.0000661300000000, 0.0016200700000000, -0.0023166100000000 ] - [ 0.0000000000000000, -0.0332558000000000, 0.0111443200000000 ] - [ 0.0000000000000000, -0.0014075800000000, 0.0008924800000000 ] - [ 0.0000000000000000, -0.0066473200000000, 0.0055786900000000 ] - [ 0.0000000000000000, -0.0009513200000000, -0.0011482100000000 ] - [ 0.0000000000000000, 0.0001005500000000, 0.0011302500000000 ] - [ 0.0000000000000000, 0.0002446400000000, 0.0008087800000000 ] - [ 0.0000000000000000, -0.0012088800000000, -0.0008630500000000 ] - [ 0.0000000000000000, -0.0001216400000000, -0.0012826800000000 ] - [ -0.0170232100000000, -0.0005729100000000, -0.0034753100000000 ] - [ 0.0170232100000000, -0.0005729100000000, -0.0034753100000000 ] - [ -0.0018302100000000, -0.0006618800000000, -0.0057513400000000 ] - [ 0.0018302100000000, -0.0006618800000000, -0.0057513400000000 ] - [ -0.0006693800000000, 0.0004307500000000, 0.0013472000000000 ] - [ 0.0006693800000000, 0.0004307500000000, 0.0013472000000000 ] - [ 0.0001243300000000, -0.0001913400000000, -0.0004962900000000 ] - [ 0.0002843800000000, -0.0001288300000000, -0.0003077300000000 ] - [ 0.0000303500000000, -0.0006055900000000, 0.0017951100000000 ] - [ 0.0003530200000000, -0.0001357700000000, 0.0015890400000000 ] - [ 0.0000052700000000, 0.0003005200000000, 0.0001441000000000 ] - [ -0.0000052700000000, 0.0003005200000000, 0.0001441000000000 ] - [ 0.0007774500000000, -0.0002642400000000, -0.0004660700000000 ] - [ 0.0005408400000000, -0.0001357700000000, -0.0002893900000000 ] - [ -0.0001243300000000, -0.0001913400000000, -0.0004962900000000 ] - [ -0.0002843800000000, -0.0001288300000000, -0.0003077300000000 ] - [ -0.0000303500000000, -0.0006055900000000, 0.0017951100000000 ] - [ -0.0003530200000000, -0.0001357700000000, 0.0015890400000000 ] - [ -0.0007774500000000, -0.0002642400000000, -0.0004660700000000 ] - [ -0.0005408400000000, -0.0001357700000000, -0.0002893900000000 ] - [ -0.0000085700000000, -0.0008551800000000, 0.0003006600000000 ] - [ 0.0000085700000000, -0.0008551800000000, 0.0003006600000000 ] - [ 0.0001956200000000, -0.0010570400000000, -0.0007116600000000 ] - [ -0.0001956200000000, -0.0010570400000000, -0.0007116600000000 ] - [ 0.0000000000000000, 0.0040439000000000, -0.0009459400000000 ] - [ 0.0000000000000000, 0.0007630200000000, -0.0001633700000000 ] - [ 0.0000000000000000, 0.0082207700000000, 0.0037509500000000 ] - [ 0.0000000000000000, 0.0017170800000000, 0.0007772400000000 ] - [ 0.0025942500000000, 0.0030476600000000, -0.0034465300000000 ] - [ 0.0002009700000000, 0.0004307700000000, -0.0004333100000000 ] - [ 0.0001225200000000, -0.0013968300000000, -0.0008784100000000 ] - [ -0.0008634500000000, -0.0000550900000000, -0.0004195300000000 ] - [ -0.0025942500000000, 0.0030476600000000, -0.0034465300000000 ] - [ -0.0002009700000000, 0.0004307700000000, -0.0004333100000000 ] - [ 0.0019298800000000, -0.0001517800000000, -0.0013625800000000 ] - [ 0.0001311000000000, -0.0000374700000000, 0.0005032500000000 ] - [ 0.0000000000000000, 0.0023484900000000, -0.0064494200000000 ] - [ 0.0000000000000000, -0.0005868500000000, -0.0001464400000000 ] - [ -0.0001225200000000, -0.0013968300000000, -0.0008784100000000 ] - [ 0.0008634500000000, -0.0000550900000000, -0.0004195300000000 ] - [ -0.0019298800000000, -0.0001517800000000, -0.0013625800000000 ] - [ -0.0001311000000000, -0.0000374700000000, 0.0005032500000000 ] - [ 0.0000000000000000, 0.0003808900000000, 0.0005240200000000 ] - [ 0.0000000000000000, 0.0005460600000000, 0.0008187300000000 ] - [ 0.0000000000000000, -0.0087189700000000, 0.0047184700000000 ] - [ 0.0000000000000000, -0.0012439600000000, 0.0002681800000000 ] - [ 0.0003495000000000, -0.0000702000000000, -0.0003316600000000 ] - [ 0.0003369200000000, -0.0000690600000000, -0.0002557000000000 ] - [ 0.0005315000000000, 0.0006282600000000, -0.0003310100000000 ] - [ 0.0006786000000000, 0.0004286400000000, 0.0002634100000000 ] - [ 0.0000000000000000, 0.0006296200000000, -0.0002226400000000 ] - [ 0.0000000000000000, 0.0003145800000000, 0.0000030300000000 ] - [ 0.0004138700000000, 0.0002449600000000, -0.0005261600000000 ] - [ 0.0004294500000000, 0.0001429100000000, -0.0004285000000000 ] - [ -0.0003495000000000, -0.0000702000000000, -0.0003316600000000 ] - [ -0.0003369200000000, -0.0000690600000000, -0.0002557000000000 ] - [ -0.0005315000000000, 0.0006282600000000, -0.0003310100000000 ] - [ -0.0006786000000000, 0.0004286400000000, 0.0002634100000000 ] - [ -0.0004138700000000, 0.0002449600000000, -0.0005261600000000 ] - [ -0.0004294500000000, 0.0001429100000000, -0.0004285000000000 ] - [ 0.0000000000000000, -0.0005090400000000, 0.0001382200000000 ] - [ 0.0000000000000000, -0.0006461500000000, 0.0003400700000000 ] - [ 0.0000000000000000, 0.0016200600000000, 0.0011048000000000 ] - [ 0.0000000000000000, 0.0004971900000000, 0.0001870100000000 ] - [ 0.0001331000000000, -0.0018404700000000, 0.0006206400000000 ] - [ -0.0001331000000000, -0.0018404700000000, 0.0006206400000000 ] - [ 0.0009384600000000, -0.0040273500000000, -0.0008520100000000 ] - [ -0.0009384600000000, -0.0040273500000000, -0.0008520100000000 ] - [ 0.0005475300000000, -0.0033594900000000, 0.0000775100000000 ] - [ -0.0011339200000000, -0.0006794400000000, 0.0011621500000000 ] - [ 0.0071652100000000, 0.0043835500000000, 0.0012611600000000 ] - [ -0.0018448400000000, 0.0013696800000000, -0.0007096300000000 ] - [ -0.0005475300000000, -0.0033594900000000, 0.0000775100000000 ] - [ 0.0011339200000000, -0.0006794400000000, 0.0011621500000000 ] - [ -0.0000927000000000, 0.0002386800000000, 0.0019557400000000 ] - [ -0.0003934700000000, 0.0002058700000000, 0.0016944600000000 ] - [ 0.0006215500000000, 0.0005390800000000, 0.0014251100000000 ] - [ -0.0006215500000000, 0.0005390800000000, 0.0014251100000000 ] - [ -0.0071652100000000, 0.0043835500000000, 0.0012611600000000 ] - [ 0.0018448400000000, 0.0013696800000000, -0.0007096300000000 ] - [ 0.0000927000000000, 0.0002386800000000, 0.0019557400000000 ] - [ 0.0003934700000000, 0.0002058700000000, 0.0016944600000000 ] - [ -0.0000993500000000, 0.0011668200000000, 0.0003354900000000 ] - [ 0.0000993500000000, 0.0011668200000000, 0.0003354900000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0048425300000000, -0.0033101400000000, -0.0005397500000000 ] - [ -0.0048425300000000, -0.0033101400000000, -0.0005397500000000 ] - [ -0.0043049100000000, 0.0033651700000000, -0.0004694100000000 ] - [ 0.0043049100000000, 0.0033651700000000, -0.0004694100000000 ] - [ 0.0000000000000000, 0.0023218900000000, -0.0593638100000000 ] - [ 0.0000000000000000, -0.0003078900000000, -0.0010426900000000 ] - [ 0.0005541600000000, 0.0010945900000000, 0.0003040500000000 ] - [ -0.0005541600000000, 0.0010945900000000, 0.0003040500000000 ] - [ -0.0000604600000000, 0.0002851300000000, 0.0017033200000000 ] - [ 0.0000604600000000, 0.0002851300000000, 0.0017033200000000 ] - [ 0.0000000000000000, 0.0001927300000000, 0.0079606500000000 ] - [ 0.0000000000000000, -0.0010454200000000, 0.0001686100000000 ] - [ 0.0005325500000000, -0.0000732200000000, 0.0008241800000000 ] - [ -0.0005325500000000, -0.0000732200000000, 0.0008241800000000 ] - [ 0.0000000000000000, -0.0005130500000000, 0.0023291600000000 ] - [ 0.0000000000000000, -0.0003060700000000, 0.0015126000000000 ] - [ 0.0000000000000000, 0.0002288100000000, 0.0007025600000000 ] - [ 0.0000000000000000, 0.0002400400000000, 0.0001820200000000 ] - [ 0.0000000000000000, 0.0026520800000000, -0.0005323800000000 ] - [ 0.0000000000000000, 0.0002962700000000, -0.0017710000000000 ] - [ 0.0000000000000000, 0.0056063400000000, -0.0002921000000000 ] - [ 0.0000000000000000, 0.0002177100000000, -0.0010317800000000 ] - [ 0.0000000000000000, -0.0108964400000000, -0.0016365900000000 ] - [ 0.0000000000000000, -0.0002983800000000, -0.0014276700000000 ] - [ -0.0001218200000000, 0.0000946800000000, -0.0011922000000000 ] - [ 0.0001218200000000, 0.0000946800000000, -0.0011922000000000 ] - [ 0.0000000000000000, 0.0008771700000000, 0.0093077900000000 ] - [ 0.0000000000000000, 0.0005449700000000, 0.0003111400000000 ] - [ 0.0000000000000000, 0.0003887900000000, 0.0023030700000000 ] - [ 0.0000000000000000, 0.0001649800000000, 0.0016051200000000 ] - [ -0.0004927800000000, -0.0010191200000000, 0.0002121200000000 ] - [ 0.0004927800000000, -0.0010191200000000, 0.0002121200000000 ] - [ 0.0000000000000000, 0.0002294100000000, 0.0010898500000000 ] - [ 0.0000000000000000, 0.0003587800000000, 0.0003721800000000 ] - [ 0.0001043400000000, -0.0002065100000000, 0.0020577300000000 ] - [ -0.0001043400000000, -0.0002065100000000, 0.0020577300000000 ] - [ -0.0004046900000000, -0.0000911800000000, 0.0006245200000000 ] - [ 0.0004046900000000, -0.0000911800000000, 0.0006245200000000 ] - [ -0.0050855900000000, -0.0020298800000000, 0.0002770800000000 ] - [ 0.0050855900000000, -0.0020298800000000, 0.0002770800000000 ] - [ -0.0002015200000000, 0.0007205300000000, 0.0033503300000000 ] - [ 0.0002015200000000, 0.0007205300000000, 0.0033503300000000 ] - [ -0.0018825100000000, 0.0013637200000000, 0.0007762800000000 ] - [ 0.0018825100000000, 0.0013637200000000, 0.0007762800000000 ] - [ 0.0000000000000000, -0.0063700500000000, -0.0099388900000000 ] - [ 0.0000000000000000, 0.0003885800000000, -0.0020278200000000 ] - [ 0.0000000000000000, -0.0085968200000000, 0.0015469800000000 ] - [ 0.0000000000000000, -0.0006396700000000, -0.0022555700000000 ] - [ 0.0000000000000000, 0.0003149100000000, 0.0037171000000000 ] - [ 0.0000000000000000, 0.0005466000000000, 0.0025276200000000 ] - [ 0.0000000000000000, -0.0006103000000000, 0.0014207500000000 ] - [ 0.0000000000000000, 0.0001361100000000, -0.0004206100000000 ] - [ 0.0083667900000000, 0.0051299100000000, -0.0125338300000000 ] - [ -0.0083667900000000, 0.0051299100000000, -0.0125338300000000 ] - [ 0.0058702700000000, 0.0020598400000000, 0.0024144900000000 ] - [ -0.0058702700000000, 0.0020598400000000, 0.0024144900000000 ] - [ 0.0003420100000000, -0.0015299900000000, 0.0015952900000000 ] - [ -0.0003420100000000, -0.0015299900000000, 0.0015952900000000 ] - [ -0.0001533000000000, -0.0004074100000000, -0.0014905700000000 ] - [ -0.0000843100000000, -0.0004319200000000, -0.0012021800000000 ] - [ 0.0021103500000000, -0.0007822900000000, -0.0008583300000000 ] - [ -0.0001627500000000, -0.0002073200000000, 0.0008081000000000 ] - [ 0.0001838400000000, -0.0000663100000000, -0.0010740600000000 ] - [ -0.0001838400000000, -0.0000663100000000, -0.0010740600000000 ] - [ 0.0011887900000000, -0.0004001600000000, -0.0019600000000000 ] - [ 0.0002560000000000, -0.0000277400000000, -0.0015372900000000 ] - [ 0.0001533000000000, -0.0004074100000000, -0.0014905700000000 ] - [ 0.0000843100000000, -0.0004319200000000, -0.0012021800000000 ] - [ -0.0021103500000000, -0.0007822900000000, -0.0008583300000000 ] - [ 0.0001627500000000, -0.0002073200000000, 0.0008081000000000 ] - [ -0.0011887900000000, -0.0004001600000000, -0.0019600000000000 ] - [ -0.0002560000000000, -0.0000277400000000, -0.0015372900000000 ] - [ -0.0000121200000000, -0.0002596800000000, -0.0008467100000000 ] - [ 0.0000121200000000, -0.0002596800000000, -0.0008467100000000 ] - [ 0.0008847100000000, -0.0006105700000000, -0.0011816100000000 ] - [ -0.0008847100000000, -0.0006105700000000, -0.0011816100000000 ] - [ 0.0000000000000000, 0.0020442700000000, -0.0007474800000000 ] - [ 0.0000000000000000, -0.0001462600000000, -0.0001505100000000 ] - [ 0.0000000000000000, 0.0030145000000000, 0.0037124500000000 ] - [ 0.0000000000000000, 0.0009047900000000, 0.0013968400000000 ] - [ 0.0009981600000000, 0.0010358500000000, 0.0021900900000000 ] - [ 0.0000565800000000, -0.0000053300000000, 0.0006392800000000 ] - [ 0.0011633000000000, -0.0009070200000000, 0.0062432400000000 ] - [ 0.0009830000000000, -0.0002647900000000, 0.0015739300000000 ] - [ -0.0009981600000000, 0.0010358500000000, 0.0021900900000000 ] - [ -0.0000565800000000, -0.0000053300000000, 0.0006392800000000 ] - [ 0.0014498100000000, 0.0002694900000000, -0.0007693100000000 ] - [ -0.0000332100000000, 0.0000608200000000, 0.0006007100000000 ] - [ 0.0000000000000000, 0.0096527600000000, -0.0028646600000000 ] - [ 0.0000000000000000, 0.0000011900000000, 0.0007378300000000 ] - [ -0.0011633000000000, -0.0009070200000000, 0.0062432400000000 ] - [ -0.0009830000000000, -0.0002647900000000, 0.0015739300000000 ] - [ -0.0014498100000000, 0.0002694900000000, -0.0007693100000000 ] - [ 0.0000332100000000, 0.0000608200000000, 0.0006007100000000 ] - [ 0.0000000000000000, 0.0013174000000000, -0.0021513300000000 ] - [ 0.0000000000000000, 0.0009370700000000, -0.0004578200000000 ] - [ 0.0000000000000000, -0.0033898100000000, 0.0199968800000000 ] - [ 0.0000000000000000, -0.0009088100000000, 0.0017880100000000 ] - [ -0.0001193300000000, -0.0004251900000000, -0.0014403800000000 ] - [ 0.0000162600000000, -0.0002804900000000, -0.0011709300000000 ] - [ 0.0003100600000000, 0.0012147000000000, -0.0007524800000000 ] - [ 0.0011772800000000, 0.0005918800000000, 0.0001932100000000 ] - [ 0.0000000000000000, 0.0010357700000000, -0.0016466400000000 ] - [ 0.0000000000000000, 0.0003458600000000, -0.0005915000000000 ] - [ 0.0003206900000000, 0.0001815700000000, -0.0017494500000000 ] - [ 0.0006181300000000, 0.0000136500000000, -0.0011747000000000 ] - [ 0.0001193300000000, -0.0004251900000000, -0.0014403800000000 ] - [ -0.0000162600000000, -0.0002804900000000, -0.0011709300000000 ] - [ -0.0003100600000000, 0.0012147000000000, -0.0007524800000000 ] - [ -0.0011772800000000, 0.0005918800000000, 0.0001932100000000 ] - [ -0.0003206900000000, 0.0001815700000000, -0.0017494500000000 ] - [ -0.0006181300000000, 0.0000136500000000, -0.0011747000000000 ] - [ 0.0000000000000000, -0.0001305300000000, -0.0009931300000000 ] - [ 0.0000000000000000, -0.0004951400000000, -0.0005182400000000 ] - [ 0.0000000000000000, 0.0000826700000000, -0.0009200600000000 ] - [ 0.0000000000000000, 0.0000753400000000, -0.0000986400000000 ] - [ -0.0010943200000000, 0.0004543800000000, -0.0013487500000000 ] - [ 0.0010943200000000, 0.0004543800000000, -0.0013487500000000 ] - [ 0.0011369400000000, 0.0036167500000000, 0.0074315400000000 ] - [ -0.0011369400000000, 0.0036167500000000, 0.0074315400000000 ] - [ -0.0042054100000000, -0.0033397300000000, 0.0055484400000000 ] - [ 0.0023964400000000, -0.0003756300000000, 0.0014158000000000 ] - [ 0.0026934400000000, -0.0008295300000000, 0.0055522700000000 ] - [ 0.0014594400000000, -0.0010423400000000, 0.0014710500000000 ] - [ 0.0042054100000000, -0.0033397300000000, 0.0055484400000000 ] - [ -0.0023964400000000, -0.0003756300000000, 0.0014158000000000 ] - [ -0.0001545700000000, -0.0008043900000000, -0.0006777500000000 ] - [ 0.0019091100000000, -0.0006547200000000, -0.0003630700000000 ] - [ -0.0013374200000000, -0.0021115700000000, 0.0011459300000000 ] - [ 0.0013374200000000, -0.0021115700000000, 0.0011459300000000 ] - [ -0.0026934400000000, -0.0008295300000000, 0.0055522700000000 ] - [ -0.0014594400000000, -0.0010423400000000, 0.0014710500000000 ] - [ 0.0001545700000000, -0.0008043900000000, -0.0006777500000000 ] - [ -0.0019091100000000, -0.0006547200000000, -0.0003630700000000 ] - [ -0.0001476800000000, 0.0007099200000000, -0.0005244000000000 ] - [ 0.0001476800000000, 0.0007099200000000, -0.0005244000000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0048469800000000, 0.0030335400000000, -0.0002401700000000 ] - [ 0.0048469800000000, 0.0030335400000000, -0.0002401700000000 ] - [ 0.0043047200000000, -0.0030262700000000, 0.0010147300000000 ] - [ -0.0043047200000000, -0.0030262700000000, 0.0010147300000000 ] - [ 0.0000000000000000, -0.0019144900000000, 0.0597728300000000 ] - [ 0.0000000000000000, 0.0000083700000000, 0.0022220900000000 ] - [ -0.0005535900000000, 0.0008353900000000, -0.0004432200000000 ] - [ 0.0005535900000000, 0.0008353900000000, -0.0004432200000000 ] - [ 0.0000596600000000, 0.0000131600000000, -0.0005180500000000 ] - [ -0.0000596600000000, 0.0000131600000000, -0.0005180500000000 ] - [ 0.0000000000000000, -0.0021237300000000, -0.0080249600000000 ] - [ 0.0000000000000000, -0.0008899200000000, -0.0003198500000000 ] - [ -0.0005362700000000, 0.0000994300000000, -0.0026126700000000 ] - [ 0.0005362700000000, 0.0000994300000000, -0.0026126700000000 ] - [ 0.0000000000000000, 0.0001946800000000, -0.0017266000000000 ] - [ 0.0000000000000000, -0.0000143800000000, -0.0009093200000000 ] - [ 0.0000000000000000, 0.0000655700000000, -0.0015128900000000 ] - [ 0.0000000000000000, 0.0000544100000000, -0.0009976500000000 ] - [ 0.0000000000000000, -0.0026529000000000, -0.0012909900000000 ] - [ 0.0000000000000000, -0.0003181300000000, -0.0000329800000000 ] - [ 0.0000000000000000, -0.0059324600000000, -0.0005058000000000 ] - [ 0.0000000000000000, -0.0005116700000000, 0.0002212900000000 ] - [ 0.0000000000000000, 0.0111300600000000, 0.0021943300000000 ] - [ 0.0000000000000000, 0.0006174000000000, 0.0020130000000000 ] - [ 0.0001336600000000, -0.0004022000000000, 0.0023713900000000 ] - [ -0.0001336600000000, -0.0004022000000000, 0.0023713900000000 ] - [ 0.0000000000000000, 0.0010610900000000, -0.0095681700000000 ] - [ 0.0000000000000000, 0.0013866600000000, -0.0004536800000000 ] - [ 0.0000000000000000, -0.0000926900000000, -0.0011185900000000 ] - [ 0.0000000000000000, 0.0001330300000000, -0.0004199600000000 ] - [ 0.0004903000000000, -0.0009133700000000, -0.0003632400000000 ] - [ -0.0004903000000000, -0.0009133700000000, -0.0003632400000000 ] - [ 0.0000000000000000, -0.0002088500000000, -0.0028784900000000 ] - [ 0.0000000000000000, -0.0003350500000000, -0.0021609400000000 ] - [ -0.0001064200000000, -0.0001171900000000, -0.0014559800000000 ] - [ 0.0001064200000000, -0.0001171900000000, -0.0014559800000000 ] - [ 0.0004028800000000, 0.0003807500000000, -0.0014344500000000 ] - [ -0.0004028800000000, 0.0003807500000000, -0.0014344500000000 ] - [ 0.0050416300000000, 0.0019864200000000, -0.0020697500000000 ] - [ -0.0050416300000000, 0.0019864200000000, -0.0020697500000000 ] - [ 0.0001979900000000, -0.0000649300000000, -0.0020375100000000 ] - [ -0.0001979900000000, -0.0000649300000000, -0.0020375100000000 ] - [ 0.0018658600000000, -0.0004240700000000, -0.0043815700000000 ] - [ -0.0018658600000000, -0.0004240700000000, -0.0043815700000000 ] - [ 0.0000000000000000, 0.0055444600000000, 0.0113810100000000 ] - [ 0.0000000000000000, -0.0010443500000000, 0.0033369100000000 ] - [ 0.0000000000000000, 0.0077027500000000, -0.0051492700000000 ] - [ 0.0000000000000000, -0.0002953700000000, -0.0013460200000000 ] - [ 0.0000000000000000, 0.0003381300000000, -0.0024022500000000 ] - [ 0.0000000000000000, 0.0001061000000000, -0.0012204200000000 ] - [ 0.0000000000000000, 0.0015363000000000, -0.0050256100000000 ] - [ 0.0000000000000000, 0.0007951400000000, -0.0031902300000000 ] - [ -0.0083326300000000, -0.0057406100000000, 0.0139031400000000 ] - [ 0.0083326300000000, -0.0057406100000000, 0.0139031400000000 ] - [ -0.0058880100000000, -0.0030081100000000, -0.0060230300000000 ] - [ 0.0058880100000000, -0.0030081100000000, -0.0060230300000000 ] - [ -0.0003456500000000, -0.0000775000000000, -0.0003052400000000 ] - [ 0.0003456500000000, -0.0000775000000000, -0.0003052400000000 ] - [ 0.0007872700000000, 0.0002421600000000, 0.0010046900000000 ] - [ 0.0007157100000000, 0.0002660800000000, 0.0007152100000000 ] - [ -0.0013711700000000, 0.0008375800000000, 0.0024622600000000 ] - [ 0.0008820900000000, 0.0002714400000000, 0.0008152600000000 ] - [ -0.0001819200000000, 0.0007330900000000, 0.0013196200000000 ] - [ 0.0001819200000000, 0.0007330900000000, 0.0013196200000000 ] - [ -0.0001925200000000, 0.0004488100000000, 0.0013559600000000 ] - [ 0.0007336700000000, 0.0000788000000000, 0.0009352400000000 ] - [ -0.0007872700000000, 0.0002421600000000, 0.0010046900000000 ] - [ -0.0007157100000000, 0.0002660800000000, 0.0007152100000000 ] - [ 0.0013711700000000, 0.0008375800000000, 0.0024622600000000 ] - [ -0.0008820900000000, 0.0002714400000000, 0.0008152600000000 ] - [ 0.0001925200000000, 0.0004488100000000, 0.0013559600000000 ] - [ -0.0007336700000000, 0.0000788000000000, 0.0009352400000000 ] - [ 0.0000133200000000, -0.0012685300000000, 0.0016215800000000 ] - [ -0.0000133200000000, -0.0012685300000000, 0.0016215800000000 ] - [ -0.0008774900000000, 0.0005945600000000, 0.0010899200000000 ] - [ 0.0008774900000000, 0.0005945600000000, 0.0010899200000000 ] - [ 0.0000000000000000, -0.0020200500000000, 0.0006503500000000 ] - [ 0.0000000000000000, 0.0001605600000000, 0.0000604500000000 ] - [ 0.0000000000000000, -0.0014416900000000, -0.0029034700000000 ] - [ 0.0000000000000000, 0.0006296200000000, -0.0006123500000000 ] - [ 0.0000043700000000, -0.0010809900000000, -0.0028314600000000 ] - [ 0.0009364900000000, -0.0000452400000000, -0.0012459500000000 ] - [ -0.0005103800000000, 0.0011633300000000, -0.0067248100000000 ] - [ -0.0003487700000000, 0.0004281200000000, -0.0020514800000000 ] - [ -0.0000043700000000, -0.0010809900000000, -0.0028314600000000 ] - [ -0.0009364900000000, -0.0000452400000000, -0.0012459500000000 ] - [ -0.0007211400000000, -0.0003425300000000, 0.0023770900000000 ] - [ 0.0007592000000000, -0.0001282300000000, 0.0010098700000000 ] - [ 0.0000000000000000, -0.0102953200000000, 0.0030079300000000 ] - [ 0.0000000000000000, -0.0006711400000000, -0.0004950800000000 ] - [ 0.0005103800000000, 0.0011633300000000, -0.0067248100000000 ] - [ 0.0003487700000000, 0.0004281200000000, -0.0020514800000000 ] - [ 0.0007211400000000, -0.0003425300000000, 0.0023770900000000 ] - [ -0.0007592000000000, -0.0001282300000000, 0.0010098700000000 ] - [ 0.0000000000000000, 0.0002805200000000, 0.0034428200000000 ] - [ 0.0000000000000000, 0.0006731800000000, 0.0017304400000000 ] - [ 0.0000000000000000, 0.0013226400000000, -0.0174273300000000 ] - [ 0.0000000000000000, -0.0007055100000000, -0.0005005200000000 ] - [ 0.0007560000000000, 0.0002642900000000, 0.0009558100000000 ] - [ 0.0006231900000000, 0.0001196700000000, 0.0006883500000000 ] - [ 0.0004134900000000, -0.0011408100000000, 0.0023612400000000 ] - [ -0.0004497200000000, -0.0005215600000000, 0.0014219300000000 ] - [ 0.0000000000000000, -0.0003564300000000, 0.0018877600000000 ] - [ 0.0000000000000000, 0.0003234300000000, 0.0008366300000000 ] - [ 0.0006737000000000, -0.0001299000000000, 0.0011446200000000 ] - [ 0.0003777800000000, 0.0000366300000000, 0.0005710700000000 ] - [ -0.0007560000000000, 0.0002642900000000, 0.0009558100000000 ] - [ -0.0006231900000000, 0.0001196700000000, 0.0006883500000000 ] - [ -0.0004134900000000, -0.0011408100000000, 0.0023612400000000 ] - [ 0.0004497200000000, -0.0005215600000000, 0.0014219300000000 ] - [ -0.0006737000000000, -0.0001299000000000, 0.0011446200000000 ] - [ -0.0003777800000000, 0.0000366300000000, 0.0005710700000000 ] - [ 0.0000000000000000, -0.0014022900000000, 0.0017723800000000 ] - [ 0.0000000000000000, -0.0010384500000000, 0.0012973700000000 ] - [ 0.0000000000000000, -0.0000908300000000, 0.0008343000000000 ] - [ 0.0000000000000000, -0.0000839200000000, 0.0000159100000000 ] - [ 0.0011038700000000, -0.0004352300000000, 0.0012598400000000 ] - [ -0.0011038700000000, -0.0004352300000000, 0.0012598400000000 ] - [ -0.0011798400000000, -0.0021208600000000, -0.0066438900000000 ] - [ 0.0011798400000000, -0.0021208600000000, -0.0066438900000000 ] - [ 0.0049940400000000, 0.0031656600000000, -0.0064179900000000 ] - [ -0.0014038100000000, 0.0003281600000000, -0.0020247000000000 ] - [ -0.0020606000000000, 0.0009819900000000, -0.0060199900000000 ] - [ -0.0008163500000000, 0.0012031200000000, -0.0019468600000000 ] - [ -0.0049940400000000, 0.0031656600000000, -0.0064179900000000 ] - [ 0.0014038100000000, 0.0003281600000000, -0.0020247000000000 ] - [ 0.0008924200000000, 0.0007416400000000, 0.0022895000000000 ] - [ -0.0011732700000000, 0.0005842000000000, 0.0019695400000000 ] - [ 0.0013418400000000, 0.0014405000000000, -0.0009037500000000 ] - [ -0.0013418400000000, 0.0014405000000000, -0.0009037500000000 ] - [ 0.0020606000000000, 0.0009819900000000, -0.0060199900000000 ] - [ 0.0008163500000000, 0.0012031200000000, -0.0019468600000000 ] - [ -0.0008924200000000, 0.0007416400000000, 0.0022895000000000 ] - [ 0.0011732700000000, 0.0005842000000000, 0.0019695400000000 ] - [ 0.0001486800000000, 0.0008973700000000, 0.0017957100000000 ] - [ -0.0001486800000000, 0.0008973700000000, 0.0017957100000000 ]- atom: 7 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0046655600000000, -0.0001443600000000, -0.0004113900000000 ] - [ 0.0027862800000000, -0.0001482600000000, -0.0004056900000000 ] - [ -0.0008677300000000, 0.0001604000000000, 0.0003008000000000 ] - [ 0.0008394200000000, 0.0001613600000000, 0.0003004500000000 ] - [ 0.0000017900000000, -0.0008363800000000, 0.0011471500000000 ] - [ 0.0000040100000000, 0.0005358700000000, 0.0000383400000000 ] - [ -0.0575009600000000, 0.0013847900000000, -0.0001979800000000 ] - [ 0.0052796300000000, 0.0009666500000000, -0.0000724700000000 ] - [ -0.0006477700000000, 0.0001534000000000, 0.0006081900000000 ] - [ 0.0005523300000000, 0.0001494000000000, 0.0005880500000000 ] - [ -0.0000001100000000, -0.0009078000000000, -0.0000065300000000 ] - [ 0.0000021600000000, -0.0010259700000000, -0.0001412900000000 ] - [ -0.0037684800000000, 0.0000164800000000, -0.0008972100000000 ] - [ 0.0021186400000000, 0.0000094400000000, -0.0009004800000000 ] - [ 0.0012387200000000, -0.0016087700000000, -0.0035849100000000 ] - [ 0.0012423600000000, 0.0012772400000000, 0.0041613700000000 ] - [ -0.0000017800000000, 0.0000620800000000, -0.0005718000000000 ] - [ 0.0000033600000000, 0.0002331100000000, -0.0002426500000000 ] - [ -0.0000057300000000, -0.0000915300000000, -0.0001512800000000 ] - [ -0.0000054200000000, 0.0000679900000000, -0.0016382400000000 ] - [ 0.0036283400000000, 0.0047943100000000, 0.0046716700000000 ] - [ 0.0036185200000000, -0.0050437900000000, -0.0054405500000000 ] - [ -0.0000050100000000, 0.0004774400000000, 0.0006498300000000 ] - [ -0.0000026800000000, -0.0001532900000000, -0.0000474100000000 ] - [ -0.0030106900000000, -0.0001437900000000, 0.0005833700000000 ] - [ 0.0016776300000000, -0.0001485900000000, 0.0005936800000000 ] - [ 0.0004201500000000, -0.0001878600000000, -0.0000995800000000 ] - [ 0.0004305000000000, 0.0021149600000000, -0.0000506200000000 ] - [ -0.0000031400000000, 0.0001539600000000, 0.0001001200000000 ] - [ 0.0000011700000000, 0.0001424500000000, 0.0010823700000000 ] - [ -0.0002008400000000, -0.0009650300000000, -0.0000705800000000 ] - [ 0.0002011500000000, -0.0009652400000000, -0.0000727700000000 ] - [ 0.0055604400000000, 0.0051041300000000, -0.0082582200000000 ] - [ 0.0055411000000000, -0.0050272700000000, 0.0063880900000000 ] - [ -0.0015637600000000, -0.0001831600000000, 0.0003120000000000 ] - [ 0.0010819200000000, -0.0001598700000000, 0.0002951500000000 ] - [ -0.0003078900000000, 0.0001467600000000, -0.0004053300000000 ] - [ 0.0003157700000000, 0.0001452800000000, -0.0004072500000000 ] - [ -0.0002521500000000, -0.0000117800000000, -0.0008966100000000 ] - [ 0.0002536800000000, -0.0000129500000000, -0.0008940300000000 ] - [ -0.0011904800000000, 0.0003268600000000, 0.0006545300000000 ] - [ 0.0011982500000000, 0.0003252200000000, 0.0006509700000000 ] - [ -0.0003248900000000, 0.0004685200000000, -0.0018049600000000 ] - [ 0.0003114700000000, 0.0004675700000000, -0.0018078300000000 ] - [ 0.0035456300000000, -0.0030934900000000, 0.0072997500000000 ] - [ 0.0035506900000000, 0.0024378700000000, -0.0059687700000000 ] - [ 0.0225299800000000, -0.0199499600000000, 0.0069683300000000 ] - [ 0.0222687900000000, 0.0187345300000000, -0.0104914500000000 ] - [ -0.0000350900000000, 0.0006140800000000, -0.0003176800000000 ] - [ -0.0000196300000000, 0.0000365800000000, 0.0016222400000000 ] - [ -0.0000024800000000, 0.0005239500000000, -0.0019866700000000 ] - [ 0.0000016200000000, 0.0004139400000000, -0.0016223500000000 ] - [ -0.0019907000000000, -0.0003393700000000, 0.0006321400000000 ] - [ 0.0021371000000000, -0.0003224000000000, 0.0006544800000000 ] - [ -0.0101428900000000, -0.0005354800000000, -0.0018016200000000 ] - [ 0.0034806700000000, -0.0004645200000000, -0.0018054600000000 ] - [ 0.0003935600000000, -0.0008040900000000, 0.0006388300000000 ] - [ -0.0004465100000000, -0.0008040200000000, 0.0006368600000000 ] - [ 0.0012051700000000, 0.0003063000000000, 0.0005499900000000 ] - [ -0.0006866200000000, -0.0004712000000000, -0.0011175800000000 ] - [ 0.0005862700000000, 0.0001171700000000, 0.0007134800000000 ] - [ 0.0001394800000000, -0.0000486500000000, 0.0008925200000000 ] - [ 0.0001452000000000, 0.0003303400000000, 0.0001211100000000 ] - [ -0.0001504200000000, 0.0003334800000000, 0.0001249600000000 ] - [ 0.0007315400000000, -0.0000185700000000, -0.0002661000000000 ] - [ 0.0002584700000000, 0.0000695000000000, -0.0003159400000000 ] - [ -0.0013205400000000, 0.0003070000000000, 0.0006383400000000 ] - [ 0.0005664300000000, -0.0004746500000000, -0.0010315200000000 ] - [ -0.0005843200000000, 0.0001154700000000, 0.0007203700000000 ] - [ -0.0001358100000000, -0.0000518200000000, 0.0009012900000000 ] - [ -0.0007291100000000, -0.0000158700000000, -0.0002804100000000 ] - [ -0.0002586300000000, 0.0000702800000000, -0.0003356700000000 ] - [ 0.0002070300000000, -0.0007598800000000, 0.0003851300000000 ] - [ -0.0002461000000000, -0.0007625400000000, 0.0003888800000000 ] - [ 0.0000786400000000, -0.0000059300000000, -0.0000441600000000 ] - [ -0.0000769200000000, -0.0000079600000000, -0.0000448000000000 ] - [ -0.0056627800000000, 0.0017199400000000, -0.0008842800000000 ] - [ -0.0059060300000000, -0.0017288700000000, 0.0007962300000000 ] - [ -0.0002739200000000, -0.0002576400000000, -0.0014699500000000 ] - [ -0.0002754600000000, 0.0017875500000000, 0.0022440800000000 ] - [ -0.0021397100000000, 0.0003370900000000, -0.0027109100000000 ] - [ 0.0018670200000000, -0.0013915500000000, 0.0035222600000000 ] - [ -0.0015807100000000, 0.0015498200000000, -0.0016674300000000 ] - [ 0.0016058300000000, -0.0013987700000000, 0.0015091700000000 ] - [ 0.0009714400000000, 0.0012794800000000, -0.0040389500000000 ] - [ -0.0031266400000000, -0.0003814800000000, 0.0020961100000000 ] - [ -0.0044467200000000, 0.0021639400000000, 0.0029444700000000 ] - [ 0.0039641500000000, -0.0006706300000000, 0.0003106500000000 ] - [ -0.0009514800000000, 0.0027376100000000, -0.0025598300000000 ] - [ -0.0009540200000000, -0.0033935500000000, 0.0027954100000000 ] - [ 0.0009721700000000, 0.0015656700000000, -0.0019954000000000 ] - [ -0.0022237500000000, -0.0013921800000000, 0.0011825300000000 ] - [ 0.0033900900000000, 0.0004756000000000, 0.0013081000000000 ] - [ -0.0051592700000000, -0.0022182600000000, -0.0013204900000000 ] - [ -0.0001092400000000, 0.0016709200000000, 0.0013989200000000 ] - [ -0.0001137300000000, -0.0000580500000000, -0.0001198200000000 ] - [ -0.0000025300000000, -0.0007919000000000, 0.0003141900000000 ] - [ -0.0000038600000000, -0.0008155100000000, 0.0009618800000000 ] - [ -0.0000427500000000, -0.0001714100000000, 0.0000769700000000 ] - [ 0.0007182000000000, 0.0000400100000000, -0.0004916400000000 ] - [ 0.0002117800000000, 0.0000028400000000, 0.0008338700000000 ] - [ 0.0005103000000000, 0.0000624100000000, 0.0007787000000000 ] - [ 0.0000019800000000, 0.0002964400000000, 0.0003189700000000 ] - [ 0.0000002500000000, 0.0003720400000000, -0.0000754600000000 ] - [ 0.0002999500000000, 0.0000871800000000, -0.0000972100000000 ] - [ 0.0006868500000000, -0.0000265700000000, -0.0005068100000000 ] - [ 0.0000904000000000, -0.0002003900000000, 0.0000051900000000 ] - [ -0.0006872600000000, 0.0000137400000000, -0.0005494200000000 ] - [ -0.0002100600000000, 0.0000033500000000, 0.0008362300000000 ] - [ -0.0005127300000000, 0.0000637600000000, 0.0007797700000000 ] - [ -0.0003004800000000, 0.0000807700000000, -0.0000994800000000 ] - [ -0.0006959900000000, -0.0000364500000000, -0.0005067600000000 ] - [ -0.0000179900000000, -0.0011004500000000, 0.0015396800000000 ] - [ -0.0000248300000000, -0.0004311500000000, -0.0007544400000000 ] - [ 0.0000017900000000, -0.0000779200000000, -0.0001482100000000 ] - [ 0.0000010000000000, 0.0000639900000000, 0.0000583900000000 ] - [ 0.0016898500000000, 0.0000187400000000, -0.0000448300000000 ] - [ -0.0009634800000000, 0.0000068700000000, -0.0000431400000000 ] - [ 0.0004338100000000, 0.0007713700000000, 0.0003934200000000 ] - [ -0.0004042000000000, 0.0007628500000000, 0.0003869000000000 ] - [ 0.0019477200000000, 0.0002241800000000, -0.0004677700000000 ] - [ -0.0007791800000000, -0.0001121200000000, -0.0001612900000000 ] - [ 0.0013717000000000, -0.0003920100000000, -0.0004734900000000 ] - [ -0.0007725500000000, 0.0005675500000000, 0.0000612100000000 ] - [ -0.0017702900000000, 0.0000579100000000, -0.0004403500000000 ] - [ 0.0009417100000000, -0.0002637900000000, -0.0001230900000000 ] - [ 0.0037999700000000, -0.0048776400000000, -0.0007120400000000 ] - [ -0.0018345100000000, 0.0009747800000000, 0.0016105900000000 ] - [ 0.0037572900000000, -0.0003194500000000, 0.0001275700000000 ] - [ -0.0012212500000000, -0.0003363800000000, 0.0001226800000000 ] - [ -0.0014102400000000, -0.0004072600000000, -0.0005475900000000 ] - [ 0.0007244200000000, 0.0005500000000000, -0.0000012200000000 ] - [ -0.0025598400000000, -0.0010480200000000, 0.0000056200000000 ] - [ 0.0030343500000000, 0.0048218100000000, 0.0023242400000000 ] - [ 0.0069661200000000, 0.0008056200000000, 0.0006175300000000 ] - [ -0.0018068900000000, 0.0008034900000000, 0.0006427700000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0080254800000000, -0.0048836100000000 ] - [ 0.0000000000000000, 0.0009285200000000, -0.0005239400000000 ] - [ 0.0000000000000000, 0.0006934300000000, -0.0003016700000000 ] - [ 0.0000000000000000, 0.0004459900000000, -0.0003475000000000 ] - [ 0.0005604800000000, 0.0010862700000000, 0.0007245100000000 ] - [ -0.0005604800000000, 0.0010862700000000, 0.0007245100000000 ] - [ 0.0000000000000000, -0.0573610300000000, -0.0007625500000000 ] - [ 0.0000000000000000, -0.0005055000000000, 0.0004547200000000 ] - [ 0.0000000000000000, -0.0009515200000000, -0.0005523200000000 ] - [ 0.0000000000000000, -0.0002217600000000, 0.0006713500000000 ] - [ 0.0000583600000000, -0.0007915900000000, -0.0000774100000000 ] - [ -0.0000583600000000, -0.0007915900000000, -0.0000774100000000 ] - [ 0.0000000000000000, 0.0073276500000000, 0.0028644700000000 ] - [ 0.0000000000000000, 0.0009587600000000, -0.0001874700000000 ] - [ -0.0011297800000000, -0.0004088400000000, 0.0033811500000000 ] - [ 0.0011297800000000, -0.0004088400000000, 0.0033811500000000 ] - [ 0.0001027700000000, -0.0000904200000000, -0.0003904400000000 ] - [ -0.0001027700000000, -0.0000904200000000, -0.0003904400000000 ] - [ 0.0000820500000000, -0.0000728800000000, -0.0015771300000000 ] - [ -0.0000820500000000, -0.0000728800000000, -0.0015771300000000 ] - [ 0.0048541300000000, -0.0010775200000000, 0.0020994000000000 ] - [ -0.0048541300000000, -0.0010775200000000, 0.0020994000000000 ] - [ 0.0003401100000000, -0.0002959300000000, 0.0005405500000000 ] - [ -0.0003401100000000, -0.0002959300000000, 0.0005405500000000 ] - [ 0.0000000000000000, -0.0031660500000000, 0.0004920600000000 ] - [ 0.0000000000000000, -0.0009746900000000, 0.0001719000000000 ] - [ 0.0011570500000000, 0.0042975900000000, -0.0000135700000000 ] - [ -0.0011570500000000, 0.0042975900000000, -0.0000135700000000 ] - [ 0.0001533500000000, 0.0006247300000000, 0.0006454300000000 ] - [ -0.0001533500000000, 0.0006247300000000, 0.0006454300000000 ] - [ 0.0000000000000000, -0.0011504600000000, -0.0003449800000000 ] - [ 0.0000000000000000, -0.0011843700000000, -0.0003371600000000 ] - [ 0.0052729800000000, -0.0010984800000000, -0.0033342700000000 ] - [ -0.0052729800000000, -0.0010984800000000, -0.0033342700000000 ] - [ 0.0000000000000000, 0.0036939800000000, -0.0053786500000000 ] - [ 0.0000000000000000, 0.0002283000000000, 0.0001610500000000 ] - [ 0.0000000000000000, 0.0004281100000000, -0.0006843400000000 ] - [ 0.0000000000000000, 0.0003611400000000, -0.0005089700000000 ] - [ 0.0000000000000000, 0.0000596000000000, -0.0002877500000000 ] - [ 0.0000000000000000, 0.0001046700000000, -0.0008854400000000 ] - [ 0.0000000000000000, 0.0005488700000000, 0.0010517200000000 ] - [ 0.0000000000000000, 0.0006134100000000, 0.0011251700000000 ] - [ 0.0000000000000000, 0.0006094500000000, -0.0019096300000000 ] - [ 0.0000000000000000, 0.0006498800000000, -0.0018887600000000 ] - [ -0.0025873000000000, 0.0011303200000000, -0.0033932600000000 ] - [ 0.0025873000000000, 0.0011303200000000, -0.0033932600000000 ] - [ -0.0203057400000000, -0.0023564900000000, -0.0078009900000000 ] - [ 0.0203057400000000, -0.0023564900000000, -0.0078009900000000 ] - [ 0.0007988700000000, 0.0001247800000000, -0.0001199500000000 ] - [ -0.0007988700000000, 0.0001247800000000, -0.0001199500000000 ] - [ 0.0001768100000000, 0.0002676300000000, -0.0022571100000000 ] - [ -0.0001768100000000, 0.0002676300000000, -0.0022571100000000 ] - [ 0.0000000000000000, 0.0042576100000000, 0.0078149100000000 ] - [ 0.0000000000000000, -0.0000864400000000, 0.0009761800000000 ] - [ 0.0000000000000000, 0.0302057100000000, 0.0046287600000000 ] - [ 0.0000000000000000, 0.0003675500000000, -0.0012512600000000 ] - [ 0.0000000000000000, -0.0006508800000000, 0.0008288900000000 ] - [ 0.0000000000000000, -0.0006762700000000, 0.0011136100000000 ] - [ -0.0000144700000000, 0.0000240100000000, -0.0008342700000000 ] - [ -0.0000344900000000, -0.0001719500000000, -0.0008123300000000 ] - [ 0.0002551300000000, -0.0000555300000000, 0.0010073700000000 ] - [ 0.0003509100000000, -0.0000438700000000, 0.0009971600000000 ] - [ 0.0000000000000000, 0.0005980400000000, 0.0002190700000000 ] - [ 0.0000000000000000, 0.0004375700000000, 0.0000663400000000 ] - [ 0.0005263700000000, -0.0000450400000000, -0.0003942500000000 ] - [ 0.0006108500000000, -0.0000765900000000, -0.0004116100000000 ] - [ 0.0000344900000000, -0.0001719500000000, -0.0008123300000000 ] - [ 0.0000144700000000, 0.0000240100000000, -0.0008342700000000 ] - [ -0.0003509100000000, -0.0000438700000000, 0.0009971600000000 ] - [ -0.0002551300000000, -0.0000555300000000, 0.0010073700000000 ] - [ -0.0006108500000000, -0.0000765900000000, -0.0004116100000000 ] - [ -0.0005263700000000, -0.0000450400000000, -0.0003942500000000 ] - [ 0.0000000000000000, -0.0016235200000000, 0.0001475700000000 ] - [ 0.0000000000000000, -0.0010408900000000, 0.0002227600000000 ] - [ 0.0000000000000000, -0.0003008400000000, -0.0001876400000000 ] - [ 0.0000000000000000, -0.0002377500000000, -0.0000778800000000 ] - [ 0.0000290100000000, 0.0078680400000000, -0.0017635700000000 ] - [ -0.0000290100000000, 0.0078680400000000, -0.0017635700000000 ] - [ 0.0001058400000000, 0.0019657900000000, 0.0016876100000000 ] - [ -0.0001058400000000, 0.0019657900000000, 0.0016876100000000 ] - [ 0.0019649400000000, 0.0007525900000000, 0.0010162600000000 ] - [ -0.0014453500000000, 0.0021061900000000, 0.0028585500000000 ] - [ 0.0013058000000000, -0.0009490600000000, 0.0006722000000000 ] - [ 0.0006113700000000, -0.0008171900000000, 0.0010638200000000 ] - [ 0.0014453500000000, 0.0021061900000000, 0.0028585500000000 ] - [ -0.0019649400000000, 0.0007525900000000, 0.0010162600000000 ] - [ 0.0028433200000000, -0.0003493000000000, -0.0006120000000000 ] - [ -0.0044414400000000, 0.0047186300000000, 0.0035126800000000 ] - [ 0.0008949800000000, -0.0022538600000000, 0.0012744800000000 ] - [ -0.0008949800000000, -0.0022538600000000, 0.0012744800000000 ] - [ -0.0006113700000000, -0.0008171900000000, 0.0010638200000000 ] - [ -0.0013058000000000, -0.0009490600000000, 0.0006722000000000 ] - [ 0.0044414400000000, 0.0047186300000000, 0.0035126800000000 ] - [ -0.0028433200000000, -0.0003493000000000, -0.0006120000000000 ] - [ 0.0001301800000000, -0.0006474200000000, 0.0005405300000000 ] - [ -0.0001301800000000, -0.0006474200000000, 0.0005405300000000 ] - [ -0.0001656100000000, -0.0009471100000000, 0.0005607900000000 ] - [ 0.0001656100000000, -0.0009471100000000, 0.0005607900000000 ] - [ 0.0000731700000000, -0.0002624600000000, -0.0001397700000000 ] - [ 0.0011807400000000, 0.0000627300000000, 0.0008309900000000 ] - [ 0.0002310900000000, 0.0000263900000000, 0.0008762300000000 ] - [ 0.0004141200000000, 0.0000909300000000, 0.0008170200000000 ] - [ -0.0000823600000000, 0.0002286400000000, 0.0003508900000000 ] - [ 0.0000823600000000, 0.0002286400000000, 0.0003508900000000 ] - [ 0.0002777100000000, 0.0001424600000000, 0.0000093700000000 ] - [ 0.0006988600000000, 0.0000007900000000, 0.0001097800000000 ] - [ -0.0011807400000000, 0.0000627300000000, 0.0008309900000000 ] - [ -0.0000731700000000, -0.0002624600000000, -0.0001397700000000 ] - [ -0.0004141200000000, 0.0000909300000000, 0.0008170200000000 ] - [ -0.0002310900000000, 0.0000263900000000, 0.0008762300000000 ] - [ -0.0006988600000000, 0.0000007900000000, 0.0001097800000000 ] - [ -0.0002777100000000, 0.0001424600000000, 0.0000093700000000 ] - [ -0.0003158300000000, -0.0003034500000000, 0.0007321600000000 ] - [ 0.0003158300000000, -0.0003034500000000, 0.0007321600000000 ] - [ -0.0000390500000000, 0.0003589800000000, 0.0002537700000000 ] - [ 0.0000390500000000, 0.0003589800000000, 0.0002537700000000 ] - [ 0.0000000000000000, -0.0085604300000000, 0.0014370000000000 ] - [ 0.0000000000000000, -0.0011123500000000, 0.0001654800000000 ] - [ 0.0000000000000000, -0.0017260700000000, -0.0012956500000000 ] - [ 0.0000000000000000, 0.0002570400000000, 0.0002249100000000 ] - [ -0.0011164600000000, -0.0029206500000000, -0.0027811900000000 ] - [ 0.0007322900000000, -0.0004054200000000, -0.0005628300000000 ] - [ -0.0007875300000000, 0.0007067400000000, -0.0021821500000000 ] - [ 0.0006466400000000, 0.0002145500000000, -0.0005179600000000 ] - [ -0.0007322900000000, -0.0004054200000000, -0.0005628300000000 ] - [ 0.0011164600000000, -0.0029206500000000, -0.0027811900000000 ] - [ -0.0024553500000000, -0.0071039000000000, 0.0013747800000000 ] - [ 0.0013635600000000, -0.0002879000000000, 0.0004490500000000 ] - [ 0.0000000000000000, 0.0039672800000000, 0.0037706400000000 ] - [ 0.0000000000000000, 0.0000847600000000, 0.0001566100000000 ] - [ -0.0006466400000000, 0.0002145500000000, -0.0005179600000000 ] - [ 0.0007875300000000, 0.0007067400000000, -0.0021821500000000 ] - [ -0.0013635600000000, -0.0002879000000000, 0.0004490500000000 ] - [ 0.0024553500000000, -0.0071039000000000, 0.0013747800000000 ] - [ 0.0000000000000000, 0.0082791500000000, -0.0031393600000000 ] - [ 0.0000000000000000, 0.0014669800000000, 0.0001503700000000 ]- atom: 7 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0083673500000000, 0.0041333400000000 ] - [ 0.0000000000000000, -0.0012246700000000, -0.0002918100000000 ] - [ 0.0000000000000000, -0.0003784700000000, 0.0008997600000000 ] - [ 0.0000000000000000, -0.0001298300000000, 0.0009441600000000 ] - [ -0.0005558200000000, -0.0013745000000000, 0.0004660000000000 ] - [ 0.0005558200000000, -0.0013745000000000, 0.0004660000000000 ] - [ 0.0000000000000000, 0.0594451800000000, 0.0003414700000000 ] - [ 0.0000000000000000, 0.0024338300000000, -0.0006116700000000 ] - [ 0.0000000000000000, 0.0012494500000000, 0.0017646400000000 ] - [ 0.0000000000000000, 0.0005147100000000, 0.0005161300000000 ] - [ -0.0000593300000000, -0.0011387600000000, -0.0000757100000000 ] - [ 0.0000593300000000, -0.0011387600000000, -0.0000757100000000 ] - [ 0.0000000000000000, -0.0073541600000000, -0.0047164000000000 ] - [ 0.0000000000000000, -0.0009276400000000, -0.0016028500000000 ] - [ 0.0011336900000000, 0.0001046500000000, -0.0027903900000000 ] - [ -0.0011336900000000, 0.0001046500000000, -0.0027903900000000 ] - [ -0.0001048000000000, 0.0003900700000000, -0.0004250800000000 ] - [ 0.0001048000000000, 0.0003900700000000, -0.0004250800000000 ] - [ -0.0000815400000000, 0.0000449800000000, -0.0002134900000000 ] - [ 0.0000815400000000, 0.0000449800000000, -0.0002134900000000 ] - [ -0.0048415200000000, 0.0007580800000000, -0.0029149000000000 ] - [ 0.0048415200000000, 0.0007580800000000, -0.0029149000000000 ] - [ -0.0003387500000000, 0.0006095700000000, 0.0000594600000000 ] - [ 0.0003387500000000, 0.0006095700000000, 0.0000594600000000 ] - [ 0.0000000000000000, 0.0028711400000000, 0.0006770400000000 ] - [ 0.0000000000000000, 0.0006828900000000, 0.0010144700000000 ] - [ -0.0011452200000000, -0.0023595300000000, -0.0001401900000000 ] - [ 0.0011452200000000, -0.0023595300000000, -0.0001401900000000 ] - [ -0.0001536600000000, -0.0003365400000000, 0.0005398800000000 ] - [ 0.0001536600000000, -0.0003365400000000, 0.0005398800000000 ] - [ 0.0000000000000000, -0.0007775600000000, 0.0001943500000000 ] - [ 0.0000000000000000, -0.0007441300000000, 0.0001832400000000 ] - [ -0.0052807100000000, 0.0010891500000000, 0.0015394400000000 ] - [ 0.0052807100000000, 0.0010891500000000, 0.0015394400000000 ] - [ 0.0000000000000000, -0.0040081800000000, 0.0059292200000000 ] - [ 0.0000000000000000, -0.0005464700000000, 0.0004333900000000 ] - [ 0.0000000000000000, -0.0001315800000000, -0.0001292000000000 ] - [ 0.0000000000000000, -0.0000662700000000, -0.0003057900000000 ] - [ 0.0000000000000000, -0.0000884500000000, -0.0014992400000000 ] - [ 0.0000000000000000, -0.0001347500000000, -0.0009031200000000 ] - [ 0.0000000000000000, 0.0001018600000000, 0.0002521500000000 ] - [ 0.0000000000000000, 0.0000325800000000, 0.0001803600000000 ] - [ 0.0000000000000000, 0.0003283800000000, -0.0017079000000000 ] - [ 0.0000000000000000, 0.0002862600000000, -0.0017280200000000 ] - [ 0.0025824900000000, -0.0017641500000000, 0.0046904100000000 ] - [ -0.0025824900000000, -0.0017641500000000, 0.0046904100000000 ] - [ 0.0204158500000000, 0.0015116400000000, 0.0042185300000000 ] - [ -0.0204158500000000, 0.0015116400000000, 0.0042185300000000 ] - [ -0.0008033400000000, 0.0005176500000000, 0.0014310800000000 ] - [ 0.0008033400000000, 0.0005176500000000, 0.0014310800000000 ] - [ -0.0001783400000000, 0.0006678600000000, -0.0013565400000000 ] - [ 0.0001783400000000, 0.0006678600000000, -0.0013565400000000 ] - [ 0.0000000000000000, -0.0049105700000000, -0.0064885600000000 ] - [ 0.0000000000000000, -0.0005583800000000, 0.0003307600000000 ] - [ 0.0000000000000000, -0.0308021100000000, -0.0081157600000000 ] - [ 0.0000000000000000, -0.0013055900000000, -0.0023685100000000 ] - [ 0.0000000000000000, -0.0009611500000000, 0.0004489100000000 ] - [ 0.0000000000000000, -0.0009338400000000, 0.0001632100000000 ] - [ 0.0006481900000000, -0.0001851400000000, 0.0003678100000000 ] - [ 0.0006683600000000, 0.0000138200000000, 0.0003445000000000 ] - [ 0.0004705000000000, 0.0001170000000000, 0.0005993400000000 ] - [ 0.0003785100000000, 0.0001069800000000, 0.0006065300000000 ] - [ 0.0000000000000000, 0.0000846500000000, 0.0000289100000000 ] - [ 0.0000000000000000, 0.0002498200000000, 0.0001859100000000 ] - [ 0.0004808400000000, 0.0000864200000000, -0.0002086600000000 ] - [ 0.0003966600000000, 0.0001185400000000, -0.0001887900000000 ] - [ -0.0006683600000000, 0.0000138200000000, 0.0003445000000000 ] - [ -0.0006481900000000, -0.0001851400000000, 0.0003678100000000 ] - [ -0.0003785100000000, 0.0001069800000000, 0.0006065300000000 ] - [ -0.0004705000000000, 0.0001170000000000, 0.0005993400000000 ] - [ -0.0003966600000000, 0.0001185400000000, -0.0001887900000000 ] - [ -0.0004808400000000, 0.0000864200000000, -0.0002086600000000 ] - [ 0.0000000000000000, 0.0000962700000000, 0.0006416400000000 ] - [ 0.0000000000000000, -0.0004872300000000, 0.0005603400000000 ] - [ 0.0000000000000000, 0.0002883100000000, 0.0000933700000000 ] - [ 0.0000000000000000, 0.0002215400000000, -0.0000171200000000 ] - [ 0.0000105500000000, -0.0078928100000000, 0.0016765200000000 ] - [ -0.0000105500000000, -0.0078928100000000, 0.0016765200000000 ] - [ -0.0001052600000000, -0.0004336300000000, -0.0009024600000000 ] - [ 0.0001052600000000, -0.0004336300000000, -0.0009024600000000 ] - [ -0.0009551600000000, -0.0008013300000000, -0.0016200500000000 ] - [ 0.0024242400000000, -0.0021884600000000, -0.0034421800000000 ] - [ -0.0006687200000000, 0.0011002300000000, -0.0011389500000000 ] - [ 0.0000292800000000, 0.0009665600000000, -0.0015326300000000 ] - [ -0.0024242400000000, -0.0021884600000000, -0.0034421800000000 ] - [ 0.0009551600000000, -0.0008013300000000, -0.0016200500000000 ] - [ -0.0021126500000000, 0.0002797900000000, 0.0022158200000000 ] - [ 0.0049564000000000, -0.0051620500000000, -0.0019894600000000 ] - [ -0.0009005300000000, 0.0015537500000000, -0.0010216300000000 ] - [ 0.0009005300000000, 0.0015537500000000, -0.0010216300000000 ] - [ -0.0000292800000000, 0.0009665600000000, -0.0015326300000000 ] - [ 0.0006687200000000, 0.0011002300000000, -0.0011389500000000 ] - [ -0.0049564000000000, -0.0051620500000000, -0.0019894600000000 ] - [ 0.0021126500000000, 0.0002797900000000, 0.0022158200000000 ] - [ -0.0001355400000000, 0.0022555100000000, 0.0007418100000000 ] - [ 0.0001355400000000, 0.0022555100000000, 0.0007418100000000 ] - [ 0.0001650100000000, -0.0006632900000000, 0.0007148100000000 ] - [ -0.0001650100000000, -0.0006632900000000, 0.0007148100000000 ] - [ 0.0005636800000000, 0.0001085900000000, -0.0003274000000000 ] - [ -0.0005458600000000, -0.0002144400000000, -0.0012995200000000 ] - [ 0.0004985300000000, 0.0000371700000000, 0.0007264200000000 ] - [ 0.0003144000000000, -0.0000271200000000, 0.0007859800000000 ] - [ 0.0000826400000000, 0.0004607300000000, -0.0001020500000000 ] - [ -0.0000826400000000, 0.0004607300000000, -0.0001020500000000 ] - [ 0.0007323500000000, -0.0001013700000000, -0.0006141000000000 ] - [ 0.0003079700000000, 0.0000423800000000, -0.0007155400000000 ] - [ 0.0005458600000000, -0.0002144400000000, -0.0012995200000000 ] - [ -0.0005636800000000, 0.0001085900000000, -0.0003274000000000 ] - [ -0.0003144000000000, -0.0000271200000000, 0.0007859800000000 ] - [ -0.0004985300000000, 0.0000371700000000, 0.0007264200000000 ] - [ -0.0003079700000000, 0.0000423800000000, -0.0007155400000000 ] - [ -0.0007323500000000, -0.0001013700000000, -0.0006141000000000 ] - [ 0.0003195700000000, -0.0012258200000000, 0.0000490300000000 ] - [ -0.0003195700000000, -0.0012258200000000, 0.0000490300000000 ] - [ 0.0000392900000000, -0.0003731600000000, -0.0003486500000000 ] - [ -0.0000392900000000, -0.0003731600000000, -0.0003486500000000 ] - [ 0.0000000000000000, 0.0085668200000000, -0.0015294400000000 ] - [ 0.0000000000000000, 0.0011254600000000, -0.0002579500000000 ] - [ 0.0000000000000000, 0.0032643700000000, 0.0020764700000000 ] - [ 0.0000000000000000, 0.0012708500000000, 0.0005570600000000 ] - [ 0.0021259400000000, 0.0028822900000000, 0.0021615700000000 ] - [ 0.0002780700000000, 0.0003645400000000, -0.0000399300000000 ] - [ 0.0014191100000000, -0.0005482000000000, 0.0017064600000000 ] - [ -0.0000110300000000, -0.0000580200000000, 0.0000485600000000 ] - [ -0.0002780700000000, 0.0003645400000000, -0.0000399300000000 ] - [ -0.0021259400000000, 0.0028822900000000, 0.0021615700000000 ] - [ 0.0031622600000000, 0.0070358000000000, 0.0002407000000000 ] - [ -0.0006340500000000, 0.0002299700000000, 0.0011606600000000 ] - [ 0.0000000000000000, -0.0042410600000000, -0.0031746600000000 ] - [ 0.0000000000000000, -0.0007701300000000, 0.0000955500000000 ] - [ 0.0000110300000000, -0.0000580200000000, 0.0000485600000000 ] - [ -0.0014191100000000, -0.0005482000000000, 0.0017064600000000 ] - [ 0.0006340500000000, 0.0002299700000000, 0.0011606600000000 ] - [ -0.0031622600000000, 0.0070358000000000, 0.0002407000000000 ] - [ 0.0000000000000000, -0.0066207500000000, 0.0043105000000000 ] - [ 0.0000000000000000, 0.0001452100000000, 0.0011256300000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0060587400000000, -0.0005354100000000 ] - [ 0.0000000000000000, -0.0006641500000000, -0.0013459300000000 ] - [ 0.0000000000000000, -0.0001503300000000, 0.0021929600000000 ] - [ 0.0000000000000000, 0.0000251400000000, 0.0018569600000000 ] - [ 0.0004731500000000, -0.0005358500000000, 0.0009671600000000 ] - [ -0.0004731500000000, -0.0005358500000000, 0.0009671600000000 ] - [ 0.0000000000000000, 0.0001076000000000, -0.0596804300000000 ] - [ 0.0000000000000000, 0.0014930400000000, -0.0019242800000000 ] - [ 0.0000000000000000, 0.0017175800000000, 0.0085444300000000 ] - [ 0.0000000000000000, 0.0003809600000000, 0.0008399900000000 ] - [ -0.0000672300000000, -0.0009654600000000, 0.0010031500000000 ] - [ 0.0000672300000000, -0.0009654600000000, 0.0010031500000000 ] - [ 0.0000000000000000, 0.0041068500000000, -0.0021695800000000 ] - [ 0.0000000000000000, -0.0000687800000000, -0.0021694400000000 ] - [ -0.0027732800000000, 0.0021315700000000, 0.0006682300000000 ] - [ 0.0027732800000000, 0.0021315700000000, 0.0006682300000000 ] - [ -0.0003823600000000, 0.0003208800000000, 0.0005356400000000 ] - [ 0.0003823600000000, 0.0003208800000000, 0.0005356400000000 ] - [ 0.0001658700000000, -0.0001378100000000, 0.0010150400000000 ] - [ -0.0001658700000000, -0.0001378100000000, 0.0010150400000000 ] - [ 0.0049884000000000, 0.0025629800000000, -0.0001030200000000 ] - [ -0.0049884000000000, 0.0025629800000000, -0.0001030200000000 ] - [ 0.0003896900000000, 0.0005978000000000, 0.0019341100000000 ] - [ -0.0003896900000000, 0.0005978000000000, 0.0019341100000000 ] - [ 0.0000000000000000, -0.0002182500000000, 0.0100900800000000 ] - [ 0.0000000000000000, 0.0002364600000000, 0.0009735500000000 ] - [ 0.0000220600000000, 0.0010348200000000, -0.0018426900000000 ] - [ -0.0000220600000000, 0.0010348200000000, -0.0018426900000000 ] - [ -0.0004733500000000, -0.0001448800000000, 0.0008865300000000 ] - [ 0.0004733500000000, -0.0001448800000000, 0.0008865300000000 ] - [ 0.0000000000000000, -0.0006943100000000, 0.0016993800000000 ] - [ 0.0000000000000000, -0.0007057500000000, 0.0010556000000000 ] - [ -0.0075433100000000, -0.0036026400000000, -0.0018966500000000 ] - [ 0.0075433100000000, -0.0036026400000000, -0.0018966500000000 ] - [ 0.0000000000000000, -0.0081041900000000, 0.0028938700000000 ] - [ 0.0000000000000000, -0.0007174500000000, -0.0004131200000000 ] - [ 0.0000000000000000, -0.0002197000000000, 0.0008124100000000 ] - [ 0.0000000000000000, -0.0001350200000000, 0.0002889400000000 ] - [ 0.0000000000000000, -0.0000756500000000, 0.0009002900000000 ] - [ 0.0000000000000000, -0.0001394800000000, 0.0002943200000000 ] - [ 0.0000000000000000, 0.0015035600000000, 0.0034748000000000 ] - [ 0.0000000000000000, 0.0008588700000000, 0.0018010200000000 ] - [ 0.0000000000000000, 0.0007723200000000, 0.0011165900000000 ] - [ 0.0000000000000000, 0.0004855200000000, 0.0001695400000000 ] - [ 0.0075475400000000, -0.0049445300000000, 0.0050334800000000 ] - [ -0.0075475400000000, -0.0049445300000000, 0.0050334800000000 ] - [ 0.0050118700000000, -0.0040308600000000, -0.0147898300000000 ] - [ -0.0050118700000000, -0.0040308600000000, -0.0147898300000000 ] - [ -0.0018685700000000, -0.0001129700000000, 0.0033697700000000 ] - [ 0.0018685700000000, -0.0001129700000000, 0.0033697700000000 ] - [ -0.0002827700000000, 0.0006165800000000, 0.0010874300000000 ] - [ 0.0002827700000000, 0.0006165800000000, 0.0010874300000000 ] - [ 0.0000000000000000, 0.0045335400000000, 0.0039534000000000 ] - [ 0.0000000000000000, -0.0000728100000000, -0.0000877800000000 ] - [ 0.0000000000000000, 0.0112032000000000, -0.0157415500000000 ] - [ 0.0000000000000000, -0.0007011400000000, -0.0051007700000000 ] - [ 0.0000000000000000, -0.0003527000000000, -0.0022137400000000 ] - [ 0.0000000000000000, -0.0009868800000000, -0.0005355400000000 ] - [ 0.0005314700000000, -0.0013607700000000, -0.0012112600000000 ] - [ -0.0002328400000000, -0.0004664300000000, -0.0008068400000000 ] - [ 0.0008889800000000, 0.0003635400000000, -0.0005314900000000 ] - [ 0.0007173300000000, 0.0002712600000000, -0.0002109600000000 ] - [ 0.0000000000000000, -0.0003063800000000, -0.0015101600000000 ] - [ 0.0000000000000000, 0.0001303300000000, -0.0006659200000000 ] - [ 0.0007295900000000, -0.0001885000000000, -0.0016669500000000 ] - [ 0.0003989300000000, 0.0000212200000000, -0.0011091600000000 ] - [ 0.0002328400000000, -0.0004664300000000, -0.0008068400000000 ] - [ -0.0005314700000000, -0.0013607700000000, -0.0012112600000000 ] - [ -0.0007173300000000, 0.0002712600000000, -0.0002109600000000 ] - [ -0.0008889800000000, 0.0003635400000000, -0.0005314900000000 ] - [ -0.0003989300000000, 0.0000212200000000, -0.0011091600000000 ] - [ -0.0007295900000000, -0.0001885000000000, -0.0016669500000000 ] - [ 0.0000000000000000, 0.0002226800000000, -0.0008352600000000 ] - [ 0.0000000000000000, -0.0006193400000000, 0.0004596600000000 ] - [ 0.0000000000000000, -0.0004755300000000, -0.0011774500000000 ] - [ 0.0000000000000000, -0.0001753900000000, -0.0008038700000000 ] - [ 0.0004759000000000, -0.0011077900000000, 0.0056500700000000 ] - [ -0.0004759000000000, -0.0011077900000000, 0.0056500700000000 ] - [ -0.0008879000000000, 0.0003107900000000, -0.0012988400000000 ] - [ 0.0008879000000000, 0.0003107900000000, -0.0012988400000000 ] - [ -0.0014504000000000, 0.0000492200000000, 0.0018632000000000 ] - [ 0.0080802100000000, 0.0042320500000000, -0.0001398400000000 ] - [ -0.0016475600000000, 0.0016807200000000, -0.0009961000000000 ] - [ 0.0004422800000000, 0.0012549100000000, -0.0017569100000000 ] - [ -0.0080802100000000, 0.0042320500000000, -0.0001398400000000 ] - [ 0.0014504000000000, 0.0000492200000000, 0.0018632000000000 ] - [ -0.0005743900000000, 0.0004494300000000, 0.0026684200000000 ] - [ -0.0029164600000000, 0.0002995900000000, 0.0083541500000000 ] - [ -0.0012350700000000, 0.0006855900000000, 0.0026437200000000 ] - [ 0.0012350700000000, 0.0006855900000000, 0.0026437200000000 ] - [ -0.0004422800000000, 0.0012549100000000, -0.0017569100000000 ] - [ 0.0016475600000000, 0.0016807200000000, -0.0009961000000000 ] - [ 0.0029164600000000, 0.0002995900000000, 0.0083541500000000 ] - [ 0.0005743900000000, 0.0004494300000000, 0.0026684200000000 ] - [ 0.0003995700000000, 0.0002103600000000, 0.0017020500000000 ] - [ -0.0003995700000000, 0.0002103600000000, 0.0017020500000000 ] - [ -0.0001427100000000, -0.0009057200000000, -0.0004955200000000 ] - [ 0.0001427100000000, -0.0009057200000000, -0.0004955200000000 ] - [ 0.0009424200000000, 0.0002576000000000, -0.0003989500000000 ] - [ -0.0010418100000000, 0.0001285900000000, -0.0019051200000000 ] - [ 0.0008672500000000, 0.0002585500000000, -0.0003343900000000 ] - [ 0.0008458100000000, 0.0002551000000000, -0.0003985100000000 ] - [ 0.0002040600000000, 0.0004490200000000, -0.0011095500000000 ] - [ -0.0002040600000000, 0.0004490200000000, -0.0011095500000000 ] - [ 0.0009532600000000, -0.0001188200000000, -0.0016598400000000 ] - [ -0.0001963500000000, 0.0003584400000000, -0.0020703200000000 ] - [ 0.0010418100000000, 0.0001285900000000, -0.0019051200000000 ] - [ -0.0009424200000000, 0.0002576000000000, -0.0003989500000000 ] - [ -0.0008458100000000, 0.0002551000000000, -0.0003985100000000 ] - [ -0.0008672500000000, 0.0002585500000000, -0.0003343900000000 ] - [ 0.0001963500000000, 0.0003584400000000, -0.0020703200000000 ] - [ -0.0009532600000000, -0.0001188200000000, -0.0016598400000000 ] - [ 0.0012126100000000, -0.0001431600000000, -0.0010266400000000 ] - [ -0.0012126100000000, -0.0001431600000000, -0.0010266400000000 ] - [ 0.0000143700000000, -0.0006446000000000, -0.0012388800000000 ] - [ -0.0000143700000000, -0.0006446000000000, -0.0012388800000000 ] - [ 0.0000000000000000, -0.0023226300000000, 0.0026519400000000 ] - [ 0.0000000000000000, 0.0000512800000000, 0.0009073000000000 ] - [ 0.0000000000000000, -0.0000721400000000, -0.0006606900000000 ] - [ 0.0000000000000000, 0.0010512800000000, 0.0001770500000000 ] - [ -0.0003969700000000, -0.0017553000000000, 0.0008256700000000 ] - [ 0.0009258600000000, -0.0000763300000000, 0.0006611200000000 ] - [ -0.0003287100000000, -0.0008464100000000, -0.0015571900000000 ] - [ 0.0007039300000000, -0.0002871800000000, -0.0004843000000000 ] - [ -0.0009258600000000, -0.0000763300000000, 0.0006611200000000 ] - [ 0.0003969700000000, -0.0017553000000000, 0.0008256700000000 ] - [ -0.0017799000000000, 0.0022837300000000, 0.0070798900000000 ] - [ -0.0005965300000000, 0.0008012100000000, 0.0027515800000000 ] - [ 0.0000000000000000, -0.0026228800000000, 0.0105578000000000 ] - [ 0.0000000000000000, -0.0008299800000000, 0.0012160200000000 ] - [ -0.0007039300000000, -0.0002871800000000, -0.0004843000000000 ] - [ 0.0003287100000000, -0.0008464100000000, -0.0015571900000000 ] - [ 0.0005965300000000, 0.0008012100000000, 0.0027515800000000 ] - [ 0.0017799000000000, 0.0022837300000000, 0.0070798900000000 ] - [ 0.0000000000000000, -0.0007777300000000, 0.0178128000000000 ] - [ 0.0000000000000000, 0.0003680000000000, 0.0015088600000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0057503300000000, -0.0003097100000000 ] - [ 0.0000000000000000, 0.0003741400000000, 0.0005256700000000 ] - [ 0.0000000000000000, 0.0004647600000000, -0.0016038500000000 ] - [ 0.0000000000000000, 0.0002949000000000, -0.0012691700000000 ] - [ -0.0004707200000000, 0.0002428100000000, 0.0002131500000000 ] - [ 0.0004707200000000, 0.0002428100000000, 0.0002131500000000 ] - [ 0.0000000000000000, 0.0011994300000000, 0.0602929500000000 ] - [ 0.0000000000000000, 0.0004278600000000, 0.0017781900000000 ] - [ 0.0000000000000000, -0.0014297700000000, -0.0074462700000000 ] - [ 0.0000000000000000, -0.0000850900000000, 0.0003478700000000 ] - [ 0.0000674300000000, -0.0009673700000000, -0.0011586000000000 ] - [ -0.0000674300000000, -0.0009673700000000, -0.0011586000000000 ] - [ 0.0000000000000000, -0.0040889300000000, 0.0004196300000000 ] - [ 0.0000000000000000, 0.0001008000000000, 0.0003913700000000 ] - [ 0.0027948700000000, -0.0024743700000000, -0.0000486400000000 ] - [ -0.0027948700000000, -0.0024743700000000, -0.0000486400000000 ] - [ 0.0003841800000000, -0.0000273300000000, -0.0013535700000000 ] - [ -0.0003841800000000, -0.0000273300000000, -0.0013535700000000 ] - [ -0.0001619900000000, 0.0001118100000000, -0.0028146200000000 ] - [ 0.0001619900000000, 0.0001118100000000, -0.0028146200000000 ] - [ -0.0049673300000000, -0.0028555800000000, -0.0007323900000000 ] - [ 0.0049673300000000, -0.0028555800000000, -0.0007323900000000 ] - [ -0.0003864500000000, -0.0002773800000000, -0.0013405800000000 ] - [ 0.0003864500000000, -0.0002773800000000, -0.0013405800000000 ] - [ 0.0000000000000000, -0.0000872200000000, -0.0087921000000000 ] - [ 0.0000000000000000, -0.0005354900000000, 0.0002049400000000 ] - [ -0.0000268900000000, 0.0009086200000000, 0.0016926800000000 ] - [ 0.0000268900000000, 0.0009086200000000, 0.0016926800000000 ] - [ 0.0004756900000000, 0.0004444700000000, 0.0003046700000000 ] - [ -0.0004756900000000, 0.0004444700000000, 0.0003046700000000 ] - [ 0.0000000000000000, -0.0012353500000000, -0.0018496400000000 ] - [ 0.0000000000000000, -0.0012270000000000, -0.0012103600000000 ] - [ 0.0075835400000000, 0.0036378400000000, 0.0001550700000000 ] - [ -0.0075835400000000, 0.0036378400000000, 0.0001550700000000 ] - [ 0.0000000000000000, 0.0078645200000000, -0.0023126500000000 ] - [ 0.0000000000000000, 0.0004009300000000, 0.0010167700000000 ] - [ 0.0000000000000000, 0.0005178000000000, -0.0016301400000000 ] - [ 0.0000000000000000, 0.0004293400000000, -0.0011046100000000 ] - [ 0.0000000000000000, 0.0000517400000000, -0.0026976600000000 ] - [ 0.0000000000000000, 0.0001138800000000, -0.0020920200000000 ] - [ 0.0000000000000000, -0.0008651200000000, -0.0021734000000000 ] - [ 0.0000000000000000, -0.0002094900000000, -0.0004866200000000 ] - [ 0.0000000000000000, 0.0001600600000000, -0.0047404500000000 ] - [ 0.0000000000000000, 0.0004483700000000, -0.0037907700000000 ] - [ -0.0075174200000000, 0.0042810800000000, -0.0037225100000000 ] - [ 0.0075174200000000, 0.0042810800000000, -0.0037225100000000 ] - [ -0.0051320700000000, 0.0031507900000000, 0.0110661800000000 ] - [ 0.0051320700000000, 0.0031507900000000, 0.0110661800000000 ] - [ 0.0018808300000000, 0.0007711500000000, -0.0020682600000000 ] - [ -0.0018808300000000, 0.0007711500000000, -0.0020682600000000 ] - [ 0.0002866600000000, 0.0003204000000000, -0.0047120200000000 ] - [ -0.0002866600000000, 0.0003204000000000, -0.0047120200000000 ] - [ 0.0000000000000000, -0.0051592400000000, -0.0026548300000000 ] - [ 0.0000000000000000, -0.0005751500000000, 0.0013901200000000 ] - [ 0.0000000000000000, -0.0121704000000000, 0.0120843200000000 ] - [ 0.0000000000000000, -0.0002297900000000, 0.0014859800000000 ] - [ 0.0000000000000000, -0.0012446600000000, 0.0034760900000000 ] - [ 0.0000000000000000, -0.0006188500000000, 0.0018182000000000 ] - [ 0.0000986300000000, 0.0012121700000000, 0.0007387500000000 ] - [ 0.0008669800000000, 0.0003061600000000, 0.0003278000000000 ] - [ -0.0001611500000000, -0.0002976900000000, 0.0021431200000000 ] - [ 0.0000162900000000, -0.0002042600000000, 0.0018192600000000 ] - [ 0.0000000000000000, 0.0009876200000000, 0.0017633900000000 ] - [ 0.0000000000000000, 0.0005496300000000, 0.0009179200000000 ] - [ 0.0002686600000000, 0.0002371000000000, 0.0010706300000000 ] - [ 0.0006015400000000, 0.0000258100000000, 0.0005120300000000 ] - [ -0.0008669800000000, 0.0003061600000000, 0.0003278000000000 ] - [ -0.0000986300000000, 0.0012121700000000, 0.0007387500000000 ] - [ -0.0000162900000000, -0.0002042600000000, 0.0018192600000000 ] - [ 0.0001611500000000, -0.0002976900000000, 0.0021431200000000 ] - [ -0.0006015400000000, 0.0000258100000000, 0.0005120300000000 ] - [ -0.0002686600000000, 0.0002371000000000, 0.0010706300000000 ] - [ 0.0000000000000000, -0.0017593400000000, 0.0016153300000000 ] - [ 0.0000000000000000, -0.0009114200000000, 0.0003169200000000 ] - [ 0.0000000000000000, 0.0004609500000000, 0.0010896700000000 ] - [ 0.0000000000000000, 0.0001554500000000, 0.0007140800000000 ] - [ -0.0004303800000000, 0.0011214800000000, -0.0057453400000000 ] - [ 0.0004303800000000, 0.0011214800000000, -0.0057453400000000 ] - [ 0.0008817200000000, 0.0012340300000000, 0.0020905600000000 ] - [ -0.0008817200000000, 0.0012340300000000, 0.0020905600000000 ] - [ 0.0024495400000000, -0.0000922500000000, -0.0024417800000000 ] - [ -0.0071883600000000, -0.0043504700000000, -0.0002607700000000 ] - [ 0.0022918100000000, -0.0015314300000000, 0.0005293600000000 ] - [ 0.0002029800000000, -0.0010949300000000, 0.0012872300000000 ] - [ 0.0071883600000000, -0.0043504700000000, -0.0002607700000000 ] - [ -0.0024495400000000, -0.0000922500000000, -0.0024417800000000 ] - [ 0.0013246900000000, -0.0005246000000000, -0.0010759500000000 ] - [ 0.0035707100000000, -0.0004081300000000, -0.0067592800000000 ] - [ 0.0012326700000000, -0.0013731200000000, -0.0023703600000000 ] - [ -0.0012326700000000, -0.0013731200000000, -0.0023703600000000 ] - [ -0.0002029800000000, -0.0010949300000000, 0.0012872300000000 ] - [ -0.0022918100000000, -0.0015314300000000, 0.0005293600000000 ] - [ -0.0035707100000000, -0.0004081300000000, -0.0067592800000000 ] - [ -0.0013246900000000, -0.0005246000000000, -0.0010759500000000 ] - [ -0.0003978700000000, 0.0013978800000000, -0.0004380200000000 ] - [ 0.0003978700000000, 0.0013978800000000, -0.0004380200000000 ] - [ 0.0001417300000000, -0.0007040200000000, 0.0017772400000000 ] - [ -0.0001417300000000, -0.0007040200000000, 0.0017772400000000 ] - [ -0.0003087000000000, -0.0004185400000000, -0.0000774200000000 ] - [ 0.0016869200000000, -0.0002897300000000, 0.0014367000000000 ] - [ -0.0001371700000000, -0.0001931400000000, 0.0019446900000000 ] - [ -0.0001136300000000, -0.0001898200000000, 0.0020081600000000 ] - [ -0.0002057000000000, 0.0002289000000000, 0.0013606800000000 ] - [ 0.0002057000000000, 0.0002289000000000, 0.0013606800000000 ] - [ 0.0000470200000000, 0.0001644200000000, 0.0010621700000000 ] - [ 0.0012069600000000, -0.0003168900000000, 0.0014758000000000 ] - [ -0.0016869200000000, -0.0002897300000000, 0.0014367000000000 ] - [ 0.0003087000000000, -0.0004185400000000, -0.0000774200000000 ] - [ 0.0001136300000000, -0.0001898200000000, 0.0020081600000000 ] - [ 0.0001371700000000, -0.0001931400000000, 0.0019446900000000 ] - [ -0.0012069600000000, -0.0003168900000000, 0.0014758000000000 ] - [ -0.0000470200000000, 0.0001644200000000, 0.0010621700000000 ] - [ -0.0012241400000000, -0.0013974300000000, 0.0018211600000000 ] - [ 0.0012241400000000, -0.0013974300000000, 0.0018211600000000 ] - [ -0.0000153400000000, 0.0006282500000000, 0.0011507500000000 ] - [ 0.0000153400000000, 0.0006282500000000, 0.0011507500000000 ] - [ 0.0000000000000000, 0.0023322100000000, -0.0027451000000000 ] - [ 0.0000000000000000, -0.0000403300000000, -0.0009970700000000 ] - [ 0.0000000000000000, 0.0016120500000000, 0.0014509900000000 ] - [ 0.0000000000000000, 0.0004821100000000, 0.0006107700000000 ] - [ 0.0014016500000000, 0.0017072000000000, -0.0014186000000000 ] - [ 0.0000753400000000, 0.0000276900000000, -0.0012592000000000 ] - [ 0.0009639700000000, 0.0009929700000000, 0.0010815500000000 ] - [ -0.0000652600000000, 0.0004450700000000, 0.0000123600000000 ] - [ -0.0000753400000000, 0.0000276900000000, -0.0012592000000000 ] - [ -0.0014016500000000, 0.0017072000000000, -0.0014186000000000 ] - [ 0.0025145000000000, -0.0023338200000000, -0.0054944700000000 ] - [ 0.0013296000000000, -0.0008711900000000, -0.0011528500000000 ] - [ 0.0000000000000000, 0.0022829500000000, -0.0100273300000000 ] - [ 0.0000000000000000, 0.0001545400000000, -0.0009637100000000 ] - [ 0.0000652600000000, 0.0004450700000000, 0.0000123600000000 ] - [ -0.0009639700000000, 0.0009929700000000, 0.0010815500000000 ] - [ -0.0013296000000000, -0.0008711900000000, -0.0011528500000000 ] - [ -0.0025145000000000, -0.0023338200000000, -0.0054944700000000 ] - [ 0.0000000000000000, 0.0028005800000000, -0.0178430600000000 ] - [ 0.0000000000000000, 0.0012464400000000, -0.0002436500000000 ]- atom: 13 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0032946200000000, -0.0001546900000000, -0.0004206300000000 ] - [ 0.0019710900000000, -0.0001459200000000, -0.0004049500000000 ] - [ -0.0003540800000000, 0.0001609600000000, 0.0002991300000000 ] - [ 0.0003756100000000, 0.0001619400000000, 0.0002987000000000 ] - [ -0.0000059000000000, -0.0005251400000000, 0.0011277000000000 ] - [ -0.0000031100000000, 0.0002252300000000, 0.0000574000000000 ] - [ -0.0037685800000000, 0.0009633500000000, -0.0000785600000000 ] - [ 0.0021184600000000, 0.0009669600000000, -0.0000712800000000 ] - [ -0.0015553000000000, 0.0001425300000000, 0.0005954800000000 ] - [ 0.0010706500000000, 0.0001519800000000, 0.0005883500000000 ] - [ -0.0000083800000000, -0.0008853300000000, -0.0002388800000000 ] - [ -0.0000031900000000, -0.0010486200000000, 0.0000897700000000 ] - [ -0.0425402100000000, -0.0004171100000000, -0.0010815100000000 ] - [ 0.0054529200000000, 0.0000121000000000, -0.0008972600000000 ] - [ 0.0123704400000000, 0.0104483600000000, -0.0073635700000000 ] - [ 0.0122417200000000, -0.0106186100000000, 0.0078648500000000 ] - [ 0.0001539300000000, 0.0002544600000000, -0.0011852300000000 ] - [ 0.0001659800000000, 0.0000378300000000, 0.0003696700000000 ] - [ -0.0000044500000000, -0.0000787000000000, -0.0006599000000000 ] - [ -0.0000042100000000, 0.0000548300000000, -0.0011329300000000 ] - [ 0.0000108600000000, 0.0003597900000000, 0.0002605200000000 ] - [ 0.0000185300000000, -0.0006529500000000, -0.0010736000000000 ] - [ -0.0000004600000000, 0.0002808200000000, 0.0003258000000000 ] - [ 0.0000010300000000, 0.0000426700000000, 0.0002722800000000 ] - [ -0.0007648800000000, -0.0001482600000000, 0.0005919000000000 ] - [ 0.0007130300000000, -0.0001495100000000, 0.0005924200000000 ] - [ 0.0055626600000000, -0.0043362400000000, 0.0075270900000000 ] - [ 0.0055386400000000, 0.0062182800000000, -0.0076014700000000 ] - [ 0.0013941100000000, -0.0018536600000000, -0.0044925100000000 ] - [ 0.0013945500000000, 0.0021372200000000, 0.0056359600000000 ] - [ -0.0002522300000000, -0.0009673500000000, -0.0000726200000000 ] - [ 0.0002533600000000, -0.0009664600000000, -0.0000751300000000 ] - [ 0.0000639200000000, 0.0004379000000000, -0.0012405400000000 ] - [ 0.0000720400000000, -0.0004104600000000, -0.0005502900000000 ] - [ -0.0036397600000000, -0.0001282200000000, 0.0003036000000000 ] - [ 0.0018582800000000, -0.0001621800000000, 0.0002963100000000 ] - [ -0.0006076900000000, 0.0001523200000000, -0.0004044700000000 ] - [ 0.0006234100000000, 0.0001448600000000, -0.0004080600000000 ] - [ -0.0001746900000000, -0.0000119400000000, -0.0008966400000000 ] - [ 0.0001794700000000, -0.0000135500000000, -0.0008960100000000 ] - [ -0.0091821200000000, 0.0002969800000000, 0.0007163900000000 ] - [ 0.0041353500000000, 0.0003215300000000, 0.0006453300000000 ] - [ -0.0006704700000000, 0.0004677300000000, -0.0017971500000000 ] - [ 0.0007110300000000, 0.0004678700000000, -0.0018116800000000 ] - [ 0.0001164500000000, -0.0000991000000000, 0.0034008000000000 ] - [ 0.0001204500000000, -0.0005526900000000, -0.0020904000000000 ] - [ 0.0092523900000000, 0.0044762800000000, 0.0068976100000000 ] - [ 0.0092404400000000, -0.0053947300000000, -0.0104743600000000 ] - [ -0.0000219900000000, 0.0005423900000000, -0.0006392700000000 ] - [ -0.0000108000000000, 0.0001142900000000, 0.0019363500000000 ] - [ 0.0000039300000000, 0.0003258700000000, -0.0023384700000000 ] - [ 0.0000079000000000, 0.0006097200000000, -0.0012758100000000 ] - [ -0.0012679100000000, -0.0003256300000000, 0.0006436800000000 ] - [ 0.0012789200000000, -0.0003279600000000, 0.0006560600000000 ] - [ -0.0038713400000000, -0.0004073300000000, -0.0018303200000000 ] - [ 0.0031280800000000, -0.0004706100000000, -0.0017999800000000 ] - [ 0.0001928600000000, -0.0008035300000000, 0.0006381800000000 ] - [ -0.0002002500000000, -0.0008038800000000, 0.0006381800000000 ] - [ 0.0040366500000000, 0.0001786600000000, 0.0037095400000000 ] - [ -0.0025522800000000, -0.0009672300000000, -0.0027088200000000 ] - [ 0.0006089500000000, 0.0000900900000000, 0.0007307900000000 ] - [ 0.0001158300000000, -0.0000280300000000, 0.0008547500000000 ] - [ 0.0006872500000000, 0.0003357800000000, 0.0001174700000000 ] - [ -0.0004583400000000, 0.0003335600000000, 0.0001278200000000 ] - [ 0.0016893000000000, -0.0002121000000000, -0.0001361400000000 ] - [ -0.0004584100000000, 0.0002890800000000, -0.0005375000000000 ] - [ -0.0031936400000000, 0.0008044200000000, 0.0022420000000000 ] - [ 0.0033533800000000, -0.0003232900000000, -0.0042183400000000 ] - [ -0.0006037200000000, 0.0000940100000000, 0.0007631900000000 ] - [ -0.0001133300000000, -0.0000238700000000, 0.0008841600000000 ] - [ -0.0014460800000000, -0.0002362600000000, -0.0000528600000000 ] - [ 0.0006845000000000, 0.0002596800000000, -0.0004801400000000 ] - [ 0.0046467300000000, -0.0007482600000000, 0.0003512900000000 ] - [ -0.0015107100000000, -0.0007618200000000, 0.0003878200000000 ] - [ 0.0001469200000000, -0.0000055000000000, -0.0000450400000000 ] - [ -0.0001338800000000, -0.0000057500000000, -0.0000428300000000 ] - [ -0.0005562200000000, -0.0030086400000000, -0.0001547700000000 ] - [ -0.0005589300000000, 0.0030165600000000, 0.0000640700000000 ] - [ -0.0000262200000000, 0.0001417900000000, -0.0003499900000000 ] - [ -0.0000271900000000, 0.0013880000000000, 0.0011274100000000 ] - [ -0.0006520500000000, -0.0005611900000000, -0.0020163600000000 ] - [ 0.0011637400000000, 0.0007389000000000, 0.0017939300000000 ] - [ -0.0003723600000000, 0.0004767900000000, -0.0009381200000000 ] - [ 0.0009792100000000, -0.0003304600000000, 0.0003644600000000 ] - [ 0.0001741100000000, -0.0007921000000000, -0.0024010800000000 ] - [ -0.0016479800000000, 0.0005128300000000, 0.0014147700000000 ] - [ -0.0029844100000000, -0.0002215000000000, 0.0008098300000000 ] - [ 0.0051624700000000, -0.0036775200000000, -0.0018963700000000 ] - [ -0.0004932000000000, 0.0000211600000000, -0.0025783700000000 ] - [ -0.0004961300000000, -0.0006973700000000, 0.0028168200000000 ] - [ 0.0003474400000000, 0.0004954500000000, -0.0008475100000000 ] - [ -0.0010106500000000, -0.0003144000000000, 0.0004543000000000 ] - [ 0.0046414900000000, 0.0038850100000000, 0.0038021500000000 ] - [ -0.0037100300000000, 0.0001455600000000, 0.0007901900000000 ] - [ -0.0088150700000000, 0.0036544700000000, 0.0030558100000000 ] - [ -0.0089164600000000, -0.0020543800000000, -0.0017724000000000 ] - [ 0.0000007400000000, -0.0007784700000000, 0.0004972200000000 ] - [ -0.0000005200000000, -0.0008308000000000, 0.0007788900000000 ] - [ -0.0002721900000000, 0.0003199600000000, -0.0001084200000000 ] - [ 0.0009816300000000, -0.0005028300000000, -0.0003370100000000 ] - [ 0.0001450100000000, -0.0000116000000000, 0.0009643800000000 ] - [ 0.0005740500000000, 0.0000779600000000, 0.0006506700000000 ] - [ 0.0000022700000000, 0.0005856200000000, 0.0006982300000000 ] - [ -0.0000000900000000, 0.0000849500000000, -0.0004480800000000 ] - [ 0.0001852200000000, 0.0001418500000000, 0.0000617900000000 ] - [ 0.0008121700000000, -0.0000839700000000, -0.0006667900000000 ] - [ 0.0003560400000000, 0.0003375600000000, -0.0001489500000000 ] - [ -0.0009142100000000, -0.0004776800000000, -0.0003685700000000 ] - [ -0.0001445700000000, -0.0000122900000000, 0.0009677600000000 ] - [ -0.0005781800000000, 0.0000784300000000, 0.0006528500000000 ] - [ -0.0001775900000000, 0.0001364100000000, 0.0000659900000000 ] - [ -0.0008106300000000, -0.0000909200000000, -0.0006624600000000 ] - [ -0.0000046400000000, -0.0022484100000000, 0.0017472700000000 ] - [ -0.0000091700000000, 0.0007049100000000, -0.0009559900000000 ] - [ 0.0000021200000000, 0.0000701100000000, 0.0000836100000000 ] - [ 0.0000011100000000, -0.0000783000000000, -0.0001705100000000 ] - [ 0.0036187100000000, 0.0000172900000000, -0.0000783900000000 ] - [ -0.0017097600000000, 0.0000083600000000, -0.0000448900000000 ] - [ 0.0002184300000000, 0.0007666900000000, 0.0003908700000000 ] - [ -0.0002207000000000, 0.0007637000000000, 0.0003871200000000 ] - [ 0.0017146200000000, 0.0004434300000000, -0.0007500000000000 ] - [ -0.0007124300000000, -0.0005099600000000, 0.0001697200000000 ] - [ 0.0007383900000000, -0.0001009400000000, -0.0002802000000000 ] - [ -0.0000965000000000, 0.0002613500000000, -0.0002027200000000 ] - [ -0.0017082100000000, 0.0004632500000000, -0.0007790300000000 ] - [ 0.0007091300000000, -0.0004954700000000, 0.0001598300000000 ] - [ 0.0023178900000000, 0.0004845500000000, -0.0003471200000000 ] - [ -0.0014824300000000, -0.0003573400000000, 0.0015905200000000 ] - [ 0.0005561900000000, -0.0003436600000000, 0.0001329300000000 ] - [ -0.0005179100000000, -0.0003339900000000, 0.0001220800000000 ] - [ -0.0007296300000000, -0.0000954800000000, -0.0002822500000000 ] - [ 0.0000975500000000, 0.0002608900000000, -0.0001975400000000 ] - [ -0.0022076800000000, 0.0002960600000000, 0.0000242600000000 ] - [ 0.0015671900000000, -0.0005613900000000, 0.0019519200000000 ] - [ 0.0015149000000000, 0.0007986500000000, 0.0006404800000000 ] - [ -0.0011028700000000, 0.0008026800000000, 0.0006385800000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0034389000000000, -0.0001045900000000 ] - [ 0.0000000000000000, -0.0009409900000000, -0.0002719500000000 ] - [ 0.0000000000000000, -0.0000694600000000, 0.0005596500000000 ] - [ 0.0000000000000000, 0.0000214200000000, 0.0006425800000000 ] - [ -0.0003369300000000, -0.0007406800000000, 0.0005066300000000 ] - [ 0.0003369300000000, -0.0007406800000000, 0.0005066300000000 ] - [ 0.0000000000000000, 0.0083397600000000, 0.0040544200000000 ] - [ 0.0000000000000000, 0.0019130000000000, -0.0001601100000000 ] - [ 0.0000000000000000, 0.0023885900000000, -0.0020792700000000 ] - [ 0.0000000000000000, 0.0004132900000000, 0.0002836700000000 ] - [ -0.0000815900000000, -0.0010275200000000, 0.0000514900000000 ] - [ 0.0000815900000000, -0.0010275200000000, 0.0000514900000000 ] - [ 0.0000000000000000, -0.0599590700000000, -0.0015704400000000 ] - [ 0.0000000000000000, -0.0012940900000000, -0.0017498700000000 ] - [ 0.0086796300000000, -0.0002544000000000, -0.0039715800000000 ] - [ -0.0086796300000000, -0.0002544000000000, -0.0039715800000000 ] - [ 0.0000546500000000, 0.0002083100000000, -0.0007408600000000 ] - [ -0.0000546500000000, 0.0002083100000000, -0.0007408600000000 ] - [ -0.0000664900000000, -0.0000119300000000, -0.0005519000000000 ] - [ 0.0000664900000000, -0.0000119300000000, -0.0005519000000000 ] - [ -0.0006875500000000, 0.0010404500000000, -0.0003342000000000 ] - [ 0.0006875500000000, 0.0010404500000000, -0.0003342000000000 ] - [ -0.0001594000000000, 0.0003788900000000, 0.0002728500000000 ] - [ 0.0001594000000000, 0.0003788900000000, 0.0002728500000000 ] - [ 0.0000000000000000, 0.0005634400000000, 0.0008140900000000 ] - [ 0.0000000000000000, 0.0002411800000000, 0.0009399200000000 ] - [ -0.0050630900000000, -0.0001133700000000, -0.0036989200000000 ] - [ 0.0050630900000000, -0.0001133700000000, -0.0036989200000000 ] - [ -0.0017547100000000, 0.0002136900000000, 0.0026024200000000 ] - [ 0.0017547100000000, 0.0002136900000000, 0.0026024200000000 ] - [ 0.0000000000000000, -0.0008957400000000, -0.0000098300000000 ] - [ 0.0000000000000000, -0.0008497900000000, 0.0000514900000000 ] - [ -0.0004161000000000, 0.0018365200000000, -0.0010708600000000 ] - [ 0.0004161000000000, 0.0018365200000000, -0.0010708600000000 ] - [ 0.0000000000000000, 0.0154137500000000, 0.0040308300000000 ] - [ 0.0000000000000000, 0.0002893600000000, 0.0002446400000000 ] - [ 0.0000000000000000, 0.0004583100000000, 0.0002790200000000 ] - [ 0.0000000000000000, 0.0001073400000000, -0.0002868800000000 ] - [ 0.0000000000000000, -0.0000291700000000, -0.0010717000000000 ] - [ 0.0000000000000000, -0.0000552900000000, -0.0008409900000000 ] - [ 0.0000000000000000, -0.0123647700000000, 0.0011120900000000 ] - [ 0.0000000000000000, -0.0008477900000000, 0.0001893100000000 ] - [ 0.0000000000000000, 0.0001661400000000, -0.0013565300000000 ] - [ 0.0000000000000000, 0.0002573900000000, -0.0016927200000000 ] - [ -0.0001342500000000, -0.0006629900000000, 0.0026618500000000 ] - [ 0.0001342500000000, -0.0006629900000000, 0.0026618500000000 ] - [ 0.0091726900000000, 0.0024364600000000, 0.0054115400000000 ] - [ -0.0091726900000000, 0.0024364600000000, 0.0054115400000000 ] - [ -0.0008691400000000, 0.0019061000000000, 0.0011050200000000 ] - [ 0.0008691400000000, 0.0019061000000000, 0.0011050200000000 ] - [ -0.0000360000000000, 0.0007775800000000, -0.0015727300000000 ] - [ 0.0000360000000000, 0.0007775800000000, -0.0015727300000000 ] - [ 0.0000000000000000, 0.0004220900000000, -0.0019252800000000 ] - [ 0.0000000000000000, -0.0000654600000000, 0.0003283100000000 ] - [ 0.0000000000000000, 0.0133327500000000, -0.0105027100000000 ] - [ 0.0000000000000000, 0.0000541600000000, -0.0023410100000000 ] - [ 0.0000000000000000, -0.0008452400000000, 0.0004787300000000 ] - [ 0.0000000000000000, -0.0008398900000000, 0.0003442600000000 ] - [ 0.0011537800000000, 0.0029265300000000, 0.0038458600000000 ] - [ 0.0010714100000000, 0.0005686500000000, 0.0007271700000000 ] - [ 0.0005158400000000, 0.0001518000000000, 0.0006024400000000 ] - [ 0.0003918400000000, 0.0001061100000000, 0.0006951100000000 ] - [ 0.0000000000000000, 0.0009174800000000, -0.0000996200000000 ] - [ 0.0000000000000000, 0.0004065000000000, 0.0002125000000000 ] - [ 0.0007013300000000, 0.0005961600000000, -0.0005868300000000 ] - [ 0.0002513900000000, 0.0002949900000000, -0.0003005300000000 ] - [ -0.0010714100000000, 0.0005686500000000, 0.0007271700000000 ] - [ -0.0011537800000000, 0.0029265300000000, 0.0038458600000000 ] - [ -0.0003918400000000, 0.0001061100000000, 0.0006951100000000 ] - [ -0.0005158400000000, 0.0001518000000000, 0.0006024400000000 ] - [ -0.0002513900000000, 0.0002949900000000, -0.0003005300000000 ] - [ -0.0007013300000000, 0.0005961600000000, -0.0005868300000000 ] - [ 0.0000000000000000, 0.0085844900000000, 0.0020689500000000 ] - [ 0.0000000000000000, -0.0002417900000000, 0.0000845800000000 ] - [ 0.0000000000000000, 0.0001652400000000, -0.0000684300000000 ] - [ 0.0000000000000000, 0.0001047500000000, -0.0000615500000000 ] - [ -0.0005814700000000, -0.0029345500000000, 0.0002930100000000 ] - [ 0.0005814700000000, -0.0029345500000000, 0.0002930100000000 ] - [ 0.0000411900000000, 0.0002499900000000, -0.0002114500000000 ] - [ -0.0000411900000000, 0.0002499900000000, -0.0002114500000000 ] - [ -0.0001268300000000, -0.0002879400000000, -0.0018370900000000 ] - [ 0.0004814400000000, -0.0004715200000000, -0.0021352800000000 ] - [ 0.0000728700000000, 0.0004785800000000, -0.0008084000000000 ] - [ -0.0001680400000000, 0.0005560900000000, -0.0007030100000000 ] - [ -0.0004814400000000, -0.0004715200000000, -0.0021352800000000 ] - [ 0.0001268300000000, -0.0002879400000000, -0.0018370900000000 ] - [ -0.0017403200000000, 0.0008593700000000, 0.0018227900000000 ] - [ -0.0000720400000000, 0.0067418700000000, 0.0045909500000000 ] - [ -0.0003185000000000, 0.0016455600000000, -0.0014324400000000 ] - [ 0.0003185000000000, 0.0016455600000000, -0.0014324400000000 ] - [ 0.0001680400000000, 0.0005560900000000, -0.0007030100000000 ] - [ -0.0000728700000000, 0.0004785800000000, -0.0008084000000000 ] - [ 0.0000720400000000, 0.0067418700000000, 0.0045909500000000 ] - [ 0.0017403200000000, 0.0008593700000000, 0.0018227900000000 ] - [ 0.0040195300000000, 0.0052900800000000, 0.0002095800000000 ] - [ -0.0040195300000000, 0.0052900800000000, 0.0002095800000000 ] - [ 0.0000770900000000, -0.0007738000000000, 0.0006114800000000 ] - [ -0.0000770900000000, -0.0007738000000000, 0.0006114800000000 ] - [ 0.0005131700000000, -0.0003502200000000, -0.0002585800000000 ] - [ -0.0011960600000000, -0.0014350900000000, -0.0018122100000000 ] - [ 0.0004193000000000, 0.0000146300000000, 0.0007320100000000 ] - [ 0.0003168600000000, -0.0000206900000000, 0.0007677300000000 ] - [ 0.0000991800000000, 0.0001092100000000, -0.0001178700000000 ] - [ -0.0000991800000000, 0.0001092100000000, -0.0001178700000000 ] - [ 0.0006537100000000, -0.0001507100000000, -0.0004948800000000 ] - [ 0.0006495200000000, -0.0002970700000000, -0.0003563500000000 ] - [ 0.0011960600000000, -0.0014350900000000, -0.0018122100000000 ] - [ -0.0005131700000000, -0.0003502200000000, -0.0002585800000000 ] - [ -0.0003168600000000, -0.0000206900000000, 0.0007677300000000 ] - [ -0.0004193000000000, 0.0000146300000000, 0.0007320100000000 ] - [ -0.0006495200000000, -0.0002970700000000, -0.0003563500000000 ] - [ -0.0006537100000000, -0.0001507100000000, -0.0004948800000000 ] - [ -0.0000940500000000, -0.0018255200000000, 0.0010014400000000 ] - [ 0.0000940500000000, -0.0018255200000000, 0.0010014400000000 ] - [ 0.0000309600000000, -0.0002693300000000, -0.0001577200000000 ] - [ -0.0000309600000000, -0.0002693300000000, -0.0001577200000000 ] - [ 0.0000000000000000, 0.0114580900000000, -0.0171919400000000 ] - [ 0.0000000000000000, 0.0002325000000000, 0.0001617200000000 ] - [ 0.0000000000000000, 0.0013741800000000, 0.0010212500000000 ] - [ 0.0000000000000000, 0.0009739300000000, 0.0004599600000000 ] - [ 0.0010723300000000, -0.0005476600000000, 0.0021192600000000 ] - [ 0.0002069100000000, -0.0001191300000000, 0.0000803700000000 ] - [ 0.0008766600000000, -0.0006078200000000, 0.0004154900000000 ] - [ 0.0003064000000000, -0.0001337300000000, -0.0001856300000000 ] - [ -0.0002069100000000, -0.0001191300000000, 0.0000803700000000 ] - [ -0.0010723300000000, -0.0005476600000000, 0.0021192600000000 ] - [ 0.0021267300000000, -0.0030542800000000, 0.0011480000000000 ] - [ -0.0000463100000000, -0.0005229600000000, 0.0008680000000000 ] - [ 0.0000000000000000, -0.0035906600000000, 0.0020103500000000 ] - [ 0.0000000000000000, -0.0009245400000000, 0.0001883600000000 ] - [ -0.0003064000000000, -0.0001337300000000, -0.0001856300000000 ] - [ -0.0008766600000000, -0.0006078200000000, 0.0004154900000000 ] - [ 0.0000463100000000, -0.0005229600000000, 0.0008680000000000 ] - [ -0.0021267300000000, -0.0030542800000000, 0.0011480000000000 ] - [ 0.0000000000000000, -0.0070924300000000, 0.0021338600000000 ] - [ 0.0000000000000000, 0.0001965400000000, 0.0010845600000000 ]- atom: 13 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0031328100000000, -0.0007240500000000 ] - [ 0.0000000000000000, 0.0006454700000000, -0.0005425700000000 ] - [ 0.0000000000000000, 0.0003916700000000, 0.0000421000000000 ] - [ 0.0000000000000000, 0.0003009100000000, -0.0000418400000000 ] - [ 0.0003379300000000, 0.0004424500000000, 0.0006797800000000 ] - [ -0.0003379300000000, 0.0004424500000000, 0.0006797800000000 ] - [ 0.0000000000000000, -0.0063475900000000, -0.0041380600000000 ] - [ 0.0000000000000000, 0.0000205600000000, 0.0000117100000000 ] - [ 0.0000000000000000, -0.0020982000000000, 0.0032231900000000 ] - [ 0.0000000000000000, -0.0001185200000000, 0.0008972700000000 ] - [ 0.0000785800000000, -0.0009043300000000, -0.0001986600000000 ] - [ -0.0000785800000000, -0.0009043300000000, -0.0001986600000000 ] - [ 0.0000000000000000, 0.0603034700000000, -0.0010976800000000 ] - [ 0.0000000000000000, 0.0013117400000000, -0.0000547100000000 ] - [ -0.0086569500000000, -0.0001262200000000, 0.0045419500000000 ] - [ 0.0086569500000000, -0.0001262200000000, 0.0045419500000000 ] - [ -0.0000615300000000, 0.0000808100000000, -0.0000696500000000 ] - [ 0.0000615300000000, 0.0000808100000000, -0.0000696500000000 ] - [ 0.0000673800000000, -0.0000116200000000, -0.0012383300000000 ] - [ -0.0000673800000000, -0.0000116200000000, -0.0012383300000000 ] - [ 0.0006901400000000, -0.0013328900000000, -0.0004751400000000 ] - [ -0.0006901400000000, -0.0013328900000000, -0.0004751400000000 ] - [ 0.0001596600000000, -0.0000552300000000, 0.0003274300000000 ] - [ -0.0001596600000000, -0.0000552300000000, 0.0003274300000000 ] - [ 0.0000000000000000, -0.0008599200000000, 0.0003744400000000 ] - [ 0.0000000000000000, -0.0005371000000000, 0.0002449100000000 ] - [ 0.0050677900000000, 0.0020687800000000, 0.0035401100000000 ] - [ -0.0050677900000000, 0.0020687800000000, 0.0035401100000000 ] - [ 0.0017520800000000, 0.0000998200000000, -0.0014124400000000 ] - [ -0.0017520800000000, 0.0000998200000000, -0.0014124400000000 ] - [ 0.0000000000000000, -0.0010380800000000, -0.0001353100000000 ] - [ 0.0000000000000000, -0.0010837500000000, -0.0002000500000000 ] - [ 0.0004326400000000, -0.0018099200000000, -0.0007266600000000 ] - [ -0.0004326400000000, -0.0018099200000000, -0.0007266600000000 ] - [ 0.0000000000000000, -0.0159047000000000, -0.0035189900000000 ] - [ 0.0000000000000000, -0.0006026000000000, 0.0003504800000000 ] - [ 0.0000000000000000, -0.0001533100000000, -0.0010929000000000 ] - [ 0.0000000000000000, 0.0001863800000000, -0.0005262500000000 ] - [ 0.0000000000000000, 0.0000064700000000, -0.0007187300000000 ] - [ 0.0000000000000000, 0.0000304500000000, -0.0009499700000000 ] - [ 0.0000000000000000, 0.0130085000000000, 0.0003169800000000 ] - [ 0.0000000000000000, 0.0014944100000000, 0.0011196800000000 ] - [ 0.0000000000000000, 0.0007685900000000, -0.0022374400000000 ] - [ 0.0000000000000000, 0.0006775200000000, -0.0019169200000000 ] - [ 0.0001375600000000, 0.0000092700000000, -0.0013483500000000 ] - [ -0.0001375600000000, 0.0000092700000000, -0.0013483500000000 ] - [ -0.0091235900000000, -0.0033725200000000, -0.0090009400000000 ] - [ 0.0091235900000000, -0.0033725200000000, -0.0090009400000000 ] - [ 0.0008812600000000, -0.0012576000000000, 0.0001899100000000 ] - [ -0.0008812600000000, -0.0012576000000000, 0.0001899100000000 ] - [ 0.0000357900000000, 0.0001592800000000, -0.0020429700000000 ] - [ -0.0000357900000000, 0.0001592800000000, -0.0020429700000000 ] - [ 0.0000000000000000, -0.0010666400000000, 0.0032314500000000 ] - [ 0.0000000000000000, -0.0005841800000000, 0.0009766200000000 ] - [ 0.0000000000000000, -0.0142204000000000, 0.0069453300000000 ] - [ 0.0000000000000000, -0.0009827500000000, -0.0012730200000000 ] - [ 0.0000000000000000, -0.0007605500000000, 0.0007956100000000 ] - [ 0.0000000000000000, -0.0007650700000000, 0.0009307400000000 ] - [ -0.0005077400000000, -0.0030503100000000, -0.0043564300000000 ] - [ -0.0004348500000000, -0.0007257500000000, -0.0012025200000000 ] - [ 0.0002127300000000, -0.0000843000000000, 0.0010043900000000 ] - [ 0.0003368000000000, -0.0000382400000000, 0.0009122300000000 ] - [ 0.0000000000000000, -0.0002383600000000, 0.0003371100000000 ] - [ 0.0000000000000000, 0.0002693500000000, 0.0000362300000000 ] - [ 0.0003017300000000, -0.0005493500000000, -0.0000270400000000 ] - [ 0.0007418100000000, -0.0002443900000000, -0.0002995600000000 ] - [ 0.0004348500000000, -0.0007257500000000, -0.0012025200000000 ] - [ 0.0005077400000000, -0.0030503100000000, -0.0043564300000000 ] - [ -0.0003368000000000, -0.0000382400000000, 0.0009122300000000 ] - [ -0.0002127300000000, -0.0000843000000000, 0.0010043900000000 ] - [ -0.0007418100000000, -0.0002443900000000, -0.0002995600000000 ] - [ -0.0003017300000000, -0.0005493500000000, -0.0000270400000000 ] - [ 0.0000000000000000, -0.0102281500000000, -0.0015060500000000 ] - [ 0.0000000000000000, -0.0012857100000000, 0.0006909900000000 ] - [ 0.0000000000000000, -0.0001855800000000, -0.0000261700000000 ] - [ 0.0000000000000000, -0.0001259800000000, -0.0000310400000000 ] - [ 0.0005721900000000, 0.0029533000000000, -0.0003861600000000 ] - [ -0.0005721900000000, 0.0029533000000000, -0.0003861600000000 ] - [ -0.0000414600000000, 0.0012820500000000, 0.0009906200000000 ] - [ 0.0000414600000000, 0.0012820500000000, 0.0009906200000000 ] - [ 0.0011236400000000, 0.0002410200000000, 0.0012371500000000 ] - [ 0.0005221100000000, 0.0004261600000000, 0.0015255500000000 ] - [ 0.0005640100000000, -0.0003179700000000, 0.0003283400000000 ] - [ 0.0008048800000000, -0.0003952800000000, 0.0002229100000000 ] - [ -0.0005221100000000, 0.0004261600000000, 0.0015255500000000 ] - [ -0.0011236400000000, 0.0002410200000000, 0.0012371500000000 ] - [ 0.0024582600000000, -0.0009207900000000, -0.0002031200000000 ] - [ 0.0006209100000000, -0.0066969400000000, -0.0027584000000000 ] - [ 0.0003172900000000, -0.0023166100000000, 0.0016751900000000 ] - [ -0.0003172900000000, -0.0023166100000000, 0.0016751900000000 ] - [ -0.0008048800000000, -0.0003952800000000, 0.0002229100000000 ] - [ -0.0005640100000000, -0.0003179700000000, 0.0003283400000000 ] - [ -0.0006209100000000, -0.0066969400000000, -0.0027584000000000 ] - [ -0.0024582600000000, -0.0009207900000000, -0.0002031200000000 ] - [ -0.0039605200000000, -0.0037123200000000, 0.0010617300000000 ] - [ 0.0039605200000000, -0.0037123200000000, 0.0010617300000000 ] - [ -0.0000770100000000, -0.0008336800000000, 0.0006629000000000 ] - [ 0.0000770100000000, -0.0008336800000000, 0.0006629000000000 ] - [ 0.0001246100000000, 0.0001881100000000, -0.0002175700000000 ] - [ 0.0018523000000000, 0.0012786500000000, 0.0013564700000000 ] - [ 0.0003089900000000, 0.0000522800000000, 0.0008779600000000 ] - [ 0.0004100000000000, 0.0000872400000000, 0.0008427200000000 ] - [ -0.0000996500000000, 0.0005628600000000, 0.0003667500000000 ] - [ 0.0000996500000000, 0.0005628600000000, 0.0003667500000000 ] - [ 0.0003437500000000, 0.0001995500000000, -0.0001034900000000 ] - [ 0.0003516500000000, 0.0003453100000000, -0.0002404000000000 ] - [ -0.0018523000000000, 0.0012786500000000, 0.0013564700000000 ] - [ -0.0001246100000000, 0.0001881100000000, -0.0002175700000000 ] - [ -0.0004100000000000, 0.0000872400000000, 0.0008427200000000 ] - [ -0.0003089900000000, 0.0000522800000000, 0.0008779600000000 ] - [ -0.0003516500000000, 0.0003453100000000, -0.0002404000000000 ] - [ -0.0003437500000000, 0.0001995500000000, -0.0001034900000000 ] - [ 0.0000905900000000, 0.0002940700000000, -0.0002136100000000 ] - [ -0.0000905900000000, 0.0002940700000000, -0.0002136100000000 ] - [ -0.0000308200000000, 0.0002534500000000, 0.0000664100000000 ] - [ 0.0000308200000000, 0.0002534500000000, 0.0000664100000000 ] - [ 0.0000000000000000, -0.0117537100000000, 0.0177735800000000 ] - [ 0.0000000000000000, -0.0002182100000000, -0.0002457200000000 ] - [ 0.0000000000000000, 0.0001573800000000, -0.0002413500000000 ] - [ 0.0000000000000000, 0.0005576600000000, 0.0003199100000000 ] - [ -0.0000716800000000, 0.0004937000000000, -0.0027197900000000 ] - [ 0.0007905200000000, 0.0000699800000000, -0.0006809000000000 ] - [ -0.0002372100000000, 0.0007645400000000, -0.0008932700000000 ] - [ 0.0003323800000000, 0.0002922700000000, -0.0002931000000000 ] - [ -0.0007905200000000, 0.0000699800000000, -0.0006809000000000 ] - [ 0.0000716800000000, 0.0004937000000000, -0.0027197900000000 ] - [ -0.0013919000000000, 0.0029919900000000, 0.0004334700000000 ] - [ 0.0007761200000000, 0.0004524700000000, 0.0007432900000000 ] - [ 0.0000000000000000, 0.0028988400000000, -0.0017666200000000 ] - [ 0.0000000000000000, 0.0002474500000000, 0.0000597800000000 ] - [ -0.0003323800000000, 0.0002922700000000, -0.0002931000000000 ] - [ 0.0002372100000000, 0.0007645400000000, -0.0008932700000000 ] - [ -0.0007761200000000, 0.0004524700000000, 0.0007432900000000 ] - [ 0.0013919000000000, 0.0029919900000000, 0.0004334700000000 ] - [ 0.0000000000000000, 0.0086737400000000, -0.0008468200000000 ] - [ 0.0000000000000000, 0.0014094200000000, 0.0001965900000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0020121300000000, 0.0101588300000000 ] - [ 0.0000000000000000, -0.0006053300000000, -0.0001246800000000 ] - [ 0.0000000000000000, 0.0003212100000000, 0.0034495200000000 ] - [ 0.0000000000000000, 0.0002180100000000, 0.0025101100000000 ] - [ 0.0005787200000000, -0.0004889200000000, 0.0023073500000000 ] - [ -0.0005787200000000, -0.0004889200000000, 0.0023073500000000 ] - [ 0.0000000000000000, 0.0047550000000000, -0.0013793500000000 ] - [ 0.0000000000000000, 0.0016737900000000, -0.0013538000000000 ] - [ 0.0000000000000000, -0.0048388400000000, 0.0009771200000000 ] - [ 0.0000000000000000, -0.0003266800000000, -0.0002754100000000 ] - [ -0.0007416100000000, -0.0002877000000000, 0.0018403700000000 ] - [ 0.0007416100000000, -0.0002877000000000, 0.0018403700000000 ] - [ 0.0000000000000000, 0.0001605300000000, -0.0907901900000000 ] - [ 0.0000000000000000, -0.0008354900000000, -0.0046604700000000 ] - [ -0.0061642700000000, -0.0038269600000000, -0.0076470700000000 ] - [ 0.0061642700000000, -0.0038269600000000, -0.0076470700000000 ] - [ -0.0021298600000000, -0.0011168000000000, 0.0015151000000000 ] - [ 0.0021298600000000, -0.0011168000000000, 0.0015151000000000 ] - [ -0.0002351200000000, -0.0003557100000000, 0.0016598000000000 ] - [ 0.0002351200000000, -0.0003557100000000, 0.0016598000000000 ] - [ 0.0010747900000000, 0.0000368600000000, 0.0002704200000000 ] - [ -0.0010747900000000, 0.0000368600000000, 0.0002704200000000 ] - [ 0.0001747800000000, 0.0004039700000000, 0.0025154200000000 ] - [ -0.0001747800000000, 0.0004039700000000, 0.0025154200000000 ] - [ 0.0000000000000000, -0.0003740000000000, 0.0025732100000000 ] - [ 0.0000000000000000, 0.0000139800000000, 0.0018549000000000 ] - [ 0.0073332400000000, -0.0014695600000000, -0.0011179600000000 ] - [ -0.0073332400000000, -0.0014695600000000, -0.0011179600000000 ] - [ -0.0045562600000000, 0.0025538800000000, 0.0017705800000000 ] - [ 0.0045562600000000, 0.0025538800000000, 0.0017705800000000 ] - [ 0.0000000000000000, -0.0015697400000000, 0.0017258700000000 ] - [ 0.0000000000000000, -0.0009762000000000, 0.0011197500000000 ] - [ 0.0003453100000000, -0.0001600800000000, -0.0049379300000000 ] - [ -0.0003453100000000, -0.0001600800000000, -0.0049379300000000 ] - [ 0.0000000000000000, 0.0069295700000000, -0.0072768400000000 ] - [ 0.0000000000000000, 0.0006774000000000, -0.0020465800000000 ] - [ 0.0000000000000000, 0.0021650300000000, 0.0010888800000000 ] - [ 0.0000000000000000, 0.0003426600000000, -0.0000254900000000 ] - [ 0.0000000000000000, 0.0001622300000000, 0.0019071200000000 ] - [ 0.0000000000000000, -0.0000686200000000, 0.0009871400000000 ] - [ 0.0000000000000000, -0.0031250600000000, 0.0394423900000000 ] - [ 0.0000000000000000, 0.0004649000000000, 0.0007761800000000 ] - [ 0.0000000000000000, 0.0008675600000000, 0.0061065400000000 ] - [ 0.0000000000000000, 0.0006295200000000, 0.0006541600000000 ] - [ 0.0009984400000000, -0.0001606300000000, 0.0042992800000000 ] - [ -0.0009984400000000, -0.0001606300000000, 0.0042992800000000 ] - [ 0.0115904800000000, 0.0041761200000000, 0.0035836100000000 ] - [ -0.0115904800000000, 0.0041761200000000, 0.0035836100000000 ] - [ -0.0015355700000000, 0.0004364700000000, 0.0009092100000000 ] - [ 0.0015355700000000, 0.0004364700000000, 0.0009092100000000 ] - [ -0.0005943700000000, 0.0004940200000000, 0.0004230800000000 ] - [ 0.0005943700000000, 0.0004940200000000, 0.0004230800000000 ] - [ 0.0000000000000000, -0.0012021800000000, 0.0058253800000000 ] - [ 0.0000000000000000, -0.0005784100000000, 0.0021088200000000 ] - [ 0.0000000000000000, -0.0212560700000000, 0.0055739100000000 ] - [ 0.0000000000000000, -0.0002948800000000, -0.0028688800000000 ] - [ 0.0000000000000000, -0.0007059300000000, -0.0016286400000000 ] - [ 0.0000000000000000, -0.0008327300000000, -0.0010477700000000 ] - [ 0.0057277800000000, 0.0042127700000000, -0.0054219300000000 ] - [ -0.0003670500000000, 0.0000732300000000, 0.0002031200000000 ] - [ 0.0019652700000000, 0.0007054200000000, -0.0020239600000000 ] - [ 0.0005256600000000, 0.0002829500000000, -0.0005297900000000 ] - [ 0.0000000000000000, 0.0014641000000000, -0.0044428700000000 ] - [ 0.0000000000000000, 0.0003163800000000, -0.0005457700000000 ] - [ 0.0025973000000000, -0.0011355000000000, -0.0057653100000000 ] - [ -0.0002053700000000, 0.0000809300000000, -0.0010979300000000 ] - [ 0.0003670500000000, 0.0000732300000000, 0.0002031200000000 ] - [ -0.0057277800000000, 0.0042127700000000, -0.0054219300000000 ] - [ -0.0005256600000000, 0.0002829500000000, -0.0005297900000000 ] - [ -0.0019652700000000, 0.0007054200000000, -0.0020239600000000 ] - [ 0.0002053700000000, 0.0000809300000000, -0.0010979300000000 ] - [ -0.0025973000000000, -0.0011355000000000, -0.0057653100000000 ] - [ 0.0000000000000000, 0.0045269900000000, 0.0050229600000000 ] - [ 0.0000000000000000, -0.0008820400000000, 0.0011646500000000 ] - [ 0.0000000000000000, -0.0019097400000000, -0.0026151800000000 ] - [ 0.0000000000000000, -0.0005780000000000, -0.0010755300000000 ] - [ -0.0010500100000000, -0.0029864500000000, 0.0013396100000000 ] - [ 0.0010500100000000, -0.0029864500000000, 0.0013396100000000 ] - [ -0.0001581000000000, -0.0000186300000000, -0.0013608700000000 ] - [ 0.0001581000000000, -0.0000186300000000, -0.0013608700000000 ] - [ -0.0006480600000000, -0.0005301100000000, -0.0019105000000000 ] - [ 0.0013371200000000, -0.0006697400000000, -0.0021803100000000 ] - [ -0.0005821500000000, 0.0005931800000000, -0.0017343900000000 ] - [ 0.0004298600000000, 0.0001525700000000, -0.0022484400000000 ] - [ -0.0013371200000000, -0.0006697400000000, -0.0021803100000000 ] - [ 0.0006480600000000, -0.0005301100000000, -0.0019105000000000 ] - [ -0.0025799900000000, 0.0009136400000000, 0.0043233400000000 ] - [ 0.0009823800000000, 0.0037300300000000, 0.0089319100000000 ] - [ -0.0012538900000000, -0.0001088100000000, -0.0017619000000000 ] - [ 0.0012538900000000, -0.0001088100000000, -0.0017619000000000 ] - [ -0.0004298600000000, 0.0001525700000000, -0.0022484400000000 ] - [ 0.0005821500000000, 0.0005931800000000, -0.0017343900000000 ] - [ -0.0009823800000000, 0.0037300300000000, 0.0089319100000000 ] - [ 0.0025799900000000, 0.0009136400000000, 0.0043233400000000 ] - [ 0.0046050000000000, 0.0000519300000000, 0.0076016400000000 ] - [ -0.0046050000000000, 0.0000519300000000, 0.0076016400000000 ] - [ -0.0000257400000000, -0.0010044400000000, -0.0014687100000000 ] - [ 0.0000257400000000, -0.0010044400000000, -0.0014687100000000 ] - [ 0.0011195500000000, -0.0003748900000000, 0.0005428400000000 ] - [ -0.0005619900000000, -0.0014898400000000, 0.0001178400000000 ] - [ 0.0009521900000000, 0.0002961400000000, -0.0004383700000000 ] - [ 0.0005337200000000, 0.0002408000000000, -0.0004136100000000 ] - [ 0.0003726000000000, -0.0002040100000000, -0.0006253700000000 ] - [ -0.0003726000000000, -0.0002040100000000, -0.0006253700000000 ] - [ 0.0008904000000000, 0.0000286600000000, -0.0008928600000000 ] - [ -0.0002387000000000, 0.0003805200000000, -0.0011010800000000 ] - [ 0.0005619900000000, -0.0014898400000000, 0.0001178400000000 ] - [ -0.0011195500000000, -0.0003748900000000, 0.0005428400000000 ] - [ -0.0005337200000000, 0.0002408000000000, -0.0004136100000000 ] - [ -0.0009521900000000, 0.0002961400000000, -0.0004383700000000 ] - [ 0.0002387000000000, 0.0003805200000000, -0.0011010800000000 ] - [ -0.0008904000000000, 0.0000286600000000, -0.0008928600000000 ] - [ 0.0007128700000000, 0.0000827600000000, 0.0012947200000000 ] - [ -0.0007128700000000, 0.0000827600000000, 0.0012947200000000 ] - [ 0.0001416600000000, -0.0000059300000000, -0.0013261600000000 ] - [ -0.0001416600000000, -0.0000059300000000, -0.0013261600000000 ] - [ 0.0000000000000000, -0.0088871300000000, 0.0265704600000000 ] - [ 0.0000000000000000, -0.0002261900000000, 0.0012131900000000 ] - [ 0.0000000000000000, 0.0000292400000000, -0.0017519600000000 ] - [ 0.0000000000000000, 0.0005974400000000, -0.0006203600000000 ] - [ -0.0003508700000000, 0.0011502800000000, -0.0033546500000000 ] - [ 0.0010749000000000, 0.0002255900000000, -0.0006331000000000 ] - [ -0.0006280700000000, 0.0008543600000000, -0.0021801100000000 ] - [ 0.0002167500000000, 0.0001304300000000, -0.0011556600000000 ] - [ -0.0010749000000000, 0.0002255900000000, -0.0006331000000000 ] - [ 0.0003508700000000, 0.0011502800000000, -0.0033546500000000 ] - [ -0.0028529700000000, 0.0033500500000000, 0.0042799200000000 ] - [ 0.0007745000000000, 0.0002609400000000, 0.0020252200000000 ] - [ 0.0000000000000000, 0.0022387800000000, -0.0032305900000000 ] - [ 0.0000000000000000, -0.0006722200000000, 0.0001233400000000 ] - [ -0.0002167500000000, 0.0001304300000000, -0.0011556600000000 ] - [ 0.0006280700000000, 0.0008543600000000, -0.0021801100000000 ] - [ -0.0007745000000000, 0.0002609400000000, 0.0020252200000000 ] - [ 0.0028529700000000, 0.0033500500000000, 0.0042799200000000 ] - [ 0.0000000000000000, 0.0005753100000000, 0.0051980900000000 ] - [ 0.0000000000000000, 0.0005961500000000, 0.0027749900000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0022811600000000, -0.0108469800000000 ] - [ 0.0000000000000000, 0.0003108900000000, -0.0006949300000000 ] - [ 0.0000000000000000, -0.0000017200000000, -0.0028591600000000 ] - [ 0.0000000000000000, 0.0001022300000000, -0.0019173000000000 ] - [ -0.0005752200000000, 0.0001934400000000, -0.0011245700000000 ] - [ 0.0005752200000000, 0.0001934400000000, -0.0011245700000000 ] - [ 0.0000000000000000, -0.0028283400000000, 0.0012033400000000 ] - [ 0.0000000000000000, 0.0002552300000000, 0.0012009300000000 ] - [ 0.0000000000000000, 0.0051617400000000, 0.0002219100000000 ] - [ 0.0000000000000000, 0.0006218100000000, 0.0014662800000000 ] - [ 0.0007459500000000, -0.0016484600000000, -0.0019972800000000 ] - [ -0.0007459500000000, -0.0016484600000000, -0.0019972800000000 ] - [ 0.0000000000000000, 0.0006308200000000, 0.0883028300000000 ] - [ 0.0000000000000000, 0.0008588800000000, 0.0028634400000000 ] - [ 0.0061103200000000, 0.0034683900000000, 0.0083247300000000 ] - [ -0.0061103200000000, 0.0034683900000000, 0.0083247300000000 ] - [ 0.0021421700000000, 0.0014189200000000, -0.0023359100000000 ] - [ -0.0021421700000000, 0.0014189200000000, -0.0023359100000000 ] - [ 0.0002384700000000, 0.0003318200000000, -0.0034575900000000 ] - [ -0.0002384700000000, 0.0003318200000000, -0.0034575900000000 ] - [ -0.0010731200000000, -0.0003360800000000, -0.0010894600000000 ] - [ 0.0010731200000000, -0.0003360800000000, -0.0010894600000000 ] - [ -0.0001732100000000, -0.0000848500000000, -0.0019219600000000 ] - [ 0.0001732100000000, -0.0000848500000000, -0.0019219600000000 ] - [ 0.0000000000000000, 0.0000796800000000, -0.0013915100000000 ] - [ 0.0000000000000000, -0.0003097000000000, -0.0006748800000000 ] - [ -0.0073133200000000, 0.0034012200000000, 0.0009252900000000 ] - [ 0.0073133200000000, 0.0034012200000000, 0.0009252900000000 ] - [ 0.0045965900000000, -0.0022699900000000, -0.0005708600000000 ] - [ -0.0045965900000000, -0.0022699900000000, -0.0005708600000000 ] - [ 0.0000000000000000, -0.0003559300000000, -0.0018780700000000 ] - [ 0.0000000000000000, -0.0009555500000000, -0.0012725400000000 ] - [ -0.0003454000000000, 0.0001829200000000, 0.0031476900000000 ] - [ 0.0003454000000000, 0.0001829200000000, 0.0031476900000000 ] - [ 0.0000000000000000, -0.0072272100000000, 0.0079208600000000 ] - [ 0.0000000000000000, -0.0009909400000000, 0.0026496500000000 ] - [ 0.0000000000000000, -0.0018792700000000, -0.0019063500000000 ] - [ 0.0000000000000000, -0.0000486500000000, -0.0007864600000000 ] - [ 0.0000000000000000, -0.0001900300000000, -0.0037048700000000 ] - [ 0.0000000000000000, 0.0000413100000000, -0.0027821400000000 ] - [ 0.0000000000000000, 0.0038537800000000, -0.0387407600000000 ] - [ 0.0000000000000000, 0.0001876500000000, 0.0005522100000000 ] - [ 0.0000000000000000, 0.0000665200000000, -0.0097483300000000 ] - [ 0.0000000000000000, 0.0003061300000000, -0.0042653000000000 ] - [ -0.0009864600000000, -0.0004822300000000, -0.0030072300000000 ] - [ 0.0009864600000000, -0.0004822300000000, -0.0030072300000000 ] - [ -0.0115810900000000, -0.0051125800000000, -0.0072275800000000 ] - [ 0.0115810900000000, -0.0051125800000000, -0.0072275800000000 ] - [ 0.0015428000000000, 0.0002142100000000, 0.0004065100000000 ] - [ -0.0015428000000000, 0.0002142100000000, 0.0004065100000000 ] - [ 0.0005980400000000, 0.0004432600000000, -0.0040363400000000 ] - [ -0.0005980400000000, 0.0004432600000000, -0.0040363400000000 ] - [ 0.0000000000000000, 0.0005455300000000, -0.0045233000000000 ] - [ 0.0000000000000000, -0.0000707400000000, -0.0008098100000000 ] - [ 0.0000000000000000, 0.0201997200000000, -0.0091761600000000 ] - [ 0.0000000000000000, -0.0006382700000000, -0.0007531200000000 ] - [ 0.0000000000000000, -0.0009029000000000, 0.0029100400000000 ] - [ 0.0000000000000000, -0.0007743400000000, 0.0023282200000000 ] - [ -0.0051314100000000, -0.0044202200000000, 0.0048998100000000 ] - [ 0.0010004400000000, -0.0002357200000000, -0.0006935000000000 ] - [ -0.0012467300000000, -0.0006432700000000, 0.0036437800000000 ] - [ 0.0002081200000000, -0.0002162600000000, 0.0021369500000000 ] - [ 0.0000000000000000, -0.0007960600000000, 0.0047144900000000 ] - [ 0.0000000000000000, 0.0003627700000000, 0.0007911400000000 ] - [ -0.0016128000000000, 0.0011896600000000, 0.0051911400000000 ] - [ 0.0012094000000000, -0.0000348600000000, 0.0004944800000000 ] - [ -0.0010004400000000, -0.0002357200000000, -0.0006935000000000 ] - [ 0.0051314100000000, -0.0044202200000000, 0.0048998100000000 ] - [ -0.0002081200000000, -0.0002162600000000, 0.0021369500000000 ] - [ 0.0012467300000000, -0.0006432700000000, 0.0036437800000000 ] - [ -0.0012094000000000, -0.0000348600000000, 0.0004944800000000 ] - [ 0.0016128000000000, 0.0011896600000000, 0.0051911400000000 ] - [ 0.0000000000000000, -0.0063972100000000, -0.0047681100000000 ] - [ 0.0000000000000000, -0.0006479000000000, -0.0003944300000000 ] - [ 0.0000000000000000, 0.0019028200000000, 0.0025323000000000 ] - [ 0.0000000000000000, 0.0005573600000000, 0.0009828900000000 ] - [ 0.0010513600000000, 0.0030158300000000, -0.0014307800000000 ] - [ -0.0010513600000000, 0.0030158300000000, -0.0014307800000000 ] - [ 0.0001568600000000, 0.0015547100000000, 0.0021497400000000 ] - [ -0.0001568600000000, 0.0015547100000000, 0.0021497400000000 ] - [ 0.0016509700000000, 0.0004879700000000, 0.0013303600000000 ] - [ -0.0003281500000000, 0.0006197500000000, 0.0015879200000000 ] - [ 0.0012190800000000, -0.0004370200000000, 0.0012644100000000 ] - [ 0.0002184200000000, -0.0000011900000000, 0.0017747600000000 ] - [ 0.0003281500000000, 0.0006197500000000, 0.0015879200000000 ] - [ -0.0016509700000000, 0.0004879700000000, 0.0013303600000000 ] - [ 0.0033095800000000, -0.0009775000000000, -0.0027130500000000 ] - [ -0.0005657600000000, -0.0034903600000000, -0.0070468400000000 ] - [ 0.0012475400000000, -0.0005815200000000, 0.0020209300000000 ] - [ -0.0012475400000000, -0.0005815200000000, 0.0020209300000000 ] - [ -0.0002184200000000, -0.0000011900000000, 0.0017747600000000 ] - [ -0.0012190800000000, -0.0004370200000000, 0.0012644100000000 ] - [ 0.0005657600000000, -0.0034903600000000, -0.0070468400000000 ] - [ -0.0033095800000000, -0.0009775000000000, -0.0027130500000000 ] - [ -0.0045344300000000, 0.0015361300000000, -0.0063730900000000 ] - [ 0.0045344300000000, 0.0015361300000000, -0.0063730900000000 ] - [ 0.0000246700000000, -0.0006010900000000, 0.0027498900000000 ] - [ -0.0000246700000000, -0.0006010900000000, 0.0027498900000000 ] - [ -0.0004841700000000, 0.0002174500000000, -0.0010222300000000 ] - [ 0.0012046200000000, 0.0013398500000000, -0.0005985600000000 ] - [ -0.0002227800000000, -0.0002300300000000, 0.0020467500000000 ] - [ 0.0001985100000000, -0.0001744000000000, 0.0020217000000000 ] - [ -0.0003748900000000, 0.0008850600000000, 0.0008701800000000 ] - [ 0.0003748900000000, 0.0008850600000000, 0.0008701800000000 ] - [ 0.0001099300000000, 0.0000166900000000, 0.0002891300000000 ] - [ 0.0012464400000000, -0.0003375300000000, 0.0004987200000000 ] - [ -0.0012046200000000, 0.0013398500000000, -0.0005985600000000 ] - [ 0.0004841700000000, 0.0002174500000000, -0.0010222300000000 ] - [ -0.0001985100000000, -0.0001744000000000, 0.0020217000000000 ] - [ 0.0002227800000000, -0.0002300300000000, 0.0020467500000000 ] - [ -0.0012464400000000, -0.0003375300000000, 0.0004987200000000 ] - [ -0.0001099300000000, 0.0000166900000000, 0.0002891300000000 ] - [ -0.0007170700000000, -0.0016170900000000, -0.0005184200000000 ] - [ 0.0007170700000000, -0.0016170900000000, -0.0005184200000000 ] - [ -0.0001429000000000, -0.0000146200000000, 0.0012356600000000 ] - [ 0.0001429000000000, -0.0000146200000000, 0.0012356600000000 ] - [ 0.0000000000000000, 0.0079826500000000, -0.0254753100000000 ] - [ 0.0000000000000000, 0.0002402700000000, -0.0012978200000000 ] - [ 0.0000000000000000, 0.0015097100000000, 0.0025384400000000 ] - [ 0.0000000000000000, 0.0009382000000000, 0.0014076400000000 ] - [ 0.0013522400000000, -0.0011874200000000, 0.0027544400000000 ] - [ -0.0000731000000000, -0.0002714000000000, 0.0000360600000000 ] - [ 0.0012653400000000, -0.0006952700000000, 0.0017086500000000 ] - [ 0.0004229500000000, 0.0000268400000000, 0.0006848000000000 ] - [ 0.0000731000000000, -0.0002714000000000, 0.0000360600000000 ] - [ -0.0013522400000000, -0.0011874200000000, 0.0027544400000000 ] - [ 0.0035772900000000, -0.0033989300000000, -0.0026694800000000 ] - [ -0.0000455500000000, -0.0003259700000000, -0.0004130500000000 ] - [ 0.0000000000000000, -0.0029088600000000, 0.0034920800000000 ] - [ 0.0000000000000000, -0.0000060900000000, 0.0001280700000000 ] - [ -0.0004229500000000, 0.0000268400000000, 0.0006848000000000 ] - [ -0.0012653400000000, -0.0006952700000000, 0.0017086500000000 ] - [ 0.0000455500000000, -0.0003259700000000, -0.0004130500000000 ] - [ -0.0035772900000000, -0.0033989300000000, -0.0026694800000000 ] - [ 0.0000000000000000, 0.0010466600000000, -0.0039314300000000 ] - [ 0.0000000000000000, 0.0010120600000000, -0.0015011300000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0008768800000000, -0.0001496800000000, -0.0004110100000000 ] - [ 0.0009094100000000, -0.0001468900000000, -0.0004088700000000 ] - [ -0.0005553900000000, 0.0001570200000000, 0.0002981600000000 ] - [ 0.0005664500000000, 0.0001596400000000, 0.0002924700000000 ] - [ 0.0000058000000000, -0.0001418100000000, 0.0003923100000000 ] - [ 0.0000074100000000, -0.0001498300000000, 0.0007916400000000 ] - [ -0.0011904900000000, 0.0009636500000000, -0.0000848200000000 ] - [ 0.0011981700000000, 0.0009643500000000, -0.0000778700000000 ] - [ -0.0156240200000000, 0.0001397000000000, 0.0006045400000000 ] - [ 0.0038667800000000, 0.0001516300000000, 0.0005986000000000 ] - [ 0.0035456000000000, -0.0035575100000000, -0.0076310500000000 ] - [ 0.0035501800000000, 0.0016127000000000, 0.0074321900000000 ] - [ -0.0091817200000000, -0.0000030200000000, -0.0009542400000000 ] - [ 0.0041351400000000, 0.0000143900000000, -0.0008899500000000 ] - [ 0.0111136100000000, 0.0031352000000000, 0.0154254100000000 ] - [ 0.0111122400000000, -0.0034367900000000, -0.0147710500000000 ] - [ 0.0157916700000000, 0.0126693200000000, -0.0137521800000000 ] - [ 0.0155876000000000, -0.0122004200000000, 0.0127973600000000 ] - [ 0.0001167300000000, -0.0001474600000000, -0.0018940000000000 ] - [ 0.0001202700000000, 0.0001236500000000, 0.0000904800000000 ] - [ 0.0000011600000000, 0.0000328800000000, -0.0001718200000000 ] - [ 0.0000051100000000, -0.0003303200000000, -0.0006461600000000 ] - [ 0.0000261900000000, -0.0000070100000000, -0.0004961700000000 ] - [ 0.0000283900000000, 0.0003260900000000, 0.0010851200000000 ] - [ -0.0004078400000000, -0.0001453900000000, 0.0005919100000000 ] - [ 0.0004022600000000, -0.0001462900000000, 0.0005915800000000 ] - [ -0.0000320900000000, 0.0001648800000000, 0.0017969300000000 ] - [ -0.0000227800000000, 0.0017667900000000, -0.0019537100000000 ] - [ 0.0195685300000000, -0.0169465000000000, 0.0090092800000000 ] - [ 0.0193952600000000, 0.0170356500000000, -0.0076885900000000 ] - [ -0.0019901700000000, -0.0009561600000000, -0.0000844900000000 ] - [ 0.0021360800000000, -0.0009631900000000, -0.0000807200000000 ] - [ -0.0000212700000000, 0.0008853800000000, 0.0006441600000000 ] - [ -0.0000114100000000, -0.0008648200000000, -0.0024338500000000 ] - [ -0.0025090700000000, -0.0001255700000000, 0.0002751000000000 ] - [ 0.0024788700000000, -0.0001613400000000, 0.0003047100000000 ] - [ -0.0091481500000000, 0.0001552800000000, -0.0003889600000000 ] - [ 0.0033369200000000, 0.0001426800000000, -0.0004074500000000 ] - [ -0.0012676600000000, -0.0000078200000000, -0.0008959600000000 ] - [ 0.0012784600000000, -0.0000127300000000, -0.0009006500000000 ] - [ -0.2761762900000000, -0.0022186000000000, -0.0004195700000000 ] - [ 0.0177945000000000, 0.0003215900000000, 0.0006595400000000 ] - [ -0.0726182800000000, 0.0003648500000000, -0.0016602000000000 ] - [ 0.0075582900000000, 0.0004686300000000, -0.0018286300000000 ] - [ -0.0000141700000000, -0.0002820400000000, 0.0013870000000000 ] - [ -0.0000108300000000, -0.0003649100000000, -0.0000942900000000 ] - [ -0.0002724600000000, 0.0001322700000000, 0.0008407900000000 ] - [ -0.0002526000000000, -0.0010719000000000, -0.0044681400000000 ] - [ -0.0002942500000000, 0.0016395500000000, -0.0012666700000000 ] - [ -0.0002468700000000, -0.0009881500000000, 0.0025835900000000 ] - [ -0.0001800700000000, 0.0000557700000000, -0.0043750200000000 ] - [ -0.0001712900000000, 0.0008842100000000, 0.0007614200000000 ] - [ -0.0010679500000000, -0.0003228900000000, 0.0006446900000000 ] - [ 0.0009546800000000, -0.0003233800000000, 0.0006472800000000 ] - [ -0.0015986000000000, -0.0004597200000000, -0.0018163400000000 ] - [ 0.0016070200000000, -0.0004684500000000, -0.0018072000000000 ] - [ 0.0005691500000000, -0.0008007200000000, 0.0006434500000000 ] - [ -0.0004505200000000, -0.0008046900000000, 0.0006419000000000 ] - [ 0.0798545000000000, 0.0472433200000000, 0.0343807300000000 ] - [ -0.0103972000000000, -0.0024052100000000, -0.0022792900000000 ] - [ 0.0102380700000000, 0.0000720300000000, 0.0019951300000000 ] - [ -0.0022441500000000, -0.0002948300000000, 0.0006608000000000 ] - [ 0.0230486400000000, 0.0002415700000000, 0.0003929000000000 ] - [ -0.0040486300000000, 0.0003397500000000, 0.0001306200000000 ] - [ 0.0378793700000000, -0.0090030700000000, 0.0000002600000000 ] - [ -0.0078848000000000, 0.0007432900000000, -0.0007247300000000 ] - [ -0.0110556100000000, 0.0022444100000000, 0.0017894500000000 ] - [ 0.0765873600000000, -0.0444204300000000, -0.0325092900000000 ] - [ -0.0029721500000000, 0.0003586000000000, 0.0009577300000000 ] - [ 0.0094614200000000, 0.0000168900000000, -0.0004060500000000 ] - [ -0.0089139200000000, -0.0006962100000000, 0.0001353700000000 ] - [ 0.0358045300000000, 0.0083806900000000, -0.0019399800000000 ] - [ 0.0244122400000000, -0.0003465400000000, 0.0001759600000000 ] - [ -0.0035994100000000, -0.0007602100000000, 0.0003840800000000 ] - [ 0.0093881400000000, -0.0000312000000000, -0.0000822000000000 ] - [ -0.0018159200000000, -0.0000068600000000, -0.0000423100000000 ] - [ 0.0000165100000000, -0.0003931100000000, -0.0008693300000000 ] - [ 0.0000135500000000, 0.0004170800000000, 0.0007764100000000 ] - [ -0.0000046500000000, 0.0006847200000000, 0.0003654300000000 ] - [ -0.0000052200000000, 0.0008525200000000, 0.0004275100000000 ] - [ 0.0001427800000000, -0.0002306900000000, -0.0009167000000000 ] - [ 0.0008748500000000, 0.0001659400000000, 0.0002967600000000 ] - [ -0.0000192300000000, 0.0001874900000000, -0.0004142000000000 ] - [ 0.0006831700000000, -0.0000541400000000, -0.0000174800000000 ] - [ -0.0001260200000000, -0.0002109700000000, -0.0008919500000000 ] - [ -0.0008640900000000, 0.0001867800000000, 0.0003216600000000 ] - [ -0.0006161100000000, 0.0000786000000000, -0.0017553600000000 ] - [ 0.0012489000000000, -0.0001150500000000, 0.0026665400000000 ] - [ 0.0000268200000000, -0.0003083000000000, -0.0006550800000000 ] - [ 0.0000239700000000, -0.0003770200000000, 0.0009088600000000 ] - [ 0.0000437500000000, 0.0002077200000000, -0.0004482000000000 ] - [ -0.0006631300000000, -0.0000358100000000, -0.0000495900000000 ] - [ 0.0005442300000000, 0.0000631700000000, -0.0010413500000000 ] - [ -0.0013513700000000, -0.0001455800000000, 0.0033532600000000 ] - [ -0.0017903800000000, 0.0035337200000000, -0.0056966400000000 ] - [ -0.0018160800000000, -0.0019250900000000, 0.0069379700000000 ] - [ 0.0002894600000000, -0.0002845700000000, 0.0026449700000000 ] - [ 0.0002856200000000, -0.0013207700000000, -0.0013560000000000 ] - [ -0.0019613400000000, 0.0014163800000000, -0.0007500100000000 ] - [ 0.0023995200000000, -0.0017403600000000, 0.0005789900000000 ] - [ -0.0009936600000000, -0.0001720600000000, 0.0018258900000000 ] - [ 0.0017797300000000, 0.0003077200000000, -0.0002450300000000 ] - [ -0.0008320500000000, 0.0031783600000000, 0.0015991800000000 ] - [ -0.0008351200000000, -0.0024807500000000, -0.0013511400000000 ] - [ -0.0010068600000000, -0.0003019200000000, 0.0004376200000000 ] - [ 0.0024914400000000, 0.0006898500000000, -0.0010034400000000 ] - [ 0.0017955000000000, 0.0015749600000000, -0.0010640900000000 ] - [ -0.0026107200000000, -0.0015441200000000, 0.0002810600000000 ] - [ 0.0010511300000000, -0.0002503100000000, 0.0018548800000000 ] - [ -0.0017281200000000, 0.0002371800000000, -0.0002177700000000 ] - [ 0.0015012000000000, -0.0006500200000000, 0.0003859500000000 ] - [ -0.0020192300000000, 0.0003410200000000, -0.0010447900000000 ] - [ -0.0013483800000000, -0.0056633400000000, 0.0010582700000000 ] - [ -0.0013589500000000, 0.0041100600000000, -0.0002776700000000 ] - [ 0.0002058500000000, -0.0013075700000000, 0.0022980500000000 ] - [ 0.0002075500000000, 0.0012764800000000, -0.0023839800000000 ] - [ 0.0001951200000000, -0.0000005000000000, -0.0000308200000000 ] - [ -0.0007310400000000, 0.0000111900000000, -0.0000477400000000 ] - [ 0.0002391100000000, 0.0007713300000000, 0.0003973800000000 ] - [ -0.0002421300000000, 0.0007693600000000, 0.0003967900000000 ] - [ 0.0011394300000000, 0.0002451200000000, -0.0005047500000000 ] - [ -0.0001137900000000, -0.0002483900000000, -0.0001648400000000 ] - [ 0.0008157100000000, -0.0000708400000000, 0.0000492900000000 ] - [ -0.0001531900000000, 0.0002269400000000, -0.0004711700000000 ] - [ -0.0011179900000000, 0.0002044400000000, -0.0004349800000000 ] - [ 0.0001289700000000, -0.0002881600000000, -0.0000903300000000 ] - [ 0.0014080600000000, -0.0000859100000000, 0.0002707500000000 ] - [ -0.0006652400000000, -0.0000089800000000, 0.0013478200000000 ] - [ 0.0002621500000000, -0.0003440000000000, 0.0001280800000000 ] - [ -0.0002728700000000, -0.0003417700000000, 0.0001246000000000 ] - [ -0.0007961700000000, -0.0000747100000000, 0.0000066100000000 ] - [ 0.0001670500000000, 0.0002193500000000, -0.0005114600000000 ] - [ -0.0013946800000000, -0.0000559400000000, 0.0002573000000000 ] - [ 0.0006693000000000, 0.0000186500000000, 0.0013385000000000 ] - [ 0.0021879700000000, 0.0008118900000000, 0.0006449800000000 ] - [ -0.0017179400000000, 0.0008049600000000, 0.0006333300000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0004446200000000, -0.0003611500000000 ] - [ 0.0000000000000000, -0.0003246100000000, -0.0001071500000000 ] - [ 0.0000000000000000, -0.0003796100000000, 0.0006660400000000 ] - [ 0.0000000000000000, 0.0000124700000000, 0.0006305400000000 ] - [ -0.0000542600000000, -0.0003697300000000, 0.0009838600000000 ] - [ 0.0000542600000000, -0.0003697300000000, 0.0009838600000000 ] - [ 0.0000000000000000, 0.0011847900000000, 0.0011204400000000 ] - [ 0.0000000000000000, 0.0012543900000000, 0.0004621900000000 ] - [ 0.0000000000000000, 0.0335990300000000, 0.0066209800000000 ] - [ 0.0000000000000000, 0.0012275500000000, -0.0001232700000000 ] - [ -0.0027727100000000, 0.0004867500000000, 0.0045480100000000 ] - [ 0.0027727100000000, 0.0004867500000000, 0.0045480100000000 ] - [ 0.0000000000000000, -0.0126688700000000, -0.0044066100000000 ] - [ 0.0000000000000000, -0.0011556000000000, -0.0007584300000000 ] - [ 0.0083560300000000, -0.0005603100000000, 0.0114505600000000 ] - [ -0.0083560300000000, -0.0005603100000000, 0.0114505600000000 ] - [ 0.0107713400000000, -0.0015221600000000, -0.0091138500000000 ] - [ -0.0107713400000000, -0.0015221600000000, -0.0091138500000000 ] - [ 0.0002263700000000, -0.0003511200000000, -0.0010598000000000 ] - [ -0.0002263700000000, -0.0003511200000000, -0.0010598000000000 ] - [ -0.0001061100000000, 0.0001191400000000, -0.0002211500000000 ] - [ 0.0001061100000000, 0.0001191400000000, -0.0002211500000000 ] - [ -0.0000233500000000, 0.0006349500000000, 0.0004406100000000 ] - [ 0.0000233500000000, 0.0006349500000000, 0.0004406100000000 ] - [ 0.0000000000000000, 0.0000780100000000, 0.0005772800000000 ] - [ 0.0000000000000000, -0.0000680600000000, 0.0008089900000000 ] - [ -0.0002894400000000, 0.0007718300000000, -0.0005155600000000 ] - [ 0.0002894400000000, 0.0007718300000000, -0.0005155600000000 ] - [ -0.0183852100000000, 0.0004595800000000, -0.0048399300000000 ] - [ 0.0183852100000000, 0.0004595800000000, -0.0048399300000000 ] - [ 0.0000000000000000, 0.0036405300000000, -0.0049554000000000 ] - [ 0.0000000000000000, -0.0007326400000000, -0.0003257800000000 ] - [ -0.0002086200000000, 0.0015935500000000, -0.0007782400000000 ] - [ 0.0002086200000000, 0.0015935500000000, -0.0007782400000000 ] - [ 0.0000000000000000, 0.0146152400000000, -0.0095058000000000 ] - [ 0.0000000000000000, 0.0004873300000000, -0.0004272500000000 ] - [ 0.0000000000000000, 0.0186125800000000, 0.0074922600000000 ] - [ 0.0000000000000000, 0.0006645900000000, -0.0003789400000000 ] - [ 0.0000000000000000, 0.0007371200000000, -0.0000233100000000 ] - [ 0.0000000000000000, 0.0002493400000000, -0.0006451200000000 ] - [ 0.0000000000000000, -0.3144571000000000, 0.0120481500000000 ] - [ 0.0000000000000000, -0.0069327400000000, -0.0036495100000000 ] - [ 0.0000000000000000, -0.0640133800000000, 0.0091786200000000 ] - [ 0.0000000000000000, -0.0021213000000000, -0.0019722800000000 ] - [ 0.0000419200000000, -0.0004747100000000, 0.0013249200000000 ] - [ -0.0000419200000000, -0.0004747100000000, 0.0013249200000000 ] - [ -0.0004846700000000, -0.0006266400000000, -0.0003776600000000 ] - [ 0.0004846700000000, -0.0006266400000000, -0.0003776600000000 ] - [ -0.0012914900000000, 0.0098130000000000, 0.0013243600000000 ] - [ 0.0012914900000000, 0.0098130000000000, 0.0013243600000000 ] - [ 0.0012410600000000, 0.0045777400000000, -0.0015116300000000 ] - [ -0.0012410600000000, 0.0045777400000000, -0.0015116300000000 ] - [ 0.0000000000000000, -0.0002091300000000, 0.0009340700000000 ] - [ 0.0000000000000000, -0.0002791700000000, 0.0011078600000000 ] - [ 0.0000000000000000, -0.0004533800000000, -0.0026250400000000 ] - [ 0.0000000000000000, -0.0004330600000000, -0.0014270800000000 ] - [ 0.0000000000000000, 0.0000255200000000, 0.0018947800000000 ] - [ 0.0000000000000000, -0.0007242500000000, 0.0005712600000000 ] - [ 0.0514643300000000, 0.0621454100000000, 0.0255171200000000 ] - [ 0.0043193700000000, 0.0020532400000000, 0.0014930500000000 ] - [ 0.0013146300000000, 0.0058190700000000, -0.0004167300000000 ] - [ 0.0003491700000000, 0.0008674600000000, 0.0008888600000000 ] - [ 0.0000000000000000, 0.0247352100000000, 0.0313904600000000 ] - [ 0.0000000000000000, 0.0018408600000000, 0.0011116000000000 ] - [ -0.0020488400000000, 0.0235208100000000, -0.0097333400000000 ] - [ -0.0021612400000000, 0.0023054500000000, 0.0002865200000000 ] - [ -0.0043193700000000, 0.0020532400000000, 0.0014930500000000 ] - [ -0.0514643300000000, 0.0621454100000000, 0.0255171200000000 ] - [ -0.0003491700000000, 0.0008674600000000, 0.0008888600000000 ] - [ -0.0013146300000000, 0.0058190700000000, -0.0004167300000000 ] - [ 0.0021612400000000, 0.0023054500000000, 0.0002865200000000 ] - [ 0.0020488400000000, 0.0235208100000000, -0.0097333400000000 ] - [ 0.0000000000000000, 0.1242033600000000, -0.0767281500000000 ] - [ 0.0000000000000000, 0.0012474900000000, 0.0000475200000000 ] - [ 0.0000000000000000, 0.0067508100000000, -0.0061102200000000 ] - [ 0.0000000000000000, 0.0006269700000000, 0.0000923900000000 ] - [ -0.0000134200000000, -0.0002240600000000, -0.0004664900000000 ] - [ 0.0000134200000000, -0.0002240600000000, -0.0004664900000000 ] - [ -0.0000401500000000, 0.0006021800000000, 0.0001226300000000 ] - [ 0.0000401500000000, 0.0006021800000000, 0.0001226300000000 ] - [ 0.0005468700000000, -0.0000166200000000, -0.0006696700000000 ] - [ 0.0005580800000000, 0.0000174000000000, -0.0007540000000000 ] - [ 0.0002229200000000, 0.0002466700000000, -0.0004844100000000 ] - [ 0.0001999200000000, 0.0002866800000000, -0.0004638500000000 ] - [ -0.0005580800000000, 0.0000174000000000, -0.0007540000000000 ] - [ -0.0005468700000000, -0.0000166200000000, -0.0006696700000000 ] - [ 0.0003442000000000, 0.0004039900000000, -0.0008530500000000 ] - [ -0.0008581400000000, 0.0011982900000000, 0.0003073000000000 ] - [ 0.0000479600000000, 0.0000197300000000, -0.0002895800000000 ] - [ -0.0000479600000000, 0.0000197300000000, -0.0002895800000000 ] - [ -0.0001999200000000, 0.0002866800000000, -0.0004638500000000 ] - [ -0.0002229200000000, 0.0002466700000000, -0.0004844100000000 ] - [ 0.0008581400000000, 0.0011982900000000, 0.0003073000000000 ] - [ -0.0003442000000000, 0.0004039900000000, -0.0008530500000000 ] - [ 0.0015361500000000, 0.0063125000000000, 0.0022947700000000 ] - [ -0.0015361500000000, 0.0063125000000000, 0.0022947700000000 ] - [ -0.0000946000000000, -0.0012718600000000, -0.0008917500000000 ] - [ 0.0000946000000000, -0.0012718600000000, -0.0008917500000000 ] - [ 0.0004789200000000, -0.0021188300000000, -0.0002608000000000 ] - [ -0.0041948900000000, -0.0082445900000000, -0.0015105100000000 ] - [ -0.0000350900000000, -0.0006081300000000, 0.0009002800000000 ] - [ 0.0004564500000000, -0.0014715400000000, 0.0006538500000000 ] - [ 0.0010624600000000, -0.0035546900000000, -0.0005405000000000 ] - [ -0.0010624600000000, -0.0035546900000000, -0.0005405000000000 ] - [ 0.0008074300000000, -0.0011843500000000, -0.0005785700000000 ] - [ 0.0028517700000000, -0.0046408800000000, 0.0007656700000000 ] - [ 0.0041948900000000, -0.0082445900000000, -0.0015105100000000 ] - [ -0.0004789200000000, -0.0021188300000000, -0.0002608000000000 ] - [ -0.0004564500000000, -0.0014715400000000, 0.0006538500000000 ] - [ 0.0000350900000000, -0.0006081300000000, 0.0009002800000000 ] - [ -0.0028517700000000, -0.0046408800000000, 0.0007656700000000 ] - [ -0.0008074300000000, -0.0011843500000000, -0.0005785700000000 ] - [ -0.0021404900000000, -0.0067854700000000, 0.0021271400000000 ] - [ 0.0021404900000000, -0.0067854700000000, 0.0021271400000000 ] - [ -0.0005731200000000, -0.0019535800000000, 0.0007438700000000 ] - [ 0.0005731200000000, -0.0019535800000000, 0.0007438700000000 ] - [ 0.0000000000000000, 0.0006319200000000, -0.0002786700000000 ] - [ 0.0000000000000000, 0.0002514400000000, -0.0002408000000000 ] - [ 0.0000000000000000, 0.0007489000000000, 0.0001536900000000 ] - [ 0.0000000000000000, 0.0007089400000000, 0.0001679600000000 ] - [ 0.0005371400000000, 0.0000137900000000, -0.0003064700000000 ] - [ 0.0004318100000000, -0.0000425500000000, -0.0005083800000000 ] - [ 0.0003305300000000, -0.0000484900000000, -0.0004295700000000 ] - [ 0.0002440000000000, 0.0000524800000000, -0.0004331000000000 ] - [ -0.0004318100000000, -0.0000425500000000, -0.0005083800000000 ] - [ -0.0005371400000000, 0.0000137900000000, -0.0003064700000000 ] - [ 0.0006818700000000, -0.0004657300000000, 0.0017157800000000 ] - [ 0.0003903400000000, -0.0002412600000000, 0.0006621500000000 ] - [ 0.0000000000000000, -0.0008056800000000, 0.0001344200000000 ] - [ 0.0000000000000000, -0.0004776400000000, -0.0001096900000000 ] - [ -0.0002440000000000, 0.0000524800000000, -0.0004331000000000 ] - [ -0.0003305300000000, -0.0000484900000000, -0.0004295700000000 ] - [ -0.0003903400000000, -0.0002412600000000, 0.0006621500000000 ] - [ -0.0006818700000000, -0.0004657300000000, 0.0017157800000000 ] - [ 0.0000000000000000, -0.0064925700000000, -0.0037073700000000 ] - [ 0.0000000000000000, -0.0000497500000000, 0.0005699900000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0001510400000000, -0.0004542600000000 ] - [ 0.0000000000000000, 0.0000335000000000, -0.0007097500000000 ] - [ 0.0000000000000000, 0.0006971400000000, -0.0000619200000000 ] - [ 0.0000000000000000, 0.0003090000000000, -0.0000340800000000 ] - [ 0.0000550500000000, 0.0000725400000000, 0.0001957800000000 ] - [ -0.0000550500000000, 0.0000725400000000, 0.0001957800000000 ] - [ 0.0000000000000000, 0.0007375800000000, -0.0012499300000000 ] - [ 0.0000000000000000, 0.0006742400000000, -0.0006075100000000 ] - [ 0.0000000000000000, -0.0327704000000000, -0.0052967100000000 ] - [ 0.0000000000000000, -0.0009387300000000, 0.0013078400000000 ] - [ 0.0027577100000000, -0.0024089300000000, -0.0046773600000000 ] - [ -0.0027577100000000, -0.0024089300000000, -0.0046773600000000 ] - [ 0.0000000000000000, 0.0127033400000000, 0.0025719300000000 ] - [ 0.0000000000000000, 0.0011849300000000, -0.0010352100000000 ] - [ -0.0083235600000000, 0.0002256400000000, -0.0108074400000000 ] - [ 0.0083235600000000, 0.0002256400000000, -0.0108074400000000 ] - [ -0.0106835200000000, 0.0017766400000000, 0.0082705700000000 ] - [ 0.0106835200000000, 0.0017766400000000, 0.0082705700000000 ] - [ -0.0002268900000000, 0.0003215100000000, -0.0007370100000000 ] - [ 0.0002268900000000, 0.0003215100000000, -0.0007370100000000 ] - [ 0.0001064800000000, -0.0004136300000000, -0.0005927600000000 ] - [ -0.0001064800000000, -0.0004136300000000, -0.0005927600000000 ] - [ 0.0000236200000000, -0.0003098100000000, 0.0001516800000000 ] - [ -0.0000236200000000, -0.0003098100000000, 0.0001516800000000 ] - [ 0.0000000000000000, -0.0003755400000000, 0.0006000600000000 ] - [ 0.0000000000000000, -0.0002300300000000, 0.0003676400000000 ] - [ 0.0002862900000000, 0.0011658500000000, 0.0003669800000000 ] - [ -0.0002862900000000, 0.0011658500000000, 0.0003669800000000 ] - [ 0.0184662000000000, -0.0001397100000000, 0.0060285400000000 ] - [ -0.0184662000000000, -0.0001397100000000, 0.0060285400000000 ] - [ 0.0000000000000000, -0.0055306200000000, 0.0047360100000000 ] - [ 0.0000000000000000, -0.0012058400000000, 0.0001745200000000 ] - [ 0.0002182500000000, -0.0015704000000000, -0.0009995200000000 ] - [ -0.0002182500000000, -0.0015704000000000, -0.0009995200000000 ] - [ 0.0000000000000000, -0.0149278300000000, 0.0101183600000000 ] - [ 0.0000000000000000, -0.0008039000000000, 0.0010328400000000 ] - [ 0.0000000000000000, -0.0184483400000000, -0.0084099700000000 ] - [ 0.0000000000000000, -0.0003634200000000, -0.0004378400000000 ] - [ 0.0000000000000000, -0.0007506200000000, -0.0017697200000000 ] - [ 0.0000000000000000, -0.0002689100000000, -0.0011513500000000 ] - [ 0.0000000000000000, 0.3192819400000000, -0.0186893300000000 ] - [ 0.0000000000000000, 0.0075815600000000, 0.0049548700000000 ] - [ 0.0000000000000000, 0.0645950600000000, -0.0123818300000000 ] - [ 0.0000000000000000, 0.0030450900000000, -0.0016390600000000 ] - [ -0.0000406100000000, -0.0001802400000000, -0.0000251000000000 ] - [ 0.0000406100000000, -0.0001802400000000, -0.0000251000000000 ] - [ 0.0004870200000000, -0.0003188800000000, -0.0032454600000000 ] - [ -0.0004870200000000, -0.0003188800000000, -0.0032454600000000 ] - [ 0.0013368700000000, -0.0091166100000000, -0.0000343100000000 ] - [ -0.0013368700000000, -0.0091166100000000, -0.0000343100000000 ] - [ -0.0012193300000000, -0.0036251900000000, -0.0021253900000000 ] - [ 0.0012193300000000, -0.0036251900000000, -0.0021253900000000 ] - [ 0.0000000000000000, -0.0004407000000000, 0.0003694900000000 ] - [ 0.0000000000000000, -0.0003709300000000, 0.0001909800000000 ] - [ 0.0000000000000000, -0.0004657400000000, -0.0009805900000000 ] - [ 0.0000000000000000, -0.0004965300000000, -0.0021792600000000 ] - [ 0.0000000000000000, -0.0016226000000000, -0.0006029800000000 ] - [ 0.0000000000000000, -0.0008804700000000, 0.0007104700000000 ] - [ -0.0487910100000000, -0.0616693100000000, -0.0245559500000000 ] - [ -0.0036874700000000, -0.0022071000000000, -0.0019847600000000 ] - [ -0.0005369400000000, -0.0057046500000000, 0.0020061900000000 ] - [ 0.0003793900000000, -0.0007951500000000, 0.0007231300000000 ] - [ 0.0000000000000000, -0.0235229600000000, -0.0313138400000000 ] - [ 0.0000000000000000, -0.0011572900000000, -0.0008587900000000 ] - [ 0.0033096800000000, -0.0238433300000000, 0.0090037700000000 ] - [ 0.0031500600000000, -0.0022505500000000, -0.0008838200000000 ] - [ 0.0036874700000000, -0.0022071000000000, -0.0019847600000000 ] - [ 0.0487910100000000, -0.0616693100000000, -0.0245559500000000 ] - [ -0.0003793900000000, -0.0007951500000000, 0.0007231300000000 ] - [ 0.0005369400000000, -0.0057046500000000, 0.0020061900000000 ] - [ -0.0031500600000000, -0.0022505500000000, -0.0008838200000000 ] - [ -0.0033096800000000, -0.0238433300000000, 0.0090037700000000 ] - [ 0.0000000000000000, -0.1310439100000000, 0.0827005700000000 ] - [ 0.0000000000000000, -0.0027816500000000, 0.0007305400000000 ] - [ 0.0000000000000000, -0.0067816900000000, 0.0059550100000000 ] - [ 0.0000000000000000, -0.0006469800000000, -0.0001801100000000 ] - [ 0.0000108900000000, 0.0002508000000000, 0.0003759500000000 ] - [ -0.0000108900000000, 0.0002508000000000, 0.0003759500000000 ] - [ 0.0000398400000000, 0.0009342300000000, 0.0006602100000000 ] - [ -0.0000398400000000, 0.0009342300000000, 0.0006602100000000 ] - [ 0.0004512600000000, -0.0000299400000000, 0.0000724600000000 ] - [ 0.0004430100000000, -0.0000624500000000, 0.0001546600000000 ] - [ 0.0004155300000000, -0.0000858900000000, 0.0000051400000000 ] - [ 0.0004382200000000, -0.0001254900000000, -0.0000162900000000 ] - [ -0.0004430100000000, -0.0000624500000000, 0.0001546600000000 ] - [ -0.0004512600000000, -0.0000299400000000, 0.0000724600000000 ] - [ 0.0003839000000000, -0.0004729300000000, 0.0024771200000000 ] - [ 0.0015799100000000, -0.0012551700000000, 0.0013146300000000 ] - [ -0.0000478300000000, -0.0006953400000000, 0.0005406100000000 ] - [ 0.0000478300000000, -0.0006953400000000, 0.0005406100000000 ] - [ -0.0004382200000000, -0.0001254900000000, -0.0000162900000000 ] - [ -0.0004155300000000, -0.0000858900000000, 0.0000051400000000 ] - [ -0.0015799100000000, -0.0012551700000000, 0.0013146300000000 ] - [ -0.0003839000000000, -0.0004729300000000, 0.0024771200000000 ] - [ -0.0015267300000000, -0.0047097300000000, -0.0010142800000000 ] - [ 0.0015267300000000, -0.0047097300000000, -0.0010142800000000 ] - [ 0.0000948200000000, -0.0003428600000000, 0.0021624400000000 ] - [ -0.0000948200000000, -0.0003428600000000, 0.0021624400000000 ] - [ 0.0001461100000000, 0.0019401500000000, -0.0002258600000000 ] - [ 0.0048536500000000, 0.0080886900000000, 0.0010282000000000 ] - [ 0.0007554200000000, 0.0006704200000000, 0.0007210400000000 ] - [ 0.0002730300000000, 0.0015302400000000, 0.0009686200000000 ] - [ -0.0010694800000000, 0.0042062700000000, 0.0007970900000000 ] - [ 0.0010694800000000, 0.0042062700000000, 0.0007970900000000 ] - [ 0.0001810600000000, 0.0012324400000000, -0.0000138400000000 ] - [ -0.0018150400000000, 0.0046551400000000, -0.0013497000000000 ] - [ -0.0048536500000000, 0.0080886900000000, 0.0010282000000000 ] - [ -0.0001461100000000, 0.0019401500000000, -0.0002258600000000 ] - [ -0.0002730300000000, 0.0015302400000000, 0.0009686200000000 ] - [ -0.0007554200000000, 0.0006704200000000, 0.0007210400000000 ] - [ 0.0018150400000000, 0.0046551400000000, -0.0013497000000000 ] - [ -0.0001810600000000, 0.0012324400000000, -0.0000138400000000 ] - [ 0.0021062000000000, 0.0052158900000000, -0.0013522900000000 ] - [ -0.0021062000000000, 0.0052158900000000, -0.0013522900000000 ] - [ 0.0005658500000000, 0.0019405000000000, -0.0008212500000000 ] - [ -0.0005658500000000, 0.0019405000000000, -0.0008212500000000 ] - [ 0.0000000000000000, -0.0006277700000000, 0.0002000200000000 ] - [ 0.0000000000000000, -0.0002391700000000, 0.0001554400000000 ] - [ 0.0000000000000000, 0.0007844900000000, 0.0006269700000000 ] - [ 0.0000000000000000, 0.0008244600000000, 0.0006137400000000 ] - [ 0.0004614600000000, -0.0000634500000000, -0.0002933600000000 ] - [ 0.0005652500000000, -0.0000064200000000, -0.0000917600000000 ] - [ 0.0003095200000000, 0.0002074200000000, -0.0000501700000000 ] - [ 0.0003957500000000, 0.0001069600000000, -0.0000458500000000 ] - [ -0.0005652500000000, -0.0000064200000000, -0.0000917600000000 ] - [ -0.0004614600000000, -0.0000634500000000, -0.0002933600000000 ] - [ 0.0000495000000000, 0.0003911100000000, -0.0001134500000000 ] - [ 0.0003401100000000, 0.0001709200000000, 0.0009464100000000 ] - [ 0.0000000000000000, 0.0001253700000000, 0.0001139900000000 ] - [ 0.0000000000000000, -0.0001971600000000, 0.0003586700000000 ] - [ -0.0003957500000000, 0.0001069600000000, -0.0000458500000000 ] - [ -0.0003095200000000, 0.0002074200000000, -0.0000501700000000 ] - [ -0.0003401100000000, 0.0001709200000000, 0.0009464100000000 ] - [ -0.0000495000000000, 0.0003911100000000, -0.0001134500000000 ] - [ 0.0000000000000000, 0.0080952200000000, 0.0049248000000000 ] - [ 0.0000000000000000, 0.0016653800000000, 0.0007007500000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0002833000000000, 0.0025557100000000 ] - [ 0.0000000000000000, -0.0001706200000000, 0.0013754300000000 ] - [ 0.0000000000000000, 0.0000036900000000, 0.0078496100000000 ] - [ 0.0000000000000000, 0.0003798100000000, 0.0025437000000000 ] - [ -0.0001983100000000, -0.0003533100000000, 0.0032768000000000 ] - [ 0.0001983100000000, -0.0003533100000000, 0.0032768000000000 ] - [ 0.0000000000000000, 0.0013683900000000, 0.0027350100000000 ] - [ 0.0000000000000000, 0.0014393600000000, 0.0010599700000000 ] - [ 0.0000000000000000, 0.0106471600000000, -0.0100439900000000 ] - [ 0.0000000000000000, 0.0003881900000000, -0.0020770900000000 ] - [ -0.0065950100000000, 0.0030474100000000, 0.0042954500000000 ] - [ 0.0065950100000000, 0.0030474100000000, 0.0042954500000000 ] - [ 0.0000000000000000, 0.0004013900000000, 0.0383643000000000 ] - [ 0.0000000000000000, -0.0004470800000000, -0.0007907700000000 ] - [ 0.0090170400000000, 0.0026495200000000, 0.0075428300000000 ] - [ -0.0090170400000000, 0.0026495200000000, 0.0075428300000000 ] - [ -0.0091053900000000, -0.0060908400000000, -0.0100306200000000 ] - [ 0.0091053900000000, -0.0060908400000000, -0.0100306200000000 ] - [ -0.0027262000000000, -0.0020045600000000, 0.0027420900000000 ] - [ 0.0027262000000000, -0.0020045600000000, 0.0027420900000000 ] - [ 0.0002381000000000, 0.0000138200000000, 0.0013828000000000 ] - [ -0.0002381000000000, 0.0000138200000000, 0.0013828000000000 ] - [ -0.0005941600000000, 0.0007181000000000, 0.0025897500000000 ] - [ 0.0005941600000000, 0.0007181000000000, 0.0025897500000000 ] - [ 0.0000000000000000, -0.0006280800000000, 0.0036421400000000 ] - [ 0.0000000000000000, -0.0003064400000000, 0.0024618900000000 ] - [ 0.0009721100000000, 0.0001954400000000, 0.0026351200000000 ] - [ -0.0009721100000000, 0.0001954400000000, 0.0026351200000000 ] - [ 0.0078619000000000, -0.0039348000000000, -0.0126021600000000 ] - [ -0.0078619000000000, -0.0039348000000000, -0.0126021600000000 ] - [ 0.0000000000000000, -0.0080709400000000, 0.0032115100000000 ] - [ 0.0000000000000000, -0.0012927500000000, -0.0008038800000000 ] - [ 0.0012851100000000, 0.0004669700000000, -0.0006539900000000 ] - [ -0.0012851100000000, 0.0004669700000000, -0.0006539900000000 ] - [ 0.0000000000000000, -0.0097699200000000, 0.0045198600000000 ] - [ 0.0000000000000000, -0.0003099000000000, -0.0008814400000000 ] - [ 0.0000000000000000, 0.0110164700000000, -0.0099193100000000 ] - [ 0.0000000000000000, 0.0007890000000000, -0.0027683600000000 ] - [ 0.0000000000000000, 0.0025483600000000, 0.0042567600000000 ] - [ 0.0000000000000000, 0.0003083200000000, 0.0005620700000000 ] - [ 0.0000000000000000, 0.0176190500000000, -0.3479609500000000 ] - [ 0.0000000000000000, -0.0039545700000000, -0.0100479400000000 ] - [ 0.0000000000000000, 0.0079609200000000, 0.0994768200000000 ] - [ 0.0000000000000000, -0.0001982100000000, -0.0053312000000000 ] - [ -0.0007329900000000, -0.0009985200000000, 0.0064148300000000 ] - [ 0.0007329900000000, -0.0009985200000000, 0.0064148300000000 ] - [ 0.0016110600000000, 0.0006439800000000, 0.0047657800000000 ] - [ -0.0016110600000000, 0.0006439800000000, 0.0047657800000000 ] - [ 0.0019131900000000, 0.0010020500000000, -0.0102909300000000 ] - [ -0.0019131900000000, 0.0010020500000000, -0.0102909300000000 ] - [ -0.0023526000000000, 0.0010968200000000, -0.0058722700000000 ] - [ 0.0023526000000000, 0.0010968200000000, -0.0058722700000000 ] - [ 0.0000000000000000, -0.0006098200000000, 0.0071166800000000 ] - [ 0.0000000000000000, -0.0007824400000000, 0.0046246200000000 ] - [ 0.0000000000000000, -0.0039872200000000, 0.0047638600000000 ] - [ 0.0000000000000000, -0.0011485900000000, 0.0015689100000000 ] - [ 0.0000000000000000, 0.0005344500000000, -0.0033416100000000 ] - [ 0.0000000000000000, -0.0004474700000000, -0.0005904500000000 ] - [ 0.0286358900000000, 0.0184508100000000, 0.0386407300000000 ] - [ 0.0042346700000000, 0.0013577100000000, 0.0044778100000000 ] - [ 0.0099631500000000, 0.0028720200000000, -0.0110957800000000 ] - [ -0.0019139100000000, 0.0003612700000000, 0.0013088400000000 ] - [ 0.0000000000000000, 0.0056874700000000, 0.0077885700000000 ] - [ 0.0000000000000000, 0.0007251600000000, 0.0026632000000000 ] - [ -0.0205143300000000, 0.0101001700000000, 0.0421655200000000 ] - [ -0.0024240500000000, 0.0005778800000000, 0.0041801400000000 ] - [ -0.0042346700000000, 0.0013577100000000, 0.0044778100000000 ] - [ -0.0286358900000000, 0.0184508100000000, 0.0386407300000000 ] - [ 0.0019139100000000, 0.0003612700000000, 0.0013088400000000 ] - [ -0.0099631500000000, 0.0028720200000000, -0.0110957800000000 ] - [ 0.0024240500000000, 0.0005778800000000, 0.0041801400000000 ] - [ 0.0205143300000000, 0.0101001700000000, 0.0421655200000000 ] - [ 0.0000000000000000, -0.0826870700000000, 0.0892498200000000 ] - [ 0.0000000000000000, -0.0015826800000000, 0.0028331800000000 ] - [ 0.0000000000000000, -0.0115878500000000, -0.0101820900000000 ] - [ 0.0000000000000000, 0.0001027400000000, 0.0005555900000000 ] - [ -0.0003356900000000, -0.0004157300000000, -0.0013417000000000 ] - [ 0.0003356900000000, -0.0004157300000000, -0.0013417000000000 ] - [ 0.0001460800000000, -0.0000290000000000, -0.0021560800000000 ] - [ -0.0001460800000000, -0.0000290000000000, -0.0021560800000000 ] - [ 0.0004207400000000, -0.0001609200000000, -0.0032469600000000 ] - [ 0.0006167100000000, -0.0000477500000000, -0.0032961800000000 ] - [ -0.0000562400000000, 0.0005861600000000, -0.0021231400000000 ] - [ -0.0014033800000000, 0.0010869100000000, -0.0035821800000000 ] - [ -0.0006167100000000, -0.0000477500000000, -0.0032961800000000 ] - [ -0.0004207400000000, -0.0001609200000000, -0.0032469600000000 ] - [ 0.0002021600000000, -0.0003624300000000, -0.0019081500000000 ] - [ 0.0038872700000000, -0.0022397300000000, -0.0039336000000000 ] - [ -0.0001003500000000, -0.0000224200000000, -0.0026364300000000 ] - [ 0.0001003500000000, -0.0000224200000000, -0.0026364300000000 ] - [ 0.0014033800000000, 0.0010869100000000, -0.0035821800000000 ] - [ 0.0000562400000000, 0.0005861600000000, -0.0021231400000000 ] - [ -0.0038872700000000, -0.0022397300000000, -0.0039336000000000 ] - [ -0.0002021600000000, -0.0003624300000000, -0.0019081500000000 ] - [ -0.0053629500000000, 0.0036476800000000, -0.0004623000000000 ] - [ 0.0053629500000000, 0.0036476800000000, -0.0004623000000000 ] - [ 0.0008962300000000, -0.0019386000000000, -0.0029111400000000 ] - [ -0.0008962300000000, -0.0019386000000000, -0.0029111400000000 ] - [ 0.0001220300000000, 0.0004099000000000, 0.0015424500000000 ] - [ 0.0038562000000000, 0.0032435700000000, 0.0045780200000000 ] - [ 0.0007258800000000, -0.0001917500000000, 0.0009461300000000 ] - [ -0.0021528300000000, -0.0006263700000000, 0.0017787600000000 ] - [ 0.0014127800000000, -0.0026030500000000, 0.0034680000000000 ] - [ -0.0014127800000000, -0.0026030500000000, 0.0034680000000000 ] - [ 0.0005336400000000, 0.0003745900000000, 0.0035058800000000 ] - [ -0.0007975200000000, 0.0007850500000000, 0.0050714800000000 ] - [ -0.0038562000000000, 0.0032435700000000, 0.0045780200000000 ] - [ -0.0001220300000000, 0.0004099000000000, 0.0015424500000000 ] - [ 0.0021528300000000, -0.0006263700000000, 0.0017787600000000 ] - [ -0.0007258800000000, -0.0001917500000000, 0.0009461300000000 ] - [ 0.0007975200000000, 0.0007850500000000, 0.0050714800000000 ] - [ -0.0005336400000000, 0.0003745900000000, 0.0035058800000000 ] - [ -0.0019591100000000, -0.0054292200000000, 0.0038978700000000 ] - [ 0.0019591100000000, -0.0054292200000000, 0.0038978700000000 ] - [ 0.0015057700000000, 0.0014466000000000, 0.0010414900000000 ] - [ -0.0015057700000000, 0.0014466000000000, 0.0010414900000000 ] - [ 0.0000000000000000, 0.0050761100000000, -0.0066317000000000 ] - [ 0.0000000000000000, 0.0009303700000000, -0.0013691500000000 ] - [ 0.0000000000000000, -0.0008604100000000, -0.0029317000000000 ] - [ 0.0000000000000000, 0.0000243700000000, -0.0013368300000000 ] - [ 0.0004667400000000, 0.0003077500000000, -0.0035356600000000 ] - [ 0.0007130000000000, 0.0001665900000000, -0.0023421700000000 ] - [ -0.0002213000000000, 0.0006881000000000, -0.0026031000000000 ] - [ -0.0003817600000000, 0.0004920000000000, -0.0019511500000000 ] - [ -0.0007130000000000, 0.0001665900000000, -0.0023421700000000 ] - [ -0.0004667400000000, 0.0003077500000000, -0.0035356600000000 ] - [ 0.0002634100000000, 0.0001830700000000, -0.0010351100000000 ] - [ 0.0012781300000000, -0.0000840000000000, -0.0001687500000000 ] - [ 0.0000000000000000, 0.0002566000000000, -0.0030730600000000 ] - [ 0.0000000000000000, -0.0002069000000000, -0.0015985200000000 ] - [ 0.0003817600000000, 0.0004920000000000, -0.0019511500000000 ] - [ 0.0002213000000000, 0.0006881000000000, -0.0026031000000000 ] - [ -0.0012781300000000, -0.0000840000000000, -0.0001687500000000 ] - [ -0.0002634100000000, 0.0001830700000000, -0.0010351100000000 ] - [ 0.0000000000000000, 0.0012021700000000, -0.0003123300000000 ] - [ 0.0000000000000000, 0.0004782100000000, 0.0012750900000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0005752500000000, -0.0033870900000000 ] - [ 0.0000000000000000, -0.0001241200000000, -0.0022088400000000 ] - [ 0.0000000000000000, 0.0003223900000000, -0.0073269200000000 ] - [ 0.0000000000000000, -0.0000583000000000, -0.0019582800000000 ] - [ 0.0002047800000000, 0.0000572800000000, -0.0021117400000000 ] - [ -0.0002047800000000, 0.0000572800000000, -0.0021117400000000 ] - [ 0.0000000000000000, 0.0005617800000000, -0.0029154100000000 ] - [ 0.0000000000000000, 0.0004894700000000, -0.0012315500000000 ] - [ 0.0000000000000000, -0.0104777400000000, 0.0112720500000000 ] - [ 0.0000000000000000, -0.0000982400000000, 0.0032839300000000 ] - [ 0.0066720600000000, -0.0050295800000000, -0.0044668400000000 ] - [ -0.0066720600000000, -0.0050295800000000, -0.0044668400000000 ] - [ 0.0000000000000000, -0.0003957800000000, -0.0398174700000000 ] - [ 0.0000000000000000, 0.0004819100000000, -0.0010185400000000 ] - [ -0.0090747500000000, -0.0029658200000000, -0.0070434600000000 ] - [ 0.0090747500000000, -0.0029658200000000, -0.0070434600000000 ] - [ 0.0091811000000000, 0.0064292700000000, 0.0093559500000000 ] - [ -0.0091811000000000, 0.0064292700000000, 0.0093559500000000 ] - [ 0.0027636500000000, 0.0020067100000000, -0.0045671300000000 ] - [ -0.0027636500000000, 0.0020067100000000, -0.0045671300000000 ] - [ -0.0002352600000000, -0.0003117600000000, -0.0022141600000000 ] - [ 0.0002352600000000, -0.0003117600000000, -0.0022141600000000 ] - [ 0.0006023400000000, -0.0003999600000000, -0.0020038800000000 ] - [ -0.0006023400000000, -0.0003999600000000, -0.0020038800000000 ] - [ 0.0000000000000000, 0.0003347200000000, -0.0024801200000000 ] - [ 0.0000000000000000, 0.0000119200000000, -0.0012897200000000 ] - [ -0.0009692300000000, 0.0017410600000000, -0.0028091800000000 ] - [ 0.0009692300000000, 0.0017410600000000, -0.0028091800000000 ] - [ -0.0079484000000000, 0.0042832000000000, 0.0138318700000000 ] - [ 0.0079484000000000, 0.0042832000000000, 0.0138318700000000 ] - [ 0.0000000000000000, 0.0062415900000000, -0.0034030800000000 ] - [ 0.0000000000000000, -0.0006380600000000, 0.0006690500000000 ] - [ -0.0012915300000000, -0.0004514600000000, -0.0011605600000000 ] - [ 0.0012915300000000, -0.0004514600000000, -0.0011605600000000 ] - [ 0.0000000000000000, 0.0095044600000000, -0.0039787900000000 ] - [ 0.0000000000000000, -0.0000124000000000, 0.0014747000000000 ] - [ 0.0000000000000000, -0.0107958300000000, 0.0092146600000000 ] - [ 0.0000000000000000, -0.0004995700000000, 0.0019789500000000 ] - [ 0.0000000000000000, -0.0026056100000000, -0.0060944900000000 ] - [ 0.0000000000000000, -0.0003383000000000, -0.0023590900000000 ] - [ 0.0000000000000000, -0.0130918400000000, 0.3502579900000000 ] - [ 0.0000000000000000, 0.0046455600000000, 0.0114461800000000 ] - [ 0.0000000000000000, -0.0072178600000000, -0.1053400200000000 ] - [ 0.0000000000000000, 0.0011393700000000, 0.0017824900000000 ] - [ 0.0007483000000000, 0.0003577800000000, -0.0051564300000000 ] - [ -0.0007483000000000, 0.0003577800000000, -0.0051564300000000 ] - [ -0.0015979800000000, -0.0015767800000000, -0.0084420400000000 ] - [ 0.0015979800000000, -0.0015767800000000, -0.0084420400000000 ] - [ -0.0019378800000000, -0.0003610600000000, 0.0116922100000000 ] - [ 0.0019378800000000, -0.0003610600000000, 0.0116922100000000 ] - [ 0.0023734700000000, -0.0001674400000000, 0.0023151300000000 ] - [ -0.0023734700000000, -0.0001674400000000, 0.0023151300000000 ] - [ 0.0000000000000000, -0.0000395700000000, -0.0058532700000000 ] - [ 0.0000000000000000, 0.0001387200000000, -0.0033499400000000 ] - [ 0.0000000000000000, 0.0030266900000000, -0.0084162300000000 ] - [ 0.0000000000000000, 0.0002204200000000, -0.0052215400000000 ] - [ 0.0000000000000000, -0.0021604400000000, 0.0046479800000000 ] - [ 0.0000000000000000, -0.0011578800000000, 0.0018700200000000 ] - [ -0.0267210000000000, -0.0178441200000000, -0.0386333300000000 ] - [ -0.0036413900000000, -0.0015283900000000, -0.0049887200000000 ] - [ -0.0093037900000000, -0.0028344700000000, 0.0128671300000000 ] - [ 0.0026785600000000, -0.0002954100000000, 0.0002802800000000 ] - [ 0.0000000000000000, -0.0045409400000000, -0.0081027100000000 ] - [ 0.0000000000000000, -0.0000530800000000, -0.0024425600000000 ] - [ 0.0229204800000000, -0.0108982800000000, -0.0437743000000000 ] - [ 0.0034401400000000, -0.0005375400000000, -0.0048278700000000 ] - [ 0.0036413900000000, -0.0015283900000000, -0.0049887200000000 ] - [ 0.0267210000000000, -0.0178441200000000, -0.0386333300000000 ] - [ -0.0026785600000000, -0.0002954100000000, 0.0002802800000000 ] - [ 0.0093037900000000, -0.0028344700000000, 0.0128671300000000 ] - [ -0.0034401400000000, -0.0005375400000000, -0.0048278700000000 ] - [ -0.0229204800000000, -0.0108982800000000, -0.0437743000000000 ] - [ 0.0000000000000000, 0.0770382100000000, -0.0863050000000000 ] - [ 0.0000000000000000, 0.0000520400000000, -0.0020610000000000 ] - [ 0.0000000000000000, 0.0117221900000000, 0.0101781900000000 ] - [ 0.0000000000000000, -0.0001286500000000, -0.0006608900000000 ] - [ 0.0003346800000000, 0.0004301400000000, 0.0012707300000000 ] - [ -0.0003346800000000, 0.0004301400000000, 0.0012707300000000 ] - [ -0.0001486900000000, 0.0015683400000000, 0.0029604100000000 ] - [ 0.0001486900000000, 0.0015683400000000, 0.0029604100000000 ] - [ 0.0005760500000000, 0.0001138300000000, 0.0026729700000000 ] - [ 0.0003858800000000, 0.0000007900000000, 0.0027224500000000 ] - [ 0.0006914800000000, -0.0004295600000000, 0.0016609500000000 ] - [ 0.0020638500000000, -0.0009403300000000, 0.0031414900000000 ] - [ -0.0003858800000000, 0.0000007900000000, 0.0027224500000000 ] - [ -0.0005760500000000, 0.0001138300000000, 0.0026729700000000 ] - [ 0.0005242400000000, 0.0002976700000000, 0.0035583100000000 ] - [ -0.0031512100000000, 0.0021670700000000, 0.0055652600000000 ] - [ 0.0000975500000000, -0.0006605700000000, 0.0029100500000000 ] - [ -0.0000975500000000, -0.0006605700000000, 0.0029100500000000 ] - [ -0.0020638500000000, -0.0009403300000000, 0.0031414900000000 ] - [ -0.0006914800000000, -0.0004295600000000, 0.0016609500000000 ] - [ 0.0031512100000000, 0.0021670700000000, 0.0055652600000000 ] - [ -0.0005242400000000, 0.0002976700000000, 0.0035583100000000 ] - [ 0.0053727000000000, -0.0020760300000000, 0.0017603900000000 ] - [ -0.0053727000000000, -0.0020760300000000, 0.0017603900000000 ] - [ -0.0009093300000000, 0.0003491700000000, 0.0042115000000000 ] - [ 0.0009093300000000, 0.0003491700000000, 0.0042115000000000 ] - [ 0.0005236500000000, -0.0005704300000000, -0.0020271600000000 ] - [ -0.0032471400000000, -0.0034315300000000, -0.0050819100000000 ] - [ 0.0000069900000000, 0.0002633600000000, 0.0006506600000000 ] - [ 0.0029123200000000, 0.0007044200000000, -0.0001919500000000 ] - [ -0.0014210000000000, 0.0033016900000000, -0.0032573500000000 ] - [ 0.0014210000000000, 0.0033016900000000, -0.0032573500000000 ] - [ 0.0004707100000000, -0.0003298900000000, -0.0041458600000000 ] - [ 0.0018089200000000, -0.0007482800000000, -0.0057282500000000 ] - [ 0.0032471400000000, -0.0034315300000000, -0.0050819100000000 ] - [ -0.0005236500000000, -0.0005704300000000, -0.0020271600000000 ] - [ -0.0029123200000000, 0.0007044200000000, -0.0001919500000000 ] - [ -0.0000069900000000, 0.0002633600000000, 0.0006506600000000 ] - [ -0.0018089200000000, -0.0007482800000000, -0.0057282500000000 ] - [ -0.0004707100000000, -0.0003298900000000, -0.0041458600000000 ] - [ 0.0019774300000000, 0.0039363500000000, -0.0031355200000000 ] - [ -0.0019774300000000, 0.0039363500000000, -0.0031355200000000 ] - [ -0.0015238500000000, -0.0014801800000000, -0.0011574800000000 ] - [ 0.0015238500000000, -0.0014801800000000, -0.0011574800000000 ] - [ 0.0000000000000000, -0.0050197700000000, 0.0065179600000000 ] - [ 0.0000000000000000, -0.0009245200000000, 0.0012954200000000 ] - [ 0.0000000000000000, 0.0024124500000000, 0.0037452400000000 ] - [ 0.0000000000000000, 0.0015164900000000, 0.0021332900000000 ] - [ 0.0005309100000000, -0.0003527000000000, 0.0029545400000000 ] - [ 0.0002882100000000, -0.0002132600000000, 0.0017598800000000 ] - [ 0.0008605800000000, -0.0005324800000000, 0.0021452000000000 ] - [ 0.0010260900000000, -0.0003370400000000, 0.0014895200000000 ] - [ -0.0002882100000000, -0.0002132600000000, 0.0017598800000000 ] - [ -0.0005309100000000, -0.0003527000000000, 0.0029545400000000 ] - [ 0.0004562100000000, -0.0002415800000000, 0.0026709300000000 ] - [ -0.0005552500000000, 0.0000217000000000, 0.0017921500000000 ] - [ 0.0000000000000000, -0.0009334600000000, 0.0033385000000000 ] - [ 0.0000000000000000, -0.0004725100000000, 0.0018636700000000 ] - [ -0.0010260900000000, -0.0003370400000000, 0.0014895200000000 ] - [ -0.0008605800000000, -0.0005324800000000, 0.0021452000000000 ] - [ 0.0005552500000000, 0.0000217000000000, 0.0017921500000000 ] - [ -0.0004562100000000, -0.0002415800000000, 0.0026709300000000 ] - [ 0.0000000000000000, 0.0004035100000000, 0.0016169700000000 ] - [ 0.0000000000000000, 0.0011280400000000, 0.0000056500000000 ]- atom: 43 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0005392700000000, -0.0001483000000000, -0.0004035100000000 ] - [ 0.0005979300000000, -0.0001473700000000, -0.0004070400000000 ] - [ -0.0144027700000000, 0.0001501100000000, 0.0003391300000000 ] - [ 0.0028938200000000, 0.0001612800000000, 0.0002866000000000 ] - [ 0.0000340500000000, -0.0000780000000000, -0.0012825500000000 ] - [ 0.0000405500000000, -0.0002135500000000, 0.0024663400000000 ] - [ -0.0003242300000000, 0.0009652000000000, -0.0000705900000000 ] - [ 0.0003115700000000, 0.0009649600000000, -0.0000720500000000 ] - [ -0.0017058300000000, 0.0001430300000000, 0.0005874800000000 ] - [ 0.0016303600000000, 0.0001506300000000, 0.0005928900000000 ] - [ 0.0225300700000000, -0.0214546000000000, -0.0052068400000000 ] - [ 0.0222669700000000, 0.0192668100000000, 0.0049359100000000 ] - [ -0.0006704100000000, 0.0000127100000000, -0.0008971400000000 ] - [ 0.0007116000000000, 0.0000131100000000, -0.0008915600000000 ] - [ 0.0001579400000000, 0.0000997400000000, 0.0009951200000000 ] - [ 0.0001631200000000, -0.0004155700000000, -0.0003932200000000 ] - [ 0.0123556200000000, 0.0106035500000000, 0.0098389000000000 ] - [ 0.0122270500000000, -0.0101692000000000, -0.0105633100000000 ] - [ 0.0092366500000000, 0.0091464600000000, -0.0125044600000000 ] - [ 0.0092561300000000, -0.0091497800000000, 0.0106665000000000 ] - [ 0.0000041300000000, -0.0000128100000000, -0.0006233900000000 ] - [ 0.0000075900000000, -0.0002841600000000, -0.0001895000000000 ] - [ -0.0000358600000000, -0.0003109600000000, -0.0012336500000000 ] - [ -0.0000251100000000, 0.0006225400000000, 0.0018238400000000 ] - [ -0.0008027700000000, -0.0001481600000000, 0.0005967000000000 ] - [ 0.0008464200000000, -0.0001483700000000, 0.0005909000000000 ] - [ -0.0000016600000000, 0.0007874200000000, 0.0002135200000000 ] - [ 0.0000004800000000, 0.0011431200000000, -0.0003579700000000 ] - [ 0.0035829900000000, -0.0017019600000000, 0.0064952100000000 ] - [ 0.0035692400000000, 0.0019838200000000, -0.0052614100000000 ] - [ -0.0101431400000000, -0.0009954200000000, -0.0000676900000000 ] - [ 0.0034804300000000, -0.0009614400000000, -0.0000797300000000 ] - [ 0.0000058100000000, 0.0000488500000000, -0.0002976200000000 ] - [ 0.0000061300000000, -0.0000228900000000, -0.0014906600000000 ] - [ -0.0010079700000000, -0.0001553600000000, 0.0002988900000000 ] - [ 0.0010366400000000, -0.0001593400000000, 0.0002998900000000 ] - [ -0.0073752100000000, 0.0001548100000000, -0.0004304800000000 ] - [ 0.0031685600000000, 0.0001421800000000, -0.0004067300000000 ] - [ -0.0038715100000000, 0.0000027200000000, -0.0008879800000000 ] - [ 0.0031281500000000, -0.0000166300000000, -0.0009032200000000 ] - [ -0.0726192900000000, 0.0003908200000000, 0.0004929000000000 ] - [ 0.0075588900000000, 0.0003320300000000, 0.0006719500000000 ] - [ -0.3011519400000000, -0.0018043700000000, 0.0024612900000000 ] - [ 0.0160307700000000, 0.0004658500000000, -0.0018011500000000 ] - [ -0.0002687800000000, -0.0008137000000000, -0.0009423600000000 ] - [ -0.0002560700000000, 0.0001579300000000, 0.0022666000000000 ] - [ 0.0000797400000000, -0.0003835500000000, -0.0020725600000000 ] - [ 0.0000823800000000, -0.0005517300000000, -0.0015299700000000 ] - [ -0.0001801400000000, -0.0009092100000000, 0.0030205600000000 ] - [ -0.0001716800000000, 0.0015504700000000, -0.0017052200000000 ] - [ -0.0002436100000000, 0.0022398500000000, -0.0010960600000000 ] - [ -0.0002166300000000, -0.0013209400000000, -0.0025428100000000 ] - [ -0.0015990700000000, -0.0003229900000000, 0.0006676600000000 ] - [ 0.0016069200000000, -0.0003256400000000, 0.0006563200000000 ] - [ -0.0006023600000000, -0.0004679500000000, -0.0018005700000000 ] - [ 0.0006287600000000, -0.0004677600000000, -0.0018031200000000 ] - [ 0.0067934300000000, -0.0007870000000000, 0.0006270600000000 ] - [ -0.0036865800000000, -0.0008009900000000, 0.0006427900000000 ] - [ 0.0082609300000000, 0.0010829600000000, -0.0038667400000000 ] - [ -0.0025304900000000, -0.0010703800000000, 0.0004938700000000 ] - [ 0.1106436600000000, 0.0341125500000000, -0.0648943700000000 ] - [ -0.0110031500000000, -0.0008847000000000, 0.0031587400000000 ] - [ 0.0211548100000000, 0.0001430500000000, -0.0002248700000000 ] - [ -0.0029226500000000, 0.0003373000000000, 0.0001240400000000 ] - [ 0.0245544000000000, -0.0036378600000000, -0.0260495600000000 ] - [ -0.0063462100000000, 0.0010422100000000, 0.0005111800000000 ] - [ -0.0031591800000000, 0.0009036700000000, -0.0009815100000000 ] - [ 0.0075915000000000, -0.0012289900000000, 0.0034050100000000 ] - [ -0.0117787500000000, 0.0009454600000000, -0.0015450500000000 ] - [ 0.1056793800000000, -0.0318217200000000, 0.0622446100000000 ] - [ -0.0073701800000000, -0.0009985500000000, -0.0011200200000000 ] - [ 0.0229168000000000, 0.0034856400000000, 0.0259561400000000 ] - [ 0.0061154300000000, -0.0007984300000000, 0.0004058900000000 ] - [ -0.0016725400000000, -0.0007630100000000, 0.0003855900000000 ] - [ 0.0216181900000000, 0.0004829900000000, -0.0001049500000000 ] - [ -0.0039810600000000, -0.0000074700000000, -0.0000432200000000 ] - [ -0.0000044700000000, -0.0000457800000000, -0.0000803700000000 ] - [ -0.0000045700000000, 0.0000690400000000, -0.0000167400000000 ] - [ 0.0002230000000000, 0.0009091900000000, 0.0029317100000000 ] - [ 0.0002207800000000, 0.0006303000000000, -0.0021407300000000 ] - [ 0.0002041600000000, -0.0001609600000000, -0.0000661400000000 ] - [ 0.0008141100000000, 0.0000704100000000, -0.0006871200000000 ] - [ -0.0003165600000000, 0.0000787900000000, 0.0003692900000000 ] - [ 0.0022456200000000, -0.0003988300000000, 0.0004281700000000 ] - [ -0.0001899300000000, -0.0001135500000000, 0.0000807200000000 ] - [ -0.0008040200000000, 0.0001184100000000, -0.0005395200000000 ] - [ 0.0001150100000000, -0.0000278900000000, 0.0008252700000000 ] - [ 0.0005918200000000, -0.0000065300000000, 0.0008259200000000 ] - [ 0.0000213300000000, -0.0004348800000000, 0.0004316700000000 ] - [ 0.0000196000000000, -0.0002503600000000, -0.0001876000000000 ] - [ 0.0016231000000000, 0.0005634500000000, -0.0009187300000000 ] - [ -0.0009600500000000, 0.0000761000000000, -0.0008394000000000 ] - [ -0.0001442000000000, -0.0000612300000000, 0.0007742200000000 ] - [ -0.0006248400000000, -0.0000416500000000, 0.0007733700000000 ] - [ 0.0002080700000000, 0.0001434900000000, -0.0011578400000000 ] - [ 0.0002048000000000, 0.0014561300000000, 0.0024253300000000 ] - [ -0.0007661000000000, 0.0023279900000000, 0.0053717300000000 ] - [ -0.0007862500000000, -0.0039174200000000, -0.0040625200000000 ] - [ -0.0007752900000000, 0.0004056500000000, -0.0008715100000000 ] - [ 0.0013331500000000, -0.0005346800000000, 0.0005808400000000 ] - [ -0.0015582000000000, 0.0000091200000000, 0.0016373500000000 ] - [ 0.0025281800000000, -0.0001342300000000, -0.0000754600000000 ] - [ -0.0005696200000000, 0.0039980200000000, -0.0017561700000000 ] - [ -0.0005676600000000, -0.0032785400000000, 0.0020056900000000 ] - [ -0.0007368400000000, -0.0001414400000000, -0.0011243500000000 ] - [ 0.0020908700000000, 0.0002041600000000, 0.0005043500000000 ] - [ 0.0006971400000000, 0.0003798400000000, -0.0010568700000000 ] - [ -0.0014157700000000, -0.0005595000000000, 0.0003974800000000 ] - [ 0.0018177000000000, 0.0002001000000000, 0.0016993100000000 ] - [ -0.0022996700000000, 0.0000620000000000, -0.0000296100000000 ] - [ 0.0010952700000000, -0.0001515000000000, -0.0010957000000000 ] - [ -0.0017463100000000, 0.0001837000000000, 0.0005258500000000 ] - [ 0.0000388200000000, -0.0003164400000000, -0.0005666000000000 ] - [ 0.0000379800000000, -0.0012244100000000, 0.0013526300000000 ] - [ -0.0018436400000000, -0.0057464500000000, -0.0015725100000000 ] - [ -0.0018537500000000, 0.0057194900000000, 0.0014940300000000 ] - [ 0.0001662300000000, 0.0000124800000000, -0.0000488700000000 ] - [ -0.0001803700000000, 0.0000124300000000, -0.0000486300000000 ] - [ 0.0005813000000000, 0.0007624400000000, 0.0003844000000000 ] - [ -0.0006539600000000, 0.0007690400000000, 0.0003948300000000 ] - [ 0.0010136200000000, 0.0001526000000000, -0.0002311300000000 ] - [ -0.0000113300000000, -0.0002018400000000, -0.0003784700000000 ] - [ 0.0012729700000000, -0.0001399400000000, 0.0004726500000000 ] - [ -0.0006470700000000, 0.0003131700000000, -0.0009353900000000 ] - [ -0.0010161500000000, 0.0001587500000000, -0.0002219600000000 ] - [ 0.0000040300000000, -0.0001941600000000, -0.0003748000000000 ] - [ 0.0006967000000000, -0.0000848300000000, 0.0006731000000000 ] - [ 0.0000384400000000, 0.0000146000000000, 0.0009333100000000 ] - [ 0.0002330600000000, -0.0003432200000000, 0.0001213200000000 ] - [ -0.0002317000000000, -0.0003422800000000, 0.0001238300000000 ] - [ -0.0012812800000000, -0.0001531400000000, 0.0004627500000000 ] - [ 0.0006303700000000, 0.0002981100000000, -0.0009517900000000 ] - [ -0.0007000100000000, -0.0000836900000000, 0.0006662900000000 ] - [ -0.0000448000000000, 0.0000146700000000, 0.0009245600000000 ] - [ 0.0004757800000000, 0.0008000800000000, 0.0006355400000000 ] - [ -0.0004084800000000, 0.0008005600000000, 0.0006354300000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0008359900000000, -0.0005350900000000 ] - [ 0.0000000000000000, -0.0005066900000000, -0.0004701000000000 ] - [ 0.0000000000000000, -0.0089084700000000, -0.0059721700000000 ] - [ 0.0000000000000000, -0.0011377200000000, -0.0000544000000000 ] - [ -0.0002755000000000, -0.0013036100000000, 0.0014870800000000 ] - [ 0.0002755000000000, -0.0013036100000000, 0.0014870800000000 ] - [ 0.0000000000000000, 0.0011069100000000, 0.0002357700000000 ] - [ 0.0000000000000000, 0.0011481400000000, -0.0000527500000000 ] - [ 0.0000000000000000, 0.0063286500000000, 0.0087264300000000 ] - [ 0.0000000000000000, 0.0006320500000000, 0.0007623600000000 ] - [ -0.0192644200000000, -0.0028752500000000, 0.0034808600000000 ] - [ 0.0192644200000000, -0.0028752500000000, 0.0034808600000000 ] - [ 0.0000000000000000, -0.0002860400000000, -0.0004924800000000 ] - [ 0.0000000000000000, -0.0001973300000000, -0.0007308900000000 ] - [ 0.0001858300000000, -0.0004323100000000, 0.0007927100000000 ] - [ -0.0001858300000000, -0.0004323100000000, 0.0007927100000000 ] - [ 0.0135656800000000, -0.0008282800000000, 0.0056388900000000 ] - [ -0.0135656800000000, -0.0008282800000000, 0.0056388900000000 ] - [ 0.0049058000000000, 0.0028607700000000, -0.0055206600000000 ] - [ -0.0049058000000000, 0.0028607700000000, -0.0055206600000000 ] - [ -0.0001956400000000, 0.0003947800000000, -0.0000714100000000 ] - [ 0.0001956400000000, 0.0003947800000000, -0.0000714100000000 ] - [ -0.0014253200000000, 0.0028512000000000, 0.0008811400000000 ] - [ 0.0014253200000000, 0.0028512000000000, 0.0008811400000000 ] - [ 0.0000000000000000, 0.0015345700000000, -0.0004813400000000 ] - [ 0.0000000000000000, 0.0004408100000000, 0.0002601200000000 ] - [ -0.0000552100000000, 0.0007667100000000, 0.0000775400000000 ] - [ 0.0000552100000000, 0.0007667100000000, 0.0000775400000000 ] - [ -0.0018806000000000, 0.0003501800000000, -0.0019267100000000 ] - [ 0.0018806000000000, 0.0003501800000000, -0.0019267100000000 ] - [ 0.0000000000000000, 0.0296679200000000, -0.0118104600000000 ] - [ 0.0000000000000000, -0.0001345900000000, 0.0001572200000000 ] - [ 0.0001426400000000, 0.0003195300000000, -0.0008668400000000 ] - [ -0.0001426400000000, 0.0003195300000000, -0.0008668400000000 ] - [ 0.0000000000000000, 0.0003162400000000, -0.0004425700000000 ] - [ 0.0000000000000000, -0.0000638700000000, 0.0002047200000000 ] - [ 0.0000000000000000, 0.0183693600000000, -0.0156328200000000 ] - [ 0.0000000000000000, 0.0003891500000000, -0.0007924200000000 ] - [ 0.0000000000000000, 0.0137122100000000, 0.0197339500000000 ] - [ 0.0000000000000000, 0.0005075600000000, -0.0010705200000000 ] - [ 0.0000000000000000, -0.0637551800000000, 0.0081212900000000 ] - [ 0.0000000000000000, -0.0022469300000000, -0.0000157000000000 ] - [ 0.0000000000000000, -0.2766843900000000, -0.0067750400000000 ] - [ 0.0000000000000000, -0.0042251100000000, -0.0013482100000000 ] - [ 0.0005947000000000, -0.0004871700000000, -0.0004467600000000 ] - [ -0.0005947000000000, -0.0004871700000000, -0.0004467600000000 ] - [ 0.0000836200000000, -0.0005500600000000, -0.0020606300000000 ] - [ -0.0000836200000000, -0.0005500600000000, -0.0020606300000000 ] - [ 0.0004206800000000, 0.0044158600000000, 0.0012894700000000 ] - [ -0.0004206800000000, 0.0044158600000000, 0.0012894700000000 ] - [ -0.0017600200000000, 0.0100154400000000, -0.0029592000000000 ] - [ 0.0017600200000000, 0.0100154400000000, -0.0029592000000000 ] - [ 0.0000000000000000, -0.0003183100000000, 0.0041670500000000 ] - [ 0.0000000000000000, -0.0002944600000000, 0.0013407800000000 ] - [ 0.0000000000000000, -0.0003474900000000, -0.0005167800000000 ] - [ 0.0000000000000000, -0.0004757000000000, -0.0012756400000000 ] - [ 0.0000000000000000, -0.0019105700000000, 0.0071856700000000 ] - [ 0.0000000000000000, -0.0010740800000000, 0.0009241300000000 ] - [ 0.0008199200000000, 0.0084330900000000, -0.0031594800000000 ] - [ 0.0012255700000000, 0.0008563300000000, -0.0008944100000000 ] - [ 0.0308700800000000, 0.0345050200000000, -0.0226801200000000 ] - [ 0.0022063400000000, 0.0021404000000000, 0.0002737900000000 ] - [ 0.0000000000000000, 0.0525780800000000, 0.0120179300000000 ] - [ 0.0000000000000000, 0.0016564000000000, 0.0005836300000000 ] - [ -0.0043486000000000, 0.0250710400000000, 0.0063266000000000 ] - [ -0.0008301100000000, 0.0018642300000000, 0.0000702900000000 ] - [ -0.0012255700000000, 0.0008563300000000, -0.0008944100000000 ] - [ -0.0008199200000000, 0.0084330900000000, -0.0031594800000000 ] - [ -0.0022063400000000, 0.0021404000000000, 0.0002737900000000 ] - [ -0.0308700800000000, 0.0345050200000000, -0.0226801200000000 ] - [ 0.0008301100000000, 0.0018642300000000, 0.0000702900000000 ] - [ 0.0043486000000000, 0.0250710400000000, 0.0063266000000000 ] - [ 0.0000000000000000, 0.0078350000000000, -0.0003220800000000 ] - [ 0.0000000000000000, -0.0001783000000000, 0.0002294500000000 ] - [ 0.0000000000000000, 0.1071596500000000, 0.0204681900000000 ] - [ 0.0000000000000000, 0.0020905100000000, 0.0006817800000000 ] - [ -0.0000555600000000, -0.0002127900000000, -0.0000425600000000 ] - [ 0.0000555600000000, -0.0002127900000000, -0.0000425600000000 ] - [ -0.0000804500000000, 0.0001697200000000, 0.0013461300000000 ] - [ 0.0000804500000000, 0.0001697200000000, 0.0013461300000000 ] - [ 0.0003372100000000, -0.0000916500000000, 0.0000327400000000 ] - [ 0.0005745200000000, -0.0000322300000000, 0.0000358800000000 ] - [ 0.0001116400000000, 0.0005553400000000, 0.0000418500000000 ] - [ 0.0010720400000000, 0.0001841800000000, 0.0011391100000000 ] - [ -0.0005745200000000, -0.0000322300000000, 0.0000358800000000 ] - [ -0.0003372100000000, -0.0000916500000000, 0.0000327400000000 ] - [ 0.0002950300000000, 0.0000451200000000, 0.0007930600000000 ] - [ 0.0003625300000000, 0.0000679600000000, 0.0007794000000000 ] - [ -0.0000280100000000, 0.0000486600000000, 0.0002490200000000 ] - [ 0.0000280100000000, 0.0000486600000000, 0.0002490200000000 ] - [ -0.0010720400000000, 0.0001841800000000, 0.0011391100000000 ] - [ -0.0001116400000000, 0.0005553400000000, 0.0000418500000000 ] - [ -0.0003625300000000, 0.0000679600000000, 0.0007794000000000 ] - [ -0.0002950300000000, 0.0000451200000000, 0.0007930600000000 ] - [ -0.0000919100000000, 0.0013676500000000, 0.0010265700000000 ] - [ 0.0000919100000000, 0.0013676500000000, 0.0010265700000000 ] - [ 0.0028912700000000, -0.0009046900000000, -0.0021292400000000 ] - [ -0.0028912700000000, -0.0009046900000000, -0.0021292400000000 ] - [ 0.0002867700000000, -0.0009037600000000, -0.0002126500000000 ] - [ -0.0014754200000000, -0.0017320500000000, 0.0010669900000000 ] - [ 0.0002064700000000, -0.0012297100000000, 0.0011435900000000 ] - [ -0.0033171400000000, -0.0080302600000000, 0.0032212400000000 ] - [ 0.0015453800000000, -0.0034634600000000, 0.0003894800000000 ] - [ -0.0015453800000000, -0.0034634600000000, 0.0003894800000000 ] - [ 0.0008267200000000, -0.0014782800000000, -0.0001068200000000 ] - [ 0.0026941900000000, -0.0057878300000000, -0.0010237000000000 ] - [ 0.0014754200000000, -0.0017320500000000, 0.0010669900000000 ] - [ -0.0002867700000000, -0.0009037600000000, -0.0002126500000000 ] - [ 0.0033171400000000, -0.0080302600000000, 0.0032212400000000 ] - [ -0.0002064700000000, -0.0012297100000000, 0.0011435900000000 ] - [ -0.0026941900000000, -0.0057878300000000, -0.0010237000000000 ] - [ -0.0008267200000000, -0.0014782800000000, -0.0001068200000000 ] - [ -0.0004132000000000, -0.0019701600000000, 0.0004437700000000 ] - [ 0.0004132000000000, -0.0019701600000000, 0.0004437700000000 ] - [ -0.0024165000000000, -0.0064244400000000, -0.0007398100000000 ] - [ 0.0024165000000000, -0.0064244400000000, -0.0007398100000000 ] - [ 0.0000000000000000, 0.0003977900000000, -0.0004123300000000 ] - [ 0.0000000000000000, 0.0002553400000000, -0.0002046800000000 ] - [ 0.0000000000000000, 0.0022094400000000, -0.0021825900000000 ] - [ 0.0000000000000000, 0.0009311100000000, 0.0000861200000000 ] - [ 0.0007416200000000, 0.0001211400000000, -0.0012752600000000 ] - [ 0.0004233200000000, -0.0000188400000000, -0.0006531500000000 ] - [ 0.0008442700000000, -0.0006086000000000, -0.0020864400000000 ] - [ 0.0000201200000000, -0.0001531700000000, -0.0006359300000000 ] - [ -0.0004233200000000, -0.0000188400000000, -0.0006531500000000 ] - [ -0.0007416200000000, 0.0001211400000000, -0.0012752600000000 ] - [ 0.0005569300000000, -0.0002311700000000, 0.0004305700000000 ] - [ 0.0004460500000000, -0.0001163000000000, 0.0006333000000000 ] - [ 0.0000000000000000, -0.0008662300000000, -0.0005026700000000 ] - [ 0.0000000000000000, -0.0005389700000000, -0.0000986000000000 ] - [ -0.0000201200000000, -0.0001531700000000, -0.0006359300000000 ] - [ -0.0008442700000000, -0.0006086000000000, -0.0020864400000000 ] - [ -0.0004460500000000, -0.0001163000000000, 0.0006333000000000 ] - [ -0.0005569300000000, -0.0002311700000000, 0.0004305700000000 ] - [ 0.0000000000000000, 0.0000096300000000, -0.0014774200000000 ] - [ 0.0000000000000000, 0.0006333000000000, 0.0005846300000000 ]- atom: 43 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0005437500000000, -0.0002689400000000 ] - [ 0.0000000000000000, 0.0002141900000000, -0.0003406500000000 ] - [ 0.0000000000000000, 0.0092183500000000, 0.0066833800000000 ] - [ 0.0000000000000000, 0.0014625100000000, 0.0006485100000000 ] - [ 0.0002713300000000, 0.0010130900000000, -0.0002992300000000 ] - [ -0.0002713300000000, 0.0010130900000000, -0.0002992300000000 ] - [ 0.0000000000000000, 0.0008247500000000, -0.0003795600000000 ] - [ 0.0000000000000000, 0.0007836800000000, -0.0000910800000000 ] - [ 0.0000000000000000, -0.0060593500000000, -0.0075683700000000 ] - [ 0.0000000000000000, -0.0003381900000000, 0.0004208200000000 ] - [ 0.0194195500000000, 0.0009934700000000, -0.0036995000000000 ] - [ -0.0194195500000000, 0.0009934700000000, -0.0036995000000000 ] - [ 0.0000000000000000, 0.0003175200000000, -0.0012939300000000 ] - [ 0.0000000000000000, 0.0002248200000000, -0.0010539800000000 ] - [ -0.0001897500000000, 0.0001129900000000, -0.0001968500000000 ] - [ 0.0001897500000000, 0.0001129900000000, -0.0001968500000000 ] - [ -0.0135491900000000, 0.0011411500000000, -0.0064634500000000 ] - [ 0.0135491900000000, 0.0011411500000000, -0.0064634500000000 ] - [ -0.0049645100000000, -0.0029487800000000, 0.0037673100000000 ] - [ 0.0049645100000000, -0.0029487800000000, 0.0037673100000000 ] - [ 0.0001946400000000, -0.0006910700000000, -0.0007398200000000 ] - [ -0.0001946400000000, -0.0006910700000000, -0.0007398200000000 ] - [ 0.0014232900000000, -0.0025311300000000, -0.0002964800000000 ] - [ -0.0014232900000000, -0.0025311300000000, -0.0002964800000000 ] - [ 0.0000000000000000, -0.0018352900000000, 0.0016677100000000 ] - [ 0.0000000000000000, -0.0007404500000000, 0.0009211800000000 ] - [ 0.0000538200000000, 0.0011661900000000, -0.0002179300000000 ] - [ -0.0000538200000000, 0.0011661900000000, -0.0002179300000000 ] - [ 0.0019057200000000, -0.0000540100000000, 0.0031432700000000 ] - [ -0.0019057200000000, -0.0000540100000000, 0.0031432700000000 ] - [ 0.0000000000000000, -0.0313370700000000, 0.0115622600000000 ] - [ 0.0000000000000000, -0.0018063800000000, -0.0003144600000000 ] - [ -0.0001426300000000, -0.0002981000000000, -0.0009174500000000 ] - [ 0.0001426300000000, -0.0002981000000000, -0.0009174500000000 ] - [ 0.0000000000000000, -0.0006469400000000, 0.0010537600000000 ] - [ 0.0000000000000000, -0.0002616900000000, 0.0004002100000000 ] - [ 0.0000000000000000, -0.0183481100000000, 0.0149941100000000 ] - [ 0.0000000000000000, -0.0000934800000000, -0.0000283000000000 ] - [ 0.0000000000000000, -0.0138422700000000, -0.0217210400000000 ] - [ 0.0000000000000000, -0.0005302700000000, -0.0007277200000000 ] - [ 0.0000000000000000, 0.0648517400000000, -0.0070591700000000 ] - [ 0.0000000000000000, 0.0029178100000000, 0.0013174100000000 ] - [ 0.0000000000000000, 0.2823447600000000, 0.0044490500000000 ] - [ 0.0000000000000000, 0.0051759200000000, -0.0022967000000000 ] - [ -0.0006094000000000, -0.0001776000000000, 0.0017687300000000 ] - [ 0.0006094000000000, -0.0001776000000000, 0.0017687300000000 ] - [ -0.0000839700000000, -0.0003856500000000, -0.0015364300000000 ] - [ 0.0000839700000000, -0.0003856500000000, -0.0015364300000000 ] - [ -0.0004082700000000, -0.0037881400000000, 0.0000193400000000 ] - [ 0.0004082700000000, -0.0037881400000000, 0.0000193400000000 ] - [ 0.0017999500000000, -0.0091311100000000, -0.0006589200000000 ] - [ -0.0017999500000000, -0.0091311100000000, -0.0006589200000000 ] - [ 0.0000000000000000, -0.0003290800000000, -0.0028516900000000 ] - [ 0.0000000000000000, -0.0003558300000000, -0.0000349300000000 ] - [ 0.0000000000000000, -0.0005870400000000, -0.0030823100000000 ] - [ 0.0000000000000000, -0.0004582200000000, -0.0023250200000000 ] - [ 0.0000000000000000, 0.0003441800000000, -0.0058787000000000 ] - [ 0.0000000000000000, -0.0005258200000000, 0.0003580200000000 ] - [ -0.0001563800000000, -0.0086229600000000, 0.0027340800000000 ] - [ -0.0005920700000000, -0.0010219000000000, 0.0004161000000000 ] - [ -0.0299512300000000, -0.0349121800000000, 0.0241047200000000 ] - [ -0.0014929400000000, -0.0020764000000000, 0.0013441400000000 ] - [ 0.0000000000000000, -0.0486648000000000, -0.0088645300000000 ] - [ 0.0000000000000000, -0.0009801400000000, -0.0003270300000000 ] - [ 0.0051579200000000, -0.0250207400000000, -0.0073273900000000 ] - [ 0.0018448100000000, -0.0018273000000000, -0.0006554300000000 ] - [ 0.0005920700000000, -0.0010219000000000, 0.0004161000000000 ] - [ 0.0001563800000000, -0.0086229600000000, 0.0027340800000000 ] - [ 0.0014929400000000, -0.0020764000000000, 0.0013441400000000 ] - [ 0.0299512300000000, -0.0349121800000000, 0.0241047200000000 ] - [ -0.0018448100000000, -0.0018273000000000, -0.0006554300000000 ] - [ -0.0051579200000000, -0.0250207400000000, -0.0073273900000000 ] - [ 0.0000000000000000, -0.0094470100000000, 0.0010842200000000 ] - [ 0.0000000000000000, -0.0013631300000000, 0.0005528400000000 ] - [ 0.0000000000000000, -0.1144979800000000, -0.0234223600000000 ] - [ 0.0000000000000000, -0.0021188800000000, -0.0007683800000000 ] - [ 0.0000556500000000, 0.0002362100000000, -0.0000523900000000 ] - [ -0.0000556500000000, 0.0002362100000000, -0.0000523900000000 ] - [ 0.0000827300000000, 0.0013705800000000, -0.0005620200000000 ] - [ -0.0000827300000000, 0.0013705800000000, -0.0005620200000000 ] - [ 0.0006668100000000, 0.0000467500000000, -0.0006401700000000 ] - [ 0.0004261700000000, -0.0000117200000000, -0.0006431300000000 ] - [ 0.0005304200000000, -0.0003969800000000, -0.0005222700000000 ] - [ -0.0004587200000000, -0.0000130700000000, -0.0016491900000000 ] - [ -0.0004261700000000, -0.0000117200000000, -0.0006431300000000 ] - [ -0.0006668100000000, 0.0000467500000000, -0.0006401700000000 ] - [ 0.0004393200000000, -0.0001150900000000, 0.0008117100000000 ] - [ 0.0003710600000000, -0.0001374900000000, 0.0008251200000000 ] - [ 0.0000295500000000, -0.0007291200000000, -0.0000067300000000 ] - [ -0.0000295500000000, -0.0007291200000000, -0.0000067300000000 ] - [ 0.0004587200000000, -0.0000130700000000, -0.0016491900000000 ] - [ -0.0005304200000000, -0.0003969800000000, -0.0005222700000000 ] - [ -0.0003710600000000, -0.0001374900000000, 0.0008251200000000 ] - [ -0.0004393200000000, -0.0001150900000000, 0.0008117100000000 ] - [ 0.0000937900000000, 0.0002259400000000, 0.0002341200000000 ] - [ -0.0000937900000000, 0.0002259400000000, 0.0002341200000000 ] - [ -0.0028901500000000, -0.0007192000000000, 0.0034185100000000 ] - [ 0.0028901500000000, -0.0007192000000000, 0.0034185100000000 ] - [ 0.0003472700000000, 0.0007535100000000, -0.0002659400000000 ] - [ 0.0021286300000000, 0.0015909700000000, -0.0015598400000000 ] - [ 0.0005174900000000, 0.0012961900000000, 0.0004763400000000 ] - [ 0.0040977700000000, 0.0081370900000000, -0.0016071600000000 ] - [ -0.0015685800000000, 0.0041646800000000, -0.0001301100000000 ] - [ 0.0015685800000000, 0.0041646800000000, -0.0001301100000000 ] - [ 0.0001684200000000, 0.0015331000000000, -0.0004919000000000 ] - [ -0.0016801100000000, 0.0058515700000000, 0.0004176600000000 ] - [ -0.0021286300000000, 0.0015909700000000, -0.0015598400000000 ] - [ -0.0003472700000000, 0.0007535100000000, -0.0002659400000000 ] - [ -0.0040977700000000, 0.0081370900000000, -0.0016071600000000 ] - [ -0.0005174900000000, 0.0012961900000000, 0.0004763400000000 ] - [ 0.0016801100000000, 0.0058515700000000, 0.0004176600000000 ] - [ -0.0001684200000000, 0.0015331000000000, -0.0004919000000000 ] - [ 0.0004144400000000, 0.0004453500000000, 0.0003330900000000 ] - [ -0.0004144400000000, 0.0004453500000000, 0.0003330900000000 ] - [ 0.0024179700000000, 0.0064470200000000, 0.0006690000000000 ] - [ -0.0024179700000000, 0.0064470200000000, 0.0006690000000000 ] - [ 0.0000000000000000, -0.0003779700000000, 0.0003180100000000 ] - [ 0.0000000000000000, -0.0002354700000000, 0.0001115600000000 ] - [ 0.0000000000000000, -0.0006894200000000, 0.0029673700000000 ] - [ 0.0000000000000000, 0.0006026900000000, 0.0006976500000000 ] - [ 0.0002637800000000, -0.0001657800000000, 0.0006693100000000 ] - [ 0.0005792300000000, -0.0000268400000000, 0.0000493900000000 ] - [ -0.0001988700000000, 0.0007654300000000, 0.0016088600000000 ] - [ 0.0006201500000000, 0.0003115600000000, 0.0001595400000000 ] - [ -0.0005792300000000, -0.0000268400000000, 0.0000493900000000 ] - [ -0.0002637800000000, -0.0001657800000000, 0.0006693100000000 ] - [ 0.0001779400000000, 0.0001626800000000, 0.0011725000000000 ] - [ 0.0002874900000000, 0.0000477800000000, 0.0009713900000000 ] - [ 0.0000000000000000, 0.0001855600000000, 0.0007465300000000 ] - [ 0.0000000000000000, -0.0001397100000000, 0.0003439500000000 ] - [ -0.0006201500000000, 0.0003115600000000, 0.0001595400000000 ] - [ 0.0001988700000000, 0.0007654300000000, 0.0016088600000000 ] - [ -0.0002874900000000, 0.0000477800000000, 0.0009713900000000 ] - [ -0.0001779400000000, 0.0001626800000000, 0.0011725000000000 ] - [ 0.0000000000000000, 0.0016020100000000, 0.0027640200000000 ] - [ 0.0000000000000000, 0.0009739000000000, 0.0006873100000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0002815500000000, 0.0026268200000000 ] - [ 0.0000000000000000, 0.0002290800000000, 0.0014782200000000 ] - [ 0.0000000000000000, -0.0032982700000000, 0.0422705500000000 ] - [ 0.0000000000000000, 0.0009155000000000, 0.0008214900000000 ] - [ -0.0009223300000000, 0.0003592800000000, 0.0031821000000000 ] - [ 0.0009223300000000, 0.0003592800000000, 0.0031821000000000 ] - [ 0.0000000000000000, 0.0008606900000000, 0.0028677800000000 ] - [ 0.0000000000000000, 0.0008827300000000, 0.0019127900000000 ] - [ 0.0000000000000000, 0.0076014200000000, 0.0039365400000000 ] - [ 0.0000000000000000, 0.0008105000000000, 0.0001270600000000 ] - [ -0.0087895300000000, 0.0050757700000000, -0.0130321800000000 ] - [ 0.0087895300000000, 0.0050757700000000, -0.0130321800000000 ] - [ 0.0000000000000000, 0.0004515900000000, 0.0070661700000000 ] - [ 0.0000000000000000, 0.0001218600000000, 0.0015661900000000 ] - [ 0.0029618200000000, 0.0009871600000000, 0.0051054300000000 ] - [ -0.0029618200000000, 0.0009871600000000, 0.0051054300000000 ] - [ 0.0113860400000000, 0.0064534200000000, -0.0091452900000000 ] - [ -0.0113860400000000, 0.0064534200000000, -0.0091452900000000 ] - [ -0.0087099500000000, -0.0072429800000000, 0.0045401300000000 ] - [ 0.0087099500000000, -0.0072429800000000, 0.0045401300000000 ] - [ -0.0002283400000000, -0.0002129300000000, 0.0014150300000000 ] - [ 0.0002283400000000, -0.0002129300000000, 0.0014150300000000 ] - [ -0.0011137100000000, 0.0003211500000000, 0.0004797400000000 ] - [ 0.0011137100000000, 0.0003211500000000, 0.0004797400000000 ] - [ 0.0000000000000000, -0.0010886900000000, 0.0038243100000000 ] - [ 0.0000000000000000, -0.0006742500000000, 0.0019835500000000 ] - [ 0.0001833600000000, 0.0005073300000000, 0.0028352400000000 ] - [ -0.0001833600000000, 0.0005073300000000, 0.0028352400000000 ] - [ 0.0066730900000000, -0.0038402200000000, 0.0048289100000000 ] - [ -0.0066730900000000, -0.0038402200000000, 0.0048289100000000 ] - [ 0.0000000000000000, -0.0073649100000000, -0.0140033000000000 ] - [ 0.0000000000000000, -0.0015228200000000, -0.0033806300000000 ] - [ 0.0005351200000000, 0.0002469300000000, 0.0013351900000000 ] - [ -0.0005351200000000, 0.0002469300000000, 0.0013351900000000 ] - [ 0.0000000000000000, -0.0031100200000000, 0.0035665800000000 ] - [ 0.0000000000000000, -0.0008201800000000, 0.0018857700000000 ] - [ 0.0000000000000000, -0.0072832100000000, -0.0096500000000000 ] - [ 0.0000000000000000, 0.0001042400000000, -0.0030096700000000 ] - [ 0.0000000000000000, 0.0087243200000000, 0.0065199200000000 ] - [ 0.0000000000000000, 0.0005255200000000, -0.0019552900000000 ] - [ 0.0000000000000000, 0.0112307100000000, 0.1041862800000000 ] - [ 0.0000000000000000, 0.0001548200000000, -0.0029295700000000 ] - [ 0.0000000000000000, -0.0068601100000000, -0.3525232900000000 ] - [ 0.0000000000000000, 0.0009416100000000, -0.0157614800000000 ] - [ -0.0026483800000000, -0.0017516400000000, 0.0072808000000000 ] - [ 0.0026483800000000, -0.0017516400000000, 0.0072808000000000 ] - [ 0.0002742100000000, -0.0002023400000000, 0.0046550900000000 ] - [ -0.0002742100000000, -0.0002023400000000, 0.0046550900000000 ] - [ 0.0025776200000000, 0.0006309900000000, -0.0034726800000000 ] - [ -0.0025776200000000, 0.0006309900000000, -0.0034726800000000 ] - [ -0.0007374000000000, -0.0006842300000000, -0.0121321200000000 ] - [ 0.0007374000000000, -0.0006842300000000, -0.0121321200000000 ] - [ 0.0000000000000000, 0.0004933100000000, 0.0072775200000000 ] - [ 0.0000000000000000, -0.0007019700000000, 0.0040678700000000 ] - [ 0.0000000000000000, -0.0017586200000000, 0.0042279600000000 ] - [ 0.0000000000000000, -0.0009947700000000, 0.0023922400000000 ] - [ 0.0000000000000000, 0.0081211100000000, -0.0009664200000000 ] - [ 0.0000000000000000, 0.0000747700000000, 0.0011641300000000 ] - [ -0.0082030500000000, -0.0084086800000000, -0.0108591300000000 ] - [ 0.0022115500000000, 0.0000753100000000, 0.0003729900000000 ] - [ -0.0570894800000000, -0.0231229700000000, 0.0695895100000000 ] - [ -0.0057294600000000, -0.0008693800000000, 0.0050645500000000 ] - [ 0.0000000000000000, 0.0399017100000000, 0.0561380200000000 ] - [ 0.0000000000000000, 0.0015098800000000, 0.0044193200000000 ] - [ 0.0027026600000000, -0.0024988800000000, 0.0176164500000000 ] - [ 0.0034599900000000, 0.0000564100000000, 0.0045500600000000 ] - [ -0.0022115500000000, 0.0000753100000000, 0.0003729900000000 ] - [ 0.0082030500000000, -0.0084086800000000, -0.0108591300000000 ] - [ 0.0057294600000000, -0.0008693800000000, 0.0050645500000000 ] - [ 0.0570894800000000, -0.0231229700000000, 0.0695895100000000 ] - [ -0.0034599900000000, 0.0000564100000000, 0.0045500600000000 ] - [ -0.0027026600000000, -0.0024988800000000, 0.0176164500000000 ] - [ 0.0000000000000000, 0.0082933500000000, -0.0127058100000000 ] - [ 0.0000000000000000, -0.0012412300000000, 0.0006392400000000 ] - [ 0.0000000000000000, 0.0095411800000000, 0.0261368000000000 ] - [ 0.0000000000000000, 0.0006720900000000, 0.0023811200000000 ] - [ -0.0000887400000000, 0.0005553300000000, -0.0020163300000000 ] - [ 0.0000887400000000, 0.0005553300000000, -0.0020163300000000 ] - [ 0.0003730700000000, 0.0006622700000000, -0.0023235700000000 ] - [ -0.0003730700000000, 0.0006622700000000, -0.0023235700000000 ] - [ 0.0010016600000000, 0.0001383100000000, -0.0034787600000000 ] - [ 0.0004207400000000, 0.0001581600000000, -0.0035735800000000 ] - [ 0.0008863800000000, 0.0001445400000000, -0.0016718900000000 ] - [ -0.0037971600000000, 0.0021019200000000, -0.0061795200000000 ] - [ -0.0004207400000000, 0.0001581600000000, -0.0035735800000000 ] - [ -0.0010016600000000, 0.0001383100000000, -0.0034787600000000 ] - [ 0.0010747200000000, -0.0006107500000000, -0.0020558200000000 ] - [ 0.0020928600000000, -0.0011264200000000, -0.0025680200000000 ] - [ 0.0002072600000000, -0.0002228300000000, -0.0028019500000000 ] - [ -0.0002072600000000, -0.0002228300000000, -0.0028019500000000 ] - [ 0.0037971600000000, 0.0021019200000000, -0.0061795200000000 ] - [ -0.0008863800000000, 0.0001445400000000, -0.0016718900000000 ] - [ -0.0020928600000000, -0.0011264200000000, -0.0025680200000000 ] - [ -0.0010747200000000, -0.0006107500000000, -0.0020558200000000 ] - [ -0.0013909900000000, 0.0010168600000000, -0.0033226000000000 ] - [ 0.0013909900000000, 0.0010168600000000, -0.0033226000000000 ] - [ 0.0029572400000000, -0.0027263600000000, 0.0000937200000000 ] - [ -0.0029572400000000, -0.0027263600000000, 0.0000937200000000 ] - [ -0.0004791600000000, 0.0010811000000000, 0.0003728200000000 ] - [ 0.0014772600000000, 0.0021149200000000, 0.0008429200000000 ] - [ -0.0003478300000000, -0.0006361500000000, 0.0030725900000000 ] - [ -0.0027508800000000, -0.0029228600000000, 0.0045415500000000 ] - [ -0.0011020900000000, 0.0014983700000000, 0.0051978700000000 ] - [ 0.0011020900000000, 0.0014983700000000, 0.0051978700000000 ] - [ -0.0000543600000000, -0.0003454800000000, 0.0031882000000000 ] - [ 0.0027441000000000, -0.0020508500000000, 0.0033908200000000 ] - [ -0.0014772600000000, 0.0021149200000000, 0.0008429200000000 ] - [ 0.0004791600000000, 0.0010811000000000, 0.0003728200000000 ] - [ 0.0027508800000000, -0.0029228600000000, 0.0045415500000000 ] - [ 0.0003478300000000, -0.0006361500000000, 0.0030725900000000 ] - [ -0.0027441000000000, -0.0020508500000000, 0.0033908200000000 ] - [ 0.0000543600000000, -0.0003454800000000, 0.0031882000000000 ] - [ -0.0011123700000000, -0.0028543500000000, 0.0008788400000000 ] - [ 0.0011123700000000, -0.0028543500000000, 0.0008788400000000 ] - [ 0.0011915600000000, 0.0037495500000000, 0.0057428000000000 ] - [ -0.0011915600000000, 0.0037495500000000, 0.0057428000000000 ] - [ 0.0000000000000000, 0.0020749200000000, -0.0036135900000000 ] - [ 0.0000000000000000, 0.0008768100000000, -0.0019053900000000 ] - [ 0.0000000000000000, -0.0025081100000000, -0.0040540400000000 ] - [ 0.0000000000000000, -0.0000796700000000, -0.0007022200000000 ] - [ 0.0007902800000000, 0.0001576400000000, -0.0033499000000000 ] - [ 0.0004439200000000, 0.0000204500000000, -0.0023873700000000 ] - [ 0.0005023300000000, 0.0004395900000000, -0.0021161100000000 ] - [ -0.0003938500000000, 0.0005496500000000, -0.0014528900000000 ] - [ -0.0004439200000000, 0.0000204500000000, -0.0023873700000000 ] - [ -0.0007902800000000, 0.0001576400000000, -0.0033499000000000 ] - [ 0.0010740100000000, -0.0003047000000000, -0.0014855400000000 ] - [ 0.0011803500000000, -0.0002643700000000, -0.0009059500000000 ] - [ 0.0000000000000000, 0.0000095500000000, -0.0028678800000000 ] - [ 0.0000000000000000, -0.0000131500000000, -0.0017176300000000 ] - [ 0.0003938500000000, 0.0005496500000000, -0.0014528900000000 ] - [ -0.0005023300000000, 0.0004395900000000, -0.0021161100000000 ] - [ -0.0011803500000000, -0.0002643700000000, -0.0009059500000000 ] - [ -0.0010740100000000, -0.0003047000000000, -0.0014855400000000 ] - [ 0.0000000000000000, 0.0006384800000000, -0.0027669300000000 ] - [ 0.0000000000000000, 0.0008705900000000, -0.0006553600000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0005774800000000, -0.0034211100000000 ] - [ 0.0000000000000000, -0.0005237400000000, -0.0022768900000000 ] - [ 0.0000000000000000, 0.0036415700000000, -0.0420809800000000 ] - [ 0.0000000000000000, -0.0005856200000000, -0.0002001600000000 ] - [ 0.0009209800000000, -0.0006628200000000, -0.0019722400000000 ] - [ -0.0009209800000000, -0.0006628200000000, -0.0019722400000000 ] - [ 0.0000000000000000, 0.0010721600000000, -0.0029912200000000 ] - [ 0.0000000000000000, 0.0010521300000000, -0.0020482600000000 ] - [ 0.0000000000000000, -0.0072197400000000, -0.0027532100000000 ] - [ 0.0000000000000000, -0.0005079900000000, 0.0010417400000000 ] - [ 0.0086692800000000, -0.0069510200000000, 0.0128242000000000 ] - [ -0.0086692800000000, -0.0069510200000000, 0.0128242000000000 ] - [ 0.0000000000000000, -0.0004249400000000, -0.0087833900000000 ] - [ 0.0000000000000000, -0.0000982800000000, -0.0033472300000000 ] - [ -0.0029237000000000, -0.0012962100000000, -0.0044635400000000 ] - [ 0.0029237000000000, -0.0012962100000000, -0.0044635400000000 ] - [ -0.0113030900000000, -0.0060931400000000, 0.0082068900000000 ] - [ 0.0113030900000000, -0.0060931400000000, 0.0082068900000000 ] - [ 0.0086617700000000, 0.0071639400000000, -0.0062641200000000 ] - [ -0.0086617700000000, 0.0071639400000000, -0.0062641200000000 ] - [ 0.0002274200000000, -0.0000794800000000, -0.0022124600000000 ] - [ -0.0002274200000000, -0.0000794800000000, -0.0022124600000000 ] - [ 0.0011004900000000, 0.0000086000000000, 0.0001359800000000 ] - [ -0.0011004900000000, 0.0000086000000000, 0.0001359800000000 ] - [ 0.0000000000000000, 0.0007972300000000, -0.0026182800000000 ] - [ 0.0000000000000000, 0.0003752100000000, -0.0007812600000000 ] - [ -0.0001805000000000, 0.0014181000000000, -0.0029616700000000 ] - [ 0.0001805000000000, 0.0014181000000000, -0.0029616700000000 ] - [ -0.0065897300000000, 0.0040849400000000, -0.0036041200000000 ] - [ 0.0065897300000000, 0.0040849400000000, -0.0036041200000000 ] - [ 0.0000000000000000, 0.0053698700000000, 0.0138224900000000 ] - [ 0.0000000000000000, -0.0004142100000000, 0.0032058700000000 ] - [ -0.0005270600000000, -0.0002185100000000, -0.0031185300000000 ] - [ 0.0005270600000000, -0.0002185100000000, -0.0031185300000000 ] - [ 0.0000000000000000, 0.0027554400000000, -0.0029442400000000 ] - [ 0.0000000000000000, 0.0004932500000000, -0.0012830200000000 ] - [ 0.0000000000000000, 0.0075217200000000, 0.0086965300000000 ] - [ 0.0000000000000000, 0.0001890200000000, 0.0021665700000000 ] - [ 0.0000000000000000, -0.0087286100000000, -0.0082235300000000 ] - [ 0.0000000000000000, -0.0005477400000000, 0.0001674700000000 ] - [ 0.0000000000000000, -0.0103325300000000, -0.1006303200000000 ] - [ 0.0000000000000000, 0.0004898800000000, 0.0041844400000000 ] - [ 0.0000000000000000, 0.0042262200000000, 0.3484447800000000 ] - [ 0.0000000000000000, -0.0000092600000000, 0.0120294300000000 ] - [ 0.0026614800000000, 0.0011137700000000, -0.0059296800000000 ] - [ -0.0026614800000000, 0.0011137700000000, -0.0059296800000000 ] - [ -0.0002675300000000, -0.0007253700000000, -0.0082188300000000 ] - [ 0.0002675300000000, -0.0007253700000000, -0.0082188300000000 ] - [ -0.0025584500000000, 0.0000191100000000, 0.0047138600000000 ] - [ 0.0025584500000000, 0.0000191100000000, 0.0047138600000000 ] - [ 0.0007093800000000, 0.0016142400000000, 0.0084269900000000 ] - [ -0.0007093800000000, 0.0016142400000000, 0.0084269900000000 ] - [ 0.0000000000000000, -0.0011524300000000, -0.0059039500000000 ] - [ 0.0000000000000000, 0.0000489500000000, -0.0027256900000000 ] - [ 0.0000000000000000, 0.0008072100000000, -0.0077902900000000 ] - [ 0.0000000000000000, 0.0000555100000000, -0.0059727500000000 ] - [ 0.0000000000000000, -0.0097351900000000, 0.0022216500000000 ] - [ 0.0000000000000000, -0.0016721100000000, 0.0001085000000000 ] - [ 0.0087449400000000, 0.0081510100000000, 0.0102345600000000 ] - [ -0.0015551500000000, -0.0002365200000000, -0.0008337800000000 ] - [ 0.0609189000000000, 0.0245026000000000, -0.0695413000000000 ] - [ 0.0064044600000000, 0.0009341500000000, -0.0034281600000000 ] - [ 0.0000000000000000, -0.0371222500000000, -0.0549391000000000 ] - [ 0.0000000000000000, -0.0008286400000000, -0.0041281000000000 ] - [ -0.0009794700000000, 0.0021885800000000, -0.0174533900000000 ] - [ -0.0024420800000000, -0.0000064400000000, -0.0050972000000000 ] - [ 0.0015551500000000, -0.0002365200000000, -0.0008337800000000 ] - [ -0.0087449400000000, 0.0081510100000000, 0.0102345600000000 ] - [ -0.0064044600000000, 0.0009341500000000, -0.0034281600000000 ] - [ -0.0609189000000000, 0.0245026000000000, -0.0695413000000000 ] - [ 0.0024420800000000, -0.0000064400000000, -0.0050972000000000 ] - [ 0.0009794700000000, 0.0021885800000000, -0.0174533900000000 ] - [ 0.0000000000000000, -0.0097694600000000, 0.0133442300000000 ] - [ 0.0000000000000000, -0.0002946500000000, 0.0001485200000000 ] - [ 0.0000000000000000, -0.0101495700000000, -0.0265605700000000 ] - [ 0.0000000000000000, -0.0006816000000000, -0.0024508600000000 ] - [ 0.0000862900000000, -0.0005438000000000, 0.0019159600000000 ] - [ -0.0000862900000000, -0.0005438000000000, 0.0019159600000000 ] - [ -0.0003743900000000, 0.0008612700000000, 0.0030691600000000 ] - [ 0.0003743900000000, 0.0008612700000000, 0.0030691600000000 ] - [ -0.0000065600000000, -0.0001878300000000, 0.0028551500000000 ] - [ 0.0005782700000000, -0.0002074000000000, 0.0029478900000000 ] - [ -0.0002558000000000, 0.0000203400000000, 0.0011723300000000 ] - [ 0.0044572800000000, -0.0019448900000000, 0.0057023600000000 ] - [ -0.0005782700000000, -0.0002074000000000, 0.0029478900000000 ] - [ 0.0000065600000000, -0.0001878300000000, 0.0028551500000000 ] - [ -0.0003472500000000, 0.0005412800000000, 0.0036459700000000 ] - [ -0.0013491100000000, 0.0010496500000000, 0.0041512000000000 ] - [ -0.0002084000000000, -0.0004476300000000, 0.0030287500000000 ] - [ 0.0002084000000000, -0.0004476300000000, 0.0030287500000000 ] - [ -0.0044572800000000, -0.0019448900000000, 0.0057023600000000 ] - [ 0.0002558000000000, 0.0000203400000000, 0.0011723300000000 ] - [ 0.0013491100000000, 0.0010496500000000, 0.0041512000000000 ] - [ 0.0003472500000000, 0.0005412800000000, 0.0036459700000000 ] - [ 0.0013714600000000, 0.0005975000000000, 0.0045716700000000 ] - [ -0.0013714600000000, 0.0005975000000000, 0.0045716700000000 ] - [ -0.0029318400000000, 0.0011123800000000, 0.0011635300000000 ] - [ 0.0029318400000000, 0.0011123800000000, 0.0011635300000000 ] - [ 0.0011134400000000, -0.0012278500000000, -0.0008393100000000 ] - [ -0.0008245900000000, -0.0022494600000000, -0.0012993500000000 ] - [ 0.0010743200000000, 0.0006971900000000, -0.0014474800000000 ] - [ 0.0034372200000000, 0.0029533000000000, -0.0028965900000000 ] - [ 0.0010969600000000, -0.0008156500000000, -0.0048954800000000 ] - [ -0.0010969600000000, -0.0008156500000000, -0.0048954800000000 ] - [ 0.0010490900000000, 0.0003917400000000, -0.0037522100000000 ] - [ -0.0017372700000000, 0.0020891100000000, -0.0039480000000000 ] - [ 0.0008245900000000, -0.0022494600000000, -0.0012993500000000 ] - [ -0.0011134400000000, -0.0012278500000000, -0.0008393100000000 ] - [ -0.0034372200000000, 0.0029533000000000, -0.0028965900000000 ] - [ -0.0010743200000000, 0.0006971900000000, -0.0014474800000000 ] - [ 0.0017372700000000, 0.0020891100000000, -0.0039480000000000 ] - [ -0.0010490900000000, 0.0003917400000000, -0.0037522100000000 ] - [ 0.0010985100000000, 0.0012932400000000, -0.0000800400000000 ] - [ -0.0010985100000000, 0.0012932400000000, -0.0000800400000000 ] - [ -0.0011728800000000, -0.0037348600000000, -0.0057924400000000 ] - [ 0.0011728800000000, -0.0037348600000000, -0.0057924400000000 ] - [ 0.0000000000000000, -0.0020358200000000, 0.0034892000000000 ] - [ 0.0000000000000000, -0.0008568300000000, 0.0018052800000000 ] - [ 0.0000000000000000, 0.0040475100000000, 0.0048037900000000 ] - [ 0.0000000000000000, 0.0016046500000000, 0.0014676200000000 ] - [ 0.0002092300000000, -0.0002022900000000, 0.0027199900000000 ] - [ 0.0005536200000000, -0.0000673600000000, 0.0017668200000000 ] - [ 0.0001362500000000, -0.0002766900000000, 0.0016070500000000 ] - [ 0.0010243600000000, -0.0003851500000000, 0.0009583600000000 ] - [ -0.0005536200000000, -0.0000673600000000, 0.0017668200000000 ] - [ -0.0002092300000000, -0.0002022900000000, 0.0027199900000000 ] - [ -0.0003448200000000, 0.0002376300000000, 0.0030817400000000 ] - [ -0.0004485300000000, 0.0001973800000000, 0.0025083900000000 ] - [ 0.0000000000000000, -0.0006809000000000, 0.0030892200000000 ] - [ 0.0000000000000000, -0.0006578000000000, 0.0019482100000000 ] - [ -0.0010243600000000, -0.0003851500000000, 0.0009583600000000 ] - [ -0.0001362500000000, -0.0002766900000000, 0.0016070500000000 ] - [ 0.0004485300000000, 0.0001973800000000, 0.0025083900000000 ] - [ 0.0003448200000000, 0.0002376300000000, 0.0030817400000000 ] - [ 0.0000000000000000, 0.0009626700000000, 0.0040206500000000 ] - [ 0.0000000000000000, 0.0007358600000000, 0.0019304300000000 ]- atom: 57 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0012650900000000, -0.0001468600000000, -0.0004079000000000 ] - [ -0.0009744800000000, -0.0001451900000000, -0.0004044000000000 ] - [ 0.0057758000000000, 0.0001925000000000, 0.0002815000000000 ] - [ -0.0027634800000000, 0.0001734200000000, 0.0003057300000000 ] - [ -0.0000785000000000, 0.0005250300000000, 0.0009349100000000 ] - [ -0.0000898000000000, -0.0008204400000000, 0.0002457100000000 ] - [ 0.0003928700000000, 0.0009659800000000, -0.0000767400000000 ] - [ -0.0004461900000000, 0.0009674500000000, -0.0000712600000000 ] - [ 0.0002398500000000, 0.0001494700000000, 0.0005926000000000 ] - [ -0.0003013800000000, 0.0001496000000000, 0.0005873700000000 ] - [ -0.0001070500000000, -0.0008331600000000, -0.0004721900000000 ] - [ -0.0001155900000000, -0.0010986300000000, 0.0003264000000000 ] - [ 0.0001926100000000, 0.0000126200000000, -0.0008969500000000 ] - [ -0.0002002200000000, 0.0000115100000000, -0.0008971000000000 ] - [ 0.0000021600000000, -0.0001155900000000, 0.0004105500000000 ] - [ 0.0000002400000000, -0.0002098800000000, 0.0001825400000000 ] - [ -0.0000349200000000, 0.0005142100000000, -0.0013122300000000 ] - [ -0.0000431600000000, -0.0002212700000000, 0.0004930500000000 ] - [ -0.0088290600000000, 0.0039833000000000, -0.0054826700000000 ] - [ -0.0089024200000000, -0.0039974500000000, 0.0036569000000000 ] - [ 0.0000663000000000, -0.0005705800000000, 0.0000213800000000 ] - [ 0.0000558600000000, 0.0002759400000000, -0.0008343000000000 ] - [ -0.0022722700000000, -0.0039199100000000, 0.0012148100000000 ] - [ -0.0022798200000000, 0.0042144800000000, -0.0006109500000000 ] - [ 0.0072669600000000, -0.0001579000000000, 0.0006178900000000 ] - [ -0.0018843600000000, -0.0001524100000000, 0.0005944400000000 ] - [ -0.0000019300000000, 0.0011331600000000, 0.0000695600000000 ] - [ -0.0000044700000000, 0.0008024800000000, -0.0002149600000000 ] - [ -0.0000090600000000, 0.0000499300000000, 0.0004409100000000 ] - [ -0.0000116600000000, 0.0002504900000000, 0.0007363600000000 ] - [ 0.0069668500000000, -0.0009757500000000, -0.0000995500000000 ] - [ -0.0018069600000000, -0.0009725500000000, -0.0000801700000000 ] - [ 0.0000016100000000, -0.0000656300000000, -0.0008716900000000 ] - [ -0.0000014400000000, 0.0000881700000000, -0.0009228200000000 ] - [ 0.0001544100000000, -0.0001626200000000, 0.0002957600000000 ] - [ -0.0001513000000000, -0.0001624300000000, 0.0002967900000000 ] - [ 0.0007053200000000, 0.0001485300000000, -0.0004046200000000 ] - [ -0.0006514800000000, 0.0001459900000000, -0.0004081400000000 ] - [ 0.0015148900000000, -0.0000112400000000, -0.0008894700000000 ] - [ -0.0011027600000000, -0.0000121200000000, -0.0008948900000000 ] - [ 0.0005688700000000, 0.0003227400000000, 0.0006543200000000 ] - [ -0.0004501900000000, 0.0003259200000000, 0.0006454900000000 ] - [ 0.0067933600000000, 0.0004592600000000, -0.0018002500000000 ] - [ -0.0036869100000000, 0.0004744100000000, -0.0018209600000000 ] - [ -0.0017840300000000, 0.0012132700000000, 0.0060379100000000 ] - [ -0.0018225800000000, -0.0018495000000000, -0.0046988000000000 ] - [ 0.0002127600000000, -0.0005598600000000, -0.0004225100000000 ] - [ 0.0001999500000000, -0.0003744800000000, -0.0031843300000000 ] - [ 0.0002933800000000, 0.0004231100000000, -0.0002520700000000 ] - [ 0.0002815600000000, 0.0002334300000000, 0.0015529100000000 ] - [ -0.0007638700000000, -0.0024390500000000, -0.0047565100000000 ] - [ -0.0007883600000000, 0.0033428400000000, 0.0011333500000000 ] - [ 0.0021882900000000, -0.0003216400000000, 0.0006415900000000 ] - [ -0.0017177000000000, -0.0003273100000000, 0.0006553500000000 ] - [ 0.0004760000000000, -0.0004587600000000, -0.0018110300000000 ] - [ -0.0004085500000000, -0.0004651900000000, -0.0018016900000000 ] - [ -0.0067417600000000, -0.0008064500000000, 0.0006566800000000 ] - [ 0.0042962600000000, -0.0007974800000000, 0.0006350100000000 ] - [ 0.0000596200000000, -0.0001853900000000, -0.0002444600000000 ] - [ 0.0005587400000000, 0.0000216200000000, -0.0002482200000000 ] - [ -0.0026391000000000, -0.0040985700000000, 0.0051912600000000 ] - [ 0.0035166400000000, 0.0022681600000000, -0.0022528300000000 ] - [ -0.0003571200000000, 0.0003494800000000, 0.0001189400000000 ] - [ 0.0003948500000000, 0.0003397100000000, 0.0001309500000000 ] - [ -0.0000082800000000, 0.0000599300000000, -0.0001428600000000 ] - [ 0.0009309900000000, -0.0000750300000000, -0.0002869000000000 ] - [ -0.0000791400000000, -0.0001826400000000, -0.0002304700000000 ] - [ -0.0005744400000000, 0.0000242200000000, -0.0002379200000000 ] - [ 0.0028019400000000, -0.0022239300000000, 0.0038963400000000 ] - [ -0.0033353700000000, 0.0041612900000000, -0.0035762500000000 ] - [ -0.0000705200000000, 0.0001209400000000, -0.0003006300000000 ] - [ -0.0010031200000000, -0.0000095600000000, -0.0004589200000000 ] - [ -0.0000892300000000, -0.0007650800000000, 0.0003893600000000 ] - [ 0.0000753500000000, -0.0007667300000000, 0.0003911400000000 ] - [ -0.0007284800000000, -0.0000082000000000, -0.0000493300000000 ] - [ 0.0005292200000000, -0.0000148000000000, -0.0000445900000000 ] - [ -0.0000100300000000, 0.0003078400000000, -0.0003897800000000 ] - [ -0.0000075300000000, -0.0002883500000000, 0.0003016600000000 ] - [ 0.0027658100000000, -0.0003806600000000, -0.0045536600000000 ] - [ 0.0027568100000000, 0.0019066200000000, 0.0052796000000000 ] - [ 0.0014374300000000, 0.0002749800000000, -0.0016930200000000 ] - [ -0.0005922200000000, -0.0006437200000000, 0.0006728000000000 ] - [ 0.0017296900000000, -0.0006801600000000, -0.0005835300000000 ] - [ 0.0007113800000000, 0.0019146600000000, 0.0023747500000000 ] - [ -0.0016184300000000, 0.0006098300000000, -0.0012673700000000 ] - [ 0.0004417300000000, -0.0003227300000000, 0.0010843700000000 ] - [ 0.0007202500000000, -0.0001334800000000, 0.0004126900000000 ] - [ -0.0000444100000000, 0.0000824300000000, 0.0011683900000000 ] - [ 0.0001019000000000, -0.0005456800000000, -0.0010009400000000 ] - [ 0.0001056100000000, -0.0001316700000000, 0.0012465900000000 ] - [ 0.0000396700000000, -0.0017665700000000, -0.0028518500000000 ] - [ 0.0011009800000000, 0.0008416000000000, 0.0000849700000000 ] - [ -0.0007769500000000, -0.0001501000000000, 0.0004430600000000 ] - [ -0.0000061500000000, 0.0000662100000000, 0.0011995400000000 ] - [ -0.0000021100000000, 0.0007816200000000, 0.0006196100000000 ] - [ -0.0000007200000000, 0.0008245900000000, 0.0006593500000000 ] - [ -0.0002533800000000, 0.0000940700000000, 0.0007943900000000 ] - [ -0.0002434600000000, -0.0016968700000000, 0.0004817900000000 ] - [ 0.0004598500000000, 0.0000071100000000, 0.0000096800000000 ] - [ 0.0000919600000000, -0.0002304300000000, -0.0004502600000000 ] - [ 0.0013164900000000, 0.0004266300000000, 0.0008147100000000 ] - [ 0.0002433000000000, -0.0011094600000000, -0.0005280200000000 ] - [ 0.0000239900000000, 0.0008340200000000, 0.0011528600000000 ] - [ 0.0000277200000000, -0.0001556400000000, -0.0008978200000000 ] - [ 0.0008772100000000, 0.0001715800000000, 0.0005644500000000 ] - [ -0.0004606600000000, 0.0003996500000000, -0.0004894200000000 ] - [ -0.0005489400000000, 0.0000702100000000, -0.0000297200000000 ] - [ -0.0001750700000000, -0.0001697300000000, -0.0004891100000000 ] - [ -0.0005114000000000, 0.0011768700000000, 0.0021326300000000 ] - [ 0.0005918300000000, -0.0003548500000000, 0.0008007500000000 ] - [ -0.0014832600000000, -0.0003599300000000, -0.0001166100000000 ] - [ -0.0001175400000000, -0.0001201200000000, -0.0011585300000000 ] - [ -0.0000125100000000, -0.0009055600000000, 0.0005798500000000 ] - [ -0.0000105900000000, -0.0006277300000000, 0.0002017300000000 ] - [ 0.0010983400000000, 0.0026595300000000, 0.0038274500000000 ] - [ 0.0011033800000000, -0.0026465500000000, -0.0038764500000000 ] - [ -0.0001054700000000, 0.0000049400000000, -0.0000426900000000 ] - [ 0.0001074900000000, 0.0000087800000000, -0.0000443300000000 ] - [ -0.0000319700000000, 0.0007813300000000, 0.0004063100000000 ] - [ 0.0004430100000000, 0.0007644500000000, 0.0003877200000000 ] - [ 0.0000872100000000, -0.0000783600000000, -0.0003884700000000 ] - [ 0.0008988400000000, 0.0000570700000000, -0.0002498700000000 ] - [ -0.0009474700000000, 0.0010291200000000, -0.0015703800000000 ] - [ 0.0015605800000000, -0.0004572400000000, 0.0006825000000000 ] - [ -0.0001039000000000, -0.0001037000000000, -0.0003528300000000 ] - [ -0.0009075400000000, 0.0000262200000000, -0.0002050900000000 ] - [ 0.0001771600000000, 0.0000041300000000, 0.0008412400000000 ] - [ 0.0005413600000000, -0.0000724100000000, 0.0007711100000000 ] - [ -0.0001576500000000, -0.0003499100000000, 0.0001362200000000 ] - [ 0.0002956800000000, -0.0003380300000000, 0.0001234800000000 ] - [ 0.0009226600000000, 0.0006223500000000, -0.0011689900000000 ] - [ -0.0015711200000000, -0.0008795600000000, 0.0010872300000000 ] - [ -0.0001900000000000, 0.0000036800000000, 0.0008401700000000 ] - [ -0.0005478700000000, -0.0000722200000000, 0.0007753800000000 ] - [ -0.0001093700000000, 0.0008020500000000, 0.0006392600000000 ] - [ 0.0001023300000000, 0.0008039500000000, 0.0006392800000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0000484200000000, -0.0019397000000000 ] - [ 0.0000000000000000, -0.0003354600000000, -0.0006782600000000 ] - [ 0.0000000000000000, 0.0198049100000000, -0.0059212000000000 ] - [ 0.0000000000000000, -0.0001733400000000, 0.0003243900000000 ] - [ 0.0009715200000000, -0.0013845800000000, -0.0001280400000000 ] - [ -0.0009715200000000, -0.0013845800000000, -0.0001280400000000 ] - [ 0.0000000000000000, 0.0011236100000000, 0.0003700100000000 ] - [ 0.0000000000000000, 0.0010965500000000, -0.0002592500000000 ] - [ 0.0000000000000000, 0.0005726000000000, 0.0000778900000000 ] - [ 0.0000000000000000, 0.0004084000000000, 0.0004630000000000 ] - [ 0.0008594700000000, -0.0024185600000000, 0.0005133500000000 ] - [ -0.0008594700000000, -0.0024185600000000, 0.0005133500000000 ] - [ 0.0000000000000000, -0.0000298300000000, -0.0007963900000000 ] - [ 0.0000000000000000, -0.0000245200000000, -0.0009246000000000 ] - [ 0.0000499100000000, -0.0000266300000000, 0.0003027400000000 ] - [ -0.0000499100000000, -0.0000266300000000, 0.0003027400000000 ] - [ 0.0002467300000000, 0.0010736600000000, -0.0001735500000000 ] - [ -0.0002467300000000, 0.0010736600000000, -0.0001735500000000 ] - [ 0.0028852900000000, 0.0044676500000000, -0.0001445700000000 ] - [ -0.0028852900000000, 0.0044676500000000, -0.0001445700000000 ] - [ -0.0004814300000000, -0.0001631200000000, -0.0000184500000000 ] - [ 0.0004814300000000, -0.0001631200000000, -0.0000184500000000 ] - [ -0.0036806300000000, -0.0026805600000000, 0.0013279400000000 ] - [ 0.0036806300000000, -0.0026805600000000, 0.0013279400000000 ] - [ 0.0000000000000000, 0.0077641700000000, -0.0018387400000000 ] - [ 0.0000000000000000, 0.0002936400000000, 0.0004867800000000 ] - [ -0.0000123300000000, 0.0008238500000000, -0.0001734100000000 ] - [ 0.0000123300000000, 0.0008238500000000, -0.0001734100000000 ] - [ 0.0001591800000000, -0.0002153400000000, 0.0006875100000000 ] - [ -0.0001591800000000, -0.0002153400000000, 0.0006875100000000 ] - [ 0.0000000000000000, 0.0064916700000000, 0.0017790400000000 ] - [ 0.0000000000000000, -0.0003037100000000, 0.0003658100000000 ] - [ -0.0000236600000000, 0.0000428700000000, -0.0010973100000000 ] - [ 0.0000236600000000, 0.0000428700000000, -0.0010973100000000 ] - [ 0.0000000000000000, -0.0003289700000000, 0.0001961000000000 ] - [ 0.0000000000000000, -0.0002529400000000, 0.0000854300000000 ] - [ 0.0000000000000000, -0.0011613100000000, -0.0005393200000000 ] - [ 0.0000000000000000, -0.0002790100000000, -0.0003731200000000 ] - [ 0.0000000000000000, -0.0078880200000000, -0.0006799100000000 ] - [ 0.0000000000000000, -0.0006185100000000, -0.0006913000000000 ] - [ 0.0000000000000000, 0.0011466100000000, 0.0019951500000000 ] - [ 0.0000000000000000, 0.0004035800000000, 0.0010088500000000 ] - [ 0.0000000000000000, -0.0006806400000000, 0.0071004200000000 ] - [ 0.0000000000000000, 0.0001872300000000, -0.0009291300000000 ] - [ 0.0027237500000000, 0.0051668600000000, -0.0022148700000000 ] - [ -0.0027237500000000, 0.0051668600000000, -0.0022148700000000 ] - [ -0.0006550600000000, 0.0001036300000000, -0.0020187200000000 ] - [ 0.0006550600000000, 0.0001036300000000, -0.0020187200000000 ] - [ -0.0005149000000000, -0.0001352800000000, -0.0004889100000000 ] - [ 0.0005149000000000, -0.0001352800000000, -0.0004889100000000 ] - [ -0.0031224600000000, 0.0003894000000000, -0.0037304200000000 ] - [ 0.0031224600000000, 0.0003894000000000, -0.0037304200000000 ] - [ 0.0000000000000000, -0.0075965600000000, 0.0002754300000000 ] - [ 0.0000000000000000, -0.0011817900000000, 0.0009760600000000 ] - [ 0.0000000000000000, -0.0012584200000000, -0.0016358400000000 ] - [ 0.0000000000000000, -0.0006358500000000, -0.0018729500000000 ] - [ 0.0000000000000000, -0.0453744700000000, 0.0000077800000000 ] - [ 0.0000000000000000, -0.0014811600000000, 0.0005967600000000 ] - [ 0.0000448900000000, -0.0004780200000000, -0.0005778900000000 ] - [ 0.0003098300000000, -0.0001974700000000, -0.0003296700000000 ] - [ -0.0007207500000000, 0.0022981800000000, -0.0055631200000000 ] - [ 0.0009713500000000, 0.0003006100000000, 0.0003425200000000 ] - [ 0.0000000000000000, -0.0035128600000000, -0.0006306900000000 ] - [ 0.0000000000000000, 0.0000288100000000, -0.0000754900000000 ] - [ 0.0002271000000000, 0.0002265800000000, -0.0020039600000000 ] - [ 0.0005537500000000, 0.0000939800000000, -0.0006048100000000 ] - [ -0.0003098300000000, -0.0001974700000000, -0.0003296700000000 ] - [ -0.0000448900000000, -0.0004780200000000, -0.0005778900000000 ] - [ -0.0009713500000000, 0.0003006100000000, 0.0003425200000000 ] - [ 0.0007207500000000, 0.0022981800000000, -0.0055631200000000 ] - [ -0.0005537500000000, 0.0000939800000000, -0.0006048100000000 ] - [ -0.0002271000000000, 0.0002265800000000, -0.0020039600000000 ] - [ 0.0000000000000000, -0.0004966700000000, -0.0000126600000000 ] - [ 0.0000000000000000, -0.0005875200000000, 0.0002935100000000 ] - [ 0.0000000000000000, 0.0025214700000000, -0.0005193500000000 ] - [ 0.0000000000000000, 0.0004313700000000, -0.0000556300000000 ] - [ 0.0000537300000000, -0.0002814600000000, 0.0000765700000000 ] - [ -0.0000537300000000, -0.0002814600000000, 0.0000765700000000 ] - [ 0.0016391800000000, -0.0018581500000000, -0.0010300500000000 ] - [ -0.0016391800000000, -0.0018581500000000, -0.0010300500000000 ] - [ 0.0003612600000000, -0.0004014300000000, 0.0004748900000000 ] - [ -0.0016246800000000, -0.0018519900000000, -0.0006455400000000 ] - [ -0.0002278100000000, -0.0000920300000000, -0.0000306000000000 ] - [ 0.0060728700000000, -0.0020176100000000, 0.0066557800000000 ] - [ 0.0016246800000000, -0.0018519900000000, -0.0006455400000000 ] - [ -0.0003612600000000, -0.0004014300000000, 0.0004748900000000 ] - [ 0.0005005200000000, -0.0001078700000000, 0.0008997200000000 ] - [ 0.0003127700000000, -0.0001125900000000, 0.0008713100000000 ] - [ -0.0001369000000000, -0.0007201900000000, 0.0008130400000000 ] - [ 0.0001369000000000, -0.0007201900000000, 0.0008130400000000 ] - [ -0.0060728700000000, -0.0020176100000000, 0.0066557800000000 ] - [ 0.0002278100000000, -0.0000920300000000, -0.0000306000000000 ] - [ -0.0003127700000000, -0.0001125900000000, 0.0008713100000000 ] - [ -0.0005005200000000, -0.0001078700000000, 0.0008997200000000 ] - [ -0.0000207000000000, 0.0008312000000000, 0.0006314600000000 ] - [ 0.0000207000000000, 0.0008312000000000, 0.0006314600000000 ] - [ -0.0008848100000000, 0.0013689400000000, 0.0006878800000000 ] - [ 0.0008848100000000, 0.0013689400000000, 0.0006878800000000 ] - [ 0.0006251100000000, 0.0002991200000000, 0.0000508400000000 ] - [ 0.0005043700000000, 0.0002251000000000, 0.0000506500000000 ] - [ 0.0011453800000000, 0.0003929400000000, 0.0005601200000000 ] - [ -0.0023762200000000, 0.0021350300000000, 0.0034251500000000 ] - [ 0.0002253600000000, 0.0012900100000000, 0.0006228700000000 ] - [ -0.0002253600000000, 0.0012900100000000, 0.0006228700000000 ] - [ 0.0008923200000000, -0.0000706100000000, 0.0002431500000000 ] - [ -0.0007612300000000, 0.0007373100000000, 0.0010579400000000 ] - [ -0.0005043700000000, 0.0002251000000000, 0.0000506500000000 ] - [ -0.0006251100000000, 0.0002991200000000, 0.0000508400000000 ] - [ 0.0023762200000000, 0.0021350300000000, 0.0034251500000000 ] - [ -0.0011453800000000, 0.0003929400000000, 0.0005601200000000 ] - [ 0.0007612300000000, 0.0007373100000000, 0.0010579400000000 ] - [ -0.0008923200000000, -0.0000706100000000, 0.0002431500000000 ] - [ 0.0000330500000000, -0.0010951400000000, 0.0007458900000000 ] - [ -0.0000330500000000, -0.0010951400000000, 0.0007458900000000 ] - [ 0.0012313500000000, -0.0014464400000000, -0.0003861500000000 ] - [ -0.0012313500000000, -0.0014464400000000, -0.0003861500000000 ] - [ 0.0000000000000000, 0.0005681900000000, -0.0000297500000000 ] - [ 0.0000000000000000, 0.0001481600000000, -0.0000042300000000 ] - [ 0.0000000000000000, 0.0092961300000000, 0.0072940900000000 ] - [ 0.0000000000000000, 0.0012725800000000, 0.0005937700000000 ] - [ 0.0005289200000000, 0.0006199800000000, -0.0003457100000000 ] - [ 0.0006272000000000, 0.0001788000000000, -0.0002886800000000 ] - [ -0.0001008900000000, 0.0033408000000000, -0.0024406600000000 ] - [ -0.0002483600000000, 0.0003450300000000, -0.0009248300000000 ] - [ -0.0006272000000000, 0.0001788000000000, -0.0002886800000000 ] - [ -0.0005289200000000, 0.0006199800000000, -0.0003457100000000 ] - [ 0.0004041300000000, 0.0000409800000000, 0.0007891300000000 ] - [ 0.0003103100000000, 0.0000187400000000, 0.0008765300000000 ] - [ 0.0000000000000000, 0.0013830400000000, -0.0001901700000000 ] - [ 0.0000000000000000, -0.0003553600000000, 0.0000574700000000 ] - [ 0.0002483600000000, 0.0003450300000000, -0.0009248300000000 ] - [ 0.0001008900000000, 0.0033408000000000, -0.0024406600000000 ] - [ -0.0003103100000000, 0.0000187400000000, 0.0008765300000000 ] - [ -0.0004041300000000, 0.0000409800000000, 0.0007891300000000 ] - [ 0.0000000000000000, 0.0008049200000000, 0.0007276800000000 ] - [ 0.0000000000000000, 0.0007453300000000, 0.0008281500000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0002555800000000, 0.0011370100000000 ] - [ 0.0000000000000000, 0.0000384400000000, -0.0001363700000000 ] - [ 0.0000000000000000, -0.0209453500000000, 0.0064052900000000 ] - [ 0.0000000000000000, 0.0004768300000000, 0.0002642500000000 ] - [ -0.0009878200000000, 0.0010916500000000, 0.0013249400000000 ] - [ 0.0009878200000000, 0.0010916500000000, 0.0013249400000000 ] - [ 0.0000000000000000, 0.0008083100000000, -0.0005214400000000 ] - [ 0.0000000000000000, 0.0008352400000000, 0.0001097800000000 ] - [ 0.0000000000000000, -0.0002829800000000, 0.0011133600000000 ] - [ 0.0000000000000000, -0.0001147200000000, 0.0007245200000000 ] - [ -0.0008715600000000, 0.0004878200000000, -0.0006750200000000 ] - [ 0.0008715600000000, 0.0004878200000000, -0.0006750200000000 ] - [ 0.0000000000000000, 0.0000583600000000, -0.0009940700000000 ] - [ 0.0000000000000000, 0.0000533500000000, -0.0008655500000000 ] - [ -0.0000501900000000, -0.0002895500000000, 0.0002949800000000 ] - [ 0.0000501900000000, -0.0002895500000000, 0.0002949800000000 ] - [ -0.0002497600000000, -0.0007847800000000, -0.0006371700000000 ] - [ 0.0002497600000000, -0.0007847800000000, -0.0006371700000000 ] - [ -0.0028252000000000, -0.0045399800000000, -0.0016274100000000 ] - [ 0.0028252000000000, -0.0045399800000000, -0.0016274100000000 ] - [ 0.0004803300000000, -0.0001242400000000, -0.0007939300000000 ] - [ -0.0004803300000000, -0.0001242400000000, -0.0007939300000000 ] - [ 0.0036591400000000, 0.0030110500000000, -0.0007303700000000 ] - [ -0.0036591400000000, 0.0030110500000000, -0.0007303700000000 ] - [ 0.0000000000000000, -0.0080164300000000, 0.0028617100000000 ] - [ 0.0000000000000000, -0.0005811400000000, 0.0006931100000000 ] - [ 0.0000102900000000, 0.0011043300000000, 0.0000267600000000 ] - [ -0.0000102900000000, 0.0011043300000000, 0.0000267600000000 ] - [ -0.0001610000000000, 0.0005097400000000, 0.0004991200000000 ] - [ 0.0001610000000000, 0.0005097400000000, 0.0004991200000000 ] - [ 0.0000000000000000, -0.0084052900000000, -0.0017871100000000 ] - [ 0.0000000000000000, -0.0016227100000000, -0.0005133500000000 ] - [ 0.0000247000000000, -0.0000129200000000, -0.0006926000000000 ] - [ -0.0000247000000000, -0.0000129200000000, -0.0006926000000000 ] - [ 0.0000000000000000, 0.0000148000000000, 0.0004034900000000 ] - [ 0.0000000000000000, -0.0000625100000000, 0.0005142100000000 ] - [ 0.0000000000000000, 0.0014685200000000, -0.0002774400000000 ] - [ 0.0000000000000000, 0.0005724000000000, -0.0004408000000000 ] - [ 0.0000000000000000, 0.0078749300000000, -0.0011498400000000 ] - [ 0.0000000000000000, 0.0005900300000000, -0.0011073400000000 ] - [ 0.0000000000000000, -0.0005042500000000, -0.0006955500000000 ] - [ 0.0000000000000000, 0.0002458700000000, 0.0002999800000000 ] - [ 0.0000000000000000, 0.0015780500000000, -0.0107567400000000 ] - [ 0.0000000000000000, 0.0007375900000000, -0.0026790800000000 ] - [ -0.0027346600000000, -0.0058545700000000, 0.0035125300000000 ] - [ 0.0027346600000000, -0.0058545700000000, 0.0035125300000000 ] - [ 0.0006570000000000, -0.0010410800000000, -0.0016008700000000 ] - [ -0.0006570000000000, -0.0010410800000000, -0.0016008700000000 ] - [ 0.0005209800000000, 0.0007938300000000, 0.0018009200000000 ] - [ -0.0005209800000000, 0.0007938300000000, 0.0018009200000000 ] - [ 0.0031225400000000, 0.0005795900000000, 0.0001045200000000 ] - [ -0.0031225400000000, 0.0005795900000000, 0.0001045200000000 ] - [ 0.0000000000000000, 0.0069953600000000, 0.0010795200000000 ] - [ 0.0000000000000000, 0.0005338800000000, 0.0003304900000000 ] - [ 0.0000000000000000, 0.0003323900000000, -0.0019652000000000 ] - [ 0.0000000000000000, -0.0002976500000000, -0.0017388500000000 ] - [ 0.0000000000000000, 0.0452166800000000, 0.0014516000000000 ] - [ 0.0000000000000000, -0.0001307400000000, 0.0006819900000000 ] - [ 0.0005926400000000, 0.0003238600000000, 0.0001047600000000 ] - [ 0.0003245200000000, 0.0000391100000000, -0.0001463900000000 ] - [ 0.0014670900000000, -0.0022130900000000, 0.0072115000000000 ] - [ -0.0002379000000000, -0.0002235600000000, 0.0012536700000000 ] - [ 0.0000000000000000, 0.0042120000000000, 0.0008785600000000 ] - [ 0.0000000000000000, 0.0006514500000000, 0.0003235900000000 ] - [ 0.0007757100000000, -0.0001777200000000, 0.0014100700000000 ] - [ 0.0004450700000000, -0.0000445200000000, 0.0000030000000000 ] - [ -0.0003245200000000, 0.0000391100000000, -0.0001463900000000 ] - [ -0.0005926400000000, 0.0003238600000000, 0.0001047600000000 ] - [ 0.0002379000000000, -0.0002235600000000, 0.0012536700000000 ] - [ -0.0014670900000000, -0.0022130900000000, 0.0072115000000000 ] - [ -0.0004450700000000, -0.0000445200000000, 0.0000030000000000 ] - [ -0.0007757100000000, -0.0001777200000000, 0.0014100700000000 ] - [ 0.0000000000000000, -0.0010304800000000, 0.0007930800000000 ] - [ 0.0000000000000000, -0.0009380100000000, 0.0004838200000000 ] - [ 0.0000000000000000, -0.0025245400000000, 0.0004618300000000 ] - [ 0.0000000000000000, -0.0004399600000000, -0.0000308600000000 ] - [ -0.0000541700000000, 0.0002959000000000, -0.0001667400000000 ] - [ 0.0000541700000000, 0.0002959000000000, -0.0001667400000000 ] - [ -0.0016585400000000, 0.0033966700000000, 0.0018385700000000 ] - [ 0.0016585400000000, 0.0033966700000000, 0.0018385700000000 ] - [ 0.0006423900000000, 0.0003572500000000, -0.0010760400000000 ] - [ 0.0026313800000000, 0.0018138100000000, 0.0000501600000000 ] - [ 0.0008676000000000, 0.0002540800000000, -0.0004377900000000 ] - [ -0.0054737400000000, 0.0022167400000000, -0.0071717100000000 ] - [ -0.0026313800000000, 0.0018138100000000, 0.0000501600000000 ] - [ -0.0006423900000000, 0.0003572500000000, -0.0010760400000000 ] - [ 0.0002259000000000, 0.0000448700000000, 0.0007097100000000 ] - [ 0.0004133000000000, 0.0000501900000000, 0.0007383100000000 ] - [ 0.0001384100000000, 0.0000443800000000, -0.0005641900000000 ] - [ -0.0001384100000000, 0.0000443800000000, -0.0005641900000000 ] - [ 0.0054737400000000, 0.0022167400000000, -0.0071717100000000 ] - [ -0.0008676000000000, 0.0002540800000000, -0.0004377900000000 ] - [ -0.0004133000000000, 0.0000501900000000, 0.0007383100000000 ] - [ -0.0002259000000000, 0.0000448700000000, 0.0007097100000000 ] - [ 0.0000209400000000, 0.0007777700000000, 0.0006418600000000 ] - [ -0.0000209400000000, 0.0007777700000000, 0.0006418600000000 ] - [ 0.0009034800000000, -0.0029862400000000, 0.0005914200000000 ] - [ -0.0009034800000000, -0.0029862400000000, 0.0005914200000000 ] - [ 0.0000103300000000, -0.0004582600000000, -0.0005255800000000 ] - [ 0.0001316800000000, -0.0003838900000000, -0.0005263000000000 ] - [ -0.0004200500000000, -0.0003343700000000, 0.0010555700000000 ] - [ 0.0030890700000000, -0.0020832900000000, -0.0017856200000000 ] - [ -0.0002252600000000, -0.0006136200000000, -0.0003727800000000 ] - [ 0.0002252600000000, -0.0006136200000000, -0.0003727800000000 ] - [ 0.0001099100000000, 0.0001141200000000, -0.0008455200000000 ] - [ 0.0017833500000000, -0.0007014800000000, -0.0016742200000000 ] - [ -0.0001316800000000, -0.0003838900000000, -0.0005263000000000 ] - [ -0.0000103300000000, -0.0004582600000000, -0.0005255800000000 ] - [ -0.0030890700000000, -0.0020832900000000, -0.0017856200000000 ] - [ 0.0004200500000000, -0.0003343700000000, 0.0010555700000000 ] - [ -0.0017833500000000, -0.0007014800000000, -0.0016742200000000 ] - [ -0.0001099100000000, 0.0001141200000000, -0.0008455200000000 ] - [ -0.0000336700000000, -0.0004326500000000, 0.0000328900000000 ] - [ 0.0000336700000000, -0.0004326500000000, 0.0000328900000000 ] - [ -0.0012450000000000, 0.0014113800000000, 0.0002800000000000 ] - [ 0.0012450000000000, 0.0014113800000000, 0.0002800000000000 ] - [ 0.0000000000000000, -0.0005525200000000, -0.0000650700000000 ] - [ 0.0000000000000000, -0.0001319200000000, -0.0000865200000000 ] - [ 0.0000000000000000, -0.0078565000000000, -0.0066110700000000 ] - [ 0.0000000000000000, 0.0002571000000000, 0.0001867400000000 ] - [ 0.0004811500000000, -0.0006654000000000, -0.0002703400000000 ] - [ 0.0003738600000000, -0.0002250600000000, -0.0003154500000000 ] - [ 0.0007495800000000, -0.0032016200000000, 0.0019569600000000 ] - [ 0.0008829100000000, -0.0001902100000000, 0.0004484900000000 ] - [ -0.0003738600000000, -0.0002250600000000, -0.0003154500000000 ] - [ -0.0004811500000000, -0.0006654000000000, -0.0002703400000000 ] - [ 0.0003257900000000, -0.0001067700000000, 0.0008156700000000 ] - [ 0.0004163900000000, -0.0000830600000000, 0.0007313000000000 ] - [ 0.0000000000000000, -0.0020903400000000, 0.0004374000000000 ] - [ 0.0000000000000000, -0.0003264700000000, 0.0001905800000000 ] - [ -0.0008829100000000, -0.0001902100000000, 0.0004484900000000 ] - [ -0.0007495800000000, -0.0032016200000000, 0.0019569600000000 ] - [ -0.0004163900000000, -0.0000830600000000, 0.0007313000000000 ] - [ -0.0003257900000000, -0.0001067700000000, 0.0008156700000000 ] - [ 0.0000000000000000, 0.0008034600000000, 0.0005473800000000 ] - [ 0.0000000000000000, 0.0008626700000000, 0.0004456600000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0015985200000000, -0.0020308400000000 ] - [ 0.0000000000000000, -0.0006901000000000, -0.0007639100000000 ] - [ 0.0000000000000000, 0.0011501200000000, 0.0094126800000000 ] - [ 0.0000000000000000, 0.0004208900000000, 0.0028679400000000 ] - [ 0.0008411900000000, -0.0008624700000000, 0.0015368900000000 ] - [ -0.0008411900000000, -0.0008624700000000, 0.0015368900000000 ] - [ 0.0000000000000000, 0.0011581800000000, -0.0029122700000000 ] - [ 0.0000000000000000, 0.0014419700000000, -0.0012541700000000 ] - [ 0.0000000000000000, 0.0000350500000000, -0.0022128100000000 ] - [ 0.0000000000000000, 0.0003308500000000, -0.0005012700000000 ] - [ -0.0007596000000000, -0.0008702400000000, 0.0009998400000000 ] - [ 0.0007596000000000, -0.0008702400000000, 0.0009998400000000 ] - [ 0.0000000000000000, -0.0001461200000000, -0.0031658500000000 ] - [ 0.0000000000000000, -0.0002803300000000, -0.0025844900000000 ] - [ -0.0001341800000000, 0.0000653600000000, -0.0017546300000000 ] - [ 0.0001341800000000, 0.0000653600000000, -0.0017546300000000 ] - [ -0.0014634900000000, 0.0009875400000000, -0.0015914100000000 ] - [ 0.0014634900000000, 0.0009875400000000, -0.0015914100000000 ] - [ -0.0023771200000000, 0.0004055200000000, 0.0061114900000000 ] - [ 0.0023771200000000, 0.0004055200000000, 0.0061114900000000 ] - [ 0.0015042000000000, 0.0006715100000000, -0.0012743900000000 ] - [ -0.0015042000000000, 0.0006715100000000, -0.0012743900000000 ] - [ 0.0007635500000000, 0.0009345000000000, 0.0047628300000000 ] - [ -0.0007635500000000, 0.0009345000000000, 0.0047628300000000 ] - [ 0.0000000000000000, -0.0038987200000000, 0.0186680500000000 ] - [ 0.0000000000000000, 0.0002250300000000, 0.0017313500000000 ] - [ 0.0003222800000000, 0.0008893600000000, -0.0012123600000000 ] - [ -0.0003222800000000, 0.0008893600000000, -0.0012123600000000 ] - [ -0.0002891700000000, -0.0001579400000000, -0.0005662200000000 ] - [ 0.0002891700000000, -0.0001579400000000, -0.0005662200000000 ] - [ 0.0000000000000000, 0.0029691400000000, 0.0183984000000000 ] - [ 0.0000000000000000, -0.0004750300000000, 0.0008066500000000 ] - [ 0.0001405700000000, -0.0000128900000000, -0.0030071200000000 ] - [ -0.0001405700000000, -0.0000128900000000, -0.0030071200000000 ] - [ 0.0000000000000000, -0.0000398900000000, -0.0019415100000000 ] - [ 0.0000000000000000, -0.0001118600000000, -0.0015129900000000 ] - [ 0.0000000000000000, -0.0011432400000000, -0.0014615700000000 ] - [ 0.0000000000000000, -0.0002670900000000, -0.0005401000000000 ] - [ 0.0000000000000000, -0.0014996400000000, 0.0036754800000000 ] - [ 0.0000000000000000, -0.0004585000000000, 0.0012431900000000 ] - [ 0.0000000000000000, 0.0015815700000000, -0.0033467100000000 ] - [ 0.0000000000000000, 0.0002561800000000, -0.0005741500000000 ] - [ 0.0000000000000000, 0.0070160100000000, -0.0033675300000000 ] - [ 0.0000000000000000, 0.0007468900000000, -0.0012624200000000 ] - [ 0.0063073500000000, -0.0019688600000000, -0.0004861800000000 ] - [ -0.0063073500000000, -0.0019688600000000, -0.0004861800000000 ] - [ 0.0017829800000000, -0.0008598800000000, -0.0057507800000000 ] - [ -0.0017829800000000, -0.0008598800000000, -0.0057507800000000 ] - [ -0.0020121700000000, -0.0012093200000000, -0.0029172100000000 ] - [ 0.0020121700000000, -0.0012093200000000, -0.0029172100000000 ] - [ -0.0047323500000000, -0.0023101700000000, -0.0023219600000000 ] - [ 0.0047323500000000, -0.0023101700000000, -0.0023219600000000 ] - [ 0.0000000000000000, 0.0039635300000000, -0.0003325000000000 ] - [ 0.0000000000000000, -0.0002574100000000, 0.0012762400000000 ] - [ 0.0000000000000000, 0.0016395900000000, -0.0051967500000000 ] - [ 0.0000000000000000, -0.0004163800000000, -0.0031010100000000 ] - [ 0.0000000000000000, -0.0019430700000000, -0.0692196500000000 ] - [ 0.0000000000000000, -0.0008465700000000, -0.0015081100000000 ] - [ 0.0009873200000000, 0.0001151800000000, 0.0012424500000000 ] - [ 0.0003963300000000, -0.0000781400000000, 0.0006099500000000 ] - [ 0.0016418300000000, -0.0042291100000000, 0.0012352900000000 ] - [ 0.0000484400000000, 0.0000368500000000, 0.0001208900000000 ] - [ 0.0000000000000000, -0.0047683200000000, 0.0032944600000000 ] - [ 0.0000000000000000, -0.0000143700000000, 0.0002341900000000 ] - [ 0.0010726900000000, -0.0007673800000000, 0.0009640100000000 ] - [ 0.0001869400000000, 0.0000614700000000, -0.0000500500000000 ] - [ -0.0003963300000000, -0.0000781400000000, 0.0006099500000000 ] - [ -0.0009873200000000, 0.0001151800000000, 0.0012424500000000 ] - [ -0.0000484400000000, 0.0000368500000000, 0.0001208900000000 ] - [ -0.0016418300000000, -0.0042291100000000, 0.0012352900000000 ] - [ -0.0001869400000000, 0.0000614700000000, -0.0000500500000000 ] - [ -0.0010726900000000, -0.0007673800000000, 0.0009640100000000 ] - [ 0.0000000000000000, -0.0017537800000000, 0.0020584900000000 ] - [ 0.0000000000000000, -0.0008549400000000, 0.0012547100000000 ] - [ 0.0000000000000000, -0.0020446300000000, -0.0016907000000000 ] - [ 0.0000000000000000, -0.0000833000000000, -0.0006591300000000 ] - [ -0.0002715700000000, -0.0007877700000000, 0.0013739500000000 ] - [ 0.0002715700000000, -0.0007877700000000, 0.0013739500000000 ] - [ -0.0035173400000000, 0.0013073800000000, -0.0001959600000000 ] - [ 0.0035173400000000, 0.0013073800000000, -0.0001959600000000 ] - [ -0.0007431900000000, -0.0002366300000000, 0.0008566400000000 ] - [ 0.0044942300000000, 0.0023017500000000, 0.0030265900000000 ] - [ -0.0015747600000000, 0.0011893100000000, -0.0017504600000000 ] - [ 0.0036260300000000, 0.0024031900000000, 0.0011895400000000 ] - [ -0.0044942300000000, 0.0023017500000000, 0.0030265900000000 ] - [ 0.0007431900000000, -0.0002366300000000, 0.0008566400000000 ] - [ -0.0007435900000000, 0.0004362200000000, 0.0023638900000000 ] - [ -0.0000010900000000, 0.0003680400000000, 0.0023401000000000 ] - [ -0.0007073700000000, 0.0003043600000000, 0.0012746500000000 ] - [ 0.0007073700000000, 0.0003043600000000, 0.0012746500000000 ] - [ -0.0036260300000000, 0.0024031900000000, 0.0011895400000000 ] - [ 0.0015747600000000, 0.0011893100000000, -0.0017504600000000 ] - [ 0.0000010900000000, 0.0003680400000000, 0.0023401000000000 ] - [ 0.0007435900000000, 0.0004362200000000, 0.0023638900000000 ] - [ 0.0000200900000000, 0.0008051500000000, 0.0021837000000000 ] - [ -0.0000200900000000, 0.0008051500000000, 0.0021837000000000 ] - [ -0.0001582600000000, -0.0007519600000000, -0.0016117300000000 ] - [ 0.0001582600000000, -0.0007519600000000, -0.0016117300000000 ] - [ 0.0014378300000000, 0.0008697500000000, 0.0009874400000000 ] - [ 0.0007162300000000, 0.0005098200000000, 0.0012438000000000 ] - [ 0.0018548400000000, 0.0008367100000000, -0.0009647000000000 ] - [ -0.0025337100000000, 0.0029389500000000, 0.0000775400000000 ] - [ 0.0005568600000000, 0.0012922200000000, 0.0009076900000000 ] - [ -0.0005568600000000, 0.0012922200000000, 0.0009076900000000 ] - [ 0.0014119500000000, 0.0001211000000000, 0.0005860200000000 ] - [ -0.0038636100000000, 0.0024910800000000, 0.0033944500000000 ] - [ -0.0007162300000000, 0.0005098200000000, 0.0012438000000000 ] - [ -0.0014378300000000, 0.0008697500000000, 0.0009874400000000 ] - [ 0.0025337100000000, 0.0029389500000000, 0.0000775400000000 ] - [ -0.0018548400000000, 0.0008367100000000, -0.0009647000000000 ] - [ 0.0038636100000000, 0.0024910800000000, 0.0033944500000000 ] - [ -0.0014119500000000, 0.0001211000000000, 0.0005860200000000 ] - [ 0.0002157400000000, -0.0014432900000000, 0.0019985100000000 ] - [ -0.0002157400000000, -0.0014432900000000, 0.0019985100000000 ] - [ 0.0031575600000000, 0.0005250900000000, -0.0001785300000000 ] - [ -0.0031575600000000, 0.0005250900000000, -0.0001785300000000 ] - [ 0.0000000000000000, -0.0010903700000000, 0.0012705600000000 ] - [ 0.0000000000000000, -0.0000221400000000, 0.0006376200000000 ] - [ 0.0000000000000000, -0.0000014700000000, -0.0008349100000000 ] - [ 0.0000000000000000, 0.0007955100000000, -0.0004935600000000 ] - [ -0.0000082900000000, -0.0006225400000000, 0.0006550200000000 ] - [ 0.0008547100000000, 0.0000547500000000, -0.0001146700000000 ] - [ -0.0010734000000000, -0.0035128600000000, -0.0010363400000000 ] - [ 0.0004166900000000, -0.0001086700000000, -0.0009817300000000 ] - [ -0.0008547100000000, 0.0000547500000000, -0.0001146700000000 ] - [ 0.0000082900000000, -0.0006225400000000, 0.0006550200000000 ] - [ -0.0004487400000000, 0.0001968200000000, 0.0023922400000000 ] - [ 0.0002732600000000, 0.0001069700000000, 0.0016739500000000 ] - [ 0.0000000000000000, -0.0045342500000000, 0.0035343500000000 ] - [ 0.0000000000000000, -0.0006837300000000, 0.0003750300000000 ] - [ -0.0004166900000000, -0.0001086700000000, -0.0009817300000000 ] - [ 0.0010734000000000, -0.0035128600000000, -0.0010363400000000 ] - [ -0.0002732600000000, 0.0001069700000000, 0.0016739500000000 ] - [ 0.0004487400000000, 0.0001968200000000, 0.0023922400000000 ] - [ 0.0000000000000000, 0.0007129200000000, 0.0028673500000000 ] - [ 0.0000000000000000, 0.0006086300000000, 0.0021762900000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0013137100000000, 0.0012124300000000 ] - [ 0.0000000000000000, 0.0003944100000000, -0.0000564100000000 ] - [ 0.0000000000000000, -0.0009036100000000, -0.0088739300000000 ] - [ 0.0000000000000000, -0.0001146500000000, -0.0022811700000000 ] - [ -0.0008371900000000, 0.0005677200000000, -0.0003620600000000 ] - [ 0.0008371900000000, 0.0005677200000000, -0.0003620600000000 ] - [ 0.0000000000000000, 0.0007739500000000, 0.0027764700000000 ] - [ 0.0000000000000000, 0.0004875400000000, 0.0010997100000000 ] - [ 0.0000000000000000, 0.0002571300000000, 0.0033826600000000 ] - [ 0.0000000000000000, -0.0000360300000000, 0.0016880500000000 ] - [ 0.0007594100000000, -0.0010670400000000, -0.0011416300000000 ] - [ -0.0007594100000000, -0.0010670400000000, -0.0011416300000000 ] - [ 0.0000000000000000, 0.0001746300000000, 0.0013738400000000 ] - [ 0.0000000000000000, 0.0003095000000000, 0.0007920600000000 ] - [ 0.0001329400000000, -0.0003784900000000, 0.0023501400000000 ] - [ -0.0001329400000000, -0.0003784900000000, 0.0023501400000000 ] - [ 0.0014512500000000, -0.0006831600000000, 0.0007794700000000 ] - [ -0.0014512500000000, -0.0006831600000000, 0.0007794700000000 ] - [ 0.0024512900000000, -0.0004492100000000, -0.0078625700000000 ] - [ -0.0024512900000000, -0.0004492100000000, -0.0078625700000000 ] - [ -0.0015194400000000, -0.0009729500000000, 0.0004596000000000 ] - [ 0.0015194400000000, -0.0009729500000000, 0.0004596000000000 ] - [ -0.0007446400000000, -0.0005947900000000, -0.0041772400000000 ] - [ 0.0007446400000000, -0.0005947900000000, -0.0041772400000000 ] - [ 0.0000000000000000, 0.0040712700000000, -0.0187540800000000 ] - [ 0.0000000000000000, -0.0005135800000000, -0.0005558900000000 ] - [ -0.0003250500000000, 0.0010392700000000, 0.0010587600000000 ] - [ 0.0003250500000000, 0.0010392700000000, 0.0010587600000000 ] - [ 0.0002873700000000, 0.0004456400000000, 0.0017550100000000 ] - [ -0.0002873700000000, 0.0004456400000000, 0.0017550100000000 ] - [ 0.0000000000000000, -0.0044825000000000, -0.0172566100000000 ] - [ 0.0000000000000000, -0.0014465300000000, -0.0009459900000000 ] - [ -0.0001414600000000, 0.0000411700000000, 0.0012115700000000 ] - [ 0.0001414600000000, 0.0000411700000000, 0.0012115700000000 ] - [ 0.0000000000000000, -0.0002766400000000, 0.0025364700000000 ] - [ 0.0000000000000000, -0.0002046900000000, 0.0021051700000000 ] - [ 0.0000000000000000, 0.0014171000000000, 0.0006474800000000 ] - [ 0.0000000000000000, 0.0005551500000000, -0.0002682800000000 ] - [ 0.0000000000000000, 0.0014774500000000, -0.0054530200000000 ] - [ 0.0000000000000000, 0.0004267800000000, -0.0030318200000000 ] - [ 0.0000000000000000, -0.0009197700000000, 0.0046502000000000 ] - [ 0.0000000000000000, 0.0003915200000000, 0.0018909300000000 ] - [ 0.0000000000000000, -0.0060470400000000, -0.0001867000000000 ] - [ 0.0000000000000000, 0.0001816200000000, -0.0023256600000000 ] - [ -0.0063280300000000, 0.0013445800000000, 0.0017429700000000 ] - [ 0.0063280300000000, 0.0013445800000000, 0.0017429700000000 ] - [ -0.0018004100000000, -0.0000680700000000, 0.0021355900000000 ] - [ 0.0018004100000000, -0.0000680700000000, 0.0021355900000000 ] - [ 0.0019888800000000, 0.0018407000000000, 0.0042131500000000 ] - [ -0.0019888800000000, 0.0018407000000000, 0.0042131500000000 ] - [ 0.0047021700000000, 0.0032384400000000, -0.0012597100000000 ] - [ -0.0047021700000000, 0.0032384400000000, -0.0012597100000000 ] - [ 0.0000000000000000, -0.0046642800000000, 0.0016033000000000 ] - [ 0.0000000000000000, -0.0003841200000000, 0.0000141300000000 ] - [ 0.0000000000000000, -0.0026025500000000, 0.0015821800000000 ] - [ 0.0000000000000000, -0.0005199700000000, -0.0005235500000000 ] - [ 0.0000000000000000, -0.0005082100000000, 0.0704812700000000 ] - [ 0.0000000000000000, -0.0007682900000000, 0.0027873700000000 ] - [ -0.0003492500000000, -0.0002738300000000, -0.0017135300000000 ] - [ 0.0002373700000000, -0.0000812500000000, -0.0010846900000000 ] - [ -0.0008971900000000, 0.0042848800000000, 0.0003307700000000 ] - [ 0.0006944900000000, 0.0000413000000000, 0.0014639300000000 ] - [ 0.0000000000000000, 0.0053968500000000, -0.0030386200000000 ] - [ 0.0000000000000000, 0.0006940600000000, 0.0000083800000000 ] - [ -0.0000648300000000, 0.0008078600000000, -0.0015783900000000 ] - [ 0.0008154000000000, -0.0000152300000000, -0.0005594400000000 ] - [ -0.0002373700000000, -0.0000812500000000, -0.0010846900000000 ] - [ 0.0003492500000000, -0.0002738300000000, -0.0017135300000000 ] - [ -0.0006944900000000, 0.0000413000000000, 0.0014639300000000 ] - [ 0.0008971900000000, 0.0042848800000000, 0.0003307700000000 ] - [ -0.0008154000000000, -0.0000152300000000, -0.0005594400000000 ] - [ 0.0000648300000000, 0.0008078600000000, -0.0015783900000000 ] - [ 0.0000000000000000, 0.0002220400000000, -0.0012773600000000 ] - [ 0.0000000000000000, -0.0006697200000000, -0.0004771900000000 ] - [ 0.0000000000000000, 0.0020261000000000, 0.0015847500000000 ] - [ 0.0000000000000000, 0.0000694700000000, 0.0005630200000000 ] - [ 0.0002741900000000, 0.0008036300000000, -0.0014649200000000 ] - [ -0.0002741900000000, 0.0008036300000000, -0.0014649200000000 ] - [ 0.0035275000000000, 0.0002231500000000, 0.0010103500000000 ] - [ -0.0035275000000000, 0.0002231500000000, 0.0010103500000000 ] - [ 0.0017517600000000, 0.0001905600000000, -0.0014461200000000 ] - [ -0.0035287400000000, -0.0023742200000000, -0.0036376900000000 ] - [ 0.0022156000000000, -0.0010364300000000, 0.0012898000000000 ] - [ -0.0029821900000000, -0.0022743300000000, -0.0016226200000000 ] - [ 0.0035287400000000, -0.0023742200000000, -0.0036376900000000 ] - [ -0.0017517600000000, 0.0001905600000000, -0.0014461200000000 ] - [ 0.0014766900000000, -0.0005021100000000, -0.0007571200000000 ] - [ 0.0007265500000000, -0.0004328700000000, -0.0007331100000000 ] - [ 0.0007103900000000, -0.0009936900000000, -0.0010162100000000 ] - [ -0.0007103900000000, -0.0009936900000000, -0.0010162100000000 ] - [ 0.0029821900000000, -0.0022743300000000, -0.0016226200000000 ] - [ -0.0022156000000000, -0.0010364300000000, 0.0012898000000000 ] - [ -0.0007265500000000, -0.0004328700000000, -0.0007331100000000 ] - [ -0.0014766900000000, -0.0005021100000000, -0.0007571200000000 ] - [ -0.0000192800000000, 0.0008017800000000, -0.0009073200000000 ] - [ 0.0000192800000000, 0.0008017800000000, -0.0009073200000000 ] - [ 0.0001546800000000, -0.0008551300000000, 0.0028868400000000 ] - [ -0.0001546800000000, -0.0008551300000000, 0.0028868400000000 ] - [ -0.0007899600000000, -0.0010164600000000, -0.0014561100000000 ] - [ -0.0000773500000000, -0.0006608200000000, -0.0017117300000000 ] - [ -0.0011171200000000, -0.0007684400000000, 0.0025594500000000 ] - [ 0.0032551600000000, -0.0028611600000000, 0.0014966900000000 ] - [ -0.0005531900000000, -0.0006011200000000, -0.0006668300000000 ] - [ 0.0005531900000000, -0.0006011200000000, -0.0006668300000000 ] - [ -0.0003978100000000, -0.0000784800000000, -0.0011958600000000 ] - [ 0.0048175400000000, -0.0024209100000000, -0.0039702800000000 ] - [ 0.0000773500000000, -0.0006608200000000, -0.0017117300000000 ] - [ 0.0007899600000000, -0.0010164600000000, -0.0014561100000000 ] - [ -0.0032551600000000, -0.0028611600000000, 0.0014966900000000 ] - [ 0.0011171200000000, -0.0007684400000000, 0.0025594500000000 ] - [ -0.0048175400000000, -0.0024209100000000, -0.0039702800000000 ] - [ 0.0003978100000000, -0.0000784800000000, -0.0011958600000000 ] - [ -0.0002136300000000, -0.0000902500000000, -0.0012115700000000 ] - [ 0.0002136300000000, -0.0000902500000000, -0.0012115700000000 ] - [ -0.0031405200000000, -0.0005574200000000, 0.0000567400000000 ] - [ 0.0031405200000000, -0.0005574200000000, 0.0000567400000000 ] - [ 0.0000000000000000, 0.0011185800000000, -0.0013621400000000 ] - [ 0.0000000000000000, 0.0000385000000000, -0.0007267000000000 ] - [ 0.0000000000000000, 0.0015851500000000, 0.0016661800000000 ] - [ 0.0000000000000000, 0.0007354600000000, 0.0012790700000000 ] - [ 0.0010166000000000, 0.0005836400000000, -0.0012473000000000 ] - [ 0.0001488300000000, -0.0000989500000000, -0.0004805700000000 ] - [ 0.0017200700000000, 0.0036923100000000, 0.0005879200000000 ] - [ 0.0002238900000000, 0.0002623900000000, 0.0005202800000000 ] - [ -0.0001488300000000, -0.0000989500000000, -0.0004805700000000 ] - [ -0.0010166000000000, 0.0005836400000000, -0.0012473000000000 ] - [ 0.0011801700000000, -0.0002598700000000, -0.0007875100000000 ] - [ 0.0004516100000000, -0.0001697900000000, -0.0000634200000000 ] - [ 0.0000000000000000, 0.0039048900000000, -0.0033094300000000 ] - [ 0.0000000000000000, 0.0000003600000000, -0.0001200500000000 ] - [ -0.0002238900000000, 0.0002623900000000, 0.0005202800000000 ] - [ -0.0017200700000000, 0.0036923100000000, 0.0005879200000000 ] - [ -0.0004516100000000, -0.0001697900000000, -0.0000634200000000 ] - [ -0.0011801700000000, -0.0002598700000000, -0.0007875100000000 ] - [ 0.0000000000000000, 0.0008955700000000, -0.0015893000000000 ] - [ 0.0000000000000000, 0.0009982100000000, -0.0008981500000000 ]- atom: 59 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006319100000000, 0.0000686000000000, -0.0006025900000000 ] - [ -0.0007126100000000, -0.0000519900000000, -0.0009280700000000 ] - [ 0.0002865500000000, 0.0002795300000000, -0.0011143300000000 ] - [ -0.0002684600000000, 0.0001513300000000, 0.0001710700000000 ] - [ 0.0001533900000000, 0.0000462900000000, 0.0001220600000000 ] - [ -0.0001589200000000, -0.0001141000000000, 0.0001913600000000 ] - [ 0.0008855800000000, 0.0006343400000000, 0.0001471800000000 ] - [ -0.0010044200000000, 0.0006139000000000, -0.0006243800000000 ] - [ 0.0083856700000000, -0.0000091900000000, 0.0014184200000000 ] - [ -0.0024795900000000, -0.0010462300000000, 0.0012593600000000 ] - [ 0.0012922100000000, -0.0012576700000000, 0.0000437000000000 ] - [ -0.0019030500000000, -0.0019521600000000, -0.0020402800000000 ] - [ 0.0036788200000000, 0.0008259500000000, 0.0045649000000000 ] - [ -0.0028738800000000, 0.0007678300000000, -0.0015864700000000 ] - [ 0.0108323600000000, 0.0051739300000000, 0.0070657900000000 ] - [ -0.0039826900000000, 0.0006028500000000, 0.0047329300000000 ] - [ 0.0028491700000000, -0.0010354800000000, 0.0053002400000000 ] - [ -0.0040172000000000, 0.0022404100000000, -0.0026691400000000 ] - [ 0.0006650200000000, 0.0004745500000000, -0.0007891900000000 ] - [ -0.0006925800000000, 0.0002333900000000, -0.0017962100000000 ] - [ 0.0002018500000000, -0.0004836200000000, -0.0008871000000000 ] - [ -0.0002040100000000, -0.0001168700000000, -0.0004779500000000 ] - [ 0.0001832600000000, -0.0000822000000000, 0.0002958800000000 ] - [ -0.0001908700000000, 0.0000239300000000, -0.0003288400000000 ] - [ 0.0002656100000000, -0.0001783700000000, 0.0001557500000000 ] - [ -0.0002717400000000, -0.0001658200000000, 0.0002881200000000 ] - [ 0.0004051800000000, 0.0018299600000000, -0.0014377700000000 ] - [ -0.0003658600000000, 0.0007212200000000, 0.0005508200000000 ] - [ 0.0009128900000000, 0.0069675500000000, 0.0029693500000000 ] - [ -0.0042792400000000, -0.0020059800000000, 0.0017272700000000 ] - [ 0.0010472600000000, 0.0001416000000000, -0.0007238400000000 ] - [ -0.0010916900000000, -0.0012969600000000, 0.0003117200000000 ] - [ 0.0006727500000000, -0.0015161600000000, -0.0017786400000000 ] - [ -0.0005967900000000, 0.0002051200000000, -0.0000953100000000 ] - [ 0.0011971300000000, -0.0023791100000000, 0.0021757200000000 ] - [ -0.0012000200000000, -0.0000665600000000, 0.0004741800000000 ] - [ 0.0016954700000000, -0.0023898500000000, -0.0008637600000000 ] - [ -0.0012723000000000, 0.0003332000000000, -0.0000048600000000 ] - [ 0.0004173900000000, -0.0005681300000000, -0.0018454200000000 ] - [ -0.0004126900000000, 0.0000021300000000, -0.0009993700000000 ] - [ 0.0769539500000000, 0.0489187000000000, 0.0271389700000000 ] - [ -0.0107439100000000, 0.0043455600000000, 0.0046041500000000 ] - [ 0.0079034000000000, 0.0009365900000000, -0.0102886900000000 ] - [ -0.0028453500000000, 0.0013796200000000, 0.0000865300000000 ] - [ 0.0003646600000000, -0.0002050900000000, -0.0010828100000000 ] - [ -0.0003425200000000, -0.0002283300000000, 0.0002763500000000 ] - [ 0.0019412300000000, -0.0012326200000000, -0.0059385300000000 ] - [ -0.0006440900000000, -0.0002602400000000, -0.0012342300000000 ] - [ 0.0021069400000000, -0.0041927100000000, 0.0042015300000000 ] - [ -0.0022951200000000, 0.0004903900000000, 0.0004508200000000 ] - [ 0.0010199500000000, -0.0013356200000000, -0.0006585700000000 ] - [ -0.0010987100000000, 0.0004380900000000, -0.0026026300000000 ] - [ 0.0004907900000000, -0.0003335100000000, 0.0001088200000000 ] - [ -0.0004743700000000, -0.0002477500000000, -0.0000549400000000 ] - [ 0.0009512400000000, -0.0009944200000000, -0.0016160300000000 ] - [ -0.0009641800000000, -0.0001672800000000, -0.0025127800000000 ] - [ -0.0002575200000000, -0.0010789600000000, 0.0013063100000000 ] - [ 0.0002396900000000, -0.0008119900000000, 0.0007161500000000 ] - [ -0.1406370600000000, -0.0697299900000000, -0.0629031100000000 ] - [ 0.0057936900000000, 0.0009938100000000, 0.0005082700000000 ] - [ -0.0033078300000000, -0.0011821200000000, 0.0029634400000000 ] - [ 0.0020612400000000, 0.0001973400000000, 0.0002796000000000 ] - [ -0.0015374000000000, -0.0022543000000000, 0.0086208500000000 ] - [ 0.0021225100000000, 0.0000300800000000, -0.0010073900000000 ] - [ -0.0104974000000000, 0.0001835600000000, 0.0017159800000000 ] - [ 0.0040908900000000, -0.0007326600000000, -0.0015612500000000 ] - [ 0.0125090800000000, -0.0027737400000000, -0.0037761800000000 ] - [ 0.0297494900000000, -0.0043334900000000, -0.0030800900000000 ] - [ 0.0001909600000000, -0.0005512600000000, 0.0000822500000000 ] - [ 0.0002713200000000, -0.0007803000000000, 0.0036211400000000 ] - [ 0.0011566200000000, -0.0010553900000000, -0.0020171000000000 ] - [ 0.0130200800000000, 0.0043923500000000, 0.0188852600000000 ] - [ -0.0011020200000000, 0.0143429400000000, -0.0100892000000000 ] - [ 0.0014792100000000, -0.0017951800000000, 0.0005738300000000 ] - [ -0.0010753700000000, 0.0021522000000000, 0.0019156500000000 ] - [ 0.0005313100000000, -0.0006415700000000, -0.0005449100000000 ] - [ -0.0002338000000000, 0.0007794300000000, 0.0009601300000000 ] - [ 0.0001639500000000, -0.0001051800000000, -0.0002984800000000 ] - [ -0.0000685400000000, 0.0010669500000000, 0.0009031200000000 ] - [ 0.0000626000000000, 0.0008271800000000, 0.0007248700000000 ] - [ 0.0006173000000000, 0.0001911900000000, 0.0008576300000000 ] - [ 0.0004317600000000, -0.0000630700000000, -0.0002562300000000 ] - [ 0.0005008500000000, -0.0001083400000000, 0.0001937500000000 ] - [ 0.0005033200000000, -0.0000517400000000, 0.0001810800000000 ] - [ -0.0010262300000000, 0.0002116800000000, 0.0007725400000000 ] - [ -0.0000960900000000, -0.0001557200000000, -0.0002441000000000 ] - [ 0.0012530500000000, -0.0004072400000000, 0.0061727400000000 ] - [ 0.0005928500000000, -0.0003498700000000, -0.0001891800000000 ] - [ -0.0002129900000000, -0.0007081000000000, 0.0013604000000000 ] - [ 0.0001017800000000, -0.0003476700000000, 0.0000447000000000 ] - [ -0.0009726200000000, -0.0002936200000000, 0.0005219400000000 ] - [ -0.0000360900000000, 0.0001372100000000, -0.0001203500000000 ] - [ -0.0022448200000000, -0.0006141200000000, 0.0025126100000000 ] - [ 0.0007014500000000, 0.0001517400000000, 0.0003784800000000 ] - [ 0.0003636500000000, -0.0049711600000000, 0.0039415300000000 ] - [ 0.0014188700000000, 0.0013496000000000, -0.0012517600000000 ] - [ -0.0002287800000000, -0.0006191300000000, 0.0010335800000000 ] - [ 0.0001426700000000, -0.0005000500000000, 0.0017494200000000 ] - [ 0.0011305700000000, -0.0003863300000000, -0.0003322900000000 ] - [ 0.0011367600000000, 0.0010959800000000, -0.0004129800000000 ] - [ 0.0007547900000000, 0.0003803300000000, 0.0003763700000000 ] - [ 0.0004181600000000, 0.0000903200000000, 0.0011377200000000 ] - [ -0.0005467300000000, 0.0011426500000000, -0.0009300700000000 ] - [ 0.0006905700000000, 0.0010994500000000, 0.0003991000000000 ] - [ 0.0006922200000000, 0.0008239000000000, -0.0012535400000000 ] - [ 0.0011152400000000, -0.0004061500000000, 0.0000896000000000 ] - [ -0.0030534400000000, 0.0009485600000000, 0.0002057600000000 ] - [ 0.0013604100000000, -0.0000982700000000, -0.0009233800000000 ] - [ -0.0017049400000000, 0.0006019300000000, 0.0001938200000000 ] - [ 0.0005302900000000, -0.0000741500000000, 0.0013017300000000 ] - [ -0.0025461200000000, 0.0003823000000000, -0.0011300900000000 ] - [ 0.0007890900000000, 0.0001943800000000, -0.0002305800000000 ] - [ 0.0009785200000000, 0.0073269300000000, -0.0015515300000000 ] - [ 0.0010532100000000, -0.0018070800000000, 0.0001993800000000 ] - [ -0.0006564200000000, 0.0021008900000000, -0.0020913500000000 ] - [ 0.0002968100000000, -0.0004652100000000, 0.0006497700000000 ] - [ -0.0003805300000000, 0.0007990000000000, -0.0011211900000000 ] - [ 0.0004444100000000, -0.0004953300000000, 0.0004796900000000 ] - [ -0.0000996100000000, 0.0009303500000000, 0.0008284900000000 ] - [ 0.0000984600000000, 0.0008568000000000, 0.0006510200000000 ] - [ -0.0000494500000000, -0.0002115500000000, -0.0000481100000000 ] - [ 0.0008796500000000, 0.0000550600000000, -0.0000016700000000 ] - [ 0.0000537400000000, 0.0001807200000000, -0.0000677800000000 ] - [ 0.0007202700000000, -0.0000761400000000, 0.0001242700000000 ] - [ -0.0001969400000000, -0.0001890500000000, 0.0001676900000000 ] - [ -0.0006571200000000, 0.0000540000000000, -0.0002524300000000 ] - [ -0.0007041000000000, 0.0001049200000000, 0.0010532200000000 ] - [ 0.0009968400000000, -0.0000699300000000, 0.0006545100000000 ] - [ -0.0001685100000000, -0.0002183700000000, 0.0001665900000000 ] - [ 0.0001709900000000, -0.0003073700000000, 0.0005068500000000 ] - [ -0.0002685400000000, 0.0000929900000000, -0.0000233000000000 ] - [ -0.0005111200000000, 0.0000101000000000, 0.0000901000000000 ] - [ 0.0002686900000000, 0.0000169800000000, 0.0013241100000000 ] - [ -0.0005611000000000, -0.0000037900000000, 0.0003986800000000 ] - [ -0.0012574100000000, 0.0012225300000000, -0.0007709900000000 ] - [ 0.0012419500000000, 0.0013738200000000, 0.0007346600000000 ]- atom: 59 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0006315500000000, -0.0003624400000000, -0.0002077500000000 ] - [ 0.0007129200000000, -0.0002434700000000, 0.0001118200000000 ] - [ -0.0002864600000000, 0.0000443200000000, 0.0017045300000000 ] - [ 0.0002688400000000, 0.0001721300000000, 0.0004261900000000 ] - [ -0.0001520000000000, -0.0003429600000000, 0.0010621100000000 ] - [ 0.0001558700000000, -0.0001820900000000, 0.0009916300000000 ] - [ -0.0008853500000000, 0.0012972000000000, -0.0002910200000000 ] - [ 0.0010026900000000, 0.0013178000000000, 0.0004696800000000 ] - [ -0.0084998400000000, 0.0005464200000000, -0.0002554800000000 ] - [ 0.0024788400000000, 0.0013293600000000, -0.0000735200000000 ] - [ -0.0012832100000000, -0.0006773700000000, -0.0001977400000000 ] - [ 0.0018986500000000, 0.0000208800000000, 0.0018964800000000 ] - [ -0.0037112500000000, -0.0008311500000000, -0.0062910600000000 ] - [ 0.0028723300000000, -0.0007352600000000, -0.0002164200000000 ] - [ -0.0105086000000000, -0.0053451300000000, -0.0059778400000000 ] - [ 0.0039934100000000, -0.0009333300000000, -0.0041811200000000 ] - [ -0.0026984500000000, 0.0013608800000000, -0.0062642100000000 ] - [ 0.0040118700000000, -0.0019599300000000, 0.0018790500000000 ] - [ -0.0006598100000000, -0.0004989500000000, -0.0010020000000000 ] - [ 0.0006882900000000, -0.0002585000000000, 0.0000036500000000 ] - [ -0.0002015200000000, 0.0001878400000000, 0.0000729900000000 ] - [ 0.0002006800000000, -0.0001799500000000, -0.0003360100000000 ] - [ -0.0001811700000000, 0.0004048100000000, 0.0002992400000000 ] - [ 0.0001891900000000, 0.0002989400000000, 0.0009236100000000 ] - [ -0.0002663900000000, -0.0001193400000000, 0.0010295400000000 ] - [ 0.0002703200000000, -0.0001311400000000, 0.0008951700000000 ] - [ -0.0004017200000000, 0.0001044700000000, 0.0012897700000000 ] - [ 0.0003624100000000, 0.0012136800000000, -0.0007025600000000 ] - [ -0.0008607600000000, -0.0066968000000000, -0.0017843200000000 ] - [ 0.0042801400000000, 0.0023248300000000, -0.0005471600000000 ] - [ -0.0010482600000000, -0.0020672400000000, 0.0005643500000000 ] - [ 0.0010911700000000, -0.0006411600000000, -0.0004604000000000 ] - [ -0.0006645100000000, 0.0015340200000000, -0.0000119300000000 ] - [ 0.0005894300000000, -0.0001816700000000, -0.0016986800000000 ] - [ -0.0011972000000000, 0.0020632100000000, -0.0015833700000000 ] - [ 0.0012022100000000, -0.0002541000000000, 0.0001184600000000 ] - [ -0.0016988000000000, 0.0026845500000000, 0.0000521000000000 ] - [ 0.0012741100000000, -0.0000352700000000, -0.0008071000000000 ] - [ -0.0004184600000000, 0.0005406600000000, 0.0000497500000000 ] - [ 0.0004135900000000, -0.0000277400000000, -0.0007906800000000 ] - [ -0.0794772900000000, -0.0513531300000000, -0.0282312600000000 ] - [ 0.0107103700000000, -0.0036605800000000, -0.0032681700000000 ] - [ -0.0079491700000000, -0.0000410700000000, 0.0066567600000000 ] - [ 0.0028447700000000, -0.0004412900000000, -0.0036795000000000 ] - [ -0.0003616000000000, -0.0004446000000000, 0.0023842000000000 ] - [ 0.0003396700000000, -0.0004227400000000, 0.0010248500000000 ] - [ -0.0019283400000000, 0.0003002600000000, 0.0023143000000000 ] - [ 0.0006336300000000, -0.0006772900000000, -0.0023781700000000 ] - [ -0.0020874700000000, 0.0048566600000000, -0.0029008900000000 ] - [ 0.0022762400000000, 0.0001596400000000, 0.0008534700000000 ] - [ -0.0010078000000000, 0.0022679900000000, -0.0029591400000000 ] - [ 0.0010897400000000, 0.0004982200000000, -0.0010083100000000 ] - [ -0.0004915000000000, -0.0003159500000000, 0.0011956700000000 ] - [ 0.0004752300000000, -0.0004012300000000, 0.0013551400000000 ] - [ -0.0009514400000000, 0.0000470300000000, -0.0019862200000000 ] - [ 0.0009646000000000, -0.0007662500000000, -0.0010975600000000 ] - [ 0.0002575500000000, -0.0005274200000000, -0.0000265900000000 ] - [ -0.0002397900000000, -0.0007939000000000, 0.0005600100000000 ] - [ 0.1438883000000000, 0.0722309900000000, 0.0642726400000000 ] - [ -0.0051530900000000, -0.0011487900000000, -0.0009859400000000 ] - [ 0.0040287900000000, 0.0012470900000000, -0.0013452900000000 ] - [ -0.0013266400000000, -0.0001286500000000, 0.0013207600000000 ] - [ 0.0016010100000000, 0.0029703100000000, -0.0083224800000000 ] - [ -0.0021227700000000, 0.0006519800000000, 0.0012489900000000 ] - [ 0.0115410300000000, -0.0000894400000000, -0.0022545700000000 ] - [ -0.0030856600000000, 0.0007750400000000, 0.0009511900000000 ] - [ -0.0130329200000000, 0.0026086800000000, 0.0032925200000000 ] - [ -0.0309212000000000, 0.0042637000000000, 0.0026831000000000 ] - [ -0.0009246700000000, 0.0006181000000000, 0.0015211500000000 ] - [ -0.0009810800000000, 0.0008487700000000, -0.0019998900000000 ] - [ -0.0021662800000000, 0.0010932600000000, 0.0014029000000000 ] - [ -0.0141843600000000, -0.0043534300000000, -0.0195873400000000 ] - [ 0.0011930000000000, -0.0159382300000000, 0.0109871400000000 ] - [ -0.0014792300000000, 0.0002502700000000, 0.0002156600000000 ] - [ 0.0010821300000000, -0.0021536100000000, -0.0019949100000000 ] - [ -0.0005318800000000, 0.0006145500000000, 0.0004482900000000 ] - [ 0.0002305900000000, -0.0007557600000000, -0.0010446700000000 ] - [ -0.0001617000000000, 0.0001258200000000, 0.0002088400000000 ] - [ 0.0000681400000000, 0.0004660100000000, -0.0001208400000000 ] - [ -0.0000621700000000, 0.0007088500000000, 0.0000590700000000 ] - [ 0.0003833500000000, -0.0002374200000000, -0.0014541300000000 ] - [ 0.0005727500000000, 0.0000188700000000, -0.0003439800000000 ] - [ 0.0001359100000000, 0.0002674000000000, -0.0006717900000000 ] - [ 0.0001384600000000, 0.0002085300000000, -0.0006566900000000 ] - [ 0.0000221600000000, -0.0002573600000000, -0.0013724900000000 ] - [ -0.0009050600000000, 0.0001098800000000, -0.0003583300000000 ] - [ -0.0005165600000000, 0.0003338600000000, -0.0045447900000000 ] - [ 0.0001462300000000, 0.0002770700000000, 0.0017943600000000 ] - [ 0.0002113100000000, 0.0000251900000000, -0.0011081000000000 ] - [ -0.0001011600000000, -0.0003332300000000, 0.0002038400000000 ] - [ 0.0003321000000000, 0.0004509000000000, -0.0009948500000000 ] - [ -0.0006028400000000, 0.0000204200000000, -0.0003536800000000 ] - [ 0.0014989500000000, 0.0005397700000000, -0.0009061700000000 ] - [ -0.0014274100000000, -0.0002184100000000, 0.0012414500000000 ] - [ -0.0003869200000000, 0.0065696800000000, -0.0026646700000000 ] - [ -0.0014122600000000, 0.0002499800000000, 0.0025402500000000 ] - [ 0.0002272000000000, -0.0009852800000000, 0.0002446500000000 ] - [ -0.0001409400000000, -0.0011084200000000, -0.0004738200000000 ] - [ -0.0004949000000000, 0.0002235400000000, -0.0001462500000000 ] - [ -0.0004867400000000, -0.0012580100000000, -0.0000613100000000 ] - [ -0.0000285500000000, -0.0003125300000000, 0.0012321600000000 ] - [ 0.0003136700000000, -0.0000223900000000, 0.0004704500000000 ] - [ 0.0005417000000000, -0.0004613700000000, 0.0011795800000000 ] - [ -0.0006877700000000, -0.0004244800000000, -0.0001524100000000 ] - [ 0.0003041600000000, -0.0007740900000000, 0.0006540600000000 ] - [ -0.0000968300000000, 0.0004459100000000, -0.0006822800000000 ] - [ 0.0024067500000000, -0.0011108400000000, -0.0006792500000000 ] - [ -0.0019976500000000, -0.0000640400000000, 0.0004495900000000 ] - [ 0.0009715100000000, -0.0005333400000000, 0.0014169600000000 ] - [ -0.0012569000000000, 0.0001411900000000, 0.0003102200000000 ] - [ 0.0015284800000000, -0.0003476800000000, 0.0005360600000000 ] - [ -0.0017866200000000, -0.0001460000000000, -0.0003731300000000 ] - [ -0.0009986900000000, -0.0088593100000000, 0.0023350200000000 ] - [ -0.0010452500000000, 0.0002826900000000, 0.0005809800000000 ] - [ 0.0006516600000000, -0.0021073900000000, 0.0019941600000000 ] - [ -0.0002936800000000, 0.0004526700000000, -0.0007435400000000 ] - [ 0.0003772100000000, -0.0007621800000000, 0.0010107200000000 ] - [ -0.0004448600000000, 0.0005106500000000, -0.0005663900000000 ] - [ 0.0001000300000000, 0.0006051400000000, -0.0000442000000000 ] - [ -0.0000985300000000, 0.0006772800000000, 0.0001316200000000 ] - [ 0.0010521800000000, 0.0001673400000000, -0.0005545600000000 ] - [ 0.0001242800000000, -0.0001003300000000, -0.0005981900000000 ] - [ 0.0005869500000000, -0.0000228600000000, -0.0004086500000000 ] - [ -0.0000784700000000, 0.0002333000000000, -0.0006006400000000 ] - [ -0.0008063300000000, 0.0001439600000000, -0.0007702900000000 ] - [ -0.0003453800000000, -0.0000991600000000, -0.0003522300000000 ] - [ 0.0014306700000000, -0.0001720400000000, 0.0005542400000000 ] - [ -0.0002674200000000, 0.0000021100000000, 0.0009544600000000 ] - [ 0.0001684200000000, -0.0004626500000000, 0.0000786100000000 ] - [ -0.0001705400000000, -0.0003727800000000, -0.0002578000000000 ] - [ -0.0003730100000000, 0.0000642800000000, -0.0004492100000000 ] - [ -0.0001291100000000, 0.0001467200000000, -0.0005631600000000 ] - [ -0.0009992700000000, -0.0000840700000000, 0.0002874500000000 ] - [ -0.0001651500000000, -0.0000638000000000, 0.0012121600000000 ] - [ 0.0012614700000000, 0.0003650100000000, 0.0020248400000000 ] - [ -0.0012411500000000, 0.0002372900000000, 0.0005444500000000 ]- atom: 59 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002359700000000, 0.0000138200000000, -0.0005898300000000 ] - [ -0.0002650900000000, -0.0000493800000000, -0.0006362400000000 ] - [ 0.0001252500000000, 0.0003447700000000, -0.0008304200000000 ] - [ -0.0001197800000000, 0.0001996400000000, 0.0000493500000000 ] - [ 0.0000712800000000, -0.0000375100000000, 0.0002707000000000 ] - [ -0.0000728700000000, -0.0000995700000000, 0.0002453700000000 ] - [ 0.0003888700000000, 0.0010762000000000, -0.0013684000000000 ] - [ -0.0003876700000000, 0.0008770000000000, -0.0004619500000000 ] - [ 0.0027502100000000, 0.0020416800000000, 0.0016156300000000 ] - [ -0.0012483100000000, 0.0002911500000000, 0.0009397500000000 ] - [ 0.0014808100000000, -0.0018626000000000, -0.0012510400000000 ] - [ -0.0014692600000000, -0.0019959100000000, -0.0016812900000000 ] - [ 0.0002384400000000, 0.0029864300000000, 0.0034449500000000 ] - [ -0.0008823900000000, 0.0006591000000000, -0.0007401400000000 ] - [ 0.0007223000000000, 0.0049074800000000, -0.0007208900000000 ] - [ -0.0005798200000000, 0.0009596800000000, 0.0014270100000000 ] - [ -0.0010285700000000, 0.0043850700000000, 0.0031811500000000 ] - [ -0.0011291300000000, 0.0023194500000000, -0.0006382900000000 ] - [ 0.0004132900000000, 0.0004640600000000, -0.0009719800000000 ] - [ -0.0003956700000000, 0.0003867700000000, -0.0014102000000000 ] - [ 0.0000246200000000, -0.0003778800000000, -0.0007412900000000 ] - [ -0.0000236400000000, -0.0002002500000000, -0.0006040200000000 ] - [ 0.0001180400000000, -0.0000573600000000, 0.0003249600000000 ] - [ -0.0001198000000000, -0.0000305300000000, 0.0000715300000000 ] - [ 0.0001046200000000, -0.0001574500000000, 0.0002520600000000 ] - [ -0.0001097000000000, -0.0001587200000000, 0.0003949400000000 ] - [ 0.0001196900000000, 0.0011037100000000, 0.0001369200000000 ] - [ -0.0000924200000000, 0.0007814100000000, 0.0002624900000000 ] - [ 0.0054375100000000, -0.0042195500000000, 0.0014921100000000 ] - [ -0.0030664600000000, -0.0011558900000000, 0.0017164600000000 ] - [ 0.0004704500000000, -0.0003339600000000, 0.0008467000000000 ] - [ -0.0004868500000000, -0.0008289500000000, 0.0002901100000000 ] - [ -0.0004233600000000, -0.0013447000000000, -0.0023180800000000 ] - [ 0.0004019200000000, -0.0002572200000000, -0.0011981800000000 ] - [ 0.0002655100000000, -0.0045998600000000, 0.0019030200000000 ] - [ -0.0002873000000000, -0.0007644100000000, 0.0003091900000000 ] - [ 0.0004785000000000, -0.0043800400000000, -0.0001819000000000 ] - [ -0.0004286700000000, -0.0004247900000000, -0.0001179800000000 ] - [ 0.0001806400000000, -0.0006990100000000, -0.0016690800000000 ] - [ -0.0001782900000000, -0.0002269300000000, -0.0009462000000000 ] - [ 0.0446932800000000, 0.0618656400000000, 0.0181873500000000 ] - [ -0.0023153000000000, 0.0024449500000000, 0.0020896900000000 ] - [ 0.0011546500000000, 0.0089741500000000, -0.0100968500000000 ] - [ -0.0009863000000000, 0.0014058200000000, -0.0016575800000000 ] - [ 0.0001307600000000, -0.0001174700000000, -0.0003559400000000 ] - [ -0.0001112900000000, -0.0001578100000000, 0.0001466200000000 ] - [ 0.0004796800000000, -0.0003638900000000, -0.0038247800000000 ] - [ -0.0000025000000000, 0.0000108300000000, -0.0018680800000000 ] - [ -0.0016749800000000, -0.0078574200000000, 0.0040014800000000 ] - [ 0.0015018200000000, -0.0017100200000000, 0.0011487100000000 ] - [ -0.0004631600000000, -0.0011906600000000, 0.0003845300000000 ] - [ 0.0004896600000000, -0.0003606200000000, -0.0006440600000000 ] - [ 0.0001444600000000, -0.0004522300000000, 0.0000430900000000 ] - [ -0.0001499600000000, -0.0003514800000000, 0.0002390800000000 ] - [ 0.0002180200000000, -0.0011616100000000, -0.0021661400000000 ] - [ -0.0002315000000000, -0.0007021400000000, -0.0022746600000000 ] - [ -0.0001048100000000, -0.0012029000000000, 0.0008319200000000 ] - [ 0.0001019500000000, -0.0009199000000000, 0.0006394500000000 ] - [ -0.0694064400000000, -0.0877953000000000, -0.0414542000000000 ] - [ 0.0013902200000000, -0.0003166400000000, -0.0003210200000000 ] - [ -0.0019133100000000, -0.0013448600000000, 0.0027015200000000 ] - [ 0.0010494500000000, -0.0001050900000000, 0.0007480400000000 ] - [ -0.0037829400000000, -0.0074500300000000, -0.0038945000000000 ] - [ 0.0009580800000000, -0.0003557200000000, -0.0002443200000000 ] - [ -0.0013818800000000, 0.0050963900000000, 0.0158958600000000 ] - [ 0.0020067900000000, -0.0004789000000000, -0.0006935000000000 ] - [ 0.0023514400000000, -0.0024520100000000, -0.0018160300000000 ] - [ 0.0040408200000000, -0.0132434300000000, -0.0059297600000000 ] - [ -0.0000112500000000, -0.0005134600000000, 0.0006008700000000 ] - [ 0.0011653500000000, -0.0014377600000000, 0.0028796200000000 ] - [ -0.0009786100000000, -0.0009391500000000, -0.0003672800000000 ] - [ 0.0100074800000000, 0.0064807000000000, 0.0170293900000000 ] - [ 0.0089972100000000, 0.0147491200000000, -0.0050739900000000 ] - [ 0.0001204200000000, -0.0011282700000000, 0.0003411800000000 ] - [ -0.0001719000000000, 0.0010382500000000, 0.0029232000000000 ] - [ 0.0001979300000000, -0.0000908600000000, -0.0001323100000000 ] - [ 0.0000737700000000, 0.0000156600000000, 0.0006452100000000 ] - [ -0.0000778100000000, -0.0003209300000000, 0.0001825300000000 ] - [ -0.0000242600000000, 0.0009047400000000, 0.0007282200000000 ] - [ 0.0000203200000000, 0.0008246100000000, 0.0006791300000000 ] - [ 0.0005635500000000, 0.0000164500000000, 0.0003410700000000 ] - [ 0.0003146400000000, -0.0001597600000000, -0.0000383200000000 ] - [ 0.0004499500000000, -0.0000762300000000, 0.0000480900000000 ] - [ 0.0005090500000000, -0.0000772700000000, 0.0001398500000000 ] - [ -0.0005424100000000, -0.0000508400000000, 0.0003641400000000 ] - [ -0.0003591800000000, -0.0001220200000000, -0.0001260100000000 ] - [ 0.0008108000000000, -0.0002777700000000, 0.0031700200000000 ] - [ 0.0004007900000000, -0.0005627200000000, 0.0004465900000000 ] - [ -0.0000664400000000, -0.0007484900000000, 0.0007394900000000 ] - [ 0.0000154400000000, -0.0004521200000000, 0.0002453800000000 ] - [ -0.0006924300000000, -0.0001675600000000, 0.0002622600000000 ] - [ -0.0002631100000000, 0.0000226700000000, -0.0000733300000000 ] - [ -0.0008803600000000, -0.0007745500000000, 0.0017387400000000 ] - [ -0.0001099100000000, -0.0001475700000000, 0.0005346300000000 ] - [ -0.0018477000000000, -0.0013010100000000, -0.0017043300000000 ] - [ 0.0007614000000000, 0.0006321400000000, -0.0004716900000000 ] - [ -0.0001499600000000, -0.0004965100000000, 0.0012226900000000 ] - [ 0.0000880200000000, -0.0004239500000000, 0.0015807200000000 ] - [ 0.0015071100000000, 0.0027220500000000, 0.0002702800000000 ] - [ 0.0000054800000000, 0.0027210600000000, -0.0003881400000000 ] - [ 0.0009452400000000, 0.0004477200000000, 0.0002278200000000 ] - [ 0.0006555400000000, 0.0004242100000000, 0.0005190600000000 ] - [ -0.0001149400000000, 0.0024093300000000, -0.0006991300000000 ] - [ 0.0002463000000000, 0.0017710500000000, -0.0001520200000000 ] - [ 0.0011932900000000, 0.0005625700000000, -0.0013242300000000 ] - [ -0.0017489200000000, 0.0013353500000000, -0.0025962100000000 ] - [ -0.0013465700000000, 0.0030698600000000, 0.0001750400000000 ] - [ -0.0003099100000000, 0.0006957800000000, -0.0003232300000000 ] - [ -0.0011859500000000, 0.0006515200000000, 0.0000976600000000 ] - [ -0.0004722100000000, 0.0002570300000000, 0.0006169200000000 ] - [ 0.0003909600000000, 0.0020462200000000, -0.0027184200000000 ] - [ -0.0004514800000000, 0.0001466200000000, -0.0007104800000000 ] - [ 0.0046851200000000, 0.0086532700000000, -0.0010093500000000 ] - [ -0.0011936100000000, -0.0005594400000000, 0.0000959900000000 ] - [ -0.0001551300000000, 0.0004590000000000, -0.0011373700000000 ] - [ 0.0000280500000000, -0.0005033400000000, -0.0001740600000000 ] - [ -0.0000743600000000, 0.0005675400000000, -0.0005099500000000 ] - [ 0.0000675500000000, 0.0000221200000000, -0.0000002000000000 ] - [ -0.0000385200000000, 0.0009562300000000, 0.0007821900000000 ] - [ 0.0000374400000000, 0.0008501200000000, 0.0005620600000000 ] - [ 0.0004462200000000, 0.0000279300000000, -0.0000933000000000 ] - [ 0.0006411800000000, 0.0000529900000000, -0.0000976300000000 ] - [ 0.0002199700000000, 0.0001330000000000, -0.0000402400000000 ] - [ 0.0004756000000000, 0.0000441500000000, -0.0000310200000000 ] - [ -0.0004854600000000, 0.0000003400000000, -0.0000858700000000 ] - [ -0.0005899700000000, 0.0000729700000000, -0.0000892200000000 ] - [ -0.0000482100000000, 0.0004856400000000, 0.0011528000000000 ] - [ 0.0003978500000000, 0.0001628400000000, 0.0009962800000000 ] - [ -0.0000523400000000, -0.0000683600000000, 0.0003840300000000 ] - [ 0.0000530600000000, -0.0002619600000000, 0.0003430400000000 ] - [ -0.0003069200000000, 0.0001041500000000, -0.0000967400000000 ] - [ -0.0003895400000000, 0.0000744900000000, 0.0000317500000000 ] - [ -0.0000241300000000, 0.0003123200000000, 0.0011817500000000 ] - [ -0.0003326700000000, 0.0003489300000000, 0.0009807400000000 ] - [ -0.0009541000000000, 0.0040790000000000, 0.0042640600000000 ] - [ 0.0005386300000000, 0.0010675500000000, 0.0008266800000000 ]- atom: 59 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002374600000000, -0.0003083900000000, -0.0002195400000000 ] - [ 0.0002674500000000, -0.0002465400000000, -0.0001758800000000 ] - [ -0.0001253300000000, -0.0000200600000000, 0.0014246000000000 ] - [ 0.0001203800000000, 0.0001254900000000, 0.0005466200000000 ] - [ -0.0000710300000000, -0.0002611700000000, 0.0009156000000000 ] - [ 0.0000707400000000, -0.0001979100000000, 0.0009388900000000 ] - [ -0.0003915500000000, 0.0008623500000000, 0.0012073000000000 ] - [ 0.0003902100000000, 0.0010598500000000, 0.0003105100000000 ] - [ -0.0029698500000000, -0.0013381700000000, -0.0004612400000000 ] - [ 0.0012485800000000, 0.0000192300000000, 0.0002419200000000 ] - [ -0.0014819800000000, -0.0000769100000000, 0.0010995300000000 ] - [ 0.0014706400000000, 0.0000549600000000, 0.0015315100000000 ] - [ -0.0002635600000000, -0.0029889300000000, -0.0051872800000000 ] - [ 0.0008895600000000, -0.0006357500000000, -0.0010491600000000 ] - [ -0.0007315100000000, -0.0052471800000000, 0.0013053500000000 ] - [ 0.0005750200000000, -0.0012712900000000, -0.0008223100000000 ] - [ 0.0010554600000000, -0.0040386300000000, -0.0040385400000000 ] - [ 0.0011249000000000, -0.0020114200000000, -0.0001819600000000 ] - [ -0.0004119200000000, -0.0004865600000000, -0.0008206500000000 ] - [ 0.0003941400000000, -0.0004091600000000, -0.0003820700000000 ] - [ -0.0000267700000000, 0.0000847700000000, -0.0000718400000000 ] - [ 0.0000223100000000, -0.0000958700000000, -0.0002106000000000 ] - [ -0.0001173600000000, 0.0003830000000000, 0.0002747300000000 ] - [ 0.0001191300000000, 0.0003546300000000, 0.0005274400000000 ] - [ -0.0001063100000000, -0.0001393700000000, 0.0009342700000000 ] - [ 0.0001090700000000, -0.0001379400000000, 0.0007900900000000 ] - [ -0.0001201600000000, 0.0008238900000000, -0.0002798300000000 ] - [ 0.0000918000000000, 0.0011504500000000, -0.0004127200000000 ] - [ -0.0054284000000000, 0.0044424000000000, -0.0003233500000000 ] - [ 0.0030798000000000, 0.0014390600000000, -0.0005320800000000 ] - [ -0.0004714900000000, -0.0015867700000000, -0.0009901200000000 ] - [ 0.0004875800000000, -0.0010998800000000, -0.0004399700000000 ] - [ 0.0004169300000000, 0.0013685400000000, 0.0005106200000000 ] - [ -0.0003959900000000, 0.0002806200000000, -0.0006067900000000 ] - [ -0.0002686400000000, 0.0042697700000000, -0.0013298400000000 ] - [ 0.0002890900000000, 0.0004348600000000, 0.0002781800000000 ] - [ -0.0004800600000000, 0.0046648100000000, -0.0006150600000000 ] - [ 0.0004292500000000, 0.0007109000000000, -0.0006919200000000 ] - [ -0.0001815500000000, 0.0006718700000000, -0.0001206200000000 ] - [ 0.0001788300000000, 0.0001984900000000, -0.0008430400000000 ] - [ -0.0469483600000000, -0.0619447200000000, -0.0181096200000000 ] - [ 0.0023340900000000, -0.0018121900000000, -0.0007956200000000 ] - [ -0.0011576800000000, -0.0080825000000000, 0.0064647100000000 ] - [ 0.0009877300000000, -0.0004749800000000, -0.0019658600000000 ] - [ -0.0001307900000000, -0.0005336000000000, 0.0016678500000000 ] - [ 0.0001109900000000, -0.0004933700000000, 0.0011601300000000 ] - [ -0.0004833300000000, -0.0005613500000000, 0.0002232700000000 ] - [ 0.0000006200000000, -0.0009419600000000, -0.0017428900000000 ] - [ 0.0016417200000000, 0.0084782900000000, -0.0026752900000000 ] - [ -0.0014603400000000, 0.0023514900000000, 0.0001666200000000 ] - [ 0.0004532400000000, 0.0021328400000000, -0.0039767000000000 ] - [ -0.0004776700000000, 0.0012971100000000, -0.0029494100000000 ] - [ -0.0001458100000000, -0.0001997100000000, 0.0012642500000000 ] - [ 0.0001517300000000, -0.0002990900000000, 0.0010668000000000 ] - [ -0.0002200600000000, 0.0002104900000000, -0.0014502800000000 ] - [ 0.0002341300000000, -0.0002365000000000, -0.0013397100000000 ] - [ 0.0001049200000000, -0.0004050500000000, 0.0004427900000000 ] - [ -0.0001024900000000, -0.0006881100000000, 0.0006351700000000 ] - [ 0.0725295900000000, 0.0882286600000000, 0.0423071300000000 ] - [ -0.0007561600000000, 0.0001530800000000, -0.0001575900000000 ] - [ 0.0026391600000000, 0.0014115000000000, -0.0010875700000000 ] - [ -0.0003203800000000, 0.0001723400000000, 0.0008596800000000 ] - [ 0.0038199500000000, 0.0081149600000000, 0.0042083600000000 ] - [ -0.0009616300000000, 0.0010323200000000, 0.0004992500000000 ] - [ 0.0024165700000000, -0.0050449700000000, -0.0166000100000000 ] - [ -0.0010134800000000, 0.0005319100000000, 0.0001002500000000 ] - [ -0.0030264200000000, 0.0022949800000000, 0.0013547300000000 ] - [ -0.0045512600000000, 0.0131135500000000, 0.0055079000000000 ] - [ -0.0007189200000000, 0.0005804800000000, 0.0010095800000000 ] - [ -0.0018930100000000, 0.0015068600000000, -0.0012590000000000 ] - [ -0.0000207900000000, 0.0009927100000000, -0.0002276300000000 ] - [ -0.0110273600000000, -0.0065477100000000, -0.0177102500000000 ] - [ -0.0091580300000000, -0.0164608300000000, 0.0058937700000000 ] - [ -0.0001229300000000, -0.0003939600000000, 0.0004385000000000 ] - [ 0.0001773800000000, -0.0010444500000000, -0.0030186300000000 ] - [ -0.0001988100000000, 0.0000764300000000, 0.0000418500000000 ] - [ -0.0000730500000000, -0.0000053500000000, -0.0007340900000000 ] - [ 0.0000768900000000, 0.0003348400000000, -0.0002699700000000 ] - [ 0.0000242500000000, 0.0006267700000000, 0.0000531500000000 ] - [ -0.0000205100000000, 0.0007110300000000, 0.0001050100000000 ] - [ 0.0004348400000000, -0.0000657400000000, -0.0009427300000000 ] - [ 0.0006848900000000, 0.0001123600000000, -0.0005615200000000 ] - [ 0.0001862300000000, 0.0002354700000000, -0.0005267900000000 ] - [ 0.0001306000000000, 0.0002345200000000, -0.0006162600000000 ] - [ -0.0004547200000000, 0.0000010500000000, -0.0009681600000000 ] - [ -0.0006417700000000, 0.0000743700000000, -0.0004773700000000 ] - [ -0.0000821600000000, 0.0002116200000000, -0.0015795400000000 ] - [ 0.0003329100000000, 0.0004906600000000, 0.0011552200000000 ] - [ 0.0000667300000000, 0.0000699400000000, -0.0004933300000000 ] - [ -0.0000160400000000, -0.0002268200000000, 0.0000023700000000 ] - [ 0.0000551700000000, 0.0003261000000000, -0.0007372000000000 ] - [ -0.0003767100000000, 0.0001343300000000, -0.0004002600000000 ] - [ 0.0001497600000000, 0.0007028300000000, -0.0001406100000000 ] - [ -0.0006216800000000, 0.0000800000000000, 0.0010735600000000 ] - [ 0.0018334300000000, 0.0029341600000000, 0.0029715500000000 ] - [ -0.0007603700000000, 0.0009828100000000, 0.0017521600000000 ] - [ 0.0001495400000000, -0.0011065000000000, 0.0000525400000000 ] - [ -0.0000877500000000, -0.0011853000000000, -0.0003052200000000 ] - [ -0.0008528400000000, -0.0028675100000000, -0.0007392000000000 ] - [ 0.0006133800000000, -0.0028675900000000, -0.0000897400000000 ] - [ -0.0002108500000000, -0.0003795200000000, 0.0013726700000000 ] - [ 0.0000746900000000, -0.0003570800000000, 0.0010827500000000 ] - [ 0.0001181300000000, -0.0017235800000000, 0.0009391800000000 ] - [ -0.0002504300000000, -0.0010910600000000, 0.0003938100000000 ] - [ -0.0001847900000000, -0.0005190400000000, 0.0007160200000000 ] - [ 0.0027228000000000, -0.0012796100000000, 0.0019661700000000 ] - [ 0.0007165200000000, -0.0032178900000000, -0.0006477900000000 ] - [ -0.0003399600000000, -0.0008465100000000, -0.0001446800000000 ] - [ 0.0004544800000000, -0.0005847900000000, 0.0015054900000000 ] - [ -0.0002635700000000, -0.0001886700000000, 0.0009873200000000 ] - [ -0.0013741400000000, -0.0019918400000000, 0.0020933800000000 ] - [ -0.0005564200000000, -0.0001025100000000, 0.0001013400000000 ] - [ -0.0046289100000000, -0.0101359900000000, 0.0018049300000000 ] - [ 0.0011732400000000, -0.0009791400000000, 0.0006922100000000 ] - [ 0.0001573900000000, -0.0004937600000000, 0.0010475400000000 ] - [ -0.0000291800000000, 0.0004777100000000, 0.0000796100000000 ] - [ 0.0000735700000000, -0.0005310700000000, 0.0004027800000000 ] - [ -0.0000692400000000, -0.0000006700000000, -0.0000924600000000 ] - [ 0.0000390300000000, 0.0005796500000000, 0.0000013900000000 ] - [ -0.0000377800000000, 0.0006839000000000, 0.0002201200000000 ] - [ 0.0005563900000000, -0.0000718200000000, -0.0005072900000000 ] - [ 0.0003586300000000, -0.0000992600000000, -0.0005023600000000 ] - [ 0.0004196200000000, 0.0000247100000000, -0.0004367500000000 ] - [ 0.0001624100000000, 0.0001142000000000, -0.0004464900000000 ] - [ -0.0005157100000000, -0.0000458000000000, -0.0005174700000000 ] - [ -0.0004109200000000, -0.0001183000000000, -0.0005132400000000 ] - [ 0.0007778900000000, -0.0005474300000000, 0.0004599600000000 ] - [ 0.0003278700000000, -0.0002271800000000, 0.0006147900000000 ] - [ 0.0000526600000000, -0.0006089700000000, -0.0001355500000000 ] - [ -0.0000531500000000, -0.0004161000000000, -0.0000950200000000 ] - [ -0.0003319600000000, 0.0000538100000000, -0.0003770700000000 ] - [ -0.0002490500000000, 0.0000826700000000, -0.0005051400000000 ] - [ -0.0007053700000000, -0.0003756600000000, 0.0004305000000000 ] - [ -0.0003946000000000, -0.0004114900000000, 0.0006364500000000 ] - [ 0.0009544100000000, -0.0024636500000000, -0.0029423000000000 ] - [ -0.0005408300000000, 0.0005367100000000, 0.0004543100000000 ]- atom: 59 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0005411300000000, -0.0001892300000000, -0.0016027200000000 ] - [ -0.0006147000000000, 0.0000180700000000, -0.0013335300000000 ] - [ 0.0000822300000000, 0.0001977100000000, -0.0023027700000000 ] - [ -0.0000365600000000, 0.0000700000000000, -0.0009667000000000 ] - [ 0.0000426300000000, 0.0001092500000000, -0.0006591800000000 ] - [ -0.0000507400000000, -0.0000803200000000, -0.0003706800000000 ] - [ 0.0007951800000000, 0.0003641800000000, -0.0010494900000000 ] - [ -0.0008817800000000, 0.0003880800000000, -0.0006414200000000 ] - [ 0.0025927000000000, -0.0004768400000000, 0.0070946700000000 ] - [ -0.0007073100000000, -0.0000321000000000, 0.0024105900000000 ] - [ 0.0017531800000000, -0.0022683900000000, -0.0015983800000000 ] - [ -0.0014276200000000, -0.0018789000000000, -0.0008464100000000 ] - [ 0.0039651900000000, 0.0041176800000000, -0.0060342300000000 ] - [ -0.0024878900000000, 0.0009843400000000, -0.0004431900000000 ] - [ 0.0131448600000000, 0.0068593400000000, 0.0169823900000000 ] - [ -0.0000433500000000, -0.0003132600000000, 0.0023324800000000 ] - [ 0.0014012000000000, 0.0018343500000000, 0.0057724000000000 ] - [ -0.0023097400000000, 0.0011624800000000, 0.0002680800000000 ] - [ 0.0006079500000000, 0.0004514900000000, -0.0029087600000000 ] - [ -0.0006962200000000, 0.0005559300000000, -0.0023982100000000 ] - [ -0.0000468600000000, -0.0005080600000000, -0.0013055800000000 ] - [ 0.0000430600000000, -0.0001849300000000, -0.0009368500000000 ] - [ 0.0001582700000000, -0.0000276500000000, -0.0009829400000000 ] - [ -0.0001502300000000, -0.0000028100000000, -0.0007899300000000 ] - [ 0.0001729600000000, -0.0000560800000000, -0.0006090100000000 ] - [ -0.0001803700000000, -0.0001324500000000, -0.0003416200000000 ] - [ -0.0002498600000000, 0.0020392300000000, -0.0017492800000000 ] - [ 0.0003167700000000, 0.0010637300000000, -0.0002332500000000 ] - [ 0.0011530400000000, 0.0016210800000000, 0.0063938400000000 ] - [ -0.0015108300000000, -0.0003289200000000, 0.0023084800000000 ] - [ -0.0002335500000000, 0.0009761700000000, -0.0013955400000000 ] - [ 0.0003021000000000, -0.0006873400000000, -0.0003227400000000 ] - [ -0.0000914900000000, -0.0015808100000000, -0.0005299500000000 ] - [ 0.0001297200000000, -0.0000073700000000, -0.0001057800000000 ] - [ 0.0004974000000000, -0.0012387900000000, 0.0024649800000000 ] - [ -0.0005277400000000, -0.0002010400000000, 0.0014829700000000 ] - [ -0.0002468000000000, -0.0025750000000000, 0.0006743200000000 ] - [ -0.0000614500000000, -0.0000243300000000, 0.0002696600000000 ] - [ -0.0000394800000000, -0.0006670700000000, -0.0028435700000000 ] - [ 0.0000395700000000, -0.0000665500000000, -0.0018176900000000 ] - [ 0.0328562400000000, 0.0249719200000000, 0.0391954700000000 ] - [ -0.0020431000000000, 0.0020657500000000, 0.0053883400000000 ] - [ -0.0035985600000000, -0.0024644700000000, -0.0123682500000000 ] - [ 0.0007318200000000, -0.0001836300000000, -0.0012036000000000 ] - [ 0.0002164400000000, -0.0000998900000000, -0.0027218200000000 ] - [ -0.0001818200000000, -0.0000797400000000, -0.0012466700000000 ] - [ 0.0006759000000000, -0.0018663500000000, -0.0077707000000000 ] - [ 0.0006077400000000, -0.0007509600000000, -0.0032268400000000 ] - [ 0.0008279900000000, -0.0009419800000000, 0.0054796700000000 ] - [ -0.0005222800000000, 0.0003083400000000, 0.0024371800000000 ] - [ 0.0008224300000000, 0.0017760000000000, -0.0007377100000000 ] - [ -0.0006356300000000, 0.0004923000000000, -0.0012040300000000 ] - [ 0.0002830000000000, -0.0001331400000000, -0.0017315700000000 ] - [ -0.0002392900000000, -0.0001299100000000, -0.0010758000000000 ] - [ 0.0007165700000000, 0.0013904400000000, -0.0036672500000000 ] - [ -0.0007013800000000, -0.0000668300000000, -0.0030095400000000 ] - [ -0.0000032500000000, -0.0011427400000000, 0.0021220300000000 ] - [ -0.0000075000000000, -0.0008929200000000, 0.0014902500000000 ] - [ -0.0632618400000000, -0.0416878000000000, -0.0767164500000000 ] - [ 0.0010723800000000, -0.0001663800000000, -0.0012540500000000 ] - [ -0.0013566200000000, -0.0005821700000000, 0.0040014900000000 ] - [ 0.0007780700000000, -0.0000318700000000, 0.0010537400000000 ] - [ 0.0083966800000000, -0.0008089800000000, 0.0128358500000000 ] - [ -0.0007224100000000, 0.0007158400000000, -0.0007825000000000 ] - [ 0.0006768300000000, 0.0115972000000000, 0.0123870200000000 ] - [ 0.0012414400000000, -0.0000527000000000, -0.0016725900000000 ] - [ 0.0032115900000000, -0.0016789800000000, -0.0066262000000000 ] - [ 0.0026462400000000, -0.0058052500000000, -0.0096628900000000 ] - [ -0.0014606300000000, 0.0003456600000000, 0.0013039500000000 ] - [ 0.0025118000000000, -0.0003596100000000, 0.0044990500000000 ] - [ -0.0019922900000000, 0.0002530500000000, -0.0019790200000000 ] - [ 0.0036377100000000, 0.0014967700000000, 0.0070459200000000 ] - [ -0.0041746400000000, 0.0045870300000000, -0.0124230900000000 ] - [ 0.0003974000000000, -0.0006098200000000, -0.0009442100000000 ] - [ 0.0010509200000000, 0.0035961000000000, 0.0032833600000000 ] - [ -0.0000809900000000, 0.0002930800000000, 0.0000063500000000 ] - [ 0.0000191700000000, 0.0012478000000000, 0.0008928600000000 ] - [ -0.0000801100000000, 0.0001589400000000, 0.0000127400000000 ] - [ -0.0000434900000000, 0.0013471800000000, 0.0017561100000000 ] - [ 0.0000340900000000, 0.0010463400000000, 0.0013266600000000 ] - [ 0.0007441600000000, 0.0002778300000000, 0.0016584200000000 ] - [ 0.0002993000000000, -0.0000462100000000, 0.0005874000000000 ] - [ 0.0007401500000000, -0.0002958500000000, 0.0008830200000000 ] - [ 0.0007531700000000, -0.0002044600000000, 0.0008824000000000 ] - [ -0.0007927900000000, 0.0002036700000000, 0.0015809500000000 ] - [ -0.0003235900000000, -0.0000449700000000, 0.0005723400000000 ] - [ 0.0013020500000000, -0.0004430000000000, 0.0066139200000000 ] - [ -0.0011019500000000, 0.0006696200000000, 0.0017484300000000 ] - [ -0.0000681000000000, -0.0008569000000000, 0.0020875800000000 ] - [ -0.0000411500000000, -0.0004299600000000, 0.0008271200000000 ] - [ -0.0010803000000000, -0.0004179300000000, 0.0012540300000000 ] - [ -0.0004369000000000, -0.0000807200000000, 0.0005536500000000 ] - [ -0.0002521600000000, 0.0002861200000000, 0.0044338100000000 ] - [ 0.0001997600000000, 0.0000914900000000, 0.0008062800000000 ] - [ 0.0026257400000000, -0.0061456200000000, 0.0020446200000000 ] - [ -0.0003352500000000, 0.0005989400000000, -0.0008905000000000 ] - [ -0.0002097200000000, -0.0005124000000000, 0.0021209400000000 ] - [ 0.0002496600000000, -0.0005134200000000, 0.0018677300000000 ] - [ 0.0001413400000000, -0.0002306900000000, -0.0012871800000000 ] - [ 0.0002290900000000, 0.0004225100000000, -0.0012872100000000 ] - [ -0.0000047900000000, -0.0001487800000000, 0.0010991400000000 ] - [ 0.0009699700000000, 0.0001556200000000, 0.0008594200000000 ] - [ -0.0004788100000000, 0.0007860700000000, -0.0012036800000000 ] - [ 0.0003655600000000, 0.0008747800000000, -0.0004069100000000 ] - [ 0.0003787300000000, -0.0005906100000000, -0.0016636100000000 ] - [ 0.0006126600000000, -0.0000599100000000, -0.0015160100000000 ] - [ -0.0007653800000000, 0.0003302700000000, -0.0014073300000000 ] - [ 0.0003714200000000, -0.0001731900000000, -0.0011941300000000 ] - [ -0.0008332200000000, -0.0000335700000000, 0.0009068400000000 ] - [ -0.0002011200000000, -0.0000102400000000, 0.0010523700000000 ] - [ -0.0012569700000000, -0.0010630900000000, -0.0018611300000000 ] - [ -0.0002514100000000, -0.0000143500000000, -0.0009904600000000 ] - [ 0.0005672300000000, 0.0032919200000000, -0.0039460100000000 ] - [ 0.0001425300000000, -0.0006033600000000, -0.0006088400000000 ] - [ -0.0000867500000000, -0.0020928900000000, 0.0010840600000000 ] - [ 0.0003446300000000, -0.0005209400000000, 0.0000447100000000 ] - [ 0.0001085500000000, -0.0026935700000000, 0.0028980500000000 ] - [ 0.0003669300000000, -0.0005638100000000, 0.0004856000000000 ] - [ -0.0000432900000000, 0.0012784300000000, 0.0016077200000000 ] - [ 0.0000407900000000, 0.0010650800000000, 0.0011997500000000 ] - [ 0.0002242600000000, -0.0003654200000000, 0.0009862600000000 ] - [ 0.0006308900000000, -0.0000572200000000, 0.0004429900000000 ] - [ 0.0004911400000000, -0.0001148800000000, 0.0007568200000000 ] - [ 0.0006844200000000, -0.0001249100000000, 0.0004936700000000 ] - [ -0.0001543700000000, -0.0002309300000000, 0.0005880800000000 ] - [ -0.0007196500000000, -0.0001197400000000, 0.0007133800000000 ] - [ -0.0000842300000000, -0.0001728000000000, 0.0010490400000000 ] - [ 0.0005160600000000, -0.0000370700000000, 0.0007926200000000 ] - [ -0.0001097300000000, -0.0004707900000000, 0.0012252000000000 ] - [ 0.0001240600000000, -0.0003009100000000, 0.0008476000000000 ] - [ -0.0005334500000000, -0.0000567600000000, 0.0005656300000000 ] - [ -0.0006485300000000, -0.0001859900000000, 0.0006650700000000 ] - [ 0.0003478200000000, -0.0000576300000000, 0.0012539400000000 ] - [ -0.0008085900000000, -0.0001880700000000, 0.0005934100000000 ] - [ -0.0013335400000000, 0.0030086600000000, -0.0001841300000000 ] - [ 0.0009324600000000, 0.0014940300000000, -0.0001155400000000 ]- atom: 59 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0005357000000000, -0.0001056600000000, 0.0007818400000000 ] - [ 0.0006095900000000, -0.0003115800000000, 0.0005130600000000 ] - [ -0.0000805300000000, 0.0001259500000000, 0.0028851400000000 ] - [ 0.0000351500000000, 0.0002543000000000, 0.0015544800000000 ] - [ -0.0000424200000000, -0.0004064900000000, 0.0018366300000000 ] - [ 0.0000489100000000, -0.0002172800000000, 0.0015476500000000 ] - [ -0.0007877500000000, 0.0015617600000000, 0.0008945600000000 ] - [ 0.0008723100000000, 0.0015408600000000, 0.0004859200000000 ] - [ -0.0025890600000000, 0.0008156100000000, -0.0058727900000000 ] - [ 0.0006985200000000, 0.0003294600000000, -0.0012138600000000 ] - [ -0.0017517800000000, 0.0003314900000000, 0.0014429700000000 ] - [ 0.0014192800000000, -0.0000642100000000, 0.0006756400000000 ] - [ -0.0039637200000000, -0.0040821400000000, 0.0042836700000000 ] - [ 0.0024614100000000, -0.0009444100000000, -0.0013436300000000 ] - [ -0.0124985500000000, -0.0069555500000000, -0.0157941200000000 ] - [ 0.0000306800000000, -0.0000099400000000, -0.0016954700000000 ] - [ -0.0011250200000000, -0.0014390300000000, -0.0069280800000000 ] - [ 0.0022919300000000, -0.0008530800000000, -0.0011007100000000 ] - [ -0.0006045400000000, -0.0004742500000000, 0.0011083900000000 ] - [ 0.0006935000000000, -0.0005803100000000, 0.0005944300000000 ] - [ 0.0000447700000000, 0.0002107400000000, 0.0004861800000000 ] - [ -0.0000441600000000, -0.0001112600000000, 0.0001199000000000 ] - [ -0.0001573700000000, 0.0003504300000000, 0.0015721000000000 ] - [ 0.0001494800000000, 0.0003250000000000, 0.0013758800000000 ] - [ -0.0001720000000000, -0.0002430300000000, 0.0017876200000000 ] - [ 0.0001770000000000, -0.0001667100000000, 0.0015191100000000 ] - [ 0.0002467100000000, -0.0000953000000000, 0.0015895300000000 ] - [ -0.0003126500000000, 0.0008725400000000, 0.0000842800000000 ] - [ -0.0011160200000000, -0.0013630400000000, -0.0051780000000000 ] - [ 0.0014881600000000, 0.0006157100000000, -0.0011077000000000 ] - [ 0.0002366700000000, -0.0029093300000000, 0.0012382300000000 ] - [ -0.0003083400000000, -0.0012506600000000, 0.0001694300000000 ] - [ 0.0000951400000000, 0.0015879700000000, -0.0012522900000000 ] - [ -0.0001324300000000, 0.0000338100000000, -0.0016761900000000 ] - [ -0.0004922000000000, 0.0009081800000000, -0.0018433100000000 ] - [ 0.0005243300000000, -0.0001240900000000, -0.0008735700000000 ] - [ 0.0002581700000000, 0.0028605000000000, -0.0014950100000000 ] - [ 0.0000587800000000, 0.0003162800000000, -0.0010837400000000 ] - [ 0.0000412100000000, 0.0006401300000000, 0.0010404400000000 ] - [ -0.0000416300000000, 0.0000396900000000, 0.0000183300000000 ] - [ -0.0340070800000000, -0.0250852000000000, -0.0380725800000000 ] - [ 0.0020246500000000, -0.0014098700000000, -0.0040745700000000 ] - [ 0.0036723600000000, 0.0034317000000000, 0.0087222600000000 ] - [ -0.0007450000000000, 0.0011276700000000, -0.0024109900000000 ] - [ -0.0002153900000000, -0.0005508900000000, 0.0040047600000000 ] - [ 0.0001808800000000, -0.0005715800000000, 0.0025408400000000 ] - [ -0.0006728700000000, 0.0009213300000000, 0.0041081000000000 ] - [ -0.0006019000000000, -0.0001885000000000, -0.0003863700000000 ] - [ -0.0008159900000000, 0.0015985000000000, -0.0041790700000000 ] - [ 0.0005061200000000, 0.0003456300000000, -0.0011307600000000 ] - [ -0.0008152500000000, -0.0008494300000000, -0.0028808900000000 ] - [ 0.0006296300000000, 0.0004414500000000, -0.0024170000000000 ] - [ -0.0002793700000000, -0.0005158600000000, 0.0030227700000000 ] - [ 0.0002367800000000, -0.0005197700000000, 0.0023699400000000 ] - [ -0.0007099000000000, -0.0023083000000000, 0.0000505700000000 ] - [ 0.0006951000000000, -0.0008639700000000, -0.0006028700000000 ] - [ 0.0000017000000000, -0.0004668400000000, -0.0008364100000000 ] - [ 0.0000086000000000, -0.0007161000000000, -0.0002072600000000 ] - [ 0.0638886200000000, 0.0420737700000000, 0.0761171700000000 ] - [ -0.0004236400000000, 0.0000048100000000, 0.0007695100000000 ] - [ 0.0020632400000000, 0.0006414700000000, -0.0023778800000000 ] - [ -0.0000408500000000, 0.0000995400000000, 0.0005566600000000 ] - [ -0.0085077600000000, 0.0014918600000000, -0.0126845000000000 ] - [ 0.0007357000000000, -0.0000426400000000, 0.0010333300000000 ] - [ 0.0003001200000000, -0.0116910600000000, -0.0130581200000000 ] - [ -0.0002273000000000, 0.0000963500000000, 0.0010758200000000 ] - [ -0.0038559400000000, 0.0015001600000000, 0.0061049100000000 ] - [ -0.0031161300000000, 0.0056411300000000, 0.0091722400000000 ] - [ 0.0007348200000000, -0.0002824500000000, 0.0003085500000000 ] - [ -0.0032417300000000, 0.0004155800000000, -0.0028707600000000 ] - [ 0.0009936500000000, -0.0002117200000000, 0.0013820000000000 ] - [ -0.0045223700000000, -0.0014033300000000, -0.0075003500000000 ] - [ 0.0042538400000000, -0.0060595700000000, 0.0131919800000000 ] - [ -0.0003944100000000, -0.0009226200000000, 0.0017145200000000 ] - [ -0.0010679800000000, -0.0036082400000000, -0.0033661400000000 ] - [ 0.0000837800000000, -0.0003141400000000, -0.0000942200000000 ] - [ -0.0000202200000000, -0.0012148200000000, -0.0009745500000000 ] - [ 0.0000799500000000, -0.0001377100000000, -0.0001054200000000 ] - [ 0.0000434000000000, 0.0001903700000000, -0.0009664800000000 ] - [ -0.0000340700000000, 0.0004919400000000, -0.0005377500000000 ] - [ 0.0002591000000000, -0.0003216300000000, -0.0022419800000000 ] - [ 0.0007006200000000, 0.0000011500000000, -0.0011827800000000 ] - [ -0.0001012500000000, 0.0004547100000000, -0.0013563300000000 ] - [ -0.0001147700000000, 0.0003636900000000, -0.0013562800000000 ] - [ -0.0002107700000000, -0.0002479500000000, -0.0021684100000000 ] - [ -0.0006764900000000, -0.0000011100000000, -0.0011700500000000 ] - [ -0.0005641700000000, 0.0003652100000000, -0.0049556200000000 ] - [ 0.0018168900000000, -0.0007285200000000, -0.0001332800000000 ] - [ 0.0000677200000000, 0.0001716700000000, -0.0018220100000000 ] - [ 0.0000400000000000, -0.0002501200000000, -0.0005755600000000 ] - [ 0.0004398200000000, 0.0005758900000000, -0.0017223000000000 ] - [ -0.0002008700000000, 0.0002398300000000, -0.0010256300000000 ] - [ -0.0004782500000000, -0.0003522100000000, -0.0027897900000000 ] - [ -0.0009254100000000, -0.0001588500000000, 0.0008013500000000 ] - [ -0.0026026100000000, 0.0076868500000000, -0.0007707500000000 ] - [ 0.0003317300000000, 0.0010113200000000, 0.0021466200000000 ] - [ 0.0002087200000000, -0.0010937500000000, -0.0008365800000000 ] - [ -0.0002502700000000, -0.0010952500000000, -0.0005777000000000 ] - [ 0.0004905200000000, 0.0000743600000000, 0.0008015600000000 ] - [ 0.0004146000000000, -0.0005784400000000, 0.0008023300000000 ] - [ 0.0007348100000000, 0.0002178100000000, 0.0005119900000000 ] - [ -0.0002425000000000, -0.0000880800000000, 0.0007557900000000 ] - [ 0.0004759300000000, -0.0001026500000000, 0.0014557900000000 ] - [ -0.0003614800000000, -0.0001909900000000, 0.0006582200000000 ] - [ 0.0006209100000000, 0.0006408000000000, 0.0010667300000000 ] - [ 0.0003975900000000, 0.0001006200000000, 0.0009245400000000 ] - [ 0.0001209400000000, -0.0004851600000000, 0.0009263400000000 ] - [ -0.0009996700000000, 0.0000129100000000, 0.0007108300000000 ] - [ 0.0000993300000000, 0.0001037000000000, 0.0007072600000000 ] - [ -0.0005237600000000, 0.0000778300000000, 0.0005657000000000 ] - [ 0.0002440600000000, 0.0011072400000000, 0.0012653700000000 ] - [ -0.0007436400000000, 0.0000612600000000, 0.0003902100000000 ] - [ -0.0005902100000000, -0.0048429300000000, 0.0047012300000000 ] - [ -0.0001334200000000, -0.0009370600000000, 0.0013852800000000 ] - [ 0.0000813200000000, 0.0020866700000000, -0.0011778000000000 ] - [ -0.0003439200000000, 0.0005037500000000, -0.0001264700000000 ] - [ -0.0001045800000000, 0.0026864900000000, -0.0029595900000000 ] - [ -0.0003641400000000, 0.0005763400000000, -0.0005715500000000 ] - [ 0.0000428800000000, 0.0002602500000000, -0.0008176400000000 ] - [ -0.0000401000000000, 0.0004708600000000, -0.0004126500000000 ] - [ 0.0007768600000000, 0.0003176000000000, -0.0015775300000000 ] - [ 0.0003725500000000, 0.0000114700000000, -0.0010388300000000 ] - [ 0.0001483200000000, 0.0002739900000000, -0.0012304000000000 ] - [ -0.0000435700000000, 0.0002842900000000, -0.0009683300000000 ] - [ -0.0008439100000000, 0.0001836200000000, -0.0011857600000000 ] - [ -0.0002860800000000, 0.0000736800000000, -0.0013098200000000 ] - [ 0.0008127700000000, 0.0001021400000000, 0.0005568900000000 ] - [ 0.0002159600000000, -0.0000313500000000, 0.0008139800000000 ] - [ 0.0001086400000000, -0.0002113400000000, -0.0009699000000000 ] - [ -0.0001224600000000, -0.0003767600000000, -0.0005952000000000 ] - [ -0.0001044700000000, 0.0002172100000000, -0.0010371100000000 ] - [ 0.0000065500000000, 0.0003432400000000, -0.0011343000000000 ] - [ -0.0010730100000000, -0.0000104800000000, 0.0003596700000000 ] - [ 0.0000716900000000, 0.0001165900000000, 0.0010113700000000 ] - [ 0.0013223500000000, -0.0013880300000000, 0.0014373500000000 ] - [ -0.0009210000000000, 0.0001258800000000, 0.0013836300000000 ]- atom: 61 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0004981000000000, 0.0000504700000000, -0.0001579500000000 ] - [ -0.0004911300000000, -0.0000361300000000, 0.0000931700000000 ] - [ 0.0082724100000000, 0.0011469900000000, 0.0001941400000000 ] - [ -0.0023925100000000, 0.0008148000000000, 0.0019883000000000 ] - [ 0.0002873900000000, 0.0001835600000000, 0.0023345600000000 ] - [ -0.0003787900000000, -0.0001407100000000, 0.0000710800000000 ] - [ 0.0002245600000000, 0.0008599200000000, 0.0004512300000000 ] - [ -0.0002223100000000, 0.0009529800000000, 0.0002777800000000 ] - [ 0.0007075100000000, 0.0017216500000000, 0.0016799000000000 ] - [ -0.0007214000000000, -0.0000841800000000, 0.0001946800000000 ] - [ 0.0037526600000000, 0.0036499100000000, -0.0032987600000000 ] - [ -0.0048015700000000, -0.0034318700000000, -0.0010187600000000 ] - [ 0.0002470000000000, 0.0001638600000000, 0.0007088400000000 ] - [ -0.0002436400000000, 0.0000393500000000, -0.0007391100000000 ] - [ 0.0007843600000000, 0.0000960800000000, 0.0008192400000000 ] - [ -0.0008439200000000, 0.0000583000000000, 0.0012522900000000 ] - [ 0.0006172800000000, -0.0012048700000000, -0.0090927400000000 ] - [ -0.0041631900000000, 0.0019930100000000, 0.0004838000000000 ] - [ 0.0049984300000000, 0.0004333100000000, -0.0002276200000000 ] - [ -0.0033499800000000, 0.0020771700000000, -0.0038264300000000 ] - [ 0.0001918500000000, -0.0004636600000000, 0.0001079800000000 ] - [ -0.0002007800000000, -0.0001100700000000, -0.0002782900000000 ] - [ 0.0006374600000000, -0.0004334100000000, 0.0012527100000000 ] - [ -0.0005844800000000, -0.0002035800000000, -0.0004109100000000 ] - [ 0.0007823100000000, -0.0003154300000000, 0.0005347000000000 ] - [ -0.0008036200000000, -0.0004668400000000, 0.0014077100000000 ] - [ 0.0001505100000000, 0.0010168000000000, 0.0004061800000000 ] - [ -0.0001504000000000, 0.0008331600000000, 0.0004284500000000 ] - [ 0.0013399300000000, -0.0003112500000000, 0.0000727000000000 ] - [ -0.0021664100000000, -0.0006121200000000, 0.0021313000000000 ] - [ 0.0033953800000000, 0.0018781500000000, -0.0022039600000000 ] - [ -0.0021970700000000, -0.0019709200000000, -0.0010344800000000 ] - [ 0.0002161400000000, -0.0000354000000000, -0.0007301700000000 ] - [ -0.0002176200000000, 0.0000664700000000, -0.0003111800000000 ] - [ 0.0003425000000000, -0.0007420300000000, 0.0009821300000000 ] - [ -0.0003512800000000, -0.0001984200000000, 0.0004983900000000 ] - [ 0.0018835300000000, -0.0027736200000000, 0.0009334500000000 ] - [ -0.0014888000000000, 0.0006287700000000, -0.0013031900000000 ] - [ 0.0019399900000000, -0.0017791800000000, -0.0041113300000000 ] - [ -0.0018444300000000, 0.0004003500000000, -0.0004807300000000 ] - [ 0.0098103100000000, 0.0012449400000000, 0.0102984900000000 ] - [ -0.0026061300000000, 0.0003061100000000, -0.0016501400000000 ] - [ 0.1060967000000000, 0.0298490700000000, -0.0587754900000000 ] - [ -0.0114136100000000, 0.0023230100000000, -0.0078871600000000 ] - [ 0.0009053800000000, 0.0009004200000000, 0.0041762800000000 ] - [ -0.0009957600000000, -0.0002989200000000, 0.0004868100000000 ] - [ 0.0002250900000000, -0.0004631300000000, -0.0000853300000000 ] - [ -0.0002565800000000, -0.0003956000000000, -0.0010970700000000 ] - [ 0.0014187800000000, 0.0004168500000000, -0.0018785400000000 ] - [ -0.0013634500000000, -0.0000693100000000, 0.0010132100000000 ] - [ 0.0021781800000000, -0.0032349900000000, -0.0048947400000000 ] - [ -0.0019353300000000, 0.0003105700000000, -0.0025107300000000 ] - [ 0.0010391900000000, -0.0006433600000000, 0.0005523000000000 ] - [ -0.0010299300000000, -0.0003484400000000, 0.0015700000000000 ] - [ 0.0003261600000000, -0.0006553500000000, -0.0010986600000000 ] - [ -0.0003306800000000, -0.0005453700000000, -0.0009918200000000 ] - [ -0.0029762900000000, -0.0019222400000000, 0.0019229100000000 ] - [ 0.0031596000000000, -0.0001999000000000, 0.0003126200000000 ] - [ -0.0033483000000000, -0.0023582200000000, -0.0019508700000000 ] - [ 0.0020132000000000, 0.0006034800000000, 0.0001735000000000 ] - [ -0.1555662400000000, -0.0479781900000000, 0.0833357800000000 ] - [ 0.0057192100000000, 0.0004639900000000, -0.0002921800000000 ] - [ -0.0019849700000000, -0.0092151700000000, -0.0108329100000000 ] - [ 0.0014247000000000, 0.0010230100000000, 0.0018285300000000 ] - [ -0.0089840500000000, 0.0005639500000000, -0.0002685600000000 ] - [ 0.0037655900000000, -0.0007051600000000, 0.0014114500000000 ] - [ 0.0002371700000000, -0.0004350900000000, 0.0008624100000000 ] - [ 0.0003145200000000, -0.0016105900000000, -0.0031158200000000 ] - [ 0.0157306900000000, -0.0018078800000000, 0.0043581400000000 ] - [ 0.0225166600000000, -0.0016710000000000, 0.0083364000000000 ] - [ 0.0010769400000000, -0.0000211600000000, 0.0023049700000000 ] - [ 0.0091066900000000, 0.0046383800000000, -0.0204869000000000 ] - [ -0.0010460500000000, 0.0014573600000000, -0.0022788700000000 ] - [ 0.0004432600000000, -0.0013528300000000, 0.0010160900000000 ] - [ -0.0016751100000000, 0.0198949400000000, 0.0044617000000000 ] - [ 0.0023474500000000, -0.0011767600000000, 0.0001436000000000 ] - [ -0.0000639800000000, 0.0002462900000000, -0.0004920500000000 ] - [ 0.0000655400000000, 0.0000518300000000, -0.0003191600000000 ] - [ -0.0006678400000000, 0.0009002200000000, -0.0044042900000000 ] - [ 0.0001674700000000, 0.0006863100000000, 0.0008640000000000 ] - [ 0.0007455500000000, 0.0000735300000000, -0.0013569900000000 ] - [ 0.0004579300000000, -0.0000606100000000, -0.0004902400000000 ] - [ 0.0005407200000000, 0.0000485000000000, -0.0017011800000000 ] - [ 0.0012234700000000, -0.0003718600000000, 0.0007138700000000 ] - [ -0.0011323000000000, 0.0001377600000000, -0.0014122800000000 ] - [ -0.0000614300000000, -0.0001367000000000, -0.0004917400000000 ] - [ 0.0005904300000000, -0.0001524000000000, 0.0002197700000000 ] - [ 0.0005900600000000, -0.0002226500000000, 0.0002848000000000 ] - [ -0.0001134700000000, -0.0003972900000000, -0.0008323500000000 ] - [ 0.0001059400000000, -0.0003409900000000, -0.0000504800000000 ] - [ -0.0022019500000000, -0.0004370000000000, -0.0003421300000000 ] - [ 0.0007481400000000, 0.0003389500000000, -0.0008015200000000 ] - [ -0.0009646900000000, -0.0002930800000000, 0.0000631100000000 ] - [ -0.0002037300000000, -0.0000683400000000, 0.0004563100000000 ] - [ -0.0004106600000000, 0.0008547800000000, 0.0002746400000000 ] - [ 0.0003571800000000, 0.0006701500000000, -0.0004691700000000 ] - [ -0.0001397600000000, -0.0035361800000000, -0.0022595400000000 ] - [ 0.0009552500000000, -0.0000273300000000, 0.0021188100000000 ] - [ 0.0003726500000000, 0.0002086100000000, 0.0003691300000000 ] - [ 0.0007120500000000, 0.0004941100000000, -0.0006079500000000 ] - [ 0.0008595600000000, -0.0001876100000000, 0.0010084700000000 ] - [ 0.0008657600000000, 0.0007220700000000, 0.0010192300000000 ] - [ -0.0008945300000000, -0.0011408400000000, 0.0033847500000000 ] - [ 0.0007617900000000, 0.0014153200000000, -0.0000006700000000 ] - [ 0.0005655600000000, 0.0004304600000000, 0.0011240000000000 ] - [ 0.0010718900000000, -0.0003011600000000, -0.0002641600000000 ] - [ -0.0016596500000000, 0.0007388900000000, 0.0002301100000000 ] - [ 0.0005739600000000, 0.0000200000000000, -0.0003974300000000 ] - [ -0.0031043800000000, 0.0008125800000000, 0.0002455300000000 ] - [ 0.0013234900000000, -0.0001226900000000, 0.0017235600000000 ] - [ -0.0024661700000000, -0.0002259000000000, 0.0010175900000000 ] - [ 0.0006424500000000, 0.0002217900000000, -0.0000913300000000 ] - [ -0.0003833900000000, -0.0011946100000000, 0.0010574100000000 ] - [ 0.0003602800000000, -0.0008273700000000, 0.0000665300000000 ] - [ 0.0009485100000000, 0.0075173800000000, 0.0040396700000000 ] - [ 0.0009173000000000, -0.0008343700000000, 0.0001561700000000 ] - [ -0.0000796900000000, 0.0002908500000000, -0.0005956000000000 ] - [ 0.0000802000000000, 0.0001078800000000, -0.0003428700000000 ] - [ -0.0004674000000000, 0.0010502000000000, 0.0010128000000000 ] - [ 0.0004166300000000, 0.0003591100000000, -0.0001065400000000 ] - [ 0.0000359200000000, -0.0001651600000000, -0.0006073900000000 ] - [ 0.0008961100000000, 0.0001043700000000, -0.0006831200000000 ] - [ -0.0007489000000000, 0.0004945600000000, -0.0006873100000000 ] - [ 0.0009525700000000, 0.0000466300000000, -0.0000884700000000 ] - [ -0.0002712900000000, -0.0000991300000000, -0.0008058300000000 ] - [ -0.0006554500000000, 0.0000332800000000, -0.0004930700000000 ] - [ 0.0002085300000000, -0.0000165700000000, 0.0005369000000000 ] - [ 0.0007375200000000, -0.0001173200000000, 0.0004402200000000 ] - [ -0.0001619600000000, -0.0002191900000000, -0.0000952900000000 ] - [ 0.0001597100000000, -0.0002434300000000, -0.0002994000000000 ] - [ 0.0003143500000000, 0.0004227700000000, -0.0009473100000000 ] - [ -0.0005168800000000, 0.0001119200000000, 0.0002032700000000 ] - [ -0.0004220500000000, -0.0000480300000000, 0.0005407600000000 ] - [ -0.0005223100000000, -0.0000857100000000, 0.0004421700000000 ] - [ -0.0001853100000000, 0.0007643900000000, -0.0001756800000000 ] - [ 0.0001757200000000, 0.0008592500000000, 0.0005503900000000 ]- atom: 61 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0004963600000000, -0.0003459900000000, -0.0006593200000000 ] - [ 0.0004905200000000, -0.0002593500000000, -0.0009068300000000 ] - [ -0.0083742400000000, -0.0008372300000000, 0.0001850000000000 ] - [ 0.0023849800000000, -0.0004885500000000, -0.0013705600000000 ] - [ -0.0002820200000000, -0.0004808400000000, -0.0011486800000000 ] - [ 0.0003717000000000, -0.0001601500000000, 0.0011146000000000 ] - [ -0.0002252600000000, 0.0010739800000000, -0.0006052500000000 ] - [ 0.0002224200000000, 0.0009817000000000, -0.0004301300000000 ] - [ -0.0007068500000000, -0.0014233600000000, -0.0004917800000000 ] - [ 0.0007213600000000, 0.0003794400000000, 0.0009864300000000 ] - [ -0.0036027400000000, -0.0057494100000000, 0.0031797300000000 ] - [ 0.0048058600000000, 0.0015253200000000, 0.0008705300000000 ] - [ -0.0002479000000000, -0.0001375900000000, -0.0025026500000000 ] - [ 0.0002443400000000, -0.0000144100000000, -0.0010577900000000 ] - [ -0.0007824800000000, -0.0004186700000000, -0.0002260300000000 ] - [ 0.0008416500000000, -0.0003818300000000, -0.0006593700000000 ] - [ -0.0005534600000000, 0.0015175500000000, 0.0083121800000000 ] - [ 0.0041607200000000, -0.0017121100000000, -0.0013125100000000 ] - [ -0.0048081600000000, -0.0002647500000000, -0.0017758600000000 ] - [ 0.0033456600000000, -0.0021253100000000, 0.0020634500000000 ] - [ -0.0001915100000000, 0.0001698100000000, -0.0009213800000000 ] - [ 0.0001975000000000, -0.0001846800000000, -0.0005365300000000 ] - [ -0.0006316900000000, 0.0007499000000000, -0.0006535100000000 ] - [ 0.0005791300000000, 0.0005294300000000, 0.0010102700000000 ] - [ -0.0007802000000000, 0.0000241000000000, 0.0006392400000000 ] - [ 0.0007992100000000, 0.0001688000000000, -0.0002187700000000 ] - [ -0.0001496900000000, 0.0009160300000000, -0.0005581200000000 ] - [ 0.0001499400000000, 0.0011002100000000, -0.0005812500000000 ] - [ -0.0013296800000000, 0.0006060100000000, 0.0011169100000000 ] - [ 0.0021661000000000, 0.0009127200000000, -0.0009536300000000 ] - [ -0.0034379600000000, -0.0037405000000000, 0.0020806500000000 ] - [ 0.0021959900000000, 0.0000277500000000, 0.0008816500000000 ] - [ -0.0002142800000000, 0.0000606400000000, -0.0010648500000000 ] - [ 0.0002158800000000, -0.0000410000000000, -0.0014853500000000 ] - [ -0.0003429000000000, 0.0004186300000000, -0.0003872900000000 ] - [ 0.0003531000000000, -0.0001234700000000, 0.0000953000000000 ] - [ -0.0018857200000000, 0.0030647600000000, -0.0017430900000000 ] - [ 0.0014896400000000, -0.0003314800000000, 0.0004859800000000 ] - [ -0.0019448600000000, 0.0017393700000000, 0.0023172900000000 ] - [ 0.0018452100000000, -0.0004232100000000, -0.0013033300000000 ] - [ -0.0098901100000000, -0.0006028600000000, -0.0089820800000000 ] - [ 0.0026111500000000, 0.0003393800000000, 0.0029315900000000 ] - [ -0.1102216900000000, -0.0310063500000000, 0.0592530500000000 ] - [ 0.0113688200000000, -0.0013746700000000, 0.0042428100000000 ] - [ -0.0008873800000000, -0.0015393600000000, -0.0028692300000000 ] - [ 0.0009726100000000, -0.0003411800000000, 0.0008025900000000 ] - [ -0.0002220900000000, -0.0004703800000000, -0.0035247200000000 ] - [ 0.0002536200000000, -0.0005385300000000, -0.0025163900000000 ] - [ -0.0014116600000000, 0.0002341700000000, 0.0031763000000000 ] - [ 0.0013576200000000, 0.0007228500000000, 0.0002840500000000 ] - [ -0.0021670600000000, 0.0041813100000000, 0.0012908200000000 ] - [ 0.0019214800000000, 0.0006226500000000, -0.0010912800000000 ] - [ -0.0010385800000000, -0.0000123800000000, 0.0007384400000000 ] - [ 0.0010300900000000, -0.0002997500000000, -0.0002706000000000 ] - [ -0.0003256400000000, -0.0002780200000000, -0.0025137700000000 ] - [ 0.0003304400000000, -0.0003871900000000, -0.0026159900000000 ] - [ 0.0029983000000000, 0.0002692100000000, -0.0006156800000000 ] - [ -0.0031585800000000, -0.0014038100000000, 0.0009605800000000 ] - [ 0.0039883600000000, 0.0021985000000000, 0.0014676200000000 ] - [ -0.0013750700000000, -0.0007625400000000, -0.0006484200000000 ] - [ 0.1603481500000000, 0.0500908500000000, -0.0854457400000000 ] - [ -0.0049858800000000, -0.0003926300000000, 0.0018920000000000 ] - [ 0.0020808900000000, 0.0099781500000000, 0.0110816200000000 ] - [ -0.0014233300000000, -0.0003389000000000, -0.0015672500000000 ] - [ 0.0100306300000000, -0.0004779600000000, -0.0004398900000000 ] - [ -0.0027629500000000, 0.0007511200000000, -0.0019933700000000 ] - [ -0.0008780800000000, 0.0002762500000000, -0.0013357900000000 ] - [ -0.0009374800000000, 0.0014523700000000, 0.0026360200000000 ] - [ -0.0163005400000000, 0.0018728300000000, -0.0027432100000000 ] - [ -0.0236214800000000, 0.0017614700000000, -0.0067918500000000 ] - [ -0.0020810300000000, 0.0000661400000000, -0.0028914200000000 ] - [ -0.0102462500000000, -0.0046348200000000, 0.0200720000000000 ] - [ 0.0010556800000000, -0.0029903100000000, 0.0030530800000000 ] - [ -0.0004450600000000, -0.0001801900000000, -0.0002322600000000 ] - [ 0.0017895700000000, -0.0199964900000000, -0.0046481600000000 ] - [ -0.0023467300000000, 0.0011432300000000, -0.0002376900000000 ] - [ 0.0000630000000000, -0.0002311400000000, 0.0004039300000000 ] - [ -0.0000648300000000, -0.0000378000000000, 0.0002323100000000 ] - [ 0.0006610400000000, 0.0006336700000000, 0.0051590800000000 ] - [ -0.0001630400000000, 0.0008437600000000, -0.0000899900000000 ] - [ 0.0002512900000000, -0.0001220100000000, 0.0007588800000000 ] - [ 0.0005433400000000, 0.0000132900000000, -0.0001049800000000 ] - [ 0.0000913300000000, 0.0001133000000000, 0.0012125500000000 ] - [ -0.0005485600000000, 0.0005174700000000, -0.0011573000000000 ] - [ 0.0001294100000000, -0.0001853400000000, 0.0008114500000000 ] - [ -0.0009332100000000, 0.0000881800000000, -0.0001058400000000 ] - [ 0.0001352300000000, 0.0000862600000000, 0.0013922800000000 ] - [ 0.0001362000000000, 0.0001568000000000, 0.0013279800000000 ] - [ 0.0001119100000000, -0.0002798700000000, 0.0010829200000000 ] - [ -0.0001045100000000, -0.0003350000000000, 0.0003024000000000 ] - [ 0.0015429300000000, 0.0005890600000000, -0.0001201700000000 ] - [ -0.0013766700000000, -0.0001756500000000, 0.0003178500000000 ] - [ 0.0002369400000000, 0.0002265900000000, 0.0015514500000000 ] - [ -0.0005205500000000, 0.0000028500000000, 0.0011605400000000 ] - [ 0.0004094600000000, 0.0007499700000000, 0.0010028500000000 ] - [ -0.0003556000000000, 0.0009397300000000, 0.0017516200000000 ] - [ 0.0001267600000000, 0.0019346200000000, 0.0035304900000000 ] - [ -0.0009517600000000, -0.0015863200000000, -0.0008509700000000 ] - [ 0.0002641500000000, -0.0003683100000000, -0.0008472600000000 ] - [ -0.0000707900000000, -0.0006552200000000, 0.0001292400000000 ] - [ -0.0001356300000000, 0.0002494900000000, 0.0006016000000000 ] - [ -0.0001270500000000, -0.0006597200000000, 0.0005876800000000 ] - [ 0.0008897100000000, 0.0018120900000000, -0.0031283200000000 ] - [ -0.0007592800000000, -0.0007477100000000, 0.0002496800000000 ] - [ 0.0004304700000000, -0.0003822700000000, -0.0017245700000000 ] - [ -0.0000648600000000, 0.0003457200000000, -0.0003393900000000 ] - [ 0.0010182300000000, -0.0008964500000000, -0.0007060000000000 ] - [ -0.0012112400000000, -0.0001829400000000, -0.0000776300000000 ] - [ 0.0023677700000000, -0.0007505500000000, 0.0013641900000000 ] - [ -0.0020460200000000, 0.0001878500000000, -0.0001096200000000 ] - [ 0.0014600800000000, 0.0002700500000000, -0.0016240700000000 ] - [ -0.0016380900000000, -0.0001729200000000, -0.0005118300000000 ] - [ 0.0003818600000000, -0.0003376700000000, -0.0002745700000000 ] - [ -0.0003583700000000, -0.0007050300000000, 0.0007154900000000 ] - [ -0.0009682400000000, -0.0075309000000000, -0.0041207600000000 ] - [ -0.0009125900000000, 0.0008289300000000, -0.0002439000000000 ] - [ 0.0000798400000000, -0.0002757900000000, 0.0005077500000000 ] - [ -0.0000801200000000, -0.0000933200000000, 0.0002555900000000 ] - [ 0.0004674500000000, 0.0005002200000000, -0.0002201100000000 ] - [ -0.0004165300000000, 0.0011708200000000, 0.0008832800000000 ] - [ 0.0009628100000000, 0.0001181300000000, 0.0000111300000000 ] - [ 0.0001048600000000, -0.0001510300000000, 0.0000833600000000 ] - [ 0.0013850800000000, -0.0003350300000000, 0.0002066900000000 ] - [ -0.0003118600000000, 0.0001126900000000, -0.0003917800000000 ] - [ -0.0007282000000000, 0.0000524700000000, 0.0002034100000000 ] - [ -0.0003436400000000, -0.0000805600000000, -0.0001063400000000 ] - [ 0.0005167800000000, -0.0000500700000000, 0.0010752800000000 ] - [ -0.0000115800000000, 0.0000506200000000, 0.0011722400000000 ] - [ 0.0001618200000000, -0.0004596300000000, 0.0003476400000000 ] - [ -0.0001590000000000, -0.0004334700000000, 0.0005476400000000 ] - [ -0.0009536900000000, -0.0002622900000000, 0.0004706200000000 ] - [ -0.0001199200000000, 0.0000462400000000, -0.0006801500000000 ] - [ -0.0003043200000000, -0.0000184800000000, 0.0010743700000000 ] - [ -0.0002032400000000, 0.0000188500000000, 0.0011733100000000 ] - [ 0.0001855400000000, 0.0008401800000000, 0.0014539300000000 ] - [ -0.0001759700000000, 0.0007481900000000, 0.0007296700000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001836900000000, 0.0001196900000000, -0.0001877600000000 ] - [ -0.0001818000000000, 0.0000629900000000, -0.0001615700000000 ] - [ 0.0017356900000000, 0.0045244200000000, 0.0013575900000000 ] - [ -0.0007580000000000, 0.0013588700000000, 0.0002345900000000 ] - [ 0.0001119700000000, 0.0004930000000000, -0.0002131500000000 ] - [ -0.0000588300000000, 0.0000201900000000, 0.0003514100000000 ] - [ 0.0000845200000000, 0.0008785600000000, 0.0002599700000000 ] - [ -0.0000823800000000, 0.0008893300000000, 0.0001667000000000 ] - [ 0.0001781600000000, 0.0002747300000000, 0.0002849500000000 ] - [ -0.0002149100000000, 0.0001553400000000, 0.0004943400000000 ] - [ 0.0006945100000000, 0.0038050400000000, -0.0003947400000000 ] - [ -0.0021943900000000, -0.0012915600000000, -0.0005653300000000 ] - [ 0.0000572200000000, 0.0001307600000000, -0.0002178300000000 ] - [ -0.0000615500000000, 0.0000841700000000, -0.0006470300000000 ] - [ 0.0002328900000000, -0.0000078400000000, 0.0006164200000000 ] - [ -0.0002075000000000, -0.0000362300000000, 0.0007286300000000 ] - [ -0.0021118700000000, 0.0019232900000000, -0.0055562600000000 ] - [ -0.0001804000000000, 0.0008877900000000, -0.0005132600000000 ] - [ 0.0038642400000000, 0.0067527200000000, -0.0045918100000000 ] - [ 0.0001791900000000, 0.0008874300000000, -0.0018505000000000 ] - [ -0.0000082200000000, -0.0005121900000000, -0.0002095500000000 ] - [ -0.0000042900000000, -0.0002692800000000, -0.0003105100000000 ] - [ 0.0000585400000000, -0.0020962700000000, 0.0001369800000000 ] - [ -0.0000236400000000, -0.0006267800000000, 0.0000827500000000 ] - [ 0.0003224900000000, -0.0007473400000000, 0.0017720200000000 ] - [ -0.0003480000000000, -0.0005452500000000, 0.0011489300000000 ] - [ 0.0000295600000000, 0.0010233800000000, 0.0001500800000000 ] - [ -0.0000302900000000, 0.0009593600000000, 0.0001539700000000 ] - [ 0.0006968600000000, -0.0001309400000000, 0.0013663100000000 ] - [ -0.0007064700000000, -0.0000979600000000, 0.0012168500000000 ] - [ 0.0048700900000000, -0.0080350000000000, -0.0023890000000000 ] - [ -0.0010179700000000, -0.0012208300000000, -0.0009109000000000 ] - [ 0.0000465200000000, -0.0000426600000000, -0.0006916300000000 ] - [ -0.0000462500000000, -0.0000074400000000, -0.0006352600000000 ] - [ 0.0000596500000000, -0.0004595600000000, 0.0007194800000000 ] - [ -0.0000653800000000, -0.0002579700000000, 0.0004826500000000 ] - [ 0.0001297500000000, -0.0025349000000000, 0.0013899000000000 ] - [ 0.0000450300000000, -0.0002559800000000, -0.0002500400000000 ] - [ -0.0005185800000000, -0.0030340600000000, -0.0042648000000000 ] - [ 0.0003215700000000, -0.0005009400000000, -0.0011888100000000 ] - [ 0.0000549900000000, 0.0061091300000000, 0.0035438900000000 ] - [ -0.0003328600000000, 0.0011571400000000, 0.0009799800000000 ] - [ 0.0328035600000000, 0.0353833700000000, -0.0254490000000000 ] - [ -0.0009204000000000, 0.0025693300000000, -0.0027104100000000 ] - [ 0.0000933400000000, 0.0009035400000000, 0.0028639600000000 ] - [ -0.0001161700000000, 0.0001158700000000, 0.0009819300000000 ] - [ -0.0000266100000000, -0.0003658100000000, -0.0007131800000000 ] - [ -0.0000077500000000, -0.0003884400000000, -0.0012264000000000 ] - [ 0.0002801700000000, -0.0011735300000000, -0.0000252200000000 ] - [ -0.0002053600000000, -0.0003162600000000, 0.0004200600000000 ] - [ -0.0001708800000000, -0.0076330800000000, -0.0047604500000000 ] - [ -0.0000207600000000, -0.0007935000000000, -0.0024794000000000 ] - [ 0.0000545600000000, -0.0007558200000000, 0.0004431800000000 ] - [ -0.0000250900000000, -0.0005315700000000, 0.0007083800000000 ] - [ 0.0000510300000000, -0.0006661600000000, -0.0015316800000000 ] - [ -0.0000496800000000, -0.0005504000000000, -0.0015721300000000 ] - [ -0.0041501300000000, 0.0014504200000000, -0.0036405100000000 ] - [ 0.0022537100000000, -0.0005446200000000, 0.0006346900000000 ] - [ -0.0009092600000000, -0.0014688000000000, -0.0008604700000000 ] - [ 0.0004830400000000, -0.0002199000000000, -0.0003067900000000 ] - [ -0.0487555700000000, -0.0590956100000000, 0.0427136100000000 ] - [ 0.0007962500000000, -0.0004662000000000, 0.0011894600000000 ] - [ -0.0055615400000000, -0.0052926300000000, 0.0056563100000000 ] - [ 0.0003238100000000, -0.0001734400000000, 0.0002881600000000 ] - [ 0.0005783900000000, -0.0008370200000000, -0.0080805100000000 ] - [ 0.0010746600000000, -0.0003806400000000, -0.0002240000000000 ] - [ 0.0002700000000000, -0.0006304200000000, 0.0000761700000000 ] - [ 0.0005023000000000, -0.0015625800000000, -0.0006378400000000 ] - [ 0.0014687300000000, -0.0032615600000000, 0.0023466300000000 ] - [ 0.0014073200000000, -0.0064155000000000, 0.0062739500000000 ] - [ -0.0012030500000000, -0.0008869300000000, -0.0006443800000000 ] - [ 0.0019522600000000, 0.0024876000000000, -0.0067313800000000 ] - [ -0.0000794500000000, -0.0008087400000000, -0.0006991800000000 ] - [ 0.0000535500000000, -0.0008632600000000, 0.0003111400000000 ] - [ 0.0113812300000000, 0.0152828100000000, -0.0036973000000000 ] - [ -0.0007291400000000, -0.0009006400000000, -0.0000702000000000 ] - [ -0.0000025800000000, 0.0001839000000000, -0.0003343900000000 ] - [ 0.0000057200000000, 0.0000922800000000, -0.0002273200000000 ] - [ -0.0002873600000000, 0.0011615200000000, -0.0026388600000000 ] - [ -0.0001668500000000, 0.0005890800000000, 0.0001437900000000 ] - [ 0.0007095300000000, 0.0000069400000000, -0.0009539100000000 ] - [ 0.0003171500000000, -0.0001417000000000, -0.0006124700000000 ] - [ 0.0006318800000000, -0.0004462300000000, -0.0009434800000000 ] - [ 0.0006962500000000, -0.0001681900000000, 0.0001719000000000 ] - [ -0.0006093000000000, -0.0000923500000000, -0.0010905900000000 ] - [ -0.0004061200000000, -0.0000617500000000, -0.0005540100000000 ] - [ 0.0005527600000000, -0.0001446700000000, 0.0004268600000000 ] - [ 0.0004825000000000, -0.0001449000000000, 0.0005034400000000 ] - [ -0.0000081000000000, -0.0006147100000000, -0.0003651900000000 ] - [ 0.0000145700000000, -0.0004311800000000, -0.0000403700000000 ] - [ -0.0009007600000000, -0.0006605200000000, -0.0005550100000000 ] - [ -0.0001317700000000, -0.0000327500000000, -0.0003641400000000 ] - [ -0.0006239200000000, -0.0001847600000000, 0.0003834000000000 ] - [ -0.0003974700000000, -0.0000994200000000, 0.0005524400000000 ] - [ -0.0001173500000000, 0.0007239500000000, 0.0002353400000000 ] - [ 0.0001007500000000, 0.0007321400000000, 0.0001639800000000 ] - [ -0.0011395200000000, 0.0012992900000000, 0.0035265000000000 ] - [ 0.0003910300000000, -0.0004430500000000, 0.0014415500000000 ] - [ 0.0003772600000000, 0.0003130400000000, -0.0001145300000000 ] - [ 0.0006658500000000, 0.0003358500000000, -0.0004217800000000 ] - [ 0.0010596300000000, 0.0018092300000000, 0.0004667100000000 ] - [ 0.0001335200000000, 0.0018108700000000, 0.0008359900000000 ] - [ 0.0000429400000000, 0.0037733800000000, 0.0000966200000000 ] - [ 0.0003218100000000, 0.0011912900000000, 0.0002567900000000 ] - [ 0.0005276000000000, 0.0008149000000000, 0.0005365400000000 ] - [ 0.0001393900000000, 0.0005802700000000, 0.0002754400000000 ] - [ -0.0008891700000000, 0.0005410800000000, -0.0003030500000000 ] - [ -0.0002102800000000, 0.0001449600000000, -0.0002807900000000 ] - [ -0.0011459300000000, 0.0023779800000000, 0.0003618600000000 ] - [ -0.0002053100000000, 0.0003561900000000, 0.0009645400000000 ] - [ -0.0004686200000000, 0.0012851500000000, 0.0008582400000000 ] - [ -0.0002697000000000, 0.0002582900000000, -0.0000692000000000 ] - [ -0.0000714300000000, -0.0005344200000000, 0.0004967200000000 ] - [ 0.0000663100000000, -0.0007764800000000, 0.0003294000000000 ] - [ 0.0033156300000000, 0.0086953100000000, 0.0033797600000000 ] - [ -0.0002638100000000, 0.0003683000000000, 0.0003672700000000 ] - [ -0.0000178400000000, 0.0001096300000000, -0.0002844000000000 ] - [ 0.0000144400000000, 0.0000149400000000, -0.0001917300000000 ] - [ 0.0001258700000000, 0.0005310100000000, 0.0008257600000000 ] - [ -0.0000305200000000, 0.0006474600000000, 0.0004953100000000 ] - [ 0.0004893300000000, 0.0000263200000000, -0.0003139400000000 ] - [ 0.0005496500000000, 0.0000040800000000, -0.0003660900000000 ] - [ 0.0001767200000000, 0.0005992000000000, -0.0001062300000000 ] - [ 0.0003541500000000, 0.0002760700000000, -0.0002387500000000 ] - [ -0.0005269500000000, 0.0000178700000000, -0.0003428000000000 ] - [ -0.0005140600000000, 0.0000131600000000, -0.0003373400000000 ] - [ 0.0003459200000000, -0.0000125600000000, 0.0006652100000000 ] - [ 0.0004470000000000, -0.0000432400000000, 0.0006706200000000 ] - [ -0.0000342700000000, -0.0000410100000000, -0.0000571800000000 ] - [ 0.0000287300000000, -0.0001774500000000, -0.0000002000000000 ] - [ -0.0002647600000000, 0.0004257500000000, -0.0002180600000000 ] - [ -0.0002875500000000, 0.0004619600000000, -0.0000878700000000 ] - [ -0.0003774500000000, -0.0000237000000000, 0.0006926600000000 ] - [ -0.0004156700000000, -0.0000315900000000, 0.0006464100000000 ] - [ -0.0000387100000000, 0.0008787500000000, 0.0004075500000000 ] - [ 0.0000385900000000, 0.0008589600000000, 0.0004991700000000 ]- atom: 61 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001814100000000, -0.0004136100000000, -0.0006233400000000 ] - [ 0.0001804200000000, -0.0003572000000000, -0.0006502500000000 ] - [ -0.0017158400000000, -0.0041721100000000, -0.0007927600000000 ] - [ 0.0007488100000000, -0.0010313000000000, 0.0003614100000000 ] - [ -0.0001097900000000, -0.0007926400000000, 0.0014034000000000 ] - [ 0.0000551300000000, -0.0003194400000000, 0.0008275700000000 ] - [ -0.0000841900000000, 0.0010546600000000, -0.0004030900000000 ] - [ 0.0000820000000000, 0.0010443900000000, -0.0003111500000000 ] - [ -0.0001734000000000, 0.0000351600000000, 0.0008964200000000 ] - [ 0.0002112000000000, 0.0001457000000000, 0.0006824300000000 ] - [ -0.0004495100000000, -0.0060783200000000, 0.0003129200000000 ] - [ 0.0021884300000000, -0.0006653300000000, 0.0004070300000000 ] - [ -0.0000563000000000, -0.0001041500000000, -0.0015627900000000 ] - [ 0.0000608100000000, -0.0000590000000000, -0.0011431600000000 ] - [ -0.0002278300000000, -0.0003125800000000, -0.0000145400000000 ] - [ 0.0002018300000000, -0.0002831900000000, -0.0001237400000000 ] - [ 0.0021287300000000, -0.0015866700000000, 0.0047320100000000 ] - [ 0.0001608100000000, -0.0005729400000000, -0.0003036200000000 ] - [ -0.0036977200000000, -0.0066896100000000, 0.0026312100000000 ] - [ -0.0001876800000000, -0.0008964900000000, 0.0000450300000000 ] - [ 0.0000072300000000, 0.0002187700000000, -0.0006007300000000 ] - [ 0.0000028300000000, -0.0000252700000000, -0.0005019900000000 ] - [ -0.0000578700000000, 0.0024208200000000, 0.0004743400000000 ] - [ 0.0000247500000000, 0.0009492000000000, 0.0005167500000000 ] - [ -0.0003202400000000, 0.0004504100000000, -0.0005842100000000 ] - [ 0.0003433500000000, 0.0002484000000000, 0.0000349100000000 ] - [ -0.0000287800000000, 0.0009084600000000, -0.0002944500000000 ] - [ 0.0000303400000000, 0.0009725400000000, -0.0002972800000000 ] - [ -0.0006855800000000, 0.0004180000000000, -0.0001829100000000 ] - [ 0.0006926700000000, 0.0003850000000000, -0.0000248600000000 ] - [ -0.0048297300000000, 0.0061006800000000, 0.0022258200000000 ] - [ 0.0010050200000000, -0.0007068400000000, 0.0007585700000000 ] - [ -0.0000442200000000, 0.0000678300000000, -0.0011027500000000 ] - [ 0.0000444600000000, 0.0000326400000000, -0.0011572800000000 ] - [ -0.0000569600000000, 0.0001315300000000, -0.0001201600000000 ] - [ 0.0000643400000000, -0.0000670000000000, 0.0001138900000000 ] - [ -0.0001189700000000, 0.0028142900000000, -0.0022202600000000 ] - [ -0.0000550400000000, 0.0005454600000000, -0.0005710300000000 ] - [ 0.0005276400000000, 0.0030107200000000, 0.0024872700000000 ] - [ -0.0003319200000000, 0.0004725900000000, -0.0005992700000000 ] - [ 0.0000000500000000, -0.0054138300000000, -0.0021664400000000 ] - [ 0.0003209400000000, -0.0005041800000000, 0.0003208800000000 ] - [ -0.0330906800000000, -0.0340301600000000, 0.0221567400000000 ] - [ 0.0009100200000000, -0.0016476100000000, -0.0009063700000000 ] - [ -0.0000845800000000, -0.0015508900000000, -0.0015450000000000 ] - [ 0.0001082300000000, -0.0007623500000000, 0.0003193600000000 ] - [ 0.0000287200000000, -0.0005700500000000, -0.0028880300000000 ] - [ 0.0000057500000000, -0.0005475400000000, -0.0023773700000000 ] - [ -0.0002774600000000, 0.0018280000000000, 0.0013015700000000 ] - [ 0.0002036800000000, 0.0009634200000000, 0.0008719600000000 ] - [ 0.0001640700000000, 0.0085342000000000, 0.0011165400000000 ] - [ 0.0000319300000000, 0.0017321600000000, -0.0011456300000000 ] - [ -0.0000497900000000, 0.0001001300000000, 0.0008654600000000 ] - [ 0.0000214200000000, -0.0001204300000000, 0.0006005400000000 ] - [ -0.0000487000000000, -0.0002724000000000, -0.0020713200000000 ] - [ 0.0000486200000000, -0.0003859400000000, -0.0020308900000000 ] - [ 0.0041100000000000, -0.0030580200000000, 0.0048759100000000 ] - [ -0.0022377600000000, -0.0010645500000000, 0.0006419700000000 ] - [ 0.0015237600000000, 0.0012894900000000, 0.0003645200000000 ] - [ 0.0001602100000000, 0.0000587800000000, -0.0001750100000000 ] - [ 0.0492750800000000, 0.0590140600000000, -0.0411958200000000 ] - [ -0.0000553700000000, 0.0005367400000000, 0.0004207600000000 ] - [ 0.0055596900000000, 0.0058986700000000, -0.0054130800000000 ] - [ -0.0003189400000000, 0.0008465000000000, -0.0000335000000000 ] - [ 0.0003935000000000, 0.0009264700000000, 0.0074551100000000 ] - [ -0.0000674200000000, 0.0004298900000000, -0.0003693200000000 ] - [ -0.0009021600000000, 0.0004650500000000, -0.0005515600000000 ] - [ -0.0011303600000000, 0.0013837500000000, 0.0001387400000000 ] - [ -0.0022167000000000, 0.0033285200000000, -0.0007259700000000 ] - [ -0.0020291100000000, 0.0064682700000000, -0.0046350000000000 ] - [ 0.0002128700000000, 0.0009429800000000, 0.0000529200000000 ] - [ -0.0028728800000000, -0.0024202900000000, 0.0059612800000000 ] - [ 0.0000732100000000, -0.0007099000000000, 0.0014572300000000 ] - [ -0.0000508500000000, -0.0006672300000000, 0.0004684000000000 ] - [ -0.0115780100000000, -0.0154521100000000, 0.0036865500000000 ] - [ 0.0007433800000000, 0.0008951500000000, -0.0000151200000000 ] - [ 0.0000018900000000, -0.0001658700000000, 0.0002434400000000 ] - [ -0.0000049100000000, -0.0000749100000000, 0.0001366200000000 ] - [ 0.0002860400000000, 0.0003709000000000, 0.0034069500000000 ] - [ 0.0001664800000000, 0.0009417700000000, 0.0006371000000000 ] - [ 0.0002891100000000, -0.0000548900000000, 0.0003509000000000 ] - [ 0.0006808700000000, 0.0000933300000000, 0.0000111600000000 ] - [ 0.0000053900000000, 0.0006064900000000, 0.0004533300000000 ] - [ -0.0000433200000000, 0.0003195600000000, -0.0006368200000000 ] - [ -0.0003897100000000, 0.0000436000000000, 0.0004837200000000 ] - [ -0.0005899500000000, 0.0000130600000000, -0.0000491300000000 ] - [ 0.0001771800000000, 0.0000767200000000, 0.0011797200000000 ] - [ 0.0002480300000000, 0.0000764500000000, 0.0011024200000000 ] - [ 0.0000076900000000, -0.0000604600000000, 0.0006097800000000 ] - [ -0.0000142200000000, -0.0002442400000000, 0.0002869800000000 ] - [ 0.0002519200000000, 0.0008156100000000, 0.0000828400000000 ] - [ -0.0005025500000000, 0.0001937000000000, -0.0001148000000000 ] - [ -0.0001079800000000, 0.0001162600000000, 0.0012253000000000 ] - [ -0.0003302500000000, 0.0000317700000000, 0.0010581000000000 ] - [ 0.0001148000000000, 0.0008841600000000, 0.0010380800000000 ] - [ -0.0000983400000000, 0.0008797200000000, 0.0011044100000000 ] - [ 0.0011466600000000, -0.0029153700000000, -0.0022710600000000 ] - [ -0.0003898200000000, -0.0011643100000000, -0.0001606200000000 ] - [ 0.0002658600000000, -0.0004667400000000, -0.0003585600000000 ] - [ -0.0000249300000000, -0.0004892700000000, -0.0000553300000000 ] - [ -0.0003187600000000, -0.0017396800000000, 0.0011376800000000 ] - [ 0.0005755900000000, -0.0017379200000000, 0.0007783200000000 ] - [ -0.0000459300000000, -0.0031027700000000, 0.0001796600000000 ] - [ -0.0003207200000000, -0.0005086400000000, -0.0000034900000000 ] - [ 0.0004764000000000, -0.0007679300000000, -0.0011213300000000 ] - [ 0.0008557700000000, -0.0005327900000000, -0.0008635000000000 ] - [ 0.0002441000000000, -0.0006931600000000, -0.0001658800000000 ] - [ -0.0004268100000000, -0.0002989500000000, -0.0001928900000000 ] - [ 0.0004128100000000, -0.0023035400000000, 0.0012472100000000 ] - [ -0.0005195500000000, -0.0002880200000000, 0.0006512400000000 ] - [ -0.0005358800000000, -0.0012384100000000, -0.0014413800000000 ] - [ -0.0007262900000000, -0.0002111900000000, -0.0005274000000000 ] - [ 0.0000695200000000, -0.0010084900000000, 0.0002930000000000 ] - [ -0.0000636200000000, -0.0007615200000000, 0.0004547000000000 ] - [ -0.0032589000000000, -0.0086293300000000, -0.0034424200000000 ] - [ 0.0002606000000000, -0.0003929000000000, -0.0004547300000000 ] - [ 0.0000178500000000, -0.0000879500000000, 0.0001900400000000 ] - [ -0.0000137000000000, 0.0000047200000000, 0.0001003900000000 ] - [ -0.0001277800000000, 0.0010090100000000, -0.0000444300000000 ] - [ 0.0000325900000000, 0.0008846800000000, 0.0002823600000000 ] - [ 0.0005085600000000, -0.0000737600000000, -0.0002881700000000 ] - [ 0.0004511000000000, -0.0000509400000000, -0.0002362200000000 ] - [ 0.0004577800000000, -0.0004364300000000, -0.0003799600000000 ] - [ 0.0002856900000000, -0.0001154900000000, -0.0002437600000000 ] - [ -0.0004695500000000, -0.0000656600000000, -0.0002625900000000 ] - [ -0.0004861400000000, -0.0000599300000000, -0.0002676600000000 ] - [ 0.0003830000000000, -0.0000551600000000, 0.0009424100000000 ] - [ 0.0002832300000000, -0.0000247000000000, 0.0009378700000000 ] - [ 0.0000339600000000, -0.0006349100000000, 0.0003024600000000 ] - [ -0.0000273000000000, -0.0004982100000000, 0.0002458300000000 ] - [ -0.0003687400000000, -0.0002637600000000, -0.0002647100000000 ] - [ -0.0003515900000000, -0.0003009200000000, -0.0003912100000000 ] - [ -0.0003514400000000, -0.0000438600000000, 0.0009190400000000 ] - [ -0.0003143700000000, -0.0000366600000000, 0.0009639500000000 ] - [ 0.0000378000000000, 0.0007271500000000, 0.0008662100000000 ] - [ -0.0000374400000000, 0.0007526700000000, 0.0007784500000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001683500000000, -0.0006279000000000, -0.0020512100000000 ] - [ 0.0002503000000000, -0.0005216500000000, -0.0012542500000000 ] - [ -0.0007258300000000, 0.0016804000000000, 0.0017075700000000 ] - [ 0.0014878800000000, -0.0008136500000000, 0.0009928800000000 ] - [ 0.0005882000000000, -0.0011336900000000, -0.0010635800000000 ] - [ -0.0005667400000000, -0.0009290600000000, 0.0005895500000000 ] - [ -0.0000932900000000, 0.0011686200000000, -0.0014119300000000 ] - [ 0.0000870900000000, 0.0011604800000000, -0.0010906600000000 ] - [ -0.0001217900000000, -0.0020290200000000, -0.0009780600000000 ] - [ 0.0000593300000000, -0.0001557900000000, 0.0003905900000000 ] - [ -0.0004783600000000, -0.0037423300000000, 0.0074635900000000 ] - [ 0.0021275500000000, 0.0004452800000000, 0.0017859900000000 ] - [ -0.0000755500000000, -0.0001864300000000, -0.0037270400000000 ] - [ 0.0000464300000000, -0.0000940800000000, -0.0022278500000000 ] - [ -0.0007229200000000, -0.0004258300000000, -0.0017203100000000 ] - [ 0.0008183200000000, -0.0004076800000000, -0.0017133000000000 ] - [ -0.0054643600000000, -0.0029599500000000, -0.0007572300000000 ] - [ 0.0032943400000000, -0.0013200900000000, -0.0000021700000000 ] - [ -0.0027377300000000, -0.0035779600000000, 0.0069973500000000 ] - [ 0.0000138300000000, -0.0010273300000000, 0.0026066600000000 ] - [ 0.0000908800000000, 0.0002107500000000, -0.0011955400000000 ] - [ -0.0000813800000000, 0.0000265500000000, -0.0009570200000000 ] - [ 0.0000445100000000, 0.0012189600000000, 0.0007724500000000 ] - [ -0.0001054500000000, 0.0008844200000000, 0.0014123700000000 ] - [ -0.0004084400000000, 0.0009849400000000, -0.0009591000000000 ] - [ 0.0004438500000000, 0.0003951200000000, -0.0000198300000000 ] - [ -0.0000283800000000, 0.0009810000000000, -0.0012775200000000 ] - [ 0.0000282700000000, 0.0010406300000000, -0.0012133500000000 ] - [ -0.0018991100000000, 0.0013017200000000, -0.0008886400000000 ] - [ 0.0016455900000000, 0.0010386400000000, -0.0005673300000000 ] - [ -0.0015310800000000, -0.0015055900000000, 0.0062005300000000 ] - [ 0.0008024900000000, -0.0006105500000000, 0.0018665000000000 ] - [ -0.0001579000000000, -0.0000228700000000, -0.0021120000000000 ] - [ 0.0001566500000000, -0.0000586900000000, -0.0021370500000000 ] - [ -0.0000524700000000, 0.0006548200000000, -0.0012283000000000 ] - [ 0.0000604100000000, 0.0000747000000000, -0.0006784600000000 ] - [ -0.0001612200000000, 0.0030311900000000, -0.0005782700000000 ] - [ 0.0003069800000000, 0.0002841000000000, 0.0001759000000000 ] - [ -0.0011475700000000, -0.0003694200000000, 0.0025569900000000 ] - [ 0.0007845200000000, -0.0000776400000000, 0.0003134900000000 ] - [ 0.0012380300000000, -0.0008670500000000, -0.0113251300000000 ] - [ -0.0001484700000000, 0.0004120900000000, 0.0011705300000000 ] - [ -0.0650066100000000, -0.0235335600000000, 0.0683592000000000 ] - [ 0.0023577500000000, -0.0000633700000000, 0.0024415100000000 ] - [ 0.0018454800000000, 0.0001699400000000, -0.0040849500000000 ] - [ -0.0025424600000000, 0.0013310500000000, -0.0020726500000000 ] - [ 0.0000267700000000, -0.0004462800000000, -0.0051560900000000 ] - [ 0.0000268300000000, -0.0004600200000000, -0.0046462200000000 ] - [ -0.0010467700000000, 0.0001658800000000, 0.0016407300000000 ] - [ 0.0010211300000000, 0.0004131700000000, 0.0007995900000000 ] - [ -0.0008838200000000, 0.0028799500000000, 0.0019107600000000 ] - [ 0.0008303500000000, 0.0007990200000000, 0.0004513600000000 ] - [ -0.0005328000000000, -0.0012324800000000, -0.0011959900000000 ] - [ 0.0005461500000000, -0.0001831000000000, -0.0003297200000000 ] - [ -0.0001245500000000, -0.0000986100000000, -0.0040812100000000 ] - [ 0.0001342800000000, -0.0002997400000000, -0.0035060800000000 ] - [ 0.0043761300000000, -0.0071640700000000, 0.0011004800000000 ] - [ -0.0030643300000000, -0.0012596100000000, -0.0000301600000000 ] - [ 0.0024689700000000, 0.0018148500000000, 0.0029490700000000 ] - [ -0.0002024900000000, -0.0001338200000000, 0.0000065400000000 ] - [ 0.0861289700000000, 0.0424176300000000, -0.1013052500000000 ] - [ -0.0007243900000000, 0.0004146600000000, -0.0002769000000000 ] - [ -0.0067687400000000, 0.0091578600000000, 0.0118653000000000 ] - [ -0.0000723200000000, 0.0000669300000000, -0.0011580000000000 ] - [ 0.0009909200000000, -0.0069866800000000, 0.0142850300000000 ] - [ -0.0005533000000000, 0.0001633400000000, -0.0013690000000000 ] - [ 0.0004026100000000, -0.0002825500000000, 0.0002578800000000 ] - [ -0.0031332800000000, 0.0019883600000000, 0.0034468800000000 ] - [ -0.0039311800000000, 0.0015640200000000, -0.0039057500000000 ] - [ -0.0078929900000000, 0.0055185300000000, -0.0144848700000000 ] - [ 0.0004947100000000, -0.0001264900000000, -0.0013788000000000 ] - [ -0.0060042000000000, -0.0033914000000000, 0.0112502200000000 ] - [ -0.0001856700000000, -0.0032828700000000, 0.0043790600000000 ] - [ -0.0000055700000000, -0.0008255600000000, 0.0007230000000000 ] - [ 0.0017833900000000, -0.0109174800000000, -0.0098368700000000 ] - [ -0.0005100300000000, -0.0000630700000000, -0.0009963500000000 ] - [ 0.0000058400000000, -0.0005235800000000, 0.0010201900000000 ] - [ -0.0000068300000000, -0.0004184400000000, 0.0008901100000000 ] - [ 0.0001262900000000, 0.0004316200000000, 0.0037497700000000 ] - [ 0.0003602400000000, 0.0002531200000000, -0.0000828900000000 ] - [ -0.0000419500000000, -0.0002493100000000, 0.0015131700000000 ] - [ 0.0006700200000000, -0.0002366400000000, 0.0011277000000000 ] - [ -0.0006707300000000, 0.0004297900000000, 0.0006985600000000 ] - [ 0.0056538600000000, -0.0022858600000000, 0.0055146300000000 ] - [ -0.0003712800000000, -0.0002552400000000, 0.0016535300000000 ] - [ -0.0001862400000000, -0.0001279700000000, 0.0012709100000000 ] - [ -0.0001546100000000, 0.0002661100000000, 0.0021648100000000 ] - [ -0.0002193100000000, 0.0003431700000000, 0.0021647400000000 ] - [ -0.0001507600000000, -0.0002389400000000, 0.0017495200000000 ] - [ 0.0002072800000000, -0.0002620500000000, 0.0013974500000000 ] - [ -0.0020160300000000, -0.0008567200000000, 0.0033575200000000 ] - [ 0.0001096300000000, 0.0003433900000000, -0.0002346500000000 ] - [ 0.0003770700000000, 0.0003877900000000, 0.0023069100000000 ] - [ -0.0000146900000000, 0.0002195300000000, 0.0020676000000000 ] - [ 0.0003627400000000, 0.0007382000000000, 0.0021707500000000 ] - [ -0.0003922500000000, 0.0007094700000000, 0.0021927400000000 ] - [ -0.0013253200000000, 0.0017962400000000, -0.0000586300000000 ] - [ 0.0000071100000000, -0.0010542000000000, -0.0011163100000000 ] - [ 0.0006511900000000, -0.0003574300000000, -0.0001896900000000 ] - [ -0.0001073800000000, -0.0006455000000000, 0.0000524900000000 ] - [ 0.0005799200000000, 0.0000630100000000, -0.0003727500000000 ] - [ 0.0005726800000000, -0.0003018500000000, -0.0003723500000000 ] - [ 0.0005718400000000, -0.0000866200000000, -0.0015099800000000 ] - [ -0.0004745400000000, -0.0004879300000000, -0.0004407800000000 ] - [ 0.0006911600000000, 0.0001142100000000, -0.0014941200000000 ] - [ -0.0001351300000000, 0.0004296400000000, -0.0009624300000000 ] - [ 0.0002916600000000, -0.0007786000000000, -0.0001407600000000 ] - [ -0.0008135300000000, -0.0002589000000000, 0.0000046800000000 ] - [ 0.0001915000000000, -0.0004083900000000, -0.0003050500000000 ] - [ -0.0012807600000000, 0.0001894400000000, -0.0004093500000000 ] - [ 0.0005299300000000, 0.0006283300000000, -0.0015237600000000 ] - [ -0.0009880300000000, 0.0000100900000000, -0.0009502000000000 ] - [ 0.0003205200000000, -0.0000913000000000, 0.0005967100000000 ] - [ -0.0003349600000000, -0.0003836800000000, 0.0007392700000000 ] - [ 0.0001787000000000, -0.0028016900000000, -0.0055423500000000 ] - [ -0.0003672000000000, 0.0000895500000000, -0.0013611500000000 ] - [ 0.0000253500000000, -0.0005328400000000, 0.0012607400000000 ] - [ -0.0000275700000000, -0.0002540200000000, 0.0007698200000000 ] - [ 0.0001001900000000, 0.0035891500000000, 0.0018325100000000 ] - [ -0.0002386600000000, 0.0011664300000000, 0.0005242200000000 ] - [ 0.0005856700000000, 0.0000484900000000, 0.0007597800000000 ] - [ 0.0004223500000000, -0.0000406100000000, 0.0004044400000000 ] - [ 0.0005712400000000, -0.0002716800000000, 0.0000087900000000 ] - [ 0.0001700800000000, -0.0001146300000000, -0.0002490400000000 ] - [ -0.0007317100000000, 0.0000597100000000, 0.0004765200000000 ] - [ -0.0002763400000000, -0.0000404700000000, 0.0006970700000000 ] - [ 0.0000978000000000, 0.0001052000000000, 0.0017639800000000 ] - [ 0.0000002300000000, 0.0001008600000000, 0.0015840400000000 ] - [ 0.0000795800000000, -0.0005733500000000, 0.0012486300000000 ] - [ -0.0000796800000000, -0.0005778500000000, 0.0008171300000000 ] - [ -0.0008378100000000, -0.0002994100000000, 0.0002104000000000 ] - [ 0.0000848300000000, -0.0000975700000000, -0.0004440100000000 ] - [ -0.0000994400000000, 0.0000802200000000, 0.0015684800000000 ] - [ -0.0000015100000000, 0.0001253900000000, 0.0017829400000000 ] - [ 0.0000336300000000, 0.0008170000000000, 0.0022240000000000 ] - [ -0.0000337900000000, 0.0007335400000000, 0.0015034300000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001682000000000, 0.0003356900000000, 0.0012517700000000 ] - [ -0.0002502500000000, 0.0002296100000000, 0.0004436100000000 ] - [ 0.0004569000000000, -0.0014440700000000, -0.0014869600000000 ] - [ -0.0014937500000000, 0.0011432200000000, -0.0004119800000000 ] - [ -0.0005959000000000, 0.0008480000000000, 0.0022528400000000 ] - [ 0.0005732500000000, 0.0006410300000000, 0.0005932500000000 ] - [ 0.0000924500000000, 0.0007622000000000, 0.0012719700000000 ] - [ -0.0000867300000000, 0.0007704700000000, 0.0009473300000000 ] - [ 0.0001223200000000, 0.0023241100000000, 0.0021612000000000 ] - [ -0.0000598900000000, 0.0004543700000000, 0.0007946800000000 ] - [ 0.0005189000000000, 0.0017565600000000, -0.0076415300000000 ] - [ -0.0021399800000000, -0.0023853400000000, -0.0019502200000000 ] - [ 0.0000753300000000, 0.0002148000000000, 0.0019447700000000 ] - [ -0.0000463200000000, 0.0001223400000000, 0.0004439700000000 ] - [ 0.0007233700000000, 0.0001032500000000, 0.0023233700000000 ] - [ -0.0008187600000000, 0.0000864900000000, 0.0023167600000000 ] - [ 0.0054989900000000, 0.0032853800000000, 0.0000188800000000 ] - [ -0.0032960100000000, 0.0016248900000000, -0.0008114800000000 ] - [ 0.0029603200000000, 0.0037763800000000, -0.0089779300000000 ] - [ -0.0000084000000000, 0.0010021800000000, -0.0044263800000000 ] - [ -0.0000933700000000, -0.0005064800000000, 0.0003843700000000 ] - [ 0.0000814400000000, -0.0003242100000000, 0.0001456400000000 ] - [ -0.0000440900000000, -0.0009088700000000, -0.0001873300000000 ] - [ 0.0001062100000000, -0.0005671900000000, -0.0008281500000000 ] - [ 0.0004083700000000, -0.0012910500000000, 0.0021475400000000 ] - [ -0.0004461200000000, -0.0006958900000000, 0.0012020400000000 ] - [ 0.0000273700000000, 0.0009518200000000, 0.0011352400000000 ] - [ -0.0000269800000000, 0.0008926900000000, 0.0010705800000000 ] - [ 0.0018976600000000, -0.0010040100000000, 0.0020750900000000 ] - [ -0.0016510100000000, -0.0007442900000000, 0.0017627000000000 ] - [ 0.0015033900000000, -0.0003722700000000, -0.0063637800000000 ] - [ -0.0008036200000000, -0.0013238000000000, -0.0020272800000000 ] - [ 0.0001588500000000, 0.0000494900000000, 0.0003268600000000 ] - [ -0.0001573200000000, 0.0000849700000000, 0.0003515600000000 ] - [ 0.0000533100000000, -0.0009776000000000, 0.0018311400000000 ] - [ -0.0000602500000000, -0.0003989300000000, 0.0012798700000000 ] - [ 0.0001669300000000, -0.0027473900000000, -0.0002224500000000 ] - [ -0.0003048400000000, 0.0000053100000000, -0.0009874700000000 ] - [ 0.0011497000000000, 0.0003447500000000, -0.0043871000000000 ] - [ -0.0007831300000000, 0.0000478900000000, -0.0021184400000000 ] - [ -0.0011650300000000, 0.0015533900000000, 0.0126459100000000 ] - [ 0.0001468300000000, 0.0002442600000000, 0.0001481900000000 ] - [ 0.0620953200000000, 0.0232662100000000, -0.0707648400000000 ] - [ -0.0023482500000000, 0.0010042500000000, -0.0060507300000000 ] - [ -0.0018648500000000, -0.0008366500000000, 0.0054187200000000 ] - [ 0.0025646400000000, -0.0019968700000000, 0.0033994000000000 ] - [ -0.0000271000000000, -0.0004914900000000, 0.0015603200000000 ] - [ -0.0000264900000000, -0.0004782000000000, 0.0010524900000000 ] - [ 0.0010513100000000, 0.0004801500000000, -0.0003223300000000 ] - [ -0.0010238500000000, 0.0002324100000000, 0.0005113500000000 ] - [ 0.0008886300000000, -0.0019513700000000, -0.0055283000000000 ] - [ -0.0008371100000000, 0.0001290100000000, -0.0040688800000000 ] - [ 0.0005337200000000, 0.0005981300000000, 0.0025147900000000 ] - [ -0.0005462500000000, -0.0004660800000000, 0.0016360900000000 ] - [ 0.0001253200000000, -0.0008384400000000, 0.0004814600000000 ] - [ -0.0001342300000000, -0.0006364600000000, -0.0000970600000000 ] - [ -0.0043932200000000, 0.0056122600000000, 0.0001983500000000 ] - [ 0.0030829400000000, -0.0003499600000000, 0.0013139500000000 ] - [ -0.0018405300000000, -0.0019808400000000, -0.0034305700000000 ] - [ 0.0008376200000000, -0.0000288500000000, -0.0004897000000000 ] - [ -0.0826146300000000, -0.0415029000000000, 0.1021912800000000 ] - [ 0.0014603400000000, -0.0003503400000000, 0.0018899600000000 ] - [ 0.0066844200000000, -0.0083971500000000, -0.0115339800000000 ] - [ 0.0000722200000000, 0.0006106000000000, 0.0014083400000000 ] - [ 0.0000067200000000, 0.0069359900000000, -0.0147477400000000 ] - [ 0.0015608100000000, -0.0001194200000000, 0.0007712200000000 ] - [ -0.0010351100000000, 0.0001194600000000, -0.0007369200000000 ] - [ 0.0024884600000000, -0.0021568900000000, -0.0039230200000000 ] - [ 0.0031694300000000, -0.0015053100000000, 0.0055259000000000 ] - [ 0.0072346900000000, -0.0053878700000000, 0.0160281400000000 ] - [ -0.0015002300000000, 0.0001694300000000, 0.0007741600000000 ] - [ 0.0050585600000000, 0.0034610300000000, -0.0119134600000000 ] - [ 0.0001765700000000, 0.0017508600000000, -0.0035998600000000 ] - [ 0.0000072400000000, -0.0007060200000000, 0.0000537600000000 ] - [ -0.0016983300000000, 0.0109707500000000, 0.0097065400000000 ] - [ 0.0005038500000000, 0.0000391600000000, 0.0009091500000000 ] - [ -0.0000060500000000, 0.0005488900000000, -0.0011166200000000 ] - [ 0.0000069800000000, 0.0004432900000000, -0.0009864400000000 ] - [ -0.0001245400000000, 0.0011051000000000, -0.0029664000000000 ] - [ -0.0003620500000000, 0.0012913200000000, 0.0008736600000000 ] - [ 0.0010489100000000, 0.0002056000000000, -0.0021196000000000 ] - [ 0.0003342900000000, 0.0001954100000000, -0.0017356900000000 ] - [ 0.0013160200000000, -0.0002737200000000, -0.0011793600000000 ] - [ -0.0050627000000000, 0.0024708700000000, -0.0060528100000000 ] - [ -0.0006313000000000, 0.0002122500000000, -0.0022628900000000 ] - [ -0.0008214800000000, 0.0000843200000000, -0.0018828800000000 ] - [ 0.0008923500000000, -0.0003360000000000, -0.0005668600000000 ] - [ 0.0009557400000000, -0.0004126700000000, -0.0005665600000000 ] - [ 0.0001527400000000, -0.0004432400000000, -0.0015065000000000 ] - [ -0.0002097500000000, -0.0004206300000000, -0.0011566400000000 ] - [ 0.0014012000000000, 0.0010287700000000, -0.0038634700000000 ] - [ -0.0007561700000000, -0.0001896400000000, -0.0002361700000000 ] - [ -0.0011140200000000, -0.0004570700000000, -0.0007054600000000 ] - [ -0.0007222100000000, -0.0002892700000000, -0.0004659700000000 ] - [ -0.0003633200000000, 0.0008705900000000, -0.0009000300000000 ] - [ 0.0003920400000000, 0.0009020600000000, -0.0009257900000000 ] - [ 0.0013356400000000, -0.0034173600000000, 0.0013620300000000 ] - [ -0.0000098500000000, -0.0005624300000000, 0.0024089600000000 ] - [ -0.0000136900000000, 0.0001993500000000, -0.0002915100000000 ] - [ 0.0007480600000000, 0.0004909300000000, -0.0005336400000000 ] - [ 0.0001515600000000, 0.0000084300000000, 0.0019847300000000 ] - [ 0.0001663400000000, 0.0003712700000000, 0.0019856500000000 ] - [ -0.0005726900000000, 0.0007844400000000, 0.0017498100000000 ] - [ 0.0004774100000000, 0.0011755300000000, 0.0006898600000000 ] - [ 0.0003113600000000, -0.0000666100000000, 0.0008945100000000 ] - [ 0.0011427800000000, -0.0003831600000000, 0.0003621200000000 ] - [ -0.0009320600000000, 0.0006217600000000, -0.0003388100000000 ] - [ 0.0001763600000000, 0.0001039200000000, -0.0004804900000000 ] - [ -0.0009283900000000, 0.0004793300000000, 0.0019203400000000 ] - [ 0.0005502900000000, -0.0001210900000000, 0.0020250600000000 ] - [ -0.0015376000000000, -0.0005802700000000, 0.0009204400000000 ] - [ -0.0000138200000000, 0.0000366300000000, 0.0003489400000000 ] - [ -0.0003213600000000, -0.0014416400000000, 0.0001836300000000 ] - [ 0.0003362800000000, -0.0011504500000000, 0.0000413900000000 ] - [ -0.0001973500000000, 0.0027695300000000, 0.0054716800000000 ] - [ 0.0003701500000000, -0.0001054100000000, 0.0012789400000000 ] - [ -0.0000251700000000, 0.0005560400000000, -0.0013576700000000 ] - [ 0.0000278300000000, 0.0002753500000000, -0.0008637800000000 ] - [ -0.0000971900000000, -0.0020822700000000, -0.0010607900000000 ] - [ 0.0002392200000000, 0.0003674800000000, 0.0002622300000000 ] - [ 0.0004210400000000, -0.0000934200000000, -0.0013629700000000 ] - [ 0.0005813000000000, -0.0000049800000000, -0.0010057200000000 ] - [ 0.0000720200000000, 0.0004273600000000, -0.0004823200000000 ] - [ 0.0004693200000000, 0.0002733300000000, -0.0002265000000000 ] - [ -0.0002702500000000, -0.0001053800000000, -0.0010804500000000 ] - [ -0.0007306000000000, -0.0000048400000000, -0.0013034800000000 ] - [ 0.0006393700000000, -0.0001751300000000, -0.0001649200000000 ] - [ 0.0007344700000000, -0.0001696700000000, 0.0000177500000000 ] - [ -0.0000794700000000, -0.0001101500000000, -0.0010048400000000 ] - [ 0.0000803500000000, -0.0001019100000000, -0.0005703800000000 ] - [ 0.0001999000000000, 0.0004583500000000, -0.0006830600000000 ] - [ -0.0007282900000000, 0.0002530500000000, -0.0000249700000000 ] - [ -0.0006350300000000, -0.0001490100000000, 0.0000363400000000 ] - [ -0.0007359000000000, -0.0001953600000000, -0.0001808900000000 ] - [ -0.0000339200000000, 0.0007899600000000, -0.0009534200000000 ] - [ 0.0000339400000000, 0.0008795700000000, -0.0002320000000000 ]- atom: 63 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001316700000000, -0.0001478500000000, -0.0004078300000000 ] - [ -0.0001399100000000, -0.0001479500000000, -0.0004086500000000 ] - [ 0.0007734200000000, 0.0001637600000000, 0.0002915500000000 ] - [ -0.0003276500000000, 0.0001615000000000, 0.0003018400000000 ] - [ -0.0000009300000000, -0.0001539100000000, 0.0007737600000000 ] - [ -0.0000037800000000, -0.0001426800000000, 0.0004073800000000 ] - [ 0.0001446300000000, 0.0009654800000000, -0.0000725500000000 ] - [ -0.0001501200000000, 0.0009666300000000, -0.0000750200000000 ] - [ 0.0033246900000000, 0.0001536500000000, 0.0005948300000000 ] - [ -0.0011662700000000, 0.0001433400000000, 0.0005854300000000 ] - [ -0.0009425100000000, -0.0000685400000000, 0.0011613800000000 ] - [ -0.0009623600000000, -0.0018638900000000, -0.0013061400000000 ] - [ 0.0006866700000000, 0.0000146900000000, -0.0008941700000000 ] - [ -0.0004579400000000, 0.0000119900000000, -0.0009003500000000 ] - [ -0.0004775600000000, -0.0002345300000000, -0.0008404500000000 ] - [ -0.0004831400000000, -0.0000865800000000, 0.0014299200000000 ] - [ -0.0063522800000000, -0.0004828900000000, -0.0012978800000000 ] - [ -0.0065410900000000, 0.0007967500000000, 0.0004976400000000 ] - [ -0.0004895400000000, -0.0003266700000000, 0.0003571200000000 ] - [ -0.0004989000000000, 0.0003084800000000, -0.0021446300000000 ] - [ 0.0000001000000000, -0.0001789100000000, -0.0004115400000000 ] - [ -0.0000013300000000, -0.0001182900000000, -0.0004061100000000 ] - [ 0.0000116600000000, 0.0001389800000000, 0.0006993600000000 ] - [ 0.0000073900000000, 0.0001802700000000, -0.0000987600000000 ] - [ 0.0001220300000000, -0.0001489800000000, 0.0005900000000000 ] - [ -0.0001274000000000, -0.0001485700000000, 0.0005910900000000 ] - [ 0.0000015500000000, 0.0010492000000000, -0.0002802300000000 ] - [ 0.0000010200000000, 0.0008845600000000, 0.0001292500000000 ] - [ -0.0008503600000000, 0.0007702600000000, -0.0007482600000000 ] - [ -0.0008634100000000, -0.0004689400000000, 0.0019303200000000 ] - [ 0.0037572400000000, -0.0009699100000000, -0.0000608900000000 ] - [ -0.0012216600000000, -0.0009707300000000, -0.0000687900000000 ] - [ 0.0000035300000000, -0.0000885300000000, -0.0012717900000000 ] - [ -0.0000011800000000, 0.0001103900000000, -0.0005243900000000 ] - [ 0.0004889600000000, -0.0001634500000000, 0.0002992800000000 ] - [ -0.0004722200000000, -0.0001603500000000, 0.0002967500000000 ] - [ 0.0023730400000000, 0.0001392500000000, -0.0004005600000000 ] - [ -0.0010530700000000, 0.0001480800000000, -0.0004075800000000 ] - [ 0.0005559400000000, -0.0000195700000000, -0.0009086100000000 ] - [ -0.0005179900000000, -0.0000122600000000, -0.0008932800000000 ] - [ 0.0230482600000000, 0.0003380000000000, 0.0006893000000000 ] - [ -0.0040488500000000, 0.0003391400000000, 0.0006483800000000 ] - [ 0.0211536800000000, 0.0005544800000000, -0.0016724400000000 ] - [ -0.0029230600000000, 0.0004844100000000, -0.0017910800000000 ] - [ 0.0000278500000000, -0.0002778300000000, 0.0007533300000000 ] - [ 0.0000232500000000, -0.0003727100000000, 0.0005549600000000 ] - [ 0.0000219600000000, -0.0004974700000000, -0.0020162800000000 ] - [ 0.0000190300000000, -0.0004401600000000, -0.0016002100000000 ] - [ -0.0008282700000000, -0.0007493400000000, -0.0007667000000000 ] - [ -0.0008389000000000, 0.0013815400000000, 0.0020660100000000 ] - [ -0.0005625800000000, -0.0011008900000000, -0.0007026000000000 ] - [ -0.0005746100000000, 0.0020122700000000, -0.0029015300000000 ] - [ 0.0002617900000000, -0.0003246100000000, 0.0006512900000000 ] - [ -0.0002728400000000, -0.0003242000000000, 0.0006534300000000 ] - [ 0.0002327000000000, -0.0004677500000000, -0.0018081100000000 ] - [ -0.0002319100000000, -0.0004674000000000, -0.0018083300000000 ] - [ -0.0003571900000000, -0.0008065300000000, 0.0006409100000000 ] - [ 0.0003948800000000, -0.0008053100000000, 0.0006362900000000 ] - [ -0.0012711100000000, -0.0038962400000000, 0.0082398400000000 ] - [ 0.0024348900000000, 0.0008734800000000, -0.0009604000000000 ] - [ -0.0016983700000000, -0.0055437500000000, -0.0059333700000000 ] - [ 0.0017923200000000, 0.0003534400000000, 0.0007247900000000 ] - [ -0.0422522300000000, 0.0002316000000000, -0.0000870900000000 ] - [ 0.0033905000000000, 0.0003262900000000, 0.0001179800000000 ] - [ 0.0019141300000000, -0.0187107800000000, 0.0042064300000000 ] - [ 0.0025839500000000, 0.0002385000000000, -0.0004357300000000 ] - [ 0.0018108000000000, -0.0010463200000000, 0.0004993800000000 ] - [ -0.0018678000000000, 0.0037067000000000, -0.0086617700000000 ] - [ 0.0010563100000000, -0.0002898400000000, 0.0008710400000000 ] - [ -0.0023669800000000, 0.0055776200000000, 0.0075208000000000 ] - [ 0.0015892000000000, -0.0002062500000000, -0.0001616700000000 ] - [ 0.0009765000000000, 0.0186476700000000, -0.0048075100000000 ] - [ 0.0002073500000000, -0.0007291400000000, 0.0003600200000000 ] - [ 0.0006471500000000, -0.0007695800000000, 0.0003934300000000 ] - [ 0.0029867700000000, 0.0001042400000000, -0.0000305300000000 ] - [ 0.0006240000000000, -0.0000156600000000, -0.0000492100000000 ] - [ -0.0000021700000000, 0.0000025600000000, 0.0000740800000000 ] - [ -0.0000006000000000, 0.0000126100000000, -0.0001626000000000 ] - [ -0.0000106400000000, 0.0007419800000000, 0.0001603400000000 ] - [ -0.0000099000000000, 0.0007919100000000, 0.0006222000000000 ] - [ 0.0005607300000000, 0.0000044600000000, -0.0002673600000000 ] - [ 0.0004315000000000, -0.0000492600000000, -0.0003196000000000 ] - [ 0.0004174700000000, 0.0000654700000000, -0.0002815000000000 ] - [ 0.0001073500000000, 0.0001465600000000, -0.0003065100000000 ] - [ -0.0005677700000000, 0.0000026800000000, -0.0002803600000000 ] - [ -0.0004356700000000, -0.0000523900000000, -0.0003319000000000 ] - [ 0.0004680000000000, -0.0000470700000000, 0.0010148600000000 ] - [ 0.0002517900000000, -0.0000250000000000, 0.0006537300000000 ] - [ -0.0000034700000000, -0.0003352700000000, 0.0001665100000000 ] - [ -0.0000031600000000, -0.0003395600000000, 0.0000819400000000 ] - [ -0.0005307700000000, 0.0000133300000000, -0.0001694300000000 ] - [ -0.0002153200000000, 0.0000965500000000, -0.0001984200000000 ] - [ -0.0004776300000000, -0.0000406200000000, 0.0009586900000000 ] - [ -0.0002570400000000, -0.0000180800000000, 0.0005998100000000 ] - [ 0.0001019600000000, 0.0006638400000000, 0.0013482000000000 ] - [ 0.0001056900000000, 0.0009430100000000, -0.0000695300000000 ] - [ 0.0000229000000000, -0.0010275200000000, 0.0000850800000000 ] - [ 0.0000289900000000, -0.0005816300000000, 0.0011949800000000 ] - [ 0.0010068400000000, 0.0001697800000000, 0.0001253500000000 ] - [ -0.0002206600000000, -0.0001934400000000, -0.0007153200000000 ] - [ 0.0011247000000000, 0.0003569200000000, 0.0003265900000000 ] - [ -0.0005209800000000, 0.0000831800000000, 0.0013742300000000 ] - [ 0.0004665400000000, 0.0002539900000000, 0.0000689200000000 ] - [ 0.0004702500000000, 0.0004298500000000, 0.0001773900000000 ] - [ 0.0011449500000000, 0.0005278700000000, -0.0002323000000000 ] - [ 0.0009804600000000, -0.0025307700000000, -0.0006874800000000 ] - [ -0.0008685100000000, 0.0000408600000000, 0.0002414900000000 ] - [ 0.0003725700000000, -0.0003278700000000, -0.0006003700000000 ] - [ -0.0012650000000000, -0.0000053200000000, 0.0002295300000000 ] - [ 0.0003976400000000, -0.0002861300000000, 0.0012815000000000 ] - [ -0.0000243600000000, 0.0025952500000000, 0.0000884400000000 ] - [ 0.0001522000000000, -0.0004667200000000, -0.0003681200000000 ] - [ 0.0001258500000000, -0.0003397700000000, 0.0009455700000000 ] - [ 0.0001299200000000, -0.0011867700000000, -0.0001578800000000 ] - [ 0.0004879700000000, 0.0014931900000000, -0.0012360500000000 ] - [ 0.0004895200000000, -0.0014895300000000, 0.0011287200000000 ] - [ -0.0000372300000000, 0.0000075400000000, -0.0000449500000000 ] - [ 0.0000794900000000, 0.0000075600000000, -0.0000434300000000 ] - [ -0.0000756400000000, 0.0007660200000000, 0.0003933000000000 ] - [ 0.0000795000000000, 0.0007653400000000, 0.0003896800000000 ] - [ 0.0003883900000000, -0.0000645300000000, -0.0002859600000000 ] - [ 0.0006071000000000, 0.0000130200000000, -0.0003033700000000 ] - [ 0.0001481600000000, 0.0001336200000000, -0.0003481300000000 ] - [ 0.0004883400000000, 0.0000279200000000, -0.0001170000000000 ] - [ -0.0003904100000000, -0.0000604300000000, -0.0002937900000000 ] - [ -0.0006082400000000, 0.0000162100000000, -0.0003105000000000 ] - [ 0.0002021400000000, 0.0000006000000000, 0.0008837100000000 ] - [ 0.0005241600000000, -0.0000616900000000, 0.0007252300000000 ] - [ -0.0000472200000000, -0.0003383100000000, 0.0001252900000000 ] - [ 0.0000508900000000, -0.0003378900000000, 0.0001252900000000 ] - [ -0.0001468200000000, 0.0001340400000000, -0.0003616900000000 ] - [ -0.0004845400000000, 0.0000287400000000, -0.0001278600000000 ] - [ -0.0002056300000000, -0.0000053200000000, 0.0008865900000000 ] - [ -0.0005257300000000, -0.0000677900000000, 0.0007262700000000 ] - [ -0.0001577800000000, 0.0008038000000000, 0.0006346700000000 ] - [ 0.0002954200000000, 0.0008075700000000, 0.0006417500000000 ]- atom: 63 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0000381600000000, -0.0005106000000000 ] - [ 0.0000000000000000, -0.0001396400000000, -0.0004635400000000 ] - [ 0.0000000000000000, 0.0019798900000000, -0.0023819500000000 ] - [ 0.0000000000000000, 0.0003054400000000, 0.0001458300000000 ] - [ 0.0001098100000000, -0.0001118500000000, 0.0001932300000000 ] - [ -0.0001098100000000, -0.0001118500000000, 0.0001932300000000 ] - [ 0.0000000000000000, 0.0012293400000000, -0.0007162100000000 ] - [ 0.0000000000000000, 0.0010653500000000, -0.0002782100000000 ] - [ 0.0000000000000000, -0.0024579000000000, -0.0093593700000000 ] - [ 0.0000000000000000, 0.0004049100000000, 0.0002549800000000 ] - [ 0.0030609300000000, -0.0028787500000000, -0.0010985200000000 ] - [ -0.0030609300000000, -0.0028787500000000, -0.0010985200000000 ] - [ 0.0000000000000000, 0.0005880200000000, 0.0002453800000000 ] - [ 0.0000000000000000, 0.0000791500000000, -0.0009171600000000 ] - [ 0.0001156400000000, 0.0006029400000000, 0.0001912700000000 ] - [ -0.0001156400000000, 0.0006029400000000, 0.0001912700000000 ] - [ -0.0042358000000000, 0.0056871400000000, -0.0009154800000000 ] - [ 0.0042358000000000, 0.0056871400000000, -0.0009154800000000 ] - [ 0.0003554600000000, 0.0019739500000000, -0.0011330600000000 ] - [ -0.0003554600000000, 0.0019739500000000, -0.0011330600000000 ] - [ -0.0000125800000000, -0.0002142100000000, -0.0005227300000000 ] - [ 0.0000125800000000, -0.0002142100000000, -0.0005227300000000 ] - [ -0.0000456400000000, -0.0004640900000000, 0.0009013400000000 ] - [ 0.0000456400000000, -0.0004640900000000, 0.0009013400000000 ] - [ 0.0000000000000000, -0.0004433100000000, 0.0012931500000000 ] - [ 0.0000000000000000, -0.0001265600000000, 0.0006030300000000 ] - [ 0.0000380500000000, 0.0008538500000000, 0.0000425200000000 ] - [ -0.0000380500000000, 0.0008538500000000, 0.0000425200000000 ] - [ 0.0019875300000000, -0.0007448900000000, 0.0023617800000000 ] - [ -0.0019875300000000, -0.0007448900000000, 0.0023617800000000 ] - [ 0.0000000000000000, 0.0033045700000000, 0.0022215100000000 ] - [ 0.0000000000000000, -0.0005396600000000, 0.0004195500000000 ] - [ -0.0002487500000000, -0.0002159600000000, -0.0014427500000000 ] - [ 0.0002487500000000, -0.0002159600000000, -0.0014427500000000 ] - [ 0.0000000000000000, -0.0023376400000000, 0.0007847000000000 ] - [ 0.0000000000000000, -0.0005431100000000, -0.0000402000000000 ] - [ 0.0000000000000000, -0.0059441700000000, 0.0009627500000000 ] - [ 0.0000000000000000, -0.0005930600000000, -0.0002179300000000 ] - [ 0.0000000000000000, -0.0032555700000000, -0.0034629800000000 ] - [ 0.0000000000000000, -0.0005982800000000, -0.0005623100000000 ] - [ 0.0000000000000000, 0.0240462200000000, 0.0062656200000000 ] - [ 0.0000000000000000, 0.0018146300000000, 0.0010390100000000 ] - [ 0.0000000000000000, 0.0496555000000000, 0.0352869200000000 ] - [ 0.0000000000000000, 0.0017778500000000, -0.0006424800000000 ] - [ 0.0000331900000000, 0.0000323400000000, 0.0003376600000000 ] - [ -0.0000331900000000, 0.0000323400000000, 0.0003376600000000 ] - [ -0.0000914200000000, -0.0000768700000000, -0.0019078900000000 ] - [ 0.0000914200000000, -0.0000768700000000, -0.0019078900000000 ] - [ -0.0028404200000000, -0.0035552500000000, -0.0023141900000000 ] - [ 0.0028404200000000, -0.0035552500000000, -0.0023141900000000 ] - [ -0.0036562300000000, -0.0033472700000000, -0.0006445400000000 ] - [ 0.0036562300000000, -0.0033472700000000, -0.0006445400000000 ] - [ 0.0000000000000000, -0.0007905200000000, 0.0000608800000000 ] - [ 0.0000000000000000, -0.0004654300000000, 0.0005208900000000 ] - [ 0.0000000000000000, -0.0009939200000000, -0.0021422800000000 ] - [ 0.0000000000000000, -0.0006665300000000, -0.0021211000000000 ] - [ 0.0000000000000000, -0.0046730700000000, -0.0044591000000000 ] - [ 0.0000000000000000, -0.0011102900000000, 0.0002859300000000 ] - [ -0.0023081700000000, -0.0078419900000000, -0.0014335600000000 ] - [ 0.0000137700000000, -0.0007746600000000, 0.0001391400000000 ] - [ -0.0091920000000000, -0.0055090700000000, 0.0095814500000000 ] - [ 0.0010452700000000, -0.0004722600000000, 0.0005364700000000 ] - [ 0.0000000000000000, -0.1327061600000000, -0.0283752100000000 ] - [ 0.0000000000000000, -0.0008657600000000, -0.0003997800000000 ] - [ -0.0140618500000000, 0.0191099500000000, -0.0081243900000000 ] - [ 0.0011442900000000, -0.0008121200000000, -0.0005815400000000 ] - [ -0.0000137700000000, -0.0007746600000000, 0.0001391400000000 ] - [ 0.0023081700000000, -0.0078419900000000, -0.0014335600000000 ] - [ -0.0010452700000000, -0.0004722600000000, 0.0005364700000000 ] - [ 0.0091920000000000, -0.0055090700000000, 0.0095814500000000 ] - [ -0.0011442900000000, -0.0008121200000000, -0.0005815400000000 ] - [ 0.0140618500000000, 0.0191099500000000, -0.0081243900000000 ] - [ 0.0000000000000000, 0.0069793400000000, -0.0056057000000000 ] - [ 0.0000000000000000, -0.0009123500000000, 0.0004805600000000 ] - [ 0.0000000000000000, 0.0222001600000000, 0.0022514300000000 ] - [ 0.0000000000000000, -0.0000420200000000, -0.0002371500000000 ] - [ 0.0000775100000000, -0.0002671600000000, 0.0002140800000000 ] - [ -0.0000775100000000, -0.0002671600000000, 0.0002140800000000 ] - [ 0.0001322800000000, 0.0006267400000000, 0.0004645300000000 ] - [ -0.0001322800000000, 0.0006267400000000, 0.0004645300000000 ] - [ 0.0004737500000000, -0.0000908500000000, -0.0001860800000000 ] - [ 0.0002708300000000, -0.0002140000000000, -0.0001741900000000 ] - [ 0.0003291100000000, -0.0000305100000000, -0.0001482800000000 ] - [ 0.0006859400000000, -0.0003265200000000, 0.0002738100000000 ] - [ -0.0002708300000000, -0.0002140000000000, -0.0001741900000000 ] - [ -0.0004737500000000, -0.0000908500000000, -0.0001860800000000 ] - [ 0.0003699300000000, -0.0001307800000000, 0.0007222400000000 ] - [ 0.0004266700000000, -0.0003149200000000, 0.0006993300000000 ] - [ 0.0000027500000000, -0.0004608800000000, 0.0002379200000000 ] - [ -0.0000027500000000, -0.0004608800000000, 0.0002379200000000 ] - [ -0.0006859400000000, -0.0003265200000000, 0.0002738100000000 ] - [ -0.0003291100000000, -0.0000305100000000, -0.0001482800000000 ] - [ -0.0004266700000000, -0.0003149200000000, 0.0006993300000000 ] - [ -0.0003699300000000, -0.0001307800000000, 0.0007222400000000 ] - [ -0.0002097500000000, 0.0004206200000000, -0.0000095100000000 ] - [ 0.0002097500000000, 0.0004206200000000, -0.0000095100000000 ] - [ -0.0004919300000000, 0.0001528800000000, 0.0015852900000000 ] - [ 0.0004919300000000, 0.0001528800000000, 0.0015852900000000 ] - [ 0.0010880100000000, 0.0013525200000000, 0.0002984800000000 ] - [ 0.0011238400000000, 0.0019869600000000, 0.0002111500000000 ] - [ 0.0014528700000000, 0.0008886500000000, -0.0000293000000000 ] - [ -0.0011207200000000, 0.0034811700000000, 0.0003718900000000 ] - [ 0.0000931200000000, 0.0037237900000000, 0.0001896500000000 ] - [ -0.0000931200000000, 0.0037237900000000, 0.0001896500000000 ] - [ 0.0012104400000000, 0.0005607600000000, -0.0001178600000000 ] - [ -0.0046272000000000, 0.0065493700000000, 0.0011130300000000 ] - [ -0.0011238400000000, 0.0019869600000000, 0.0002111500000000 ] - [ -0.0010880100000000, 0.0013525200000000, 0.0002984800000000 ] - [ 0.0011207200000000, 0.0034811700000000, 0.0003718900000000 ] - [ -0.0014528700000000, 0.0008886500000000, -0.0000293000000000 ] - [ 0.0046272000000000, 0.0065493700000000, 0.0011130300000000 ] - [ -0.0012104400000000, 0.0005607600000000, -0.0001178600000000 ] - [ 0.0007162200000000, -0.0007251000000000, 0.0011701300000000 ] - [ -0.0007162200000000, -0.0007251000000000, 0.0011701300000000 ] - [ 0.0019341800000000, 0.0003001600000000, -0.0012821100000000 ] - [ -0.0019341800000000, 0.0003001600000000, -0.0012821100000000 ] - [ 0.0000000000000000, 0.0003484200000000, -0.0002594200000000 ] - [ 0.0000000000000000, 0.0001066900000000, -0.0000282600000000 ] - [ 0.0000000000000000, 0.0010268600000000, 0.0009392100000000 ] - [ 0.0000000000000000, 0.0008816400000000, 0.0004562100000000 ] - [ 0.0005274800000000, 0.0000690800000000, -0.0001114500000000 ] - [ 0.0005721600000000, 0.0000468100000000, -0.0001879400000000 ] - [ 0.0001996500000000, 0.0003529200000000, -0.0001095200000000 ] - [ 0.0002879000000000, 0.0001596000000000, -0.0002772600000000 ] - [ -0.0005721600000000, 0.0000468100000000, -0.0001879400000000 ] - [ -0.0005274800000000, 0.0000690800000000, -0.0001114500000000 ] - [ 0.0002461900000000, 0.0002603000000000, 0.0010356200000000 ] - [ 0.0002710300000000, 0.0001239500000000, 0.0010425700000000 ] - [ 0.0000000000000000, -0.0000409000000000, 0.0002665600000000 ] - [ 0.0000000000000000, -0.0003060300000000, 0.0002206500000000 ] - [ -0.0002879000000000, 0.0001596000000000, -0.0002772600000000 ] - [ -0.0001996500000000, 0.0003529200000000, -0.0001095200000000 ] - [ -0.0002710300000000, 0.0001239500000000, 0.0010425700000000 ] - [ -0.0002461900000000, 0.0002603000000000, 0.0010356200000000 ] - [ 0.0000000000000000, 0.0025391000000000, 0.0048683000000000 ] - [ 0.0000000000000000, 0.0007840200000000, 0.0009830200000000 ]- atom: 63 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0002562800000000, -0.0002973200000000 ] - [ 0.0000000000000000, -0.0001552700000000, -0.0003479700000000 ] - [ 0.0000000000000000, -0.0016588000000000, 0.0029859300000000 ] - [ 0.0000000000000000, 0.0000123000000000, 0.0004480100000000 ] - [ -0.0001098800000000, -0.0001812400000000, 0.0009923700000000 ] - [ 0.0001098800000000, -0.0001812400000000, 0.0009923700000000 ] - [ 0.0000000000000000, 0.0007023400000000, 0.0005717300000000 ] - [ 0.0000000000000000, 0.0008665100000000, 0.0001336100000000 ] - [ 0.0000000000000000, 0.0028579500000000, 0.0105884200000000 ] - [ 0.0000000000000000, -0.0001022600000000, 0.0009257500000000 ] - [ -0.0030705300000000, 0.0009401500000000, 0.0009496700000000 ] - [ 0.0030705300000000, 0.0009401500000000, 0.0009496700000000 ] - [ 0.0000000000000000, -0.0005609000000000, -0.0020115900000000 ] - [ 0.0000000000000000, -0.0000521700000000, -0.0008692700000000 ] - [ -0.0001047900000000, -0.0009129400000000, 0.0004212200000000 ] - [ 0.0001047900000000, -0.0009129400000000, 0.0004212200000000 ] - [ 0.0043248800000000, -0.0053610500000000, 0.0000913600000000 ] - [ -0.0043248800000000, -0.0053610500000000, 0.0000913600000000 ] - [ -0.0003636000000000, -0.0019969900000000, -0.0006585300000000 ] - [ 0.0003636000000000, -0.0019969900000000, -0.0006585300000000 ] - [ 0.0000119700000000, -0.0000804000000000, -0.0002884200000000 ] - [ -0.0000119700000000, -0.0000804000000000, -0.0002884200000000 ] - [ 0.0000417900000000, 0.0007804200000000, -0.0002993400000000 ] - [ -0.0000417900000000, 0.0007804200000000, -0.0002993400000000 ] - [ 0.0000000000000000, 0.0001496600000000, -0.0001006000000000 ] - [ 0.0000000000000000, -0.0001646600000000, 0.0005804400000000 ] - [ -0.0000379200000000, 0.0010744200000000, -0.0001850400000000 ] - [ 0.0000379200000000, 0.0010744200000000, -0.0001850400000000 ] - [ -0.0019821000000000, 0.0010214600000000, -0.0011904600000000 ] - [ 0.0019821000000000, 0.0010214600000000, -0.0011904600000000 ] - [ 0.0000000000000000, -0.0048926200000000, -0.0026933000000000 ] - [ 0.0000000000000000, -0.0013830700000000, -0.0005732400000000 ] - [ 0.0002496900000000, 0.0002454400000000, -0.0003512800000000 ] - [ -0.0002496900000000, 0.0002454400000000, -0.0003512800000000 ] - [ 0.0000000000000000, 0.0020104500000000, -0.0001912200000000 ] - [ 0.0000000000000000, 0.0002244300000000, 0.0006323100000000 ] - [ 0.0000000000000000, 0.0062315600000000, -0.0017907200000000 ] - [ 0.0000000000000000, 0.0008807400000000, -0.0005983000000000 ] - [ 0.0000000000000000, 0.0032262600000000, 0.0016860700000000 ] - [ 0.0000000000000000, 0.0005663600000000, -0.0012285900000000 ] - [ 0.0000000000000000, -0.0242135100000000, -0.0039618100000000 ] - [ 0.0000000000000000, -0.0011856100000000, 0.0002600600000000 ] - [ 0.0000000000000000, -0.0515749000000000, -0.0417777000000000 ] - [ 0.0000000000000000, -0.0008590500000000, -0.0029956800000000 ] - [ -0.0000360900000000, -0.0006802000000000, 0.0009773100000000 ] - [ 0.0000360900000000, -0.0006802000000000, 0.0009773100000000 ] - [ 0.0000920000000000, -0.0008549000000000, -0.0016950800000000 ] - [ -0.0000920000000000, -0.0008549000000000, -0.0016950800000000 ] - [ 0.0028192200000000, 0.0042021400000000, 0.0035912200000000 ] - [ -0.0028192200000000, 0.0042021400000000, 0.0035912200000000 ] - [ 0.0036213800000000, 0.0042828800000000, -0.0029736600000000 ] - [ -0.0036213800000000, 0.0042828800000000, -0.0029736600000000 ] - [ 0.0000000000000000, 0.0001419900000000, 0.0012550700000000 ] - [ 0.0000000000000000, -0.0001833600000000, 0.0007899100000000 ] - [ 0.0000000000000000, 0.0000536700000000, -0.0014636200000000 ] - [ 0.0000000000000000, -0.0002698300000000, -0.0014872400000000 ] - [ 0.0000000000000000, 0.0030416200000000, 0.0057022800000000 ] - [ 0.0000000000000000, -0.0004967100000000, 0.0009914200000000 ] - [ 0.0029083600000000, 0.0077279800000000, 0.0008684400000000 ] - [ 0.0006311200000000, 0.0006213100000000, -0.0006165600000000 ] - [ 0.0099994000000000, 0.0056727800000000, -0.0079756300000000 ] - [ -0.0003188300000000, 0.0005377700000000, 0.0010788900000000 ] - [ 0.0000000000000000, 0.1368150100000000, 0.0307291200000000 ] - [ 0.0000000000000000, 0.0015583900000000, 0.0006630200000000 ] - [ 0.0153328300000000, -0.0192922300000000, 0.0076233700000000 ] - [ -0.0001409400000000, 0.0008663000000000, -0.0000115700000000 ] - [ -0.0006311200000000, 0.0006213100000000, -0.0006165600000000 ] - [ -0.0029083600000000, 0.0077279800000000, 0.0008684400000000 ] - [ 0.0003188300000000, 0.0005377700000000, 0.0010788900000000 ] - [ -0.0099994000000000, 0.0056727800000000, -0.0079756300000000 ] - [ 0.0001409400000000, 0.0008663000000000, -0.0000115700000000 ] - [ -0.0153328300000000, -0.0192922300000000, 0.0076233700000000 ] - [ 0.0000000000000000, -0.0085307100000000, 0.0063519100000000 ] - [ 0.0000000000000000, -0.0006089200000000, 0.0002978600000000 ] - [ 0.0000000000000000, -0.0223403100000000, -0.0023119700000000 ] - [ 0.0000000000000000, 0.0000340600000000, 0.0001515600000000 ] - [ -0.0000778500000000, 0.0002818000000000, -0.0003062100000000 ] - [ 0.0000778500000000, 0.0002818000000000, -0.0003062100000000 ] - [ -0.0001309200000000, 0.0009015700000000, 0.0003132500000000 ] - [ 0.0001309200000000, 0.0009015700000000, 0.0003132500000000 ] - [ 0.0005326400000000, 0.0000466600000000, -0.0004198200000000 ] - [ 0.0007337500000000, 0.0001695000000000, -0.0004322500000000 ] - [ 0.0003077300000000, 0.0001877300000000, -0.0003266500000000 ] - [ -0.0000525400000000, 0.0004842600000000, -0.0007516600000000 ] - [ -0.0007337500000000, 0.0001695000000000, -0.0004322500000000 ] - [ -0.0005326400000000, 0.0000466600000000, -0.0004198200000000 ] - [ 0.0003612600000000, 0.0000656200000000, 0.0008779100000000 ] - [ 0.0003070400000000, 0.0002481600000000, 0.0008999900000000 ] - [ -0.0000022300000000, -0.0002227300000000, 0.0000083300000000 ] - [ 0.0000022300000000, -0.0002227300000000, 0.0000083300000000 ] - [ 0.0000525400000000, 0.0004842600000000, -0.0007516600000000 ] - [ -0.0003077300000000, 0.0001877300000000, -0.0003266500000000 ] - [ -0.0003070400000000, 0.0002481600000000, 0.0008999900000000 ] - [ -0.0003612600000000, 0.0000656200000000, 0.0008779100000000 ] - [ 0.0002031200000000, 0.0011935900000000, 0.0012838100000000 ] - [ -0.0002031200000000, 0.0011935900000000, 0.0012838100000000 ] - [ 0.0004950400000000, -0.0017583400000000, -0.0003105500000000 ] - [ -0.0004950400000000, -0.0017583400000000, -0.0003105500000000 ] - [ -0.0004448200000000, -0.0015022700000000, -0.0007659200000000 ] - [ -0.0004858500000000, -0.0021376000000000, -0.0006753800000000 ] - [ -0.0007151300000000, -0.0008219700000000, 0.0016334400000000 ] - [ 0.0018305400000000, -0.0034047600000000, 0.0012410800000000 ] - [ -0.0000850400000000, -0.0030342800000000, 0.0000661800000000 ] - [ 0.0000850400000000, -0.0030342800000000, 0.0000661800000000 ] - [ -0.0001964700000000, -0.0005238600000000, -0.0004768800000000 ] - [ 0.0055956000000000, -0.0064737400000000, -0.0016961600000000 ] - [ 0.0004858500000000, -0.0021376000000000, -0.0006753800000000 ] - [ 0.0004448200000000, -0.0015022700000000, -0.0007659200000000 ] - [ -0.0018305400000000, -0.0034047600000000, 0.0012410800000000 ] - [ 0.0007151300000000, -0.0008219700000000, 0.0016334400000000 ] - [ -0.0055956000000000, -0.0064737400000000, -0.0016961600000000 ] - [ 0.0001964700000000, -0.0005238600000000, -0.0004768800000000 ] - [ -0.0007146900000000, -0.0008216400000000, -0.0003784600000000 ] - [ 0.0007146900000000, -0.0008216400000000, -0.0003784600000000 ] - [ -0.0019217000000000, -0.0003292200000000, 0.0011995800000000 ] - [ 0.0019217000000000, -0.0003292200000000, 0.0011995800000000 ] - [ 0.0000000000000000, -0.0003243000000000, 0.0001597400000000 ] - [ 0.0000000000000000, -0.0000874100000000, -0.0000654500000000 ] - [ 0.0000000000000000, 0.0005020700000000, -0.0001628500000000 ] - [ 0.0000000000000000, 0.0006478800000000, 0.0003233800000000 ] - [ 0.0004799800000000, -0.0001118200000000, -0.0004944100000000 ] - [ 0.0004341600000000, -0.0000897000000000, -0.0004167700000000 ] - [ 0.0004367000000000, -0.0001940800000000, -0.0003673000000000 ] - [ 0.0003465700000000, -0.0000014200000000, -0.0001989500000000 ] - [ -0.0004341600000000, -0.0000897000000000, -0.0004167700000000 ] - [ -0.0004799800000000, -0.0001118200000000, -0.0004944100000000 ] - [ 0.0004842100000000, -0.0003243700000000, 0.0005693600000000 ] - [ 0.0004595000000000, -0.0001880800000000, 0.0005635700000000 ] - [ 0.0000000000000000, -0.0006425900000000, -0.0000209800000000 ] - [ 0.0000000000000000, -0.0003778100000000, 0.0000271100000000 ] - [ -0.0003465700000000, -0.0000014200000000, -0.0001989500000000 ] - [ -0.0004367000000000, -0.0001940800000000, -0.0003673000000000 ] - [ -0.0004595000000000, -0.0001880800000000, 0.0005635700000000 ] - [ -0.0004842100000000, -0.0003243700000000, 0.0005693600000000 ] - [ 0.0000000000000000, -0.0009276800000000, -0.0035749300000000 ] - [ 0.0000000000000000, 0.0008212400000000, 0.0002948100000000 ]- atom: 63 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0002791300000000, -0.0017104500000000 ] - [ 0.0000000000000000, -0.0002219200000000, -0.0012351400000000 ] - [ 0.0000000000000000, 0.0002536000000000, -0.0051251400000000 ] - [ 0.0000000000000000, -0.0000388500000000, -0.0001347100000000 ] - [ 0.0002849100000000, -0.0001613200000000, -0.0006035900000000 ] - [ -0.0002849100000000, -0.0001613200000000, -0.0006035900000000 ] - [ 0.0000000000000000, 0.0010575800000000, -0.0017122400000000 ] - [ 0.0000000000000000, 0.0009025600000000, -0.0008658600000000 ] - [ 0.0000000000000000, -0.0064141700000000, -0.0022879600000000 ] - [ 0.0000000000000000, -0.0001263600000000, 0.0012132800000000 ] - [ 0.0026762400000000, -0.0021112500000000, 0.0024224400000000 ] - [ -0.0026762400000000, -0.0021112500000000, 0.0024224400000000 ] - [ 0.0000000000000000, -0.0002003900000000, -0.0054833700000000 ] - [ 0.0000000000000000, 0.0001054500000000, -0.0015597200000000 ] - [ -0.0021175600000000, -0.0005916300000000, -0.0020888100000000 ] - [ 0.0021175600000000, -0.0005916300000000, -0.0020888100000000 ] - [ -0.0029416500000000, -0.0003099900000000, 0.0056397900000000 ] - [ 0.0029416500000000, -0.0003099900000000, 0.0056397900000000 ] - [ 0.0026939700000000, 0.0015331000000000, -0.0027880300000000 ] - [ -0.0026939700000000, 0.0015331000000000, -0.0027880300000000 ] - [ 0.0000294100000000, -0.0001975500000000, -0.0012966100000000 ] - [ -0.0000294100000000, -0.0001975500000000, -0.0012966100000000 ] - [ 0.0006105900000000, 0.0000106600000000, -0.0004825400000000 ] - [ -0.0006105900000000, 0.0000106600000000, -0.0004825400000000 ] - [ 0.0000000000000000, 0.0002057500000000, -0.0011751600000000 ] - [ 0.0000000000000000, -0.0000214000000000, -0.0001227000000000 ] - [ -0.0001980200000000, 0.0011906100000000, -0.0013100000000000 ] - [ 0.0001980200000000, 0.0011906100000000, -0.0013100000000000 ] - [ -0.0020306300000000, 0.0014470000000000, 0.0016314800000000 ] - [ 0.0020306300000000, 0.0014470000000000, 0.0016314800000000 ] - [ 0.0000000000000000, -0.0042586700000000, 0.0100754600000000 ] - [ 0.0000000000000000, -0.0009932400000000, 0.0010127200000000 ] - [ -0.0005733400000000, -0.0002274100000000, -0.0016410800000000 ] - [ 0.0005733400000000, -0.0002274100000000, -0.0016410800000000 ] - [ 0.0000000000000000, 0.0012765700000000, -0.0006879700000000 ] - [ 0.0000000000000000, -0.0000269500000000, 0.0001162600000000 ] - [ 0.0000000000000000, -0.0001479700000000, 0.0043499300000000 ] - [ 0.0000000000000000, 0.0001160300000000, 0.0007593100000000 ] - [ 0.0000000000000000, -0.0019028100000000, -0.0042573600000000 ] - [ 0.0000000000000000, -0.0000806100000000, -0.0008993700000000 ] - [ 0.0000000000000000, 0.0313775300000000, 0.0090325900000000 ] - [ 0.0000000000000000, 0.0013059900000000, 0.0032167800000000 ] - [ 0.0000000000000000, 0.0098185500000000, 0.0531944200000000 ] - [ 0.0000000000000000, 0.0009168500000000, 0.0024527800000000 ] - [ 0.0007813400000000, 0.0000929900000000, -0.0021210100000000 ] - [ -0.0007813400000000, 0.0000929900000000, -0.0021210100000000 ] - [ -0.0003105500000000, -0.0005977500000000, -0.0047309000000000 ] - [ 0.0003105500000000, -0.0005977500000000, -0.0047309000000000 ] - [ -0.0014725800000000, -0.0003433300000000, 0.0040313900000000 ] - [ 0.0014725800000000, -0.0003433300000000, 0.0040313900000000 ] - [ 0.0018835000000000, 0.0007349800000000, 0.0032296500000000 ] - [ -0.0018835000000000, 0.0007349800000000, 0.0032296500000000 ] - [ 0.0000000000000000, -0.0003313800000000, -0.0025508200000000 ] - [ 0.0000000000000000, -0.0000872500000000, -0.0010779400000000 ] - [ 0.0000000000000000, 0.0001580900000000, -0.0047943700000000 ] - [ 0.0000000000000000, -0.0002465200000000, -0.0036464400000000 ] - [ 0.0000000000000000, -0.0015544700000000, 0.0038104000000000 ] - [ 0.0000000000000000, -0.0010049900000000, 0.0007548500000000 ] - [ 0.0088838600000000, -0.0041512400000000, 0.0126344700000000 ] - [ -0.0008130400000000, -0.0004492700000000, -0.0011513300000000 ] - [ -0.0105134800000000, 0.0055342900000000, 0.0124457600000000 ] - [ 0.0020599600000000, 0.0001926900000000, -0.0004750300000000 ] - [ 0.0000000000000000, -0.0278666400000000, -0.1088680100000000 ] - [ 0.0000000000000000, -0.0001831100000000, -0.0015408200000000 ] - [ 0.0038763500000000, -0.0067507200000000, -0.0143765000000000 ] - [ 0.0003070900000000, -0.0002922000000000, -0.0022191000000000 ] - [ 0.0008130400000000, -0.0004492700000000, -0.0011513300000000 ] - [ -0.0088838600000000, -0.0041512400000000, 0.0126344700000000 ] - [ -0.0020599600000000, 0.0001926900000000, -0.0004750300000000 ] - [ 0.0105134800000000, 0.0055342900000000, 0.0124457600000000 ] - [ -0.0003070900000000, -0.0002922000000000, -0.0022191000000000 ] - [ -0.0038763500000000, -0.0067507200000000, -0.0143765000000000 ] - [ 0.0000000000000000, -0.0190094300000000, 0.0111296800000000 ] - [ 0.0000000000000000, -0.0005918000000000, -0.0000438400000000 ] - [ 0.0000000000000000, 0.0263334900000000, 0.0042018100000000 ] - [ 0.0000000000000000, -0.0004465000000000, -0.0008817800000000 ] - [ 0.0001223000000000, -0.0001485200000000, 0.0008076100000000 ] - [ -0.0001223000000000, -0.0001485200000000, 0.0008076100000000 ] - [ -0.0001800900000000, 0.0010518100000000, 0.0015751400000000 ] - [ 0.0001800900000000, 0.0010518100000000, 0.0015751400000000 ] - [ 0.0003894700000000, -0.0000490200000000, 0.0010663000000000 ] - [ 0.0004989600000000, -0.0000693100000000, 0.0011756000000000 ] - [ 0.0002393400000000, -0.0000446100000000, 0.0004693600000000 ] - [ 0.0015506100000000, -0.0005382500000000, 0.0017209500000000 ] - [ -0.0004989600000000, -0.0000693100000000, 0.0011756000000000 ] - [ -0.0003894700000000, -0.0000490200000000, 0.0010663000000000 ] - [ 0.0001886900000000, 0.0001319800000000, 0.0020831100000000 ] - [ -0.0005956100000000, 0.0004575100000000, 0.0024343900000000 ] - [ -0.0000415800000000, -0.0004588600000000, 0.0014092600000000 ] - [ 0.0000415800000000, -0.0004588600000000, 0.0014092600000000 ] - [ -0.0015506100000000, -0.0005382500000000, 0.0017209500000000 ] - [ -0.0002393400000000, -0.0000446100000000, 0.0004693600000000 ] - [ 0.0005956100000000, 0.0004575100000000, 0.0024343900000000 ] - [ -0.0001886900000000, 0.0001319800000000, 0.0020831100000000 ] - [ 0.0011297100000000, 0.0001126500000000, 0.0017840700000000 ] - [ -0.0011297100000000, 0.0001126500000000, 0.0017840700000000 ] - [ -0.0010229300000000, -0.0003094200000000, 0.0014285500000000 ] - [ 0.0010229300000000, -0.0003094200000000, 0.0014285500000000 ] - [ 0.0005917500000000, -0.0003523300000000, -0.0007690500000000 ] - [ -0.0007410800000000, -0.0008989100000000, -0.0015692400000000 ] - [ 0.0002382300000000, 0.0001598000000000, 0.0002405100000000 ] - [ 0.0036172800000000, -0.0000131300000000, -0.0008225600000000 ] - [ 0.0000517100000000, 0.0004055000000000, -0.0022173900000000 ] - [ -0.0000517100000000, 0.0004055000000000, -0.0022173900000000 ] - [ 0.0005964700000000, 0.0001513400000000, -0.0023013500000000 ] - [ -0.0001790800000000, 0.0011954600000000, -0.0035524900000000 ] - [ 0.0007410800000000, -0.0008989100000000, -0.0015692400000000 ] - [ -0.0005917500000000, -0.0003523300000000, -0.0007690500000000 ] - [ -0.0036172800000000, -0.0000131300000000, -0.0008225600000000 ] - [ -0.0002382300000000, 0.0001598000000000, 0.0002405100000000 ] - [ 0.0001790800000000, 0.0011954600000000, -0.0035524900000000 ] - [ -0.0005964700000000, 0.0001513400000000, -0.0023013500000000 ] - [ 0.0009552500000000, 0.0009029300000000, -0.0004852900000000 ] - [ -0.0009552500000000, 0.0009029300000000, -0.0004852900000000 ] - [ -0.0014108600000000, -0.0010256000000000, -0.0018346100000000 ] - [ 0.0014108600000000, -0.0010256000000000, -0.0018346100000000 ] - [ 0.0000000000000000, -0.0011092300000000, 0.0017754600000000 ] - [ 0.0000000000000000, -0.0003857700000000, 0.0006956000000000 ] - [ 0.0000000000000000, 0.0016715200000000, 0.0022583900000000 ] - [ 0.0000000000000000, 0.0010858500000000, 0.0010083200000000 ] - [ 0.0004126700000000, -0.0001218300000000, 0.0011863800000000 ] - [ 0.0004838000000000, -0.0000670400000000, 0.0006753500000000 ] - [ 0.0003628600000000, -0.0001832100000000, 0.0008640600000000 ] - [ 0.0006993900000000, -0.0001415800000000, 0.0004886200000000 ] - [ -0.0004838000000000, -0.0000670400000000, 0.0006753500000000 ] - [ -0.0004126700000000, -0.0001218300000000, 0.0011863800000000 ] - [ 0.0001425900000000, 0.0001487800000000, 0.0019312100000000 ] - [ -0.0000610600000000, 0.0000922900000000, 0.0014983000000000 ] - [ 0.0000000000000000, -0.0004884900000000, 0.0016069900000000 ] - [ 0.0000000000000000, -0.0004405200000000, 0.0009734400000000 ] - [ -0.0006993900000000, -0.0001415800000000, 0.0004886200000000 ] - [ -0.0003628600000000, -0.0001832100000000, 0.0008640600000000 ] - [ 0.0000610600000000, 0.0000922900000000, 0.0014983000000000 ] - [ -0.0001425900000000, 0.0001487800000000, 0.0019312100000000 ] - [ 0.0000000000000000, 0.0011172900000000, 0.0040639400000000 ] - [ 0.0000000000000000, 0.0008736700000000, 0.0008843100000000 ]- atom: 63 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000165100000000, 0.0008960800000000 ] - [ 0.0000000000000000, -0.0000728800000000, 0.0004190400000000 ] - [ 0.0000000000000000, 0.0000579500000000, 0.0057369500000000 ] - [ 0.0000000000000000, 0.0003548400000000, 0.0007252500000000 ] - [ -0.0002854800000000, -0.0001302300000000, 0.0017859200000000 ] - [ 0.0002854800000000, -0.0001302300000000, 0.0017859200000000 ] - [ 0.0000000000000000, 0.0008702700000000, 0.0015633200000000 ] - [ 0.0000000000000000, 0.0010256900000000, 0.0007188600000000 ] - [ 0.0000000000000000, 0.0067550900000000, 0.0035815100000000 ] - [ 0.0000000000000000, 0.0004215500000000, -0.0000215100000000 ] - [ -0.0026812500000000, 0.0001822500000000, -0.0025926800000000 ] - [ 0.0026812500000000, 0.0001822500000000, -0.0025926800000000 ] - [ 0.0000000000000000, 0.0002318100000000, 0.0036723200000000 ] - [ 0.0000000000000000, -0.0000749300000000, -0.0002253000000000 ] - [ 0.0021001000000000, 0.0002733200000000, 0.0026756700000000 ] - [ -0.0021001000000000, 0.0002733200000000, 0.0026756700000000 ] - [ 0.0030207000000000, 0.0006078500000000, -0.0064179500000000 ] - [ -0.0030207000000000, 0.0006078500000000, -0.0064179500000000 ] - [ -0.0027030400000000, -0.0015725000000000, 0.0009935800000000 ] - [ 0.0027030400000000, -0.0015725000000000, 0.0009935800000000 ] - [ -0.0000307900000000, -0.0000984400000000, 0.0004813900000000 ] - [ 0.0000307900000000, -0.0000984400000000, 0.0004813900000000 ] - [ -0.0006122300000000, 0.0003059300000000, 0.0010726900000000 ] - [ 0.0006122300000000, 0.0003059300000000, 0.0010726900000000 ] - [ 0.0000000000000000, -0.0004971000000000, 0.0023575400000000 ] - [ 0.0000000000000000, -0.0002702800000000, 0.0013025400000000 ] - [ 0.0001958300000000, 0.0007400300000000, 0.0011606700000000 ] - [ -0.0001958300000000, 0.0007400300000000, 0.0011606700000000 ] - [ 0.0020266300000000, -0.0011483100000000, -0.0004222000000000 ] - [ -0.0020266300000000, -0.0011483100000000, -0.0004222000000000 ] - [ 0.0000000000000000, 0.0026827300000000, -0.0105100900000000 ] - [ 0.0000000000000000, -0.0009348700000000, -0.0011683300000000 ] - [ 0.0005728600000000, 0.0002544400000000, -0.0001461800000000 ] - [ -0.0005728600000000, 0.0002544400000000, -0.0001461800000000 ] - [ 0.0000000000000000, -0.0015840700000000, 0.0012888900000000 ] - [ 0.0000000000000000, -0.0002892200000000, 0.0004869200000000 ] - [ 0.0000000000000000, 0.0004396300000000, -0.0051688700000000 ] - [ 0.0000000000000000, 0.0001766400000000, -0.0015730800000000 ] - [ 0.0000000000000000, 0.0018796200000000, 0.0024627500000000 ] - [ 0.0000000000000000, 0.0000522100000000, -0.0008980700000000 ] - [ 0.0000000000000000, -0.0313200500000000, -0.0068659500000000 ] - [ 0.0000000000000000, -0.0006609900000000, -0.0018944400000000 ] - [ 0.0000000000000000, -0.0110399300000000, -0.0578805200000000 ] - [ 0.0000000000000000, 0.0000043500000000, -0.0060895200000000 ] - [ -0.0007835500000000, -0.0007415800000000, 0.0034237900000000 ] - [ 0.0007835500000000, -0.0007415800000000, 0.0034237900000000 ] - [ 0.0003091300000000, -0.0003383800000000, 0.0011105300000000 ] - [ -0.0003091300000000, -0.0003383800000000, 0.0011105300000000 ] - [ 0.0014782100000000, 0.0009971800000000, -0.0026997100000000 ] - [ -0.0014782100000000, 0.0009971800000000, -0.0026997100000000 ] - [ -0.0018790900000000, 0.0002125700000000, -0.0068576200000000 ] - [ 0.0018790900000000, 0.0002125700000000, -0.0068576200000000 ] - [ 0.0000000000000000, -0.0003139700000000, 0.0038566400000000 ] - [ 0.0000000000000000, -0.0005591900000000, 0.0023792200000000 ] - [ 0.0000000000000000, -0.0010877200000000, 0.0011766300000000 ] - [ 0.0000000000000000, -0.0006857700000000, 0.0000318500000000 ] - [ 0.0000000000000000, -0.0000416300000000, -0.0025239900000000 ] - [ 0.0000000000000000, -0.0006007100000000, 0.0005287500000000 ] - [ -0.0080601500000000, 0.0039495700000000, -0.0128914900000000 ] - [ 0.0014450300000000, 0.0002914400000000, 0.0006586500000000 ] - [ 0.0114000600000000, -0.0055333600000000, -0.0109500600000000 ] - [ -0.0013368200000000, -0.0001271100000000, 0.0020934300000000 ] - [ 0.0000000000000000, 0.0312097800000000, 0.1094143400000000 ] - [ 0.0000000000000000, 0.0008737500000000, 0.0017975600000000 ] - [ -0.0029315300000000, 0.0069491800000000, 0.0136653100000000 ] - [ 0.0007016200000000, 0.0003431700000000, 0.0016181900000000 ] - [ -0.0014450300000000, 0.0002914400000000, 0.0006586500000000 ] - [ 0.0080601500000000, 0.0039495700000000, -0.0128914900000000 ] - [ 0.0013368200000000, -0.0001271100000000, 0.0020934300000000 ] - [ -0.0114000600000000, -0.0055333600000000, -0.0109500600000000 ] - [ -0.0007016200000000, 0.0003431700000000, 0.0016181900000000 ] - [ 0.0029315300000000, 0.0069491800000000, 0.0136653100000000 ] - [ 0.0000000000000000, 0.0173026900000000, -0.0101903700000000 ] - [ 0.0000000000000000, -0.0009331200000000, 0.0008165400000000 ] - [ 0.0000000000000000, -0.0265459400000000, -0.0044344900000000 ] - [ 0.0000000000000000, 0.0004364200000000, 0.0007963900000000 ] - [ -0.0001222900000000, 0.0001660600000000, -0.0008977200000000 ] - [ 0.0001222900000000, 0.0001660600000000, -0.0008977200000000 ] - [ 0.0001803800000000, 0.0004799300000000, -0.0007923300000000 ] - [ -0.0001803800000000, 0.0004799300000000, -0.0007923300000000 ] - [ 0.0006156200000000, 0.0000048900000000, -0.0016653100000000 ] - [ 0.0005047500000000, 0.0000251000000000, -0.0017749700000000 ] - [ 0.0003979900000000, 0.0002018700000000, -0.0009411400000000 ] - [ -0.0009172100000000, 0.0006976600000000, -0.0021961900000000 ] - [ -0.0005047500000000, 0.0000251000000000, -0.0017749700000000 ] - [ -0.0006156200000000, 0.0000048900000000, -0.0016653100000000 ] - [ 0.0005413800000000, -0.0001971500000000, -0.0004701100000000 ] - [ 0.0013206900000000, -0.0005190200000000, -0.0008206900000000 ] - [ 0.0000422000000000, -0.0002239500000000, -0.0011570800000000 ] - [ -0.0000422000000000, -0.0002239500000000, -0.0011570800000000 ] - [ 0.0009172100000000, 0.0006976600000000, -0.0021961900000000 ] - [ -0.0003979900000000, 0.0002018700000000, -0.0009411400000000 ] - [ -0.0013206900000000, -0.0005190200000000, -0.0008206900000000 ] - [ -0.0005413800000000, -0.0001971500000000, -0.0004701100000000 ] - [ -0.0011193900000000, 0.0014854700000000, -0.0005077700000000 ] - [ 0.0011193900000000, 0.0014854700000000, -0.0005077700000000 ] - [ 0.0010273300000000, -0.0013011700000000, -0.0001468700000000 ] - [ -0.0010273300000000, -0.0013011700000000, -0.0001468700000000 ] - [ 0.0000425200000000, 0.0001926600000000, 0.0002910700000000 ] - [ 0.0013718300000000, 0.0007389000000000, 0.0010852400000000 ] - [ 0.0004866200000000, -0.0000991500000000, 0.0013740800000000 ] - [ -0.0028973700000000, 0.0000712000000000, 0.0024404200000000 ] - [ -0.0000568700000000, 0.0002761600000000, 0.0024681000000000 ] - [ 0.0000568700000000, 0.0002761600000000, 0.0024681000000000 ] - [ 0.0004066700000000, -0.0001117500000000, 0.0016966700000000 ] - [ 0.0011999300000000, -0.0011752000000000, 0.0029378900000000 ] - [ -0.0013718300000000, 0.0007389000000000, 0.0010852400000000 ] - [ -0.0000425200000000, 0.0001926600000000, 0.0002910700000000 ] - [ 0.0028973700000000, 0.0000712000000000, 0.0024404200000000 ] - [ -0.0004866200000000, -0.0000991500000000, 0.0013740800000000 ] - [ -0.0011999300000000, -0.0011752000000000, 0.0029378900000000 ] - [ -0.0004066700000000, -0.0001117500000000, 0.0016966700000000 ] - [ -0.0009517700000000, -0.0024253700000000, 0.0012558000000000 ] - [ 0.0009517700000000, -0.0024253700000000, 0.0012558000000000 ] - [ 0.0014059700000000, 0.0010032700000000, 0.0017585100000000 ] - [ -0.0014059700000000, 0.0010032700000000, 0.0017585100000000 ] - [ 0.0000000000000000, 0.0011191300000000, -0.0018601600000000 ] - [ 0.0000000000000000, 0.0004000600000000, -0.0007861700000000 ] - [ 0.0000000000000000, -0.0001410300000000, -0.0014789400000000 ] - [ 0.0000000000000000, 0.0004437400000000, -0.0002254300000000 ] - [ 0.0005924200000000, 0.0000765600000000, -0.0017853500000000 ] - [ 0.0005196400000000, 0.0000221100000000, -0.0012753100000000 ] - [ 0.0002759100000000, 0.0003397100000000, -0.0013374700000000 ] - [ -0.0000633900000000, 0.0002993100000000, -0.0009606400000000 ] - [ -0.0005196400000000, 0.0000221100000000, -0.0012753100000000 ] - [ -0.0005924200000000, 0.0000765600000000, -0.0017853500000000 ] - [ 0.0005870800000000, -0.0002148100000000, -0.0003230000000000 ] - [ 0.0007887300000000, -0.0001575800000000, 0.0001097500000000 ] - [ 0.0000000000000000, -0.0001956300000000, -0.0013554300000000 ] - [ 0.0000000000000000, -0.0002420500000000, -0.0007221800000000 ] - [ 0.0000633900000000, 0.0002993100000000, -0.0009606400000000 ] - [ -0.0002759100000000, 0.0003397100000000, -0.0013374700000000 ] - [ -0.0007887300000000, -0.0001575800000000, 0.0001097500000000 ] - [ -0.0005870800000000, -0.0002148100000000, -0.0003230000000000 ] - [ 0.0000000000000000, 0.0004882400000000, -0.0027802200000000 ] - [ 0.0000000000000000, 0.0007358800000000, 0.0003882400000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002563000000000, -0.0001611100000000, -0.0003449300000000 ] - [ -0.0002608800000000, -0.0002552500000000, -0.0003747800000000 ] - [ 0.0008077700000000, 0.0001518400000000, -0.0009916400000000 ] - [ -0.0005324300000000, -0.0000479800000000, 0.0008800200000000 ] - [ 0.0001467100000000, -0.0004312200000000, 0.0012862900000000 ] - [ -0.0001658700000000, -0.0001915600000000, 0.0003549200000000 ] - [ 0.0002355200000000, 0.0009944500000000, 0.0001587600000000 ] - [ -0.0002351500000000, 0.0010780200000000, -0.0001735200000000 ] - [ 0.0018358800000000, 0.0022557500000000, 0.0010930800000000 ] - [ -0.0013672100000000, -0.0001537300000000, 0.0001527400000000 ] - [ 0.0014780500000000, 0.0009357100000000, 0.0075183400000000 ] - [ -0.0026364700000000, -0.0024275300000000, -0.0020095900000000 ] - [ 0.0011862400000000, 0.0002087100000000, 0.0012115900000000 ] - [ -0.0009524300000000, -0.0002352500000000, -0.0016084000000000 ] - [ 0.0009077200000000, -0.0009400900000000, -0.0001031700000000 ] - [ -0.0021002700000000, 0.0002193200000000, 0.0022883100000000 ] - [ 0.0009126000000000, -0.0063594200000000, 0.0001583500000000 ] - [ -0.0038515900000000, 0.0023242100000000, -0.0010862100000000 ] - [ 0.0006756300000000, 0.0000123400000000, -0.0000651300000000 ] - [ -0.0011538000000000, 0.0006136900000000, -0.0020451800000000 ] - [ 0.0001401800000000, -0.0000961500000000, -0.0003595300000000 ] - [ -0.0001432000000000, -0.0000540200000000, -0.0003667100000000 ] - [ 0.0002682200000000, 0.0008553700000000, 0.0011349200000000 ] - [ -0.0002666900000000, 0.0001389700000000, -0.0000594900000000 ] - [ 0.0002080500000000, -0.0000618300000000, 0.0004170400000000 ] - [ -0.0002094000000000, -0.0000784900000000, 0.0007134400000000 ] - [ 0.0001926800000000, 0.0011664900000000, -0.0007773700000000 ] - [ -0.0001982700000000, 0.0007439400000000, 0.0003788500000000 ] - [ 0.0028180600000000, 0.0002096600000000, -0.0039249100000000 ] - [ -0.0033629600000000, -0.0014836900000000, 0.0024823100000000 ] - [ 0.0014447000000000, 0.0006572900000000, -0.0009718200000000 ] - [ -0.0012760400000000, -0.0012003100000000, 0.0003554400000000 ] - [ 0.0003189200000000, 0.0001612400000000, -0.0016400600000000 ] - [ -0.0003150800000000, 0.0001663800000000, -0.0005070200000000 ] - [ 0.0009859200000000, -0.0013101400000000, 0.0007635900000000 ] - [ -0.0011310100000000, 0.0002533500000000, -0.0003266000000000 ] - [ 0.0043395400000000, -0.0021800100000000, -0.0003191000000000 ] - [ -0.0022052700000000, 0.0009451400000000, -0.0004169100000000 ] - [ 0.0012116600000000, -0.0005863800000000, -0.0017551300000000 ] - [ -0.0012117300000000, 0.0002824700000000, -0.0003198600000000 ] - [ 0.0362578900000000, -0.0018527700000000, -0.0201680100000000 ] - [ -0.0084140900000000, -0.0023429500000000, -0.0022961000000000 ] - [ 0.0233748000000000, -0.0040556100000000, -0.0005023500000000 ] - [ -0.0068694400000000, -0.0008770000000000, 0.0011693500000000 ] - [ 0.0003760100000000, -0.0003832800000000, 0.0007684300000000 ] - [ -0.0003631800000000, -0.0003740600000000, 0.0005733900000000 ] - [ 0.0003130100000000, -0.0005414400000000, -0.0018830400000000 ] - [ -0.0003020000000000, -0.0003030500000000, -0.0012998400000000 ] - [ 0.0020053200000000, 0.0026600900000000, -0.0006480400000000 ] - [ -0.0015214600000000, 0.0006415800000000, 0.0006859100000000 ] - [ 0.0015988300000000, 0.0026503200000000, 0.0004372300000000 ] - [ -0.0012478000000000, 0.0007962500000000, -0.0023536200000000 ] - [ 0.0006338600000000, -0.0003631300000000, 0.0006175200000000 ] - [ -0.0006165400000000, -0.0002584600000000, 0.0008641400000000 ] - [ 0.0005086900000000, -0.0007037500000000, -0.0015126300000000 ] - [ -0.0005145300000000, -0.0003874600000000, -0.0018589500000000 ] - [ -0.0005053000000000, -0.0010782700000000, 0.0012110800000000 ] - [ 0.0004302500000000, -0.0007463500000000, 0.0003250800000000 ] - [ -0.0106815500000000, -0.0020053000000000, -0.0000924700000000 ] - [ 0.0039142800000000, 0.0014328500000000, 0.0005002200000000 ] - [ -0.0091350400000000, 0.0001199200000000, 0.0013269700000000 ] - [ 0.0036363700000000, 0.0006116500000000, -0.0002600300000000 ] - [ 0.0014944800000000, -0.0143186300000000, 0.0035248500000000 ] - [ 0.0020882300000000, 0.0009891000000000, -0.0000760500000000 ] - [ -0.1053118800000000, 0.0335388800000000, 0.0127007800000000 ] - [ 0.0055969700000000, -0.0003194000000000, -0.0004044400000000 ] - [ 0.0013357600000000, 0.0004029100000000, 0.0012639400000000 ] - [ 0.0132272300000000, -0.0106022700000000, -0.0043344200000000 ] - [ 0.0012080900000000, 0.0007487300000000, -0.0002004500000000 ] - [ 0.0092977800000000, -0.0023845200000000, 0.0063603400000000 ] - [ 0.0109215500000000, 0.0019114000000000, -0.0001161800000000 ] - [ 0.0287183500000000, -0.0021959400000000, 0.0008854100000000 ] - [ -0.0009010000000000, 0.0052262700000000, -0.0093138500000000 ] - [ 0.0019384500000000, -0.0008045400000000, 0.0010725600000000 ] - [ -0.0013618900000000, 0.0057956000000000, 0.0069998500000000 ] - [ 0.0017219300000000, -0.0002498500000000, -0.0005491900000000 ] - [ -0.0000822500000000, -0.0000819700000000, 0.0001355000000000 ] - [ 0.0000815500000000, -0.0001034000000000, -0.0001891700000000 ] - [ -0.0000770100000000, 0.0006086500000000, 0.0001533000000000 ] - [ 0.0000484200000000, 0.0007401100000000, 0.0006983500000000 ] - [ 0.0004954000000000, -0.0000084400000000, -0.0003141300000000 ] - [ 0.0004968600000000, -0.0000504300000000, -0.0003715400000000 ] - [ 0.0002494500000000, 0.0002670400000000, -0.0004392900000000 ] - [ 0.0004412800000000, 0.0000155600000000, 0.0000071200000000 ] - [ -0.0007247000000000, 0.0000535600000000, -0.0003012900000000 ] - [ -0.0002692600000000, -0.0001176900000000, -0.0003966100000000 ] - [ 0.0003210900000000, 0.0001460300000000, 0.0009728000000000 ] - [ 0.0006121300000000, -0.0002463800000000, 0.0002600700000000 ] - [ -0.0000686100000000, -0.0001098400000000, 0.0001205400000000 ] - [ 0.0000621700000000, -0.0003121100000000, 0.0000091100000000 ] - [ -0.0008470300000000, 0.0000369400000000, 0.0000560000000000 ] - [ 0.0000827700000000, 0.0002223800000000, -0.0004129000000000 ] - [ -0.0009966400000000, -0.0001456100000000, 0.0006764000000000 ] - [ 0.0000718800000000, 0.0000560000000000, 0.0004895000000000 ] - [ -0.0011090500000000, 0.0029362400000000, 0.0046587500000000 ] - [ 0.0009413800000000, 0.0009433700000000, -0.0006027700000000 ] - [ -0.0009748900000000, -0.0020755200000000, -0.0037088900000000 ] - [ 0.0003811800000000, -0.0004114800000000, 0.0015426200000000 ] - [ 0.0009286400000000, -0.0023219600000000, -0.0001315400000000 ] - [ 0.0005196300000000, 0.0006062700000000, -0.0003609800000000 ] - [ 0.0009331000000000, -0.0003220400000000, 0.0001647700000000 ] - [ 0.0004346200000000, 0.0000635900000000, 0.0009948900000000 ] - [ 0.0004704300000000, -0.0047688300000000, -0.0005662500000000 ] - [ 0.0006505500000000, 0.0010395600000000, 0.0002157500000000 ] - [ 0.0009527400000000, 0.0004699100000000, -0.0002905300000000 ] - [ 0.0009606000000000, -0.0006194000000000, -0.0002365500000000 ] - [ -0.0023666700000000, -0.0009618200000000, 0.0005117300000000 ] - [ 0.0009674600000000, -0.0001374500000000, -0.0004828100000000 ] - [ -0.0023333000000000, 0.0000047200000000, -0.0002289300000000 ] - [ 0.0007770900000000, -0.0001923400000000, 0.0012936000000000 ] - [ -0.0025027500000000, -0.0004347100000000, -0.0003631100000000 ] - [ 0.0006711100000000, -0.0000356000000000, -0.0002013300000000 ] - [ -0.0005012900000000, -0.0013718000000000, 0.0012867700000000 ] - [ 0.0006583300000000, -0.0015744600000000, 0.0002962700000000 ] - [ -0.0005087200000000, 0.0000572300000000, -0.0016035400000000 ] - [ 0.0005173900000000, -0.0008022300000000, 0.0003432900000000 ] - [ -0.0001827400000000, 0.0004484800000000, -0.0005717200000000 ] - [ 0.0002074300000000, -0.0000343200000000, 0.0001016200000000 ] - [ -0.0002267100000000, 0.0008760500000000, 0.0005928800000000 ] - [ 0.0002203500000000, 0.0007171400000000, 0.0001777700000000 ] - [ 0.0001074200000000, -0.0001577900000000, -0.0003749800000000 ] - [ 0.0008061400000000, 0.0000744900000000, -0.0003549400000000 ] - [ -0.0002282200000000, 0.0001357200000000, -0.0005131600000000 ] - [ 0.0007008300000000, -0.0000605400000000, -0.0001085300000000 ] - [ -0.0002597200000000, -0.0001308600000000, -0.0003359600000000 ] - [ -0.0006479300000000, 0.0000473400000000, -0.0004034200000000 ] - [ -0.0000982100000000, -0.0000286100000000, 0.0008859400000000 ] - [ 0.0007610900000000, -0.0000871500000000, 0.0007248400000000 ] - [ -0.0001102900000000, -0.0003670400000000, 0.0000331500000000 ] - [ 0.0001083600000000, -0.0004114500000000, 0.0001053600000000 ] - [ -0.0000184000000000, 0.0000957800000000, -0.0005807900000000 ] - [ -0.0004790900000000, -0.0000089900000000, -0.0000180500000000 ] - [ -0.0001374300000000, -0.0000663400000000, 0.0010366300000000 ] - [ -0.0005217100000000, -0.0000522500000000, 0.0005780200000000 ] - [ -0.0004101400000000, 0.0007764000000000, 0.0001269100000000 ] - [ 0.0003968400000000, 0.0006745300000000, 0.0009952100000000 ]- atom: 65 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002564400000000, -0.0001331400000000, -0.0004678900000000 ] - [ 0.0002609900000000, -0.0000396300000000, -0.0004401600000000 ] - [ -0.0008093200000000, 0.0001736000000000, 0.0015686300000000 ] - [ 0.0005317500000000, 0.0003717500000000, -0.0002789600000000 ] - [ -0.0001453500000000, 0.0001314400000000, -0.0000998900000000 ] - [ 0.0001620000000000, -0.0001073600000000, 0.0008286400000000 ] - [ -0.0002371900000000, 0.0009399600000000, -0.0003075200000000 ] - [ 0.0002350800000000, 0.0008569300000000, 0.0000228600000000 ] - [ -0.0018386200000000, -0.0019490400000000, 0.0000955500000000 ] - [ 0.0013648100000000, 0.0004474700000000, 0.0010286300000000 ] - [ -0.0013590300000000, -0.0029267500000000, -0.0077559000000000 ] - [ 0.0026284600000000, 0.0004997900000000, 0.0018859100000000 ] - [ -0.0011878700000000, -0.0001858700000000, -0.0029951200000000 ] - [ 0.0009519300000000, 0.0002584100000000, -0.0001913500000000 ] - [ -0.0008919100000000, 0.0006115800000000, 0.0007056600000000 ] - [ 0.0020958600000000, -0.0005473100000000, -0.0016976200000000 ] - [ -0.0007924600000000, 0.0067508600000000, -0.0009709000000000 ] - [ 0.0038407900000000, -0.0020557300000000, 0.0002756100000000 ] - [ -0.0006610400000000, -0.0000304100000000, -0.0017313300000000 ] - [ 0.0011454700000000, -0.0006387900000000, 0.0002538100000000 ] - [ -0.0001410200000000, -0.0001965700000000, -0.0004543300000000 ] - [ 0.0001401800000000, -0.0002410100000000, -0.0004478700000000 ] - [ -0.0002655000000000, -0.0005279900000000, -0.0005377200000000 ] - [ 0.0002636200000000, 0.0001872700000000, 0.0006544400000000 ] - [ -0.0002093600000000, -0.0002354300000000, 0.0007664900000000 ] - [ 0.0002070400000000, -0.0002188600000000, 0.0004705800000000 ] - [ -0.0001926100000000, 0.0007680300000000, 0.0006240500000000 ] - [ 0.0001970200000000, 0.0011914600000000, -0.0005304000000000 ] - [ -0.0026619300000000, -0.0000000400000000, 0.0052716700000000 ] - [ 0.0033635300000000, 0.0017959900000000, -0.0013218500000000 ] - [ -0.0014448200000000, -0.0025785300000000, 0.0008201900000000 ] - [ 0.0012738500000000, -0.0007383100000000, -0.0005009000000000 ] - [ -0.0003156400000000, -0.0001341100000000, -0.0001543200000000 ] - [ 0.0003108900000000, -0.0001411200000000, -0.0012868400000000 ] - [ -0.0009851800000000, 0.0009855000000000, -0.0001666500000000 ] - [ 0.0011279500000000, -0.0005728000000000, 0.0009160800000000 ] - [ -0.0043883900000000, 0.0023920300000000, -0.0004866500000000 ] - [ 0.0022026700000000, -0.0006444400000000, -0.0003946900000000 ] - [ -0.0012118900000000, 0.0005529300000000, -0.0000502300000000 ] - [ 0.0012093100000000, -0.0003054500000000, -0.0014663400000000 ] - [ -0.0374192200000000, 0.0035132200000000, 0.0232654400000000 ] - [ 0.0083866900000000, 0.0029696000000000, 0.0035645000000000 ] - [ -0.0240926900000000, 0.0054579500000000, -0.0041871600000000 ] - [ 0.0068476500000000, 0.0017985100000000, -0.0047362800000000 ] - [ -0.0003719800000000, -0.0002692900000000, 0.0005305700000000 ] - [ 0.0003582800000000, -0.0002791700000000, 0.0007221600000000 ] - [ -0.0003110800000000, -0.0003940300000000, -0.0017271000000000 ] - [ 0.0002987200000000, -0.0006328500000000, -0.0023096400000000 ] - [ -0.0019855300000000, -0.0020052700000000, 0.0019517000000000 ] - [ 0.0015040100000000, 0.0000156500000000, 0.0006158900000000 ] - [ -0.0015844500000000, -0.0017210100000000, -0.0040453300000000 ] - [ 0.0012334500000000, 0.0001396800000000, -0.0012512400000000 ] - [ -0.0006340600000000, -0.0002891600000000, 0.0006783300000000 ] - [ 0.0006160000000000, -0.0003923400000000, 0.0004340300000000 ] - [ -0.0005081900000000, -0.0002307500000000, -0.0020966100000000 ] - [ 0.0005134600000000, -0.0005447700000000, -0.0017516900000000 ] - [ 0.0005059400000000, -0.0005349200000000, 0.0000696900000000 ] - [ -0.0004302000000000, -0.0008599800000000, 0.0009491800000000 ] - [ 0.0113491100000000, 0.0017940500000000, -0.0004778500000000 ] - [ -0.0032663000000000, -0.0015848200000000, -0.0009759600000000 ] - [ 0.0098743500000000, -0.0000718900000000, 0.0003476800000000 ] - [ -0.0028954300000000, -0.0005370300000000, 0.0018588300000000 ] - [ -0.0013963700000000, 0.0150638800000000, -0.0032775300000000 ] - [ -0.0020849000000000, -0.0003065200000000, 0.0003235600000000 ] - [ 0.1083205700000000, -0.0347853400000000, -0.0140208500000000 ] - [ -0.0045992700000000, 0.0003714900000000, -0.0001950300000000 ] - [ -0.0019831100000000, -0.0005526500000000, -0.0017293000000000 ] - [ -0.0139685500000000, 0.0104325200000000, 0.0038158300000000 ] - [ -0.0019469600000000, -0.0006734200000000, 0.0017990000000000 ] - [ -0.0100481500000000, 0.0024333400000000, -0.0046966500000000 ] - [ -0.0118173900000000, -0.0018521000000000, -0.0004858300000000 ] - [ -0.0303037500000000, 0.0022482200000000, -0.0015166900000000 ] - [ 0.0009506700000000, -0.0068013100000000, 0.0101065500000000 ] - [ -0.0019366900000000, -0.0007297800000000, -0.0002870700000000 ] - [ 0.0014208000000000, -0.0058193700000000, -0.0070891300000000 ] - [ -0.0017202200000000, 0.0002218200000000, 0.0004530100000000 ] - [ 0.0000806700000000, 0.0001007900000000, -0.0002227500000000 ] - [ -0.0000809500000000, 0.0001218100000000, 0.0001021600000000 ] - [ 0.0000761300000000, 0.0009214800000000, 0.0006270100000000 ] - [ -0.0000483500000000, 0.0007936700000000, 0.0000843000000000 ] - [ 0.0004995500000000, -0.0000420100000000, -0.0002824800000000 ] - [ 0.0005008900000000, 0.0000019700000000, -0.0002267300000000 ] - [ 0.0003868300000000, -0.0001053500000000, -0.0000445300000000 ] - [ 0.0002042500000000, 0.0001418900000000, -0.0004833700000000 ] - [ -0.0002728400000000, -0.0001037200000000, -0.0002984100000000 ] - [ -0.0007274700000000, 0.0000677500000000, -0.0002044500000000 ] - [ 0.0004037200000000, -0.0002126900000000, 0.0006393400000000 ] - [ 0.0001153900000000, 0.0001787400000000, 0.0013524200000000 ] - [ 0.0000678100000000, -0.0005641800000000, 0.0001306700000000 ] - [ -0.0000627800000000, -0.0003618800000000, 0.0002400100000000 ] - [ 0.0002037500000000, 0.0001217400000000, -0.0005312500000000 ] - [ -0.0007223400000000, -0.0000624300000000, -0.0000666500000000 ] - [ 0.0002671300000000, 0.0000781600000000, 0.0009376500000000 ] - [ -0.0007972800000000, -0.0001230900000000, 0.0011273800000000 ] - [ 0.0011012900000000, -0.0013158800000000, -0.0033690500000000 ] - [ -0.0009373800000000, 0.0006700100000000, 0.0018869000000000 ] - [ 0.0009679500000000, 0.0004668500000000, 0.0049689300000000 ] - [ -0.0003770800000000, -0.0011993100000000, -0.0002702500000000 ] - [ -0.0002897500000000, 0.0021510600000000, -0.0003542700000000 ] - [ 0.0001306700000000, -0.0007667100000000, -0.0001241200000000 ] - [ -0.0002083800000000, 0.0003885700000000, 0.0014466400000000 ] - [ 0.0002986500000000, 0.0000073500000000, 0.0006170500000000 ] - [ -0.0004867100000000, 0.0054448800000000, 0.0008165200000000 ] - [ -0.0006448500000000, -0.0003739100000000, 0.0000298300000000 ] - [ 0.0000411000000000, -0.0004111800000000, -0.0003111500000000 ] - [ 0.0000518500000000, 0.0006713600000000, -0.0003652100000000 ] - [ 0.0017112900000000, 0.0008062700000000, -0.0009959200000000 ] - [ -0.0016049800000000, -0.0000284200000000, 0.0000033500000000 ] - [ 0.0015949300000000, 0.0000669400000000, 0.0018413500000000 ] - [ -0.0015002800000000, 0.0002593200000000, 0.0003223300000000 ] - [ 0.0014918800000000, 0.0004875900000000, -0.0002408300000000 ] - [ -0.0016627300000000, 0.0000883300000000, -0.0004024700000000 ] - [ 0.0004952200000000, -0.0001626200000000, -0.0005026000000000 ] - [ -0.0006537000000000, 0.0000417100000000, 0.0004844600000000 ] - [ 0.0005024600000000, -0.0000732400000000, 0.0015053800000000 ] - [ -0.0005135100000000, 0.0007863800000000, -0.0004354100000000 ] - [ 0.0001820200000000, -0.0004277100000000, 0.0004817300000000 ] - [ -0.0002078300000000, 0.0000523000000000, -0.0001867600000000 ] - [ 0.0002265200000000, 0.0006599200000000, 0.0001913200000000 ] - [ -0.0002206900000000, 0.0008135200000000, 0.0006002900000000 ] - [ 0.0008897600000000, 0.0001087300000000, -0.0002221800000000 ] - [ 0.0001916600000000, -0.0001237400000000, -0.0002426500000000 ] - [ 0.0008690300000000, 0.0000230200000000, 0.0000324000000000 ] - [ -0.0000590900000000, 0.0002193900000000, -0.0003732500000000 ] - [ -0.0007373600000000, 0.0000814500000000, -0.0002641900000000 ] - [ -0.0003504300000000, -0.0000968200000000, -0.0001969300000000 ] - [ 0.0008243800000000, -0.0000405000000000, 0.0007256200000000 ] - [ -0.0000341500000000, 0.0000179100000000, 0.0008881700000000 ] - [ 0.0001098500000000, -0.0003103200000000, 0.0002167200000000 ] - [ -0.0001082600000000, -0.0002639600000000, 0.0001450900000000 ] - [ -0.0006233200000000, 0.0000633700000000, 0.0001022600000000 ] - [ -0.0001628500000000, 0.0001672500000000, -0.0004590400000000 ] - [ -0.0005909900000000, -0.0000026700000000, 0.0005791500000000 ] - [ -0.0002057600000000, -0.0000170200000000, 0.0010366200000000 ] - [ 0.0004101800000000, 0.0008269800000000, 0.0011468300000000 ] - [ -0.0003975900000000, 0.0009324800000000, 0.0002846700000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000727500000000, -0.0000485000000000, -0.0004231700000000 ] - [ 0.0000695000000000, -0.0000442700000000, -0.0004301000000000 ] - [ -0.0000668400000000, 0.0007491600000000, 0.0011888700000000 ] - [ 0.0001405400000000, 0.0004051100000000, 0.0002467800000000 ] - [ -0.0000292800000000, 0.0001415700000000, 0.0001640800000000 ] - [ 0.0000359300000000, 0.0000122100000000, 0.0005344300000000 ] - [ -0.0000443600000000, 0.0008979600000000, -0.0002869200000000 ] - [ 0.0000419700000000, 0.0008670000000000, -0.0000775600000000 ] - [ 0.0000591800000000, -0.0029251300000000, -0.0004771100000000 ] - [ 0.0000433700000000, -0.0003043700000000, 0.0005662300000000 ] - [ 0.0013535000000000, 0.0011604600000000, -0.0043794100000000 ] - [ -0.0003647800000000, -0.0001961600000000, -0.0001481600000000 ] - [ -0.0002341800000000, 0.0005854800000000, -0.0020538600000000 ] - [ 0.0002605500000000, 0.0002808100000000, -0.0008381100000000 ] - [ -0.0012324900000000, 0.0002734500000000, -0.0013932300000000 ] - [ 0.0010400600000000, -0.0003083800000000, -0.0008631700000000 ] - [ -0.0039182300000000, 0.0009838700000000, 0.0005672300000000 ] - [ 0.0023571700000000, 0.0002643900000000, -0.0003787200000000 ] - [ -0.0007622900000000, -0.0004563400000000, -0.0002505800000000 ] - [ 0.0005331700000000, -0.0002709000000000, -0.0003905100000000 ] - [ -0.0000308300000000, -0.0002644600000000, -0.0004800500000000 ] - [ 0.0000323300000000, -0.0002536900000000, -0.0004597600000000 ] - [ 0.0000458700000000, -0.0004981400000000, -0.0001554700000000 ] - [ -0.0000215300000000, -0.0001172800000000, 0.0002319400000000 ] - [ -0.0000669500000000, -0.0003702400000000, 0.0007444700000000 ] - [ 0.0000633000000000, -0.0002669100000000, 0.0005771400000000 ] - [ -0.0000535100000000, 0.0009428400000000, 0.0002636500000000 ] - [ 0.0000614000000000, 0.0010854400000000, -0.0002148900000000 ] - [ 0.0007387800000000, 0.0034311000000000, 0.0038613200000000 ] - [ 0.0001329100000000, 0.0007953700000000, 0.0009463700000000 ] - [ -0.0002426800000000, -0.0038604000000000, 0.0016660900000000 ] - [ 0.0000814900000000, -0.0013466400000000, -0.0000196400000000 ] - [ -0.0001094400000000, -0.0003092600000000, -0.0005410700000000 ] - [ 0.0001155200000000, -0.0001628400000000, -0.0008917100000000 ] - [ -0.0004450000000000, -0.0003301200000000, 0.0010351600000000 ] - [ 0.0004353900000000, -0.0003496700000000, 0.0006998400000000 ] - [ -0.0054581200000000, -0.0077355600000000, 0.0003176000000000 ] - [ 0.0008979000000000, 0.0000093000000000, -0.0003687000000000 ] - [ -0.0004679100000000, -0.0005382700000000, -0.0020652300000000 ] - [ 0.0004846400000000, -0.0001088600000000, -0.0011417300000000 ] - [ -0.0088970400000000, 0.0240312800000000, 0.0113315900000000 ] - [ 0.0007121000000000, 0.0026065900000000, 0.0012147000000000 ] - [ -0.0037011000000000, 0.0254778400000000, -0.0043207700000000 ] - [ 0.0010147700000000, 0.0023156900000000, -0.0017773400000000 ] - [ -0.0001872600000000, -0.0002861400000000, 0.0006746100000000 ] - [ 0.0002074900000000, -0.0003190400000000, 0.0007870500000000 ] - [ -0.0000915500000000, -0.0004778600000000, -0.0019921900000000 ] - [ 0.0001392700000000, -0.0005365900000000, -0.0019697600000000 ] - [ 0.0006636100000000, -0.0043119500000000, 0.0014070700000000 ] - [ -0.0003135900000000, -0.0008823000000000, 0.0009964100000000 ] - [ 0.0001758100000000, -0.0053369200000000, -0.0038615600000000 ] - [ -0.0001572700000000, -0.0010361000000000, -0.0021696100000000 ] - [ -0.0002658200000000, -0.0002876900000000, 0.0003206800000000 ] - [ 0.0002257200000000, -0.0003434400000000, 0.0004606900000000 ] - [ -0.0001720300000000, -0.0003263100000000, -0.0019898800000000 ] - [ 0.0001793200000000, -0.0004640600000000, -0.0018530500000000 ] - [ 0.0000337200000000, -0.0006071200000000, -0.0001517300000000 ] - [ -0.0000974600000000, -0.0007365800000000, 0.0006740600000000 ] - [ 0.0004429000000000, 0.0049881200000000, 0.0114540900000000 ] - [ -0.0004321000000000, -0.0005851600000000, -0.0003150000000000 ] - [ 0.0008769900000000, -0.0008703800000000, -0.0061527800000000 ] - [ -0.0003577500000000, -0.0003732200000000, 0.0009442800000000 ] - [ -0.0188306900000000, 0.0196819000000000, -0.0067595100000000 ] - [ 0.0002257900000000, -0.0005086600000000, -0.0001921300000000 ] - [ 0.0349012700000000, -0.0633880200000000, -0.0093447600000000 ] - [ 0.0001586700000000, -0.0004161900000000, -0.0004184800000000 ] - [ 0.0007621800000000, -0.0010492900000000, -0.0000072900000000 ] - [ -0.0046319600000000, 0.0063987400000000, 0.0011889000000000 ] - [ -0.0003203200000000, -0.0008835500000000, 0.0006579700000000 ] - [ -0.0049609100000000, 0.0024954000000000, -0.0025886600000000 ] - [ -0.0023866500000000, -0.0021017000000000, -0.0002390500000000 ] - [ 0.0017994900000000, -0.0076063900000000, -0.0011324900000000 ] - [ 0.0036392400000000, -0.0092019500000000, -0.0008655100000000 ] - [ -0.0008749800000000, -0.0015121500000000, 0.0005797900000000 ] - [ 0.0070234000000000, -0.0043418200000000, 0.0088090600000000 ] - [ -0.0006941200000000, -0.0007307000000000, -0.0002062600000000 ] - [ 0.0000419600000000, 0.0001581300000000, -0.0000936300000000 ] - [ -0.0000413000000000, 0.0001196300000000, -0.0000321100000000 ] - [ 0.0000357800000000, 0.0009336700000000, 0.0003842200000000 ] - [ -0.0000244200000000, 0.0008776400000000, 0.0002342200000000 ] - [ 0.0005251700000000, -0.0000109600000000, -0.0002766200000000 ] - [ 0.0004830000000000, -0.0000101000000000, -0.0002988900000000 ] - [ 0.0003578600000000, -0.0000568100000000, -0.0002173900000000 ] - [ 0.0001050100000000, 0.0001188700000000, -0.0005384300000000 ] - [ -0.0004210100000000, -0.0000414200000000, -0.0002821900000000 ] - [ -0.0005922000000000, 0.0000154600000000, -0.0003054300000000 ] - [ 0.0004018200000000, -0.0001499400000000, 0.0010205400000000 ] - [ 0.0002668500000000, -0.0000017500000000, 0.0010298500000000 ] - [ 0.0000259200000000, -0.0005280100000000, 0.0001742300000000 ] - [ -0.0000287800000000, -0.0004048200000000, 0.0001523600000000 ] - [ -0.0000844900000000, 0.0000521800000000, -0.0004634500000000 ] - [ -0.0004509800000000, -0.0000199500000000, -0.0002166900000000 ] - [ -0.0002044900000000, -0.0001005700000000, 0.0010391200000000 ] - [ -0.0004764000000000, -0.0000696900000000, 0.0009098000000000 ] - [ 0.0006242100000000, -0.0010257900000000, -0.0016958700000000 ] - [ -0.0002979600000000, 0.0004284300000000, 0.0008479900000000 ] - [ 0.0003780800000000, -0.0000839600000000, 0.0030933400000000 ] - [ 0.0001470700000000, -0.0008971500000000, 0.0007399000000000 ] - [ -0.0001039500000000, 0.0012302400000000, -0.0003178700000000 ] - [ 0.0011126800000000, 0.0004623700000000, -0.0008509800000000 ] - [ 0.0000456700000000, 0.0005901900000000, 0.0012049100000000 ] - [ 0.0007687800000000, 0.0008245200000000, 0.0008910500000000 ] - [ -0.0025457300000000, 0.0068211700000000, 0.0013034200000000 ] - [ 0.0004932700000000, 0.0008803200000000, 0.0002552600000000 ] - [ -0.0001406800000000, 0.0022826100000000, -0.0003061000000000 ] - [ 0.0009291000000000, 0.0022772600000000, -0.0004792400000000 ] - [ -0.0006823000000000, 0.0019364500000000, -0.0013153000000000 ] - [ -0.0004893300000000, 0.0000488500000000, -0.0002751500000000 ] - [ -0.0001203700000000, 0.0012951500000000, 0.0014019200000000 ] - [ -0.0005628400000000, 0.0002680000000000, 0.0007905900000000 ] - [ -0.0000373200000000, 0.0024250800000000, -0.0003667600000000 ] - [ -0.0004386900000000, 0.0003382000000000, -0.0003109400000000 ] - [ 0.0002721100000000, 0.0011531500000000, -0.0001529800000000 ] - [ -0.0003565700000000, 0.0001709800000000, 0.0001174500000000 ] - [ 0.0002336300000000, 0.0029475400000000, -0.0004432600000000 ] - [ -0.0003780700000000, 0.0011250700000000, 0.0000277500000000 ] - [ 0.0001012600000000, -0.0003219300000000, 0.0002935300000000 ] - [ -0.0000797700000000, -0.0000748000000000, -0.0000226900000000 ] - [ 0.0000908200000000, 0.0005652300000000, 0.0005368200000000 ] - [ -0.0000851500000000, 0.0007401900000000, 0.0005095800000000 ] - [ 0.0006323900000000, 0.0000072100000000, -0.0001680700000000 ] - [ 0.0004013200000000, -0.0000621700000000, -0.0002256800000000 ] - [ 0.0005062400000000, 0.0001290000000000, 0.0001001000000000 ] - [ 0.0002408700000000, 0.0001542100000000, -0.0002061700000000 ] - [ -0.0006058100000000, 0.0000157700000000, -0.0002359800000000 ] - [ -0.0004280800000000, -0.0000676700000000, -0.0001674900000000 ] - [ 0.0005051000000000, 0.0000185400000000, 0.0007345500000000 ] - [ 0.0002370300000000, -0.0000045300000000, 0.0008230200000000 ] - [ 0.0000402900000000, -0.0002463100000000, 0.0002256800000000 ] - [ -0.0000365600000000, -0.0002683400000000, 0.0001704700000000 ] - [ -0.0004842800000000, 0.0001015700000000, -0.0000321000000000 ] - [ -0.0002412200000000, 0.0001741800000000, -0.0001422100000000 ] - [ -0.0004400600000000, 0.0000099500000000, 0.0007245000000000 ] - [ -0.0003081500000000, 0.0000046600000000, 0.0008243400000000 ] - [ 0.0000509500000000, 0.0014452600000000, 0.0012417800000000 ] - [ -0.0000796600000000, 0.0010063000000000, 0.0005619000000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000737700000000, -0.0002440000000000, -0.0003884100000000 ] - [ -0.0000702600000000, -0.0002487700000000, -0.0003839800000000 ] - [ 0.0000702500000000, -0.0004250000000000, -0.0006054400000000 ] - [ -0.0001421100000000, -0.0000816900000000, 0.0003499000000000 ] - [ 0.0000301900000000, -0.0004412500000000, 0.0010169200000000 ] - [ -0.0000388300000000, -0.0003110400000000, 0.0006440600000000 ] - [ 0.0000443400000000, 0.0010359600000000, 0.0001411300000000 ] - [ -0.0000429800000000, 0.0010674400000000, -0.0000693400000000 ] - [ -0.0000496600000000, 0.0032338800000000, 0.0016427900000000 ] - [ -0.0000507800000000, 0.0006073800000000, 0.0006089600000000 ] - [ -0.0013191600000000, -0.0031387200000000, 0.0042049800000000 ] - [ 0.0003544000000000, -0.0017546200000000, -0.0000045800000000 ] - [ 0.0002375900000000, -0.0005612500000000, 0.0002678700000000 ] - [ -0.0002644100000000, -0.0002587400000000, -0.0009566800000000 ] - [ 0.0012346900000000, -0.0005941500000000, 0.0019887700000000 ] - [ -0.0010492100000000, -0.0000126800000000, 0.0014728700000000 ] - [ 0.0040537300000000, -0.0004594800000000, -0.0013802300000000 ] - [ -0.0023623400000000, 0.0000525600000000, -0.0004438500000000 ] - [ 0.0007675700000000, 0.0004412100000000, -0.0015410600000000 ] - [ -0.0005402400000000, 0.0002579300000000, -0.0014101100000000 ] - [ 0.0000292700000000, -0.0000268300000000, -0.0003335100000000 ] - [ -0.0000345200000000, -0.0000400300000000, -0.0003545700000000 ] - [ -0.0000448400000000, 0.0008208000000000, 0.0007605200000000 ] - [ 0.0000201900000000, 0.0004402400000000, 0.0003669200000000 ] - [ 0.0000663400000000, 0.0000723300000000, 0.0004363700000000 ] - [ -0.0000655900000000, -0.0000299800000000, 0.0006024800000000 ] - [ 0.0000530400000000, 0.0009893800000000, -0.0004115700000000 ] - [ -0.0000614300000000, 0.0008463900000000, 0.0000695200000000 ] - [ -0.0006927400000000, -0.0031828300000000, -0.0026420000000000 ] - [ -0.0001419100000000, -0.0005123000000000, 0.0002450900000000 ] - [ 0.0002454300000000, 0.0019378700000000, -0.0017930900000000 ] - [ -0.0000884600000000, -0.0005819200000000, -0.0001210300000000 ] - [ 0.0001107100000000, 0.0003332900000000, -0.0012611800000000 ] - [ -0.0001172900000000, 0.0001874900000000, -0.0009058900000000 ] - [ 0.0004502900000000, 0.0000034000000000, -0.0004476600000000 ] - [ -0.0004398300000000, 0.0000258600000000, -0.0001084500000000 ] - [ 0.0054815700000000, 0.0079837400000000, -0.0011287100000000 ] - [ -0.0009073800000000, 0.0002739400000000, -0.0004420100000000 ] - [ 0.0004707500000000, 0.0005045700000000, 0.0002700200000000 ] - [ -0.0004883500000000, 0.0000815400000000, -0.0006477500000000 ] - [ 0.0084756000000000, -0.0233279700000000, -0.0096552400000000 ] - [ -0.0007273300000000, -0.0019476000000000, 0.0000995100000000 ] - [ 0.0034183600000000, -0.0246127200000000, 0.0003653000000000 ] - [ -0.0010252000000000, -0.0013775100000000, -0.0018350300000000 ] - [ 0.0001889500000000, -0.0003669400000000, 0.0006280300000000 ] - [ -0.0002094700000000, -0.0003342100000000, 0.0005137900000000 ] - [ 0.0000925400000000, -0.0004544300000000, -0.0016219400000000 ] - [ -0.0001401200000000, -0.0003954700000000, -0.0016383200000000 ] - [ -0.0006775300000000, 0.0049860600000000, -0.0001255600000000 ] - [ 0.0003302300000000, 0.0015375700000000, 0.0002929200000000 ] - [ -0.0001817600000000, 0.0062995900000000, 0.0002832300000000 ] - [ 0.0001694700000000, 0.0019724300000000, -0.0014273400000000 ] - [ 0.0002671200000000, -0.0003661600000000, 0.0009800100000000 ] - [ -0.0002270400000000, -0.0003096500000000, 0.0008410800000000 ] - [ 0.0001741300000000, -0.0006086400000000, -0.0016237100000000 ] - [ -0.0001811400000000, -0.0004695700000000, -0.0017601400000000 ] - [ -0.0000356800000000, -0.0010080300000000, 0.0014258500000000 ] - [ 0.0000987100000000, -0.0008719100000000, 0.0006001600000000 ] - [ 0.0001746100000000, -0.0051542900000000, -0.0118319100000000 ] - [ 0.0010775600000000, 0.0004231500000000, -0.0001650300000000 ] - [ -0.0001631900000000, 0.0008981600000000, 0.0077681800000000 ] - [ 0.0010984700000000, 0.0004416500000000, 0.0006615000000000 ] - [ 0.0185294400000000, -0.0187154500000000, 0.0069392400000000 ] - [ -0.0002186800000000, 0.0011746100000000, 0.0004411000000000 ] - [ -0.0334095900000000, 0.0631041000000000, 0.0086813300000000 ] - [ 0.0008482100000000, 0.0004636100000000, -0.0001792900000000 ] - [ -0.0013884500000000, 0.0008803800000000, -0.0004712700000000 ] - [ 0.0041093200000000, -0.0066290500000000, -0.0017086200000000 ] - [ -0.0004077200000000, 0.0009507200000000, 0.0009537700000000 ] - [ 0.0043100600000000, -0.0024075900000000, 0.0042627600000000 ] - [ 0.0013780800000000, 0.0021522800000000, -0.0003636100000000 ] - [ -0.0026438300000000, 0.0076485200000000, 0.0005266100000000 ] - [ -0.0036366400000000, 0.0076862500000000, 0.0016370000000000 ] - [ 0.0008824600000000, -0.0000131100000000, 0.0001963900000000 ] - [ -0.0070370500000000, 0.0043901400000000, -0.0089129100000000 ] - [ 0.0006977600000000, 0.0007150800000000, 0.0001167600000000 ] - [ -0.0000430400000000, -0.0001412500000000, 0.0000070900000000 ] - [ 0.0000414600000000, -0.0001033400000000, -0.0000562000000000 ] - [ -0.0000360100000000, 0.0005972800000000, 0.0003964700000000 ] - [ 0.0000241600000000, 0.0006572300000000, 0.0005504800000000 ] - [ 0.0004716100000000, -0.0000382900000000, -0.0003197400000000 ] - [ 0.0005149300000000, -0.0000377000000000, -0.0003000600000000 ] - [ 0.0002780700000000, 0.0002178400000000, -0.0002641400000000 ] - [ 0.0005349800000000, 0.0000398300000000, 0.0000607100000000 ] - [ -0.0005768200000000, -0.0000079400000000, -0.0003172100000000 ] - [ -0.0004052300000000, -0.0000645300000000, -0.0002965000000000 ] - [ 0.0003275500000000, 0.0000827200000000, 0.0005898500000000 ] - [ 0.0004619300000000, -0.0000658300000000, 0.0005766400000000 ] - [ -0.0000263200000000, -0.0001473700000000, 0.0000777100000000 ] - [ 0.0000280600000000, -0.0002703200000000, 0.0000961500000000 ] - [ -0.0005551800000000, 0.0001070800000000, -0.0000118200000000 ] - [ -0.0001871400000000, 0.0001793400000000, -0.0002603300000000 ] - [ -0.0005268600000000, 0.0000331600000000, 0.0005735500000000 ] - [ -0.0002511200000000, 0.0000026000000000, 0.0006986700000000 ] - [ -0.0006297900000000, 0.0026383500000000, 0.0029830100000000 ] - [ 0.0002996500000000, 0.0011826500000000, 0.0004240900000000 ] - [ -0.0003809600000000, -0.0015203600000000, -0.0018162500000000 ] - [ -0.0001454100000000, -0.0007071100000000, 0.0005426200000000 ] - [ 0.0007515000000000, -0.0013861100000000, -0.0001560600000000 ] - [ -0.0004840800000000, -0.0006226000000000, 0.0003806900000000 ] - [ 0.0006934200000000, -0.0005189000000000, 0.0003923300000000 ] - [ -0.0000451500000000, -0.0007546900000000, 0.0007116100000000 ] - [ 0.0025808000000000, -0.0061974700000000, -0.0010689100000000 ] - [ -0.0005022500000000, -0.0002007100000000, -0.0000100100000000 ] - [ 0.0011502900000000, -0.0022358800000000, -0.0002925200000000 ] - [ 0.0000454800000000, -0.0022407600000000, -0.0001149500000000 ] - [ 0.0000459900000000, -0.0021041700000000, 0.0008557100000000 ] - [ -0.0001513800000000, -0.0002027300000000, -0.0001988000000000 ] - [ -0.0006155500000000, -0.0012246000000000, 0.0001943300000000 ] - [ -0.0001681700000000, -0.0001977800000000, 0.0008177900000000 ] - [ -0.0009580400000000, -0.0023840700000000, -0.0002331400000000 ] - [ -0.0005617900000000, -0.0002908500000000, -0.0002915500000000 ] - [ -0.0002726000000000, -0.0026964500000000, 0.0009455800000000 ] - [ 0.0003582200000000, -0.0017159400000000, 0.0006710500000000 ] - [ -0.0002330900000000, -0.0029766200000000, 0.0003420400000000 ] - [ 0.0003761100000000, -0.0011515400000000, -0.0001215800000000 ] - [ -0.0001016300000000, 0.0003428400000000, -0.0003845200000000 ] - [ 0.0000802300000000, 0.0000946700000000, -0.0000659200000000 ] - [ -0.0000909000000000, 0.0009707500000000, 0.0002466400000000 ] - [ 0.0000853100000000, 0.0007938400000000, 0.0002713900000000 ] - [ 0.0003656200000000, -0.0000552300000000, -0.0004281500000000 ] - [ 0.0005981400000000, 0.0000146600000000, -0.0003721100000000 ] - [ 0.0001306400000000, 0.0000318600000000, -0.0005815800000000 ] - [ 0.0003983200000000, 0.0000054800000000, -0.0002746600000000 ] - [ -0.0003918600000000, -0.0000636900000000, -0.0003642600000000 ] - [ -0.0005716900000000, 0.0000197700000000, -0.0004322300000000 ] - [ 0.0002227700000000, -0.0000857500000000, 0.0008763700000000 ] - [ 0.0004926400000000, -0.0000629600000000, 0.0007874700000000 ] - [ -0.0000406900000000, -0.0004308200000000, 0.0000252100000000 ] - [ 0.0000370900000000, -0.0004074800000000, 0.0000799600000000 ] - [ -0.0001531400000000, 0.0000588600000000, -0.0004465800000000 ] - [ -0.0003975900000000, -0.0000143600000000, -0.0003342600000000 ] - [ -0.0002885200000000, -0.0000769500000000, 0.0008899500000000 ] - [ -0.0004227000000000, -0.0000724700000000, 0.0007886500000000 ] - [ -0.0000538100000000, 0.0001589600000000, 0.0000389900000000 ] - [ 0.0000810600000000, 0.0005999800000000, 0.0007186000000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000107200000000, -0.0002872700000000, -0.0017948100000000 ] - [ 0.0000026400000000, -0.0002091200000000, -0.0013680900000000 ] - [ -0.0000572700000000, 0.0005022400000000, -0.0047333500000000 ] - [ 0.0001061700000000, 0.0000431500000000, -0.0005902000000000 ] - [ 0.0002277700000000, 0.0000188900000000, -0.0010667600000000 ] - [ -0.0002258700000000, -0.0001586700000000, -0.0006450000000000 ] - [ 0.0000330200000000, 0.0008731500000000, -0.0014415500000000 ] - [ -0.0000180200000000, 0.0008542300000000, -0.0008820200000000 ] - [ 0.0000759400000000, -0.0030111200000000, 0.0031116900000000 ] - [ -0.0000366500000000, 0.0000186000000000, 0.0015359900000000 ] - [ 0.0038327100000000, -0.0041476200000000, -0.0001145700000000 ] - [ -0.0023998700000000, -0.0022862600000000, 0.0020657200000000 ] - [ 0.0001704000000000, -0.0002671300000000, -0.0063815700000000 ] - [ -0.0002427200000000, 0.0000133900000000, -0.0016869500000000 ] - [ -0.0027502500000000, -0.0015689600000000, -0.0026937400000000 ] - [ 0.0024559000000000, -0.0007712500000000, -0.0024551600000000 ] - [ 0.0005336600000000, 0.0005224300000000, 0.0071022600000000 ] - [ 0.0000046300000000, -0.0002904200000000, 0.0040630300000000 ] - [ 0.0020877100000000, 0.0018101000000000, -0.0027787700000000 ] - [ -0.0017130200000000, 0.0015225600000000, -0.0025188000000000 ] - [ 0.0000190900000000, -0.0002213800000000, -0.0013791600000000 ] - [ -0.0000132300000000, -0.0001978100000000, -0.0013060900000000 ] - [ 0.0004182300000000, -0.0005287500000000, -0.0006065500000000 ] - [ -0.0003779100000000, -0.0000295700000000, -0.0003196300000000 ] - [ -0.0000199700000000, 0.0000760100000000, -0.0008556000000000 ] - [ 0.0000095900000000, -0.0000214400000000, -0.0002835000000000 ] - [ -0.0002053500000000, 0.0013796000000000, -0.0018441700000000 ] - [ 0.0002047800000000, 0.0012790900000000, -0.0014327200000000 ] - [ -0.0013011600000000, 0.0005092500000000, 0.0067171400000000 ] - [ 0.0023667800000000, 0.0016129000000000, 0.0023253500000000 ] - [ -0.0001727900000000, 0.0015025900000000, 0.0010371900000000 ] - [ 0.0001404400000000, -0.0007050900000000, 0.0008828200000000 ] - [ -0.0003675000000000, -0.0000458100000000, -0.0016924300000000 ] - [ 0.0003616200000000, -0.0001839000000000, -0.0014844300000000 ] - [ 0.0003388300000000, 0.0024086300000000, -0.0013347500000000 ] - [ -0.0003878500000000, 0.0002479600000000, -0.0000493400000000 ] - [ -0.0005883900000000, -0.0012048700000000, 0.0058426900000000 ] - [ 0.0000276300000000, -0.0000434100000000, 0.0012640200000000 ] - [ -0.0004566800000000, -0.0024238300000000, -0.0039423400000000 ] - [ 0.0004733900000000, -0.0003937400000000, -0.0012310700000000 ] - [ 0.0001052700000000, -0.0086287100000000, 0.0442276300000000 ] - [ -0.0004209100000000, 0.0009156900000000, 0.0051669200000000 ] - [ -0.0264418000000000, 0.0075385500000000, 0.0152194000000000 ] - [ 0.0008192200000000, 0.0008278400000000, 0.0030016100000000 ] - [ 0.0005916900000000, 0.0001273000000000, -0.0023599100000000 ] - [ -0.0006179900000000, 0.0000435200000000, -0.0023122200000000 ] - [ -0.0003863500000000, -0.0008076800000000, -0.0050636500000000 ] - [ 0.0002364500000000, -0.0008044600000000, -0.0049691400000000 ] - [ -0.0006936400000000, 0.0013824200000000, 0.0060600700000000 ] - [ 0.0007376500000000, 0.0000447000000000, 0.0044800600000000 ] - [ 0.0007988300000000, -0.0002583400000000, 0.0018519100000000 ] - [ -0.0008270000000000, 0.0006589400000000, 0.0016596000000000 ] - [ -0.0002079400000000, -0.0003187000000000, -0.0025954000000000 ] - [ 0.0001349200000000, -0.0001175900000000, -0.0014050100000000 ] - [ 0.0000709500000000, 0.0005066800000000, -0.0048382800000000 ] - [ -0.0000790500000000, -0.0001146400000000, -0.0038794900000000 ] - [ 0.0001555200000000, -0.0025030000000000, 0.0019105300000000 ] - [ 0.0000059900000000, -0.0011074800000000, 0.0008953600000000 ] - [ 0.0023388300000000, 0.0162842600000000, 0.0125440700000000 ] - [ -0.0009421900000000, -0.0004799200000000, -0.0016204600000000 ] - [ 0.0004748100000000, -0.0076554200000000, 0.0151963000000000 ] - [ 0.0020635000000000, 0.0001065600000000, -0.0002596500000000 ] - [ 0.0045577000000000, -0.0075858900000000, -0.0138325600000000 ] - [ -0.0001420100000000, 0.0000544700000000, -0.0017887400000000 ] - [ 0.0151251400000000, -0.0096333500000000, -0.1102436300000000 ] - [ 0.0003963600000000, -0.0000952500000000, -0.0028635300000000 ] - [ 0.0013899800000000, -0.0001506700000000, -0.0019284200000000 ] - [ -0.0196142400000000, 0.0173607800000000, 0.0071202300000000 ] - [ -0.0029592900000000, -0.0003141300000000, -0.0002629100000000 ] - [ 0.0198305100000000, -0.0062906200000000, 0.0122995900000000 ] - [ -0.0007085700000000, 0.0000854300000000, -0.0043439900000000 ] - [ -0.0016003100000000, -0.0008273900000000, -0.0166214500000000 ] - [ -0.0081731800000000, -0.0057862000000000, 0.0136315600000000 ] - [ 0.0008611000000000, 0.0001137000000000, -0.0006287700000000 ] - [ 0.0112408700000000, 0.0097092400000000, 0.0120239200000000 ] - [ -0.0007859500000000, -0.0004585200000000, -0.0010430600000000 ] - [ 0.0000872200000000, -0.0000324000000000, 0.0008162500000000 ] - [ -0.0000774500000000, -0.0000046800000000, 0.0007489800000000 ] - [ -0.0000974100000000, 0.0011457100000000, 0.0017011200000000 ] - [ 0.0000705800000000, 0.0010406000000000, 0.0017610900000000 ] - [ 0.0004283400000000, -0.0000236000000000, 0.0012088500000000 ] - [ 0.0004850700000000, -0.0000434400000000, 0.0012077600000000 ] - [ 0.0003651700000000, -0.0001831000000000, 0.0006459100000000 ] - [ 0.0014741900000000, -0.0005620600000000, 0.0017078100000000 ] - [ -0.0004983600000000, -0.0000405700000000, 0.0012400100000000 ] - [ -0.0004059600000000, -0.0000178500000000, 0.0011809800000000 ] - [ 0.0001737600000000, 0.0002766500000000, 0.0022363900000000 ] - [ -0.0006940500000000, 0.0006182900000000, 0.0026220900000000 ] - [ -0.0000197700000000, -0.0004679300000000, 0.0016003600000000 ] - [ 0.0000305100000000, -0.0004561000000000, 0.0014898400000000 ] - [ -0.0013899600000000, -0.0005860000000000, 0.0016337400000000 ] - [ -0.0003804400000000, -0.0000984700000000, 0.0006344700000000 ] - [ 0.0007486200000000, 0.0007533700000000, 0.0027659600000000 ] - [ -0.0001741400000000, 0.0002173500000000, 0.0023847500000000 ] - [ 0.0009735500000000, 0.0011476800000000, 0.0039652200000000 ] - [ -0.0013938000000000, 0.0000263000000000, 0.0017869000000000 ] - [ -0.0001856200000000, 0.0005615300000000, 0.0043217900000000 ] - [ 0.0008569500000000, -0.0002615800000000, 0.0015309000000000 ] - [ 0.0007051400000000, -0.0023629100000000, -0.0014642400000000 ] - [ -0.0006331200000000, -0.0010985000000000, -0.0016101300000000 ] - [ 0.0004018800000000, 0.0006023800000000, 0.0001466700000000 ] - [ 0.0017884800000000, 0.0008608100000000, -0.0003843700000000 ] - [ -0.0003979600000000, 0.0017606900000000, -0.0031126100000000 ] - [ 0.0000701100000000, 0.0005201900000000, -0.0018716100000000 ] - [ 0.0005633900000000, -0.0001631900000000, -0.0026073600000000 ] - [ 0.0005180600000000, 0.0000178900000000, -0.0026087100000000 ] - [ 0.0005128100000000, -0.0024830300000000, -0.0018091800000000 ] - [ -0.0003915700000000, -0.0004846800000000, -0.0009299100000000 ] - [ -0.0016834200000000, 0.0011807000000000, -0.0004089700000000 ] - [ -0.0005765200000000, 0.0002634400000000, 0.0001592200000000 ] - [ -0.0004418400000000, -0.0000440000000000, -0.0030024300000000 ] - [ -0.0006011000000000, 0.0000124000000000, -0.0020888500000000 ] - [ 0.0006575000000000, 0.0006012900000000, -0.0007494900000000 ] - [ -0.0007782300000000, 0.0011567800000000, -0.0006768900000000 ] - [ -0.0005575900000000, -0.0009949800000000, -0.0014625500000000 ] - [ 0.0005547200000000, -0.0010467300000000, -0.0015430400000000 ] - [ -0.0000437100000000, -0.0014163000000000, 0.0020654700000000 ] - [ 0.0000498700000000, -0.0004993700000000, 0.0008368000000000 ] - [ 0.0000727200000000, 0.0017465900000000, 0.0021914200000000 ] - [ -0.0000759100000000, 0.0011897800000000, 0.0012135400000000 ] - [ 0.0004258500000000, -0.0001522800000000, 0.0013011700000000 ] - [ 0.0004444600000000, -0.0000962400000000, 0.0008075600000000 ] - [ 0.0005765900000000, -0.0001296800000000, 0.0010417100000000 ] - [ 0.0006187300000000, -0.0001237100000000, 0.0005015800000000 ] - [ -0.0004646900000000, -0.0000871600000000, 0.0008715100000000 ] - [ -0.0003989900000000, -0.0001549500000000, 0.0012311500000000 ] - [ 0.0000565200000000, -0.0000210600000000, 0.0018663800000000 ] - [ -0.0000196300000000, 0.0000311000000000, 0.0015106000000000 ] - [ 0.0000114500000000, -0.0005310000000000, 0.0016097400000000 ] - [ -0.0000053900000000, -0.0004522300000000, 0.0010997400000000 ] - [ -0.0007899400000000, -0.0001371200000000, 0.0006497900000000 ] - [ -0.0003730700000000, -0.0001347400000000, 0.0007738300000000 ] - [ 0.0001402200000000, 0.0000061700000000, 0.0015852500000000 ] - [ -0.0001725300000000, 0.0000009100000000, 0.0018069900000000 ] - [ -0.0000925800000000, 0.0008423500000000, 0.0015877200000000 ] - [ 0.0000502900000000, 0.0007912700000000, 0.0008180300000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000109000000000, -0.0000064000000000, 0.0009841300000000 ] - [ -0.0000020100000000, -0.0000840200000000, 0.0005542000000000 ] - [ 0.0000609100000000, -0.0001812200000000, 0.0053557300000000 ] - [ -0.0001058400000000, 0.0002837800000000, 0.0011826600000000 ] - [ -0.0002297300000000, -0.0003179400000000, 0.0022517400000000 ] - [ 0.0002260800000000, -0.0001394000000000, 0.0018289900000000 ] - [ -0.0000344900000000, 0.0010587900000000, 0.0012948600000000 ] - [ 0.0000185700000000, 0.0010780800000000, 0.0007369900000000 ] - [ -0.0000759700000000, 0.0033005400000000, -0.0019088900000000 ] - [ 0.0000401200000000, 0.0002846300000000, -0.0003458500000000 ] - [ -0.0037279500000000, 0.0021517300000000, -0.0002416400000000 ] - [ 0.0024108900000000, 0.0003494100000000, -0.0022445400000000 ] - [ -0.0001726000000000, 0.0002895300000000, 0.0045706000000000 ] - [ 0.0002439100000000, 0.0000121800000000, -0.0000989500000000 ] - [ 0.0027317800000000, 0.0012411500000000, 0.0032844600000000 ] - [ -0.0024504600000000, 0.0004468800000000, 0.0030570700000000 ] - [ -0.0004802200000000, -0.0001437700000000, -0.0079339000000000 ] - [ -0.0000122300000000, 0.0005962300000000, -0.0048768100000000 ] - [ -0.0021076600000000, -0.0018503200000000, 0.0009871700000000 ] - [ 0.0017214700000000, -0.0015514200000000, 0.0007201800000000 ] - [ -0.0000223000000000, -0.0000720600000000, 0.0005663100000000 ] - [ 0.0000131100000000, -0.0000982500000000, 0.0004923300000000 ] - [ -0.0004209300000000, 0.0008550300000000, 0.0011984700000000 ] - [ 0.0003802900000000, 0.0003555700000000, 0.0009127900000000 ] - [ 0.0000186500000000, -0.0003761600000000, 0.0020420900000000 ] - [ -0.0000108000000000, -0.0002784900000000, 0.0014648900000000 ] - [ 0.0002029300000000, 0.0005538300000000, 0.0016976100000000 ] - [ -0.0002028100000000, 0.0006557500000000, 0.0012843500000000 ] - [ 0.0015050500000000, -0.0003392000000000, -0.0052474700000000 ] - [ -0.0023632700000000, -0.0013149100000000, -0.0011136500000000 ] - [ 0.0001733600000000, -0.0034411700000000, -0.0012104900000000 ] - [ -0.0001372400000000, -0.0012288000000000, -0.0010423800000000 ] - [ 0.0003668000000000, 0.0000692200000000, -0.0000945700000000 ] - [ -0.0003612700000000, 0.0002066300000000, -0.0003048000000000 ] - [ -0.0003398100000000, -0.0027179700000000, 0.0019342400000000 ] - [ 0.0003882500000000, -0.0005736700000000, 0.0006536000000000 ] - [ 0.0005445100000000, 0.0014135300000000, -0.0066689700000000 ] - [ -0.0000224000000000, 0.0003330300000000, -0.0020788600000000 ] - [ 0.0004549100000000, 0.0024199300000000, 0.0021622100000000 ] - [ -0.0004738300000000, 0.0003711000000000, -0.0005681400000000 ] - [ -0.0018366600000000, 0.0101053900000000, -0.0417109500000000 ] - [ 0.0004404200000000, -0.0002540500000000, -0.0038400100000000 ] - [ 0.0255653000000000, -0.0061087900000000, -0.0198531700000000 ] - [ -0.0008103200000000, 0.0001029400000000, -0.0066523800000000 ] - [ -0.0005964100000000, -0.0007813500000000, 0.0036640300000000 ] - [ 0.0006226700000000, -0.0006976100000000, 0.0036126100000000 ] - [ 0.0003835700000000, -0.0001277700000000, 0.0014573800000000 ] - [ -0.0002359500000000, -0.0001316900000000, 0.0013649900000000 ] - [ 0.0006964100000000, -0.0007340800000000, -0.0047379600000000 ] - [ -0.0007426800000000, 0.0006075900000000, -0.0031703300000000 ] - [ -0.0008009500000000, 0.0011837200000000, -0.0054919500000000 ] - [ 0.0008256500000000, 0.0002740100000000, -0.0052852700000000 ] - [ 0.0002081900000000, -0.0003308900000000, 0.0038995500000000 ] - [ -0.0001338700000000, -0.0005336500000000, 0.0027023300000000 ] - [ -0.0000708800000000, -0.0014371500000000, 0.0012327300000000 ] - [ 0.0000789400000000, -0.0008172900000000, 0.0002759000000000 ] - [ -0.0001591200000000, 0.0009119100000000, -0.0006314700000000 ] - [ -0.0000061100000000, -0.0004986900000000, 0.0003874400000000 ] - [ -0.0016375000000000, -0.0162176800000000, -0.0129025500000000 ] - [ 0.0015668900000000, 0.0003101900000000, 0.0011262400000000 ] - [ 0.0002964000000000, 0.0078798200000000, -0.0138347800000000 ] - [ -0.0013495600000000, -0.0000417300000000, 0.0018835300000000 ] - [ -0.0044539600000000, 0.0081517400000000, 0.0142081200000000 ] - [ 0.0001335000000000, 0.0006181500000000, 0.0020454400000000 ] - [ -0.0116051700000000, 0.0084034100000000, 0.1094343300000000 ] - [ 0.0005973400000000, 0.0001481100000000, 0.0022697400000000 ] - [ -0.0020265200000000, -0.0000146500000000, 0.0014308400000000 ] - [ 0.0188640600000000, -0.0173852800000000, -0.0074303400000000 ] - [ 0.0022453700000000, 0.0003799800000000, 0.0018929200000000 ] - [ -0.0207199100000000, 0.0064009500000000, -0.0108636000000000 ] - [ -0.0003316000000000, -0.0000354100000000, 0.0037459900000000 ] - [ 0.0008123900000000, 0.0008377700000000, 0.0160143200000000 ] - [ 0.0080478600000000, 0.0041523900000000, -0.0126902400000000 ] - [ -0.0008616300000000, -0.0016363100000000, 0.0013966900000000 ] - [ -0.0114153500000000, -0.0099229600000000, -0.0122697200000000 ] - [ 0.0007873400000000, 0.0004512200000000, 0.0009644200000000 ] - [ -0.0000874400000000, 0.0000482600000000, -0.0009064900000000 ] - [ 0.0000770300000000, 0.0000206400000000, -0.0008388400000000 ] - [ 0.0000979500000000, 0.0003857500000000, -0.0009230000000000 ] - [ -0.0000713500000000, 0.0004947400000000, -0.0009807900000000 ] - [ 0.0005661800000000, -0.0000264400000000, -0.0018099600000000 ] - [ 0.0005097300000000, -0.0000048300000000, -0.0018110100000000 ] - [ 0.0002723500000000, 0.0003447900000000, -0.0011279600000000 ] - [ -0.0008418700000000, 0.0007264900000000, -0.0021964000000000 ] - [ -0.0004943700000000, -0.0000100200000000, -0.0018445900000000 ] - [ -0.0005908500000000, -0.0000310700000000, -0.0017866500000000 ] - [ 0.0005522400000000, -0.0003432300000000, -0.0006253400000000 ] - [ 0.0014165600000000, -0.0006830200000000, -0.0010089900000000 ] - [ 0.0000204200000000, -0.0002033500000000, -0.0013533900000000 ] - [ -0.0000318700000000, -0.0002152500000000, -0.0012448800000000 ] - [ 0.0007595300000000, 0.0007506400000000, -0.0021193500000000 ] - [ -0.0002611700000000, 0.0002580300000000, -0.0011116800000000 ] - [ -0.0014698600000000, -0.0008171100000000, -0.0011486800000000 ] - [ -0.0005531300000000, -0.0002842000000000, -0.0007676900000000 ] - [ -0.0009657500000000, 0.0004512400000000, -0.0026975700000000 ] - [ 0.0013856900000000, 0.0015776900000000, -0.0005146100000000 ] - [ 0.0001887800000000, -0.0021703900000000, -0.0030419900000000 ] - [ -0.0008648400000000, -0.0013513100000000, -0.0002506900000000 ] - [ -0.0000701500000000, 0.0021963300000000, 0.0009748000000000 ] - [ 0.0012717600000000, 0.0009386300000000, 0.0011182900000000 ] - [ 0.0003170400000000, -0.0005407900000000, 0.0014754800000000 ] - [ -0.0010692700000000, -0.0008014500000000, 0.0020085500000000 ] - [ 0.0003796500000000, -0.0010566500000000, 0.0033747200000000 ] - [ -0.0000645700000000, 0.0001531400000000, 0.0021236100000000 ] - [ 0.0004276300000000, 0.0002053300000000, 0.0020053400000000 ] - [ 0.0004904900000000, 0.0000352100000000, 0.0020043100000000 ] - [ -0.0011494100000000, 0.0023253100000000, 0.0013152700000000 ] - [ -0.0002464100000000, 0.0003243600000000, 0.0004493800000000 ] - [ 0.0009682800000000, -0.0011232600000000, 0.0020396400000000 ] - [ -0.0001469300000000, -0.0001989600000000, 0.0014622800000000 ] - [ -0.0005565300000000, 0.0000936900000000, 0.0023955200000000 ] - [ -0.0003934700000000, 0.0000357400000000, 0.0014861200000000 ] - [ -0.0006549600000000, -0.0021292000000000, 0.0015203600000000 ] - [ 0.0007760100000000, -0.0026842300000000, 0.0014505600000000 ] - [ 0.0005592800000000, 0.0009849000000000, 0.0013961300000000 ] - [ -0.0005550300000000, 0.0010382600000000, 0.0014669000000000 ] - [ 0.0000440100000000, 0.0014270700000000, -0.0021517300000000 ] - [ -0.0000503200000000, 0.0005127200000000, -0.0009262600000000 ] - [ -0.0000718500000000, -0.0002179900000000, -0.0014156000000000 ] - [ 0.0000754500000000, 0.0003412100000000, -0.0004323500000000 ] - [ 0.0005710600000000, 0.0001029700000000, -0.0019022500000000 ] - [ 0.0005492800000000, 0.0000459100000000, -0.0014090200000000 ] - [ 0.0000645500000000, 0.0002902300000000, -0.0015251300000000 ] - [ 0.0000179600000000, 0.0002856200000000, -0.0009832900000000 ] - [ -0.0005292800000000, 0.0000371800000000, -0.0014755900000000 ] - [ -0.0005975400000000, 0.0001049500000000, -0.0018355800000000 ] - [ 0.0006713700000000, -0.0000465400000000, -0.0002575400000000 ] - [ 0.0007432900000000, -0.0000981200000000, 0.0000994000000000 ] - [ -0.0000113200000000, -0.0001421800000000, -0.0013639200000000 ] - [ 0.0000054400000000, -0.0002183100000000, -0.0008533500000000 ] - [ 0.0001521400000000, 0.0002989100000000, -0.0011270800000000 ] - [ -0.0002672000000000, 0.0002953300000000, -0.0012524300000000 ] - [ -0.0008656800000000, -0.0000730300000000, 0.0000272000000000 ] - [ -0.0005551100000000, -0.0000686700000000, -0.0001944600000000 ] - [ 0.0000926600000000, 0.0007672600000000, -0.0003133500000000 ] - [ -0.0000513200000000, 0.0008174400000000, 0.0004530100000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001761500000000, -0.0001468600000000, -0.0004060000000000 ] - [ -0.0001973100000000, -0.0001476500000000, -0.0004084800000000 ] - [ 0.0000935000000000, 0.0001625800000000, 0.0002911000000000 ] - [ -0.0000846100000000, 0.0001627100000000, 0.0002972700000000 ] - [ 0.0000008600000000, -0.0001412400000000, 0.0005774900000000 ] - [ -0.0000018500000000, -0.0001580700000000, 0.0006019200000000 ] - [ 0.0002063100000000, 0.0009673500000000, -0.0000722300000000 ] - [ -0.0002458800000000, 0.0009681200000000, -0.0000762600000000 ] - [ 0.0017984700000000, 0.0001600600000000, 0.0005936800000000 ] - [ -0.0009278400000000, 0.0001504800000000, 0.0005917100000000 ] - [ -0.0002696200000000, -0.0008656000000000, 0.0008103000000000 ] - [ -0.0002799700000000, -0.0010764500000000, -0.0009584000000000 ] - [ 0.0046466600000000, -0.0000112000000000, -0.0009062800000000 ] - [ -0.0015107000000000, 0.0000085500000000, -0.0009016900000000 ] - [ -0.0008527000000000, -0.0015178500000000, -0.0006709600000000 ] - [ -0.0008630500000000, 0.0011769700000000, 0.0012702600000000 ] - [ -0.0008066000000000, -0.0006118600000000, 0.0005262300000000 ] - [ -0.0008320500000000, 0.0009067100000000, -0.0013350400000000 ] - [ -0.0000229600000000, 0.0000313200000000, -0.0007410300000000 ] - [ -0.0000303700000000, -0.0000518400000000, -0.0010561800000000 ] - [ 0.0000014300000000, -0.0001547200000000, -0.0004852300000000 ] - [ -0.0000004600000000, -0.0001384500000000, -0.0003296200000000 ] - [ 0.0000012800000000, 0.0001679200000000, 0.0004623300000000 ] - [ -0.0000013300000000, 0.0001571900000000, 0.0001307100000000 ] - [ 0.0000748800000000, -0.0001492200000000, 0.0005903800000000 ] - [ -0.0000740100000000, -0.0001489400000000, 0.0005901900000000 ] - [ -0.0000198700000000, 0.0012866000000000, -0.0012995500000000 ] - [ -0.0000230000000000, 0.0006514500000000, 0.0011379500000000 ] - [ -0.0058833700000000, 0.0011018100000000, 0.0017460700000000 ] - [ -0.0060210200000000, -0.0008222900000000, -0.0005710800000000 ] - [ 0.0004333200000000, -0.0009570400000000, -0.0000788200000000 ] - [ -0.0004044900000000, -0.0009673700000000, -0.0000737900000000 ] - [ -0.0000033200000000, 0.0001059400000000, -0.0016141900000000 ] - [ -0.0000106800000000, -0.0000786600000000, -0.0001846700000000 ] - [ 0.0022654100000000, -0.0001227100000000, 0.0002512000000000 ] - [ -0.0012158100000000, -0.0001579700000000, 0.0002918100000000 ] - [ 0.0029370400000000, 0.0001393600000000, -0.0004017800000000 ] - [ -0.0012519500000000, 0.0001486100000000, -0.0004000600000000 ] - [ 0.0002177600000000, -0.0000136800000000, -0.0008993500000000 ] - [ -0.0002205700000000, -0.0000124500000000, -0.0008955300000000 ] - [ 0.0244124700000000, -0.0000574100000000, 0.0009028700000000 ] - [ -0.0035998700000000, 0.0003078800000000, 0.0006610100000000 ] - [ 0.0061153500000000, 0.0004173400000000, -0.0018395900000000 ] - [ -0.0016727300000000, 0.0004636700000000, -0.0017933100000000 ] - [ -0.0000031300000000, -0.0003654500000000, 0.0005033200000000 ] - [ -0.0000069600000000, -0.0002855900000000, 0.0007965700000000 ] - [ 0.0002258600000000, -0.0005491400000000, -0.0021807200000000 ] - [ 0.0002175800000000, -0.0003866800000000, -0.0014316500000000 ] - [ -0.0013508400000000, 0.0024648100000000, 0.0026323700000000 ] - [ -0.0013566800000000, -0.0017824500000000, -0.0013051900000000 ] - [ 0.0000435400000000, 0.0008859300000000, -0.0006922500000000 ] - [ 0.0000333400000000, 0.0000579300000000, -0.0029032400000000 ] - [ 0.0002387800000000, -0.0003244900000000, 0.0006494400000000 ] - [ -0.0002417400000000, -0.0003243000000000, 0.0006483500000000 ] - [ 0.0005813000000000, -0.0004672100000000, -0.0018033500000000 ] - [ -0.0006540800000000, -0.0004644100000000, -0.0018085000000000 ] - [ -0.0000894300000000, -0.0008051300000000, 0.0006428000000000 ] - [ 0.0000752600000000, -0.0008051100000000, 0.0006383900000000 ] - [ -0.0008655400000000, 0.0090174000000000, -0.0044774900000000 ] - [ 0.0018006300000000, 0.0000464700000000, 0.0001549800000000 ] - [ -0.0006956100000000, -0.0000403300000000, 0.0006334800000000 ] - [ 0.0008143600000000, 0.0000882100000000, 0.0007943600000000 ] - [ 0.0002071800000000, 0.0003005500000000, 0.0002219000000000 ] - [ 0.0006471500000000, 0.0003434200000000, 0.0001216800000000 ] - [ -0.0004571700000000, 0.0036846900000000, -0.0084200200000000 ] - [ 0.0024340600000000, -0.0008483600000000, 0.0005517800000000 ] - [ 0.0011580800000000, -0.0001968500000000, -0.0006354300000000 ] - [ -0.0014297700000000, -0.0091365300000000, 0.0039527000000000 ] - [ 0.0000742300000000, -0.0000166500000000, 0.0008089900000000 ] - [ -0.0014058400000000, 0.0001121500000000, 0.0009974600000000 ] - [ 0.0014411700000000, 0.0009090900000000, -0.0011724700000000 ] - [ -0.0013954700000000, -0.0035920000000000, 0.0077987500000000 ] - [ -0.0282136300000000, -0.0003961000000000, 0.0001814000000000 ] - [ 0.0025367700000000, -0.0007566300000000, 0.0003876900000000 ] - [ -0.0005310000000000, 0.0000067300000000, -0.0000383400000000 ] - [ 0.0002834400000000, -0.0000110600000000, -0.0000481900000000 ] - [ -0.0000177800000000, -0.0000735600000000, 0.0002149300000000 ] - [ -0.0000156300000000, 0.0000914800000000, -0.0003025900000000 ] - [ 0.0000012000000000, 0.0007928900000000, 0.0004014900000000 ] - [ 0.0000018200000000, 0.0007426500000000, 0.0003821600000000 ] - [ 0.0005481500000000, 0.0000007300000000, -0.0002266800000000 ] - [ 0.0004255000000000, -0.0000581900000000, -0.0003963600000000 ] - [ 0.0003801800000000, 0.0000602000000000, -0.0002063200000000 ] - [ 0.0002529500000000, 0.0001032500000000, -0.0002817700000000 ] - [ -0.0005780200000000, 0.0000128000000000, -0.0002016000000000 ] - [ -0.0004521600000000, -0.0000474500000000, -0.0003710800000000 ] - [ 0.0005280200000000, 0.0001351900000000, 0.0011679100000000 ] - [ -0.0002950900000000, 0.0002526800000000, 0.0009283400000000 ] - [ -0.0000108000000000, -0.0002074400000000, 0.0003068500000000 ] - [ -0.0000102100000000, -0.0004706600000000, -0.0000548400000000 ] - [ -0.0003886200000000, 0.0000552800000000, -0.0001936900000000 ] - [ -0.0002569100000000, 0.0001000500000000, -0.0002722700000000 ] - [ -0.0010344000000000, -0.0003207100000000, 0.0006789300000000 ] - [ -0.0001973600000000, -0.0001979100000000, 0.0004474800000000 ] - [ 0.0027725000000000, 0.0024651200000000, 0.0041818100000000 ] - [ 0.0027499800000000, -0.0008314300000000, -0.0028629000000000 ] - [ -0.0000127200000000, -0.0008361700000000, 0.0004251600000000 ] - [ -0.0000106100000000, -0.0007724300000000, 0.0008547300000000 ] - [ 0.0013690300000000, -0.0012742500000000, -0.0001036000000000 ] - [ 0.0013097400000000, 0.0045539600000000, 0.0003366100000000 ] - [ 0.0007241100000000, 0.0000991800000000, 0.0004670900000000 ] - [ -0.0000143800000000, -0.0000367300000000, 0.0011238000000000 ] - [ 0.0001256300000000, -0.0003778600000000, -0.0008356700000000 ] - [ 0.0001297600000000, 0.0010507400000000, 0.0010709900000000 ] - [ 0.0011572900000000, -0.0003370200000000, -0.0010816500000000 ] - [ 0.0000077800000000, 0.0002908700000000, 0.0003518700000000 ] - [ 0.0006662100000000, -0.0047589000000000, -0.0008188500000000 ] - [ 0.0007304200000000, 0.0010917500000000, -0.0003782500000000 ] - [ -0.0007527900000000, 0.0001045100000000, 0.0004821000000000 ] - [ -0.0000044200000000, -0.0000309900000000, 0.0011408000000000 ] - [ -0.0010055600000000, -0.0002542300000000, -0.0009623400000000 ] - [ 0.0001562800000000, 0.0003784600000000, 0.0004713400000000 ] - [ 0.0002607100000000, -0.0009230500000000, 0.0005382500000000 ] - [ 0.0002646200000000, -0.0006215500000000, 0.0002463900000000 ] - [ 0.0000043200000000, -0.0002434800000000, -0.0004132800000000 ] - [ 0.0000089400000000, 0.0002176800000000, 0.0003211000000000 ] - [ -0.0003218900000000, 0.0000123600000000, -0.0000486300000000 ] - [ 0.0003361800000000, 0.0000075400000000, -0.0000415000000000 ] - [ -0.0000410600000000, 0.0007690900000000, 0.0003929000000000 ] - [ 0.0000429200000000, 0.0007680200000000, 0.0003915500000000 ] - [ 0.0002738000000000, -0.0001142400000000, -0.0002258800000000 ] - [ 0.0007217300000000, 0.0000619800000000, -0.0003731800000000 ] - [ 0.0002202000000000, 0.0001179400000000, -0.0002823800000000 ] - [ 0.0004192100000000, 0.0000415700000000, -0.0001988300000000 ] - [ -0.0002805000000000, -0.0001084200000000, -0.0002229800000000 ] - [ -0.0007272700000000, 0.0000673700000000, -0.0003723000000000 ] - [ -0.0001049900000000, -0.0001621800000000, 0.0009023400000000 ] - [ 0.0007812800000000, -0.0000035800000000, 0.0005674600000000 ] - [ -0.0000761300000000, -0.0003412200000000, 0.0001246500000000 ] - [ 0.0000798100000000, -0.0003408400000000, 0.0001262600000000 ] - [ -0.0002221000000000, 0.0001167200000000, -0.0002780000000000 ] - [ -0.0004197700000000, 0.0000405300000000, -0.0001943800000000 ] - [ 0.0000516300000000, -0.0000664000000000, 0.0010468800000000 ] - [ -0.0008300200000000, 0.0000913600000000, 0.0007063900000000 ] - [ -0.0000325100000000, 0.0008176100000000, 0.0006378600000000 ] - [ 0.0004430000000000, 0.0008033300000000, 0.0006405000000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0001048900000000, -0.0000966400000000 ] - [ 0.0000000000000000, 0.0000033500000000, -0.0002145200000000 ] - [ 0.0000000000000000, 0.0002763300000000, 0.0019289600000000 ] - [ 0.0000000000000000, 0.0002200500000000, 0.0007422800000000 ] - [ 0.0000113500000000, -0.0000610600000000, 0.0010953500000000 ] - [ -0.0000113500000000, -0.0000610600000000, 0.0010953500000000 ] - [ 0.0000000000000000, 0.0001128600000000, 0.0009117800000000 ] - [ 0.0000000000000000, 0.0006933900000000, 0.0000669400000000 ] - [ 0.0000000000000000, -0.0073277500000000, -0.0016387300000000 ] - [ 0.0000000000000000, -0.0007981700000000, 0.0004517500000000 ] - [ -0.0010200200000000, 0.0002260700000000, 0.0003836400000000 ] - [ 0.0010200200000000, 0.0002260700000000, 0.0003836400000000 ] - [ 0.0000000000000000, 0.0094718600000000, 0.0047162700000000 ] - [ 0.0000000000000000, 0.0005368400000000, -0.0010118100000000 ] - [ -0.0022326900000000, -0.0001926400000000, -0.0033412700000000 ] - [ 0.0022326900000000, -0.0001926400000000, -0.0033412700000000 ] - [ -0.0035102500000000, -0.0014170900000000, 0.0010070900000000 ] - [ 0.0035102500000000, -0.0014170900000000, 0.0010070900000000 ] - [ -0.0006214600000000, -0.0005268300000000, -0.0001110300000000 ] - [ 0.0006214600000000, -0.0005268300000000, -0.0001110300000000 ] - [ 0.0002433500000000, -0.0003251900000000, 0.0000636400000000 ] - [ -0.0002433500000000, -0.0003251900000000, 0.0000636400000000 ] - [ -0.0000929000000000, 0.0002133300000000, 0.0005931100000000 ] - [ 0.0000929000000000, 0.0002133300000000, 0.0005931100000000 ] - [ 0.0000000000000000, -0.0004101000000000, 0.0012273500000000 ] - [ 0.0000000000000000, -0.0002703800000000, 0.0008628600000000 ] - [ 0.0003349000000000, 0.0014259900000000, 0.0005567800000000 ] - [ -0.0003349000000000, 0.0014259900000000, 0.0005567800000000 ] - [ 0.0049241800000000, 0.0049107700000000, -0.0022855800000000 ] - [ -0.0049241800000000, 0.0049107700000000, -0.0022855800000000 ] - [ 0.0000000000000000, -0.0034640300000000, 0.0007701000000000 ] - [ 0.0000000000000000, -0.0014753400000000, -0.0003597400000000 ] - [ 0.0014707500000000, -0.0010454300000000, -0.0000534500000000 ] - [ -0.0014707500000000, -0.0010454300000000, -0.0000534500000000 ] - [ 0.0000000000000000, -0.0009459200000000, -0.0002153500000000 ] - [ 0.0000000000000000, -0.0001077400000000, 0.0007055900000000 ] - [ 0.0000000000000000, -0.0023763400000000, -0.0099418600000000 ] - [ 0.0000000000000000, 0.0006328500000000, -0.0012171200000000 ] - [ 0.0000000000000000, 0.0005929100000000, -0.0001545900000000 ] - [ 0.0000000000000000, 0.0001927100000000, -0.0007245600000000 ] - [ 0.0000000000000000, 0.1304841000000000, -0.0818128000000000 ] - [ 0.0000000000000000, 0.0023510200000000, -0.0001714400000000 ] - [ 0.0000000000000000, 0.0091394300000000, 0.0072137600000000 ] - [ 0.0000000000000000, 0.0010601200000000, -0.0022792500000000 ] - [ -0.0000834600000000, -0.0004948000000000, 0.0014471800000000 ] - [ 0.0000834600000000, -0.0004948000000000, 0.0014471800000000 ] - [ 0.0001450000000000, -0.0010632400000000, -0.0017001400000000 ] - [ -0.0001450000000000, -0.0010632400000000, -0.0017001400000000 ] - [ 0.0048673000000000, -0.0056681000000000, -0.0040304400000000 ] - [ -0.0048673000000000, -0.0056681000000000, -0.0040304400000000 ] - [ -0.0004558900000000, -0.0007415900000000, -0.0038708700000000 ] - [ 0.0004558900000000, -0.0007415900000000, -0.0038708700000000 ] - [ 0.0000000000000000, -0.0003478100000000, 0.0022833800000000 ] - [ 0.0000000000000000, -0.0003862900000000, 0.0013932400000000 ] - [ 0.0000000000000000, 0.0009670900000000, 0.0014645400000000 ] - [ 0.0000000000000000, -0.0003056000000000, -0.0009612300000000 ] - [ 0.0000000000000000, -0.0005375200000000, -0.0003502600000000 ] - [ 0.0000000000000000, -0.0006281900000000, 0.0005457000000000 ] - [ 0.0155611900000000, 0.0156023700000000, 0.0051137500000000 ] - [ -0.0007046500000000, -0.0004501300000000, -0.0000854900000000 ] - [ 0.0025860100000000, -0.0000231400000000, -0.0017036200000000 ] - [ -0.0002222300000000, -0.0000670300000000, 0.0007477800000000 ] - [ 0.0000000000000000, 0.0081499000000000, -0.0181190800000000 ] - [ 0.0000000000000000, 0.0001836200000000, 0.0002952400000000 ] - [ 0.0065227900000000, -0.0084772300000000, -0.0052309800000000 ] - [ 0.0004648300000000, -0.0007277700000000, 0.0005802600000000 ] - [ 0.0007046500000000, -0.0004501300000000, -0.0000854900000000 ] - [ -0.0155611900000000, 0.0156023700000000, 0.0051137500000000 ] - [ 0.0002222300000000, -0.0000670300000000, 0.0007477800000000 ] - [ -0.0025860100000000, -0.0000231400000000, -0.0017036200000000 ] - [ -0.0004648300000000, -0.0007277700000000, 0.0005802600000000 ] - [ -0.0065227900000000, -0.0084772300000000, -0.0052309800000000 ] - [ 0.0000000000000000, -0.1803969700000000, 0.1038553900000000 ] - [ 0.0000000000000000, -0.0021819400000000, 0.0011867300000000 ] - [ 0.0000000000000000, -0.0045186800000000, -0.0013462600000000 ] - [ 0.0000000000000000, -0.0004364700000000, 0.0000327900000000 ] - [ -0.0001345500000000, 0.0007982200000000, -0.0005449500000000 ] - [ 0.0001345500000000, 0.0007982200000000, -0.0005449500000000 ] - [ 0.0000260600000000, 0.0007437200000000, -0.0000046400000000 ] - [ -0.0000260600000000, 0.0007437200000000, -0.0000046400000000 ] - [ 0.0005250500000000, 0.0000842100000000, -0.0005718700000000 ] - [ 0.0006549800000000, 0.0001424200000000, -0.0006785100000000 ] - [ 0.0002600800000000, 0.0001355400000000, -0.0005194200000000 ] - [ 0.0000191300000000, 0.0002176500000000, -0.0008199900000000 ] - [ -0.0006549800000000, 0.0001424200000000, -0.0006785100000000 ] - [ -0.0005250500000000, 0.0000842100000000, -0.0005718700000000 ] - [ 0.0004442600000000, -0.0002115700000000, 0.0013261400000000 ] - [ 0.0002435800000000, 0.0003516200000000, 0.0011330200000000 ] - [ -0.0000246500000000, -0.0004780400000000, -0.0001633100000000 ] - [ 0.0000246500000000, -0.0004780400000000, -0.0001633100000000 ] - [ -0.0000191300000000, 0.0002176500000000, -0.0008199900000000 ] - [ -0.0002600800000000, 0.0001355400000000, -0.0005194200000000 ] - [ -0.0002435800000000, 0.0003516200000000, 0.0011330200000000 ] - [ -0.0004442600000000, -0.0002115700000000, 0.0013261400000000 ] - [ -0.0011593700000000, -0.0018303000000000, 0.0000857200000000 ] - [ 0.0011593700000000, -0.0018303000000000, 0.0000857200000000 ] - [ 0.0001381000000000, -0.0011319700000000, -0.0000362900000000 ] - [ -0.0001381000000000, -0.0011319700000000, -0.0000362900000000 ] - [ -0.0007204500000000, 0.0001398400000000, -0.0000724400000000 ] - [ 0.0083775900000000, 0.0092851900000000, 0.0038142900000000 ] - [ 0.0003047100000000, 0.0000258300000000, 0.0011880300000000 ] - [ -0.0000649500000000, 0.0002699700000000, 0.0014793800000000 ] - [ -0.0004222200000000, 0.0003916400000000, 0.0017852600000000 ] - [ 0.0004222200000000, 0.0003916400000000, 0.0017852600000000 ] - [ -0.0003059200000000, 0.0009665800000000, 0.0016176200000000 ] - [ -0.0001081200000000, 0.0019495400000000, 0.0010642900000000 ] - [ -0.0083775900000000, 0.0092851900000000, 0.0038142900000000 ] - [ 0.0007204500000000, 0.0001398400000000, -0.0000724400000000 ] - [ 0.0000649500000000, 0.0002699700000000, 0.0014793800000000 ] - [ -0.0003047100000000, 0.0000258300000000, 0.0011880300000000 ] - [ 0.0001081200000000, 0.0019495400000000, 0.0010642900000000 ] - [ 0.0003059200000000, 0.0009665800000000, 0.0016176200000000 ] - [ 0.0001532200000000, 0.0022414900000000, -0.0000935800000000 ] - [ -0.0001532200000000, 0.0022414900000000, -0.0000935800000000 ] - [ 0.0003362700000000, 0.0014842100000000, 0.0001499300000000 ] - [ -0.0003362700000000, 0.0014842100000000, 0.0001499300000000 ] - [ 0.0000000000000000, -0.0021207500000000, 0.0004672800000000 ] - [ 0.0000000000000000, -0.0001767000000000, -0.0001303100000000 ] - [ 0.0000000000000000, 0.0002922600000000, -0.0003449700000000 ] - [ 0.0000000000000000, 0.0005605400000000, 0.0000705600000000 ] - [ 0.0003936100000000, -0.0002245300000000, -0.0012786600000000 ] - [ 0.0005476800000000, -0.0000511900000000, -0.0007223200000000 ] - [ 0.0001585200000000, 0.0002657500000000, -0.0007506100000000 ] - [ 0.0002290200000000, 0.0001623800000000, -0.0005391200000000 ] - [ -0.0005476800000000, -0.0000511900000000, -0.0007223200000000 ] - [ -0.0003936100000000, -0.0002245300000000, -0.0012786600000000 ] - [ 0.0000915700000000, -0.0002671600000000, -0.0020160200000000 ] - [ 0.0007688900000000, -0.0001492000000000, 0.0004087400000000 ] - [ 0.0000000000000000, -0.0000789500000000, -0.0007825400000000 ] - [ 0.0000000000000000, -0.0002224900000000, -0.0001983100000000 ] - [ -0.0002290200000000, 0.0001623800000000, -0.0005391200000000 ] - [ -0.0001585200000000, 0.0002657500000000, -0.0007506100000000 ] - [ -0.0007688900000000, -0.0001492000000000, 0.0004087400000000 ] - [ -0.0000915700000000, -0.0002671600000000, -0.0020160200000000 ] - [ 0.0000000000000000, 0.0093605500000000, 0.0014351400000000 ] - [ 0.0000000000000000, 0.0013092500000000, 0.0006108800000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0003982800000000, -0.0007093500000000 ] - [ 0.0000000000000000, -0.0002974700000000, -0.0005971000000000 ] - [ 0.0000000000000000, 0.0000481900000000, -0.0013303300000000 ] - [ 0.0000000000000000, 0.0001041500000000, -0.0001431200000000 ] - [ -0.0000103600000000, -0.0002398800000000, 0.0000889200000000 ] - [ 0.0000103600000000, -0.0002398800000000, 0.0000889200000000 ] - [ 0.0000000000000000, 0.0018303100000000, -0.0010649300000000 ] - [ 0.0000000000000000, 0.0012430800000000, -0.0002182100000000 ] - [ 0.0000000000000000, 0.0076103800000000, 0.0028197600000000 ] - [ 0.0000000000000000, 0.0011019000000000, 0.0007296400000000 ] - [ 0.0010215400000000, -0.0021682500000000, -0.0005377900000000 ] - [ -0.0010215400000000, -0.0021682500000000, -0.0005377900000000 ] - [ 0.0000000000000000, -0.0093435300000000, -0.0062066000000000 ] - [ 0.0000000000000000, -0.0005080200000000, -0.0007800400000000 ] - [ 0.0022281700000000, -0.0001081000000000, 0.0039170200000000 ] - [ -0.0022281700000000, -0.0001081000000000, 0.0039170200000000 ] - [ 0.0035003300000000, 0.0017211100000000, -0.0018123400000000 ] - [ -0.0035003300000000, 0.0017211100000000, -0.0018123400000000 ] - [ 0.0006217900000000, 0.0005044700000000, -0.0016827900000000 ] - [ -0.0006217900000000, 0.0005044700000000, -0.0016827900000000 ] - [ -0.0002450500000000, 0.0000333800000000, -0.0008773800000000 ] - [ 0.0002450500000000, 0.0000333800000000, -0.0008773800000000 ] - [ 0.0000930500000000, 0.0001101900000000, 0.0000082100000000 ] - [ -0.0000930500000000, 0.0001101900000000, 0.0000082100000000 ] - [ 0.0000000000000000, 0.0001107700000000, -0.0000405500000000 ] - [ 0.0000000000000000, -0.0000285300000000, 0.0003212600000000 ] - [ -0.0003356900000000, 0.0004990300000000, -0.0006952300000000 ] - [ 0.0003356900000000, 0.0004990300000000, -0.0006952300000000 ] - [ -0.0048469400000000, -0.0046555100000000, 0.0034528500000000 ] - [ 0.0048469400000000, -0.0046555100000000, 0.0034528500000000 ] - [ 0.0000000000000000, 0.0015316200000000, -0.0009101600000000 ] - [ 0.0000000000000000, -0.0004567100000000, 0.0002126200000000 ] - [ -0.0014824000000000, 0.0010734800000000, -0.0017530300000000 ] - [ 0.0014824000000000, 0.0010734800000000, -0.0017530300000000 ] - [ 0.0000000000000000, 0.0002285300000000, 0.0011231900000000 ] - [ 0.0000000000000000, -0.0002258700000000, -0.0001109400000000 ] - [ 0.0000000000000000, 0.0026196300000000, 0.0091343300000000 ] - [ 0.0000000000000000, -0.0003507600000000, 0.0004031900000000 ] - [ 0.0000000000000000, -0.0006202300000000, -0.0016370300000000 ] - [ 0.0000000000000000, -0.0002210400000000, -0.0010677300000000 ] - [ 0.0000000000000000, -0.1247584000000000, 0.0779484600000000 ] - [ 0.0000000000000000, -0.0016814900000000, 0.0014672800000000 ] - [ 0.0000000000000000, -0.0081457800000000, -0.0108520000000000 ] - [ 0.0000000000000000, -0.0001235300000000, -0.0013372600000000 ] - [ 0.0000831900000000, -0.0001583400000000, -0.0001420700000000 ] - [ -0.0000831900000000, -0.0001583400000000, -0.0001420700000000 ] - [ -0.0001331200000000, 0.0001391500000000, -0.0018988300000000 ] - [ 0.0001331200000000, 0.0001391500000000, -0.0018988300000000 ] - [ -0.0049076800000000, 0.0063298100000000, 0.0053425700000000 ] - [ 0.0049076800000000, 0.0063298100000000, 0.0053425700000000 ] - [ 0.0004488900000000, 0.0016720900000000, 0.0002724600000000 ] - [ -0.0004488900000000, 0.0016720900000000, 0.0002724600000000 ] - [ 0.0000000000000000, -0.0003061400000000, -0.0009855400000000 ] - [ 0.0000000000000000, -0.0002671500000000, -0.0000925500000000 ] - [ 0.0000000000000000, -0.0019281700000000, -0.0050882800000000 ] - [ 0.0000000000000000, -0.0006336800000000, -0.0026442100000000 ] - [ 0.0000000000000000, -0.0010696500000000, 0.0016223400000000 ] - [ 0.0000000000000000, -0.0009767400000000, 0.0007284900000000 ] - [ -0.0147241200000000, -0.0156107600000000, -0.0055276900000000 ] - [ 0.0013374000000000, 0.0002802900000000, -0.0003948000000000 ] - [ -0.0018622200000000, 0.0000804200000000, 0.0033272700000000 ] - [ 0.0009473900000000, 0.0001320600000000, 0.0008657200000000 ] - [ 0.0000000000000000, -0.0073660500000000, 0.0181976800000000 ] - [ 0.0000000000000000, 0.0004832500000000, -0.0000437900000000 ] - [ -0.0055114600000000, 0.0084139000000000, 0.0047012200000000 ] - [ 0.0005349000000000, 0.0007720600000000, -0.0011726300000000 ] - [ -0.0013374000000000, 0.0002802900000000, -0.0003948000000000 ] - [ 0.0147241200000000, -0.0156107600000000, -0.0055276900000000 ] - [ -0.0009473900000000, 0.0001320600000000, 0.0008657200000000 ] - [ 0.0018622200000000, 0.0000804200000000, 0.0033272700000000 ] - [ -0.0005349000000000, 0.0007720600000000, -0.0011726300000000 ] - [ 0.0055114600000000, 0.0084139000000000, 0.0047012200000000 ] - [ 0.0000000000000000, 0.1741438400000000, -0.0984853300000000 ] - [ 0.0000000000000000, 0.0006439000000000, -0.0004023900000000 ] - [ 0.0000000000000000, 0.0045069200000000, 0.0012602100000000 ] - [ 0.0000000000000000, 0.0004212900000000, -0.0001202800000000 ] - [ 0.0001338200000000, -0.0007908900000000, 0.0004614700000000 ] - [ -0.0001338200000000, -0.0007908900000000, 0.0004614700000000 ] - [ -0.0000258300000000, 0.0007865800000000, 0.0007826200000000 ] - [ 0.0000258300000000, 0.0007865800000000, 0.0007826200000000 ] - [ 0.0004695600000000, -0.0001356300000000, -0.0000320000000000 ] - [ 0.0003404000000000, -0.0001937100000000, 0.0000753100000000 ] - [ 0.0003767800000000, 0.0000248400000000, 0.0000378600000000 ] - [ 0.0006179300000000, -0.0000574000000000, 0.0003386900000000 ] - [ -0.0003404000000000, -0.0001937100000000, 0.0000753100000000 ] - [ -0.0004695600000000, -0.0001356300000000, -0.0000320000000000 ] - [ 0.0002820100000000, 0.0001407600000000, 0.0002886100000000 ] - [ 0.0005067300000000, -0.0004387100000000, 0.0004609900000000 ] - [ 0.0000243900000000, -0.0001968700000000, 0.0004090500000000 ] - [ -0.0000243900000000, -0.0001968700000000, 0.0004090500000000 ] - [ -0.0006179300000000, -0.0000574000000000, 0.0003386900000000 ] - [ -0.0003767800000000, 0.0000248400000000, 0.0000378600000000 ] - [ -0.0005067300000000, -0.0004387100000000, 0.0004609900000000 ] - [ -0.0002820100000000, 0.0001407600000000, 0.0002886100000000 ] - [ 0.0011273600000000, 0.0034262100000000, 0.0011685900000000 ] - [ -0.0011273600000000, 0.0034262100000000, 0.0011685900000000 ] - [ -0.0001378900000000, -0.0004706700000000, 0.0013125900000000 ] - [ 0.0001378900000000, -0.0004706700000000, 0.0013125900000000 ] - [ 0.0013711000000000, -0.0002805100000000, -0.0004002400000000 ] - [ -0.0078096900000000, -0.0095067100000000, -0.0043160100000000 ] - [ 0.0004249900000000, 0.0000427400000000, 0.0004205100000000 ] - [ 0.0007876000000000, -0.0002024500000000, 0.0001292700000000 ] - [ 0.0004263700000000, 0.0002904600000000, -0.0015400700000000 ] - [ -0.0004263700000000, 0.0002904600000000, -0.0015400700000000 ] - [ 0.0013115300000000, -0.0009216700000000, -0.0022282900000000 ] - [ 0.0010993700000000, -0.0019004400000000, -0.0016712000000000 ] - [ 0.0078096900000000, -0.0095067100000000, -0.0043160100000000 ] - [ -0.0013711000000000, -0.0002805100000000, -0.0004002400000000 ] - [ -0.0007876000000000, -0.0002024500000000, 0.0001292700000000 ] - [ -0.0004249900000000, 0.0000427400000000, 0.0004205100000000 ] - [ -0.0010993700000000, -0.0019004400000000, -0.0016712000000000 ] - [ -0.0013115300000000, -0.0009216700000000, -0.0022282900000000 ] - [ -0.0001467600000000, -0.0037799100000000, 0.0008804500000000 ] - [ 0.0001467600000000, -0.0037799100000000, 0.0008804500000000 ] - [ -0.0003349200000000, -0.0015014300000000, -0.0002420700000000 ] - [ 0.0003349200000000, -0.0015014300000000, -0.0002420700000000 ] - [ 0.0000000000000000, 0.0021689800000000, -0.0005776300000000 ] - [ 0.0000000000000000, 0.0001955900000000, 0.0000392800000000 ] - [ 0.0000000000000000, 0.0012427600000000, 0.0011264000000000 ] - [ 0.0000000000000000, 0.0009708000000000, 0.0007079200000000 ] - [ 0.0006068900000000, 0.0001794300000000, 0.0006788100000000 ] - [ 0.0004495000000000, 0.0000031500000000, 0.0001195400000000 ] - [ 0.0004820900000000, -0.0001072700000000, 0.0002718700000000 ] - [ 0.0004088300000000, -0.0000021500000000, 0.0000587100000000 ] - [ -0.0004495000000000, 0.0000031500000000, 0.0001195400000000 ] - [ -0.0006068900000000, 0.0001794300000000, 0.0006788100000000 ] - [ 0.0006393900000000, 0.0002065500000000, 0.0036530700000000 ] - [ -0.0000451900000000, 0.0000855100000000, 0.0012063100000000 ] - [ 0.0000000000000000, -0.0005975000000000, 0.0010308800000000 ] - [ 0.0000000000000000, -0.0004506200000000, 0.0004448000000000 ] - [ -0.0004088300000000, -0.0000021500000000, 0.0000587100000000 ] - [ -0.0004820900000000, -0.0001072700000000, 0.0002718700000000 ] - [ 0.0000451900000000, 0.0000855100000000, 0.0012063100000000 ] - [ -0.0006393900000000, 0.0002065500000000, 0.0036530700000000 ] - [ 0.0000000000000000, -0.0077863600000000, -0.0001535300000000 ] - [ 0.0000000000000000, 0.0002949900000000, 0.0006689800000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0005592900000000, -0.0022065700000000 ] - [ 0.0000000000000000, -0.0001348000000000, -0.0010242400000000 ] - [ 0.0000000000000000, 0.0001153600000000, -0.0025556500000000 ] - [ 0.0000000000000000, 0.0000665900000000, -0.0009963000000000 ] - [ -0.0000810900000000, -0.0000578300000000, -0.0006438300000000 ] - [ 0.0000810900000000, -0.0000578300000000, -0.0006438300000000 ] - [ 0.0000000000000000, 0.0007137000000000, -0.0012982500000000 ] - [ 0.0000000000000000, 0.0007947500000000, 0.0000005700000000 ] - [ 0.0000000000000000, 0.0035258600000000, 0.0039103000000000 ] - [ 0.0000000000000000, 0.0005352100000000, 0.0016010400000000 ] - [ 0.0018548500000000, -0.0022595300000000, -0.0017705100000000 ] - [ -0.0018548500000000, -0.0022595300000000, -0.0017705100000000 ] - [ 0.0000000000000000, 0.0019833100000000, 0.0042643200000000 ] - [ 0.0000000000000000, -0.0002900800000000, -0.0001126100000000 ] - [ -0.0001314100000000, -0.0017456400000000, 0.0045217300000000 ] - [ 0.0001314100000000, -0.0017456400000000, 0.0045217300000000 ] - [ 0.0030720300000000, 0.0020284200000000, -0.0004991200000000 ] - [ -0.0030720300000000, 0.0020284200000000, -0.0004991200000000 ] - [ 0.0007389300000000, 0.0005884300000000, -0.0026564200000000 ] - [ -0.0007389300000000, 0.0005884300000000, -0.0026564200000000 ] - [ -0.0003963800000000, -0.0001405500000000, -0.0012122700000000 ] - [ 0.0003963800000000, -0.0001405500000000, -0.0012122700000000 ] - [ 0.0001048300000000, -0.0000402700000000, -0.0010297700000000 ] - [ -0.0001048300000000, -0.0000402700000000, -0.0010297700000000 ] - [ 0.0000000000000000, 0.0001068600000000, -0.0007925600000000 ] - [ 0.0000000000000000, -0.0000974400000000, -0.0003173500000000 ] - [ -0.0011536900000000, 0.0013082400000000, -0.0015004900000000 ] - [ 0.0011536900000000, 0.0013082400000000, -0.0015004900000000 ] - [ -0.0008242900000000, -0.0010913000000000, 0.0076421100000000 ] - [ 0.0008242900000000, -0.0010913000000000, 0.0076421100000000 ] - [ 0.0000000000000000, 0.0007255200000000, -0.0011335000000000 ] - [ 0.0000000000000000, -0.0007984100000000, -0.0002934400000000 ] - [ -0.0013540800000000, 0.0006209800000000, 0.0000165100000000 ] - [ 0.0013540800000000, 0.0006209800000000, 0.0000165100000000 ] - [ 0.0000000000000000, 0.0008381500000000, 0.0066405600000000 ] - [ 0.0000000000000000, 0.0000489500000000, 0.0014900600000000 ] - [ 0.0000000000000000, -0.0051703000000000, -0.0000878000000000 ] - [ 0.0000000000000000, -0.0000606600000000, 0.0002499800000000 ] - [ 0.0000000000000000, -0.0006424200000000, -0.0030472400000000 ] - [ 0.0000000000000000, -0.0000821800000000, -0.0019148200000000 ] - [ 0.0000000000000000, -0.0774466100000000, 0.0875204800000000 ] - [ 0.0000000000000000, -0.0000117600000000, 0.0031035200000000 ] - [ 0.0000000000000000, -0.0002737200000000, -0.0148362800000000 ] - [ 0.0000000000000000, 0.0003062900000000, -0.0015688900000000 ] - [ 0.0000304000000000, -0.0000546800000000, -0.0019097800000000 ] - [ -0.0000304000000000, -0.0000546800000000, -0.0019097800000000 ] - [ -0.0025486000000000, -0.0014282700000000, -0.0045136000000000 ] - [ 0.0025486000000000, -0.0014282700000000, -0.0045136000000000 ] - [ -0.0006633200000000, 0.0020594700000000, 0.0041707800000000 ] - [ 0.0006633200000000, 0.0020594700000000, 0.0041707800000000 ] - [ 0.0009601700000000, 0.0005227700000000, -0.0013342500000000 ] - [ -0.0009601700000000, 0.0005227700000000, -0.0013342500000000 ] - [ 0.0000000000000000, -0.0000846200000000, -0.0026935500000000 ] - [ 0.0000000000000000, -0.0000995600000000, -0.0010846900000000 ] - [ 0.0000000000000000, 0.0021240400000000, -0.0062465800000000 ] - [ 0.0000000000000000, -0.0001602300000000, -0.0028915800000000 ] - [ 0.0000000000000000, -0.0012043400000000, 0.0023114900000000 ] - [ 0.0000000000000000, -0.0008968800000000, 0.0015081200000000 ] - [ -0.0102079800000000, -0.0056151100000000, -0.0130090100000000 ] - [ 0.0004940600000000, -0.0001350300000000, -0.0015716500000000 ] - [ -0.0023082800000000, -0.0010418500000000, 0.0047976500000000 ] - [ 0.0009857400000000, -0.0000455600000000, 0.0011422200000000 ] - [ 0.0000000000000000, -0.0056607000000000, 0.0108082000000000 ] - [ 0.0000000000000000, 0.0004261400000000, -0.0003056600000000 ] - [ -0.0091679100000000, -0.0012120400000000, 0.0128026100000000 ] - [ 0.0011764000000000, 0.0002148700000000, -0.0013097400000000 ] - [ -0.0004940600000000, -0.0001350300000000, -0.0015716500000000 ] - [ 0.0102079800000000, -0.0056151100000000, -0.0130090100000000 ] - [ -0.0009857400000000, -0.0000455600000000, 0.0011422200000000 ] - [ 0.0023082800000000, -0.0010418500000000, 0.0047976500000000 ] - [ -0.0011764000000000, 0.0002148700000000, -0.0013097400000000 ] - [ 0.0091679100000000, -0.0012120400000000, 0.0128026100000000 ] - [ 0.0000000000000000, 0.0984921300000000, -0.1191901200000000 ] - [ 0.0000000000000000, 0.0000284100000000, -0.0011833400000000 ] - [ 0.0000000000000000, 0.0030317600000000, 0.0030473300000000 ] - [ 0.0000000000000000, 0.0002407100000000, 0.0001239900000000 ] - [ 0.0003987000000000, 0.0004336400000000, 0.0000653000000000 ] - [ -0.0003987000000000, 0.0004336400000000, 0.0000653000000000 ] - [ -0.0000100700000000, 0.0011612000000000, 0.0015666500000000 ] - [ 0.0000100700000000, 0.0011612000000000, 0.0015666500000000 ] - [ 0.0008050400000000, 0.0001355200000000, 0.0010734000000000 ] - [ 0.0002591300000000, -0.0000169300000000, 0.0010135700000000 ] - [ 0.0006523300000000, -0.0002056500000000, 0.0006980600000000 ] - [ 0.0008305000000000, -0.0002558200000000, 0.0011271400000000 ] - [ -0.0002591300000000, -0.0000169300000000, 0.0010135700000000 ] - [ -0.0008050400000000, 0.0001355200000000, 0.0010734000000000 ] - [ 0.0008412300000000, 0.0002139400000000, 0.0003254500000000 ] - [ -0.0044474500000000, 0.0030079400000000, 0.0041837400000000 ] - [ 0.0002319700000000, -0.0004117000000000, 0.0013098100000000 ] - [ -0.0002319700000000, -0.0004117000000000, 0.0013098100000000 ] - [ -0.0008305000000000, -0.0002558200000000, 0.0011271400000000 ] - [ -0.0006523300000000, -0.0002056500000000, 0.0006980600000000 ] - [ 0.0044474500000000, 0.0030079400000000, 0.0041837400000000 ] - [ -0.0008412300000000, 0.0002139400000000, 0.0003254500000000 ] - [ 0.0049340800000000, 0.0022354800000000, 0.0000230700000000 ] - [ -0.0049340800000000, 0.0022354800000000, 0.0000230700000000 ] - [ -0.0001885800000000, -0.0004466400000000, 0.0022462600000000 ] - [ 0.0001885800000000, -0.0004466400000000, 0.0022462600000000 ] - [ 0.0001262100000000, -0.0003766300000000, -0.0012354600000000 ] - [ -0.0016207200000000, -0.0014763500000000, -0.0045645300000000 ] - [ 0.0000362600000000, -0.0000306300000000, 0.0011574400000000 ] - [ 0.0010274200000000, 0.0001330600000000, 0.0010152000000000 ] - [ -0.0005517600000000, 0.0011102600000000, -0.0007452500000000 ] - [ 0.0005517600000000, 0.0011102600000000, -0.0007452500000000 ] - [ 0.0004021600000000, -0.0002523100000000, -0.0013641000000000 ] - [ 0.0013936300000000, -0.0005263900000000, -0.0014354200000000 ] - [ 0.0016207200000000, -0.0014763500000000, -0.0045645300000000 ] - [ -0.0001262100000000, -0.0003766300000000, -0.0012354600000000 ] - [ -0.0010274200000000, 0.0001330600000000, 0.0010152000000000 ] - [ -0.0000362600000000, -0.0000306300000000, 0.0011574400000000 ] - [ -0.0013936300000000, -0.0005263900000000, -0.0014354200000000 ] - [ -0.0004021600000000, -0.0002523100000000, -0.0013641000000000 ] - [ -0.0001472800000000, -0.0012515700000000, -0.0007885400000000 ] - [ 0.0001472800000000, -0.0012515700000000, -0.0007885400000000 ] - [ -0.0003708600000000, -0.0006550800000000, 0.0002132800000000 ] - [ 0.0003708600000000, -0.0006550800000000, 0.0002132800000000 ] - [ 0.0000000000000000, -0.0032726100000000, 0.0043664900000000 ] - [ 0.0000000000000000, -0.0002463700000000, 0.0002486400000000 ] - [ 0.0000000000000000, 0.0015027900000000, 0.0019142900000000 ] - [ 0.0000000000000000, 0.0010834300000000, 0.0012347400000000 ] - [ 0.0006980100000000, -0.0001705800000000, 0.0015058800000000 ] - [ 0.0002835400000000, -0.0001436100000000, 0.0005224800000000 ] - [ 0.0007562300000000, -0.0003090700000000, 0.0009797200000000 ] - [ 0.0005783200000000, -0.0000886700000000, 0.0005711000000000 ] - [ -0.0002835400000000, -0.0001436100000000, 0.0005224800000000 ] - [ -0.0006980100000000, -0.0001705800000000, 0.0015058800000000 ] - [ 0.0009813300000000, -0.0004725800000000, 0.0022512500000000 ] - [ -0.0001343300000000, -0.0001403000000000, 0.0009355900000000 ] - [ 0.0000000000000000, -0.0008887400000000, 0.0019967800000000 ] - [ 0.0000000000000000, -0.0004009600000000, 0.0007404700000000 ] - [ -0.0005783200000000, -0.0000886700000000, 0.0005711000000000 ] - [ -0.0007562300000000, -0.0003090700000000, 0.0009797200000000 ] - [ 0.0001343300000000, -0.0001403000000000, 0.0009355900000000 ] - [ -0.0009813300000000, -0.0004725800000000, 0.0022512500000000 ] - [ 0.0000000000000000, -0.0061595800000000, -0.0006169700000000 ] - [ 0.0000000000000000, 0.0006002000000000, -0.0002519300000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0002615800000000, 0.0013787000000000 ] - [ 0.0000000000000000, -0.0001592100000000, 0.0002066700000000 ] - [ 0.0000000000000000, 0.0002032400000000, 0.0031419700000000 ] - [ 0.0000000000000000, 0.0002538100000000, 0.0015855900000000 ] - [ 0.0000809600000000, -0.0002388100000000, 0.0018219400000000 ] - [ -0.0000809600000000, -0.0002388100000000, 0.0018219400000000 ] - [ 0.0000000000000000, 0.0012088600000000, 0.0011478600000000 ] - [ 0.0000000000000000, 0.0011344000000000, -0.0001476100000000 ] - [ 0.0000000000000000, -0.0032142900000000, -0.0027083000000000 ] - [ 0.0000000000000000, -0.0002370000000000, -0.0004116000000000 ] - [ -0.0018567200000000, 0.0003271400000000, 0.0016168700000000 ] - [ 0.0018567200000000, 0.0003271400000000, 0.0016168700000000 ] - [ 0.0000000000000000, -0.0015942900000000, -0.0055240100000000 ] - [ 0.0000000000000000, 0.0003170900000000, -0.0016704200000000 ] - [ 0.0001251400000000, 0.0014183600000000, -0.0038912700000000 ] - [ -0.0001251400000000, 0.0014183600000000, -0.0038912700000000 ] - [ -0.0030642400000000, -0.0017339100000000, -0.0003225000000000 ] - [ 0.0030642400000000, -0.0017339100000000, -0.0003225000000000 ] - [ -0.0007370800000000, -0.0006124600000000, 0.0008525700000000 ] - [ 0.0007370800000000, -0.0006124600000000, 0.0008525700000000 ] - [ 0.0003933200000000, -0.0001555800000000, 0.0003940300000000 ] - [ -0.0003933200000000, -0.0001555800000000, 0.0003940300000000 ] - [ -0.0001045600000000, 0.0003596900000000, 0.0016191700000000 ] - [ 0.0001045600000000, 0.0003596900000000, 0.0016191700000000 ] - [ 0.0000000000000000, -0.0004030900000000, 0.0019695900000000 ] - [ 0.0000000000000000, -0.0001999500000000, 0.0014957100000000 ] - [ 0.0011413000000000, 0.0006278200000000, 0.0013455100000000 ] - [ -0.0011413000000000, 0.0006278200000000, 0.0013455100000000 ] - [ 0.0008941000000000, 0.0013831700000000, -0.0064350200000000 ] - [ -0.0008941000000000, 0.0013831700000000, -0.0064350200000000 ] - [ 0.0000000000000000, -0.0026499100000000, 0.0009745100000000 ] - [ 0.0000000000000000, -0.0011336400000000, 0.0001378900000000 ] - [ 0.0013489000000000, -0.0005942200000000, -0.0017973200000000 ] - [ -0.0013489000000000, -0.0005942200000000, -0.0017973200000000 ] - [ 0.0000000000000000, -0.0013717500000000, -0.0059325600000000 ] - [ 0.0000000000000000, -0.0003700600000000, -0.0008785700000000 ] - [ 0.0000000000000000, 0.0054287400000000, -0.0007821100000000 ] - [ 0.0000000000000000, 0.0003520200000000, -0.0010671000000000 ] - [ 0.0000000000000000, 0.0006179100000000, 0.0012436000000000 ] - [ 0.0000000000000000, 0.0000564300000000, 0.0001144800000000 ] - [ 0.0000000000000000, 0.0819429000000000, -0.0880314800000000 ] - [ 0.0000000000000000, 0.0006724400000000, -0.0017902200000000 ] - [ 0.0000000000000000, 0.0011338100000000, 0.0112139800000000 ] - [ 0.0000000000000000, 0.0006283700000000, -0.0020568000000000 ] - [ -0.0000312800000000, -0.0005944000000000, 0.0032018000000000 ] - [ 0.0000312800000000, -0.0005944000000000, 0.0032018000000000 ] - [ 0.0025231800000000, 0.0004806000000000, 0.0008796800000000 ] - [ -0.0025231800000000, 0.0004806000000000, 0.0008796800000000 ] - [ 0.0006737100000000, -0.0014178300000000, -0.0028679900000000 ] - [ -0.0006737100000000, -0.0014178300000000, -0.0028679900000000 ] - [ -0.0009563800000000, 0.0004134600000000, -0.0022887200000000 ] - [ 0.0009563800000000, 0.0004134600000000, -0.0022887200000000 ] - [ 0.0000000000000000, -0.0005621900000000, 0.0039824200000000 ] - [ 0.0000000000000000, -0.0005480600000000, 0.0023831100000000 ] - [ 0.0000000000000000, -0.0030297900000000, 0.0026092600000000 ] - [ 0.0000000000000000, -0.0007728600000000, -0.0007229300000000 ] - [ 0.0000000000000000, -0.0004001500000000, -0.0010227800000000 ] - [ 0.0000000000000000, -0.0007076400000000, -0.0002232900000000 ] - [ 0.0108718800000000, 0.0053598200000000, 0.0126031000000000 ] - [ 0.0001380200000000, -0.0000317400000000, 0.0010837500000000 ] - [ 0.0030248600000000, 0.0011132500000000, -0.0031787700000000 ] - [ -0.0002597800000000, 0.0001112500000000, 0.0004750600000000 ] - [ 0.0000000000000000, 0.0063030200000000, -0.0105094800000000 ] - [ 0.0000000000000000, 0.0002479200000000, 0.0005570200000000 ] - [ 0.0102638800000000, 0.0012872700000000, -0.0135166700000000 ] - [ -0.0001752200000000, -0.0001701700000000, 0.0007176800000000 ] - [ -0.0001380200000000, -0.0000317400000000, 0.0010837500000000 ] - [ -0.0108718800000000, 0.0053598200000000, 0.0126031000000000 ] - [ 0.0002597800000000, 0.0001112500000000, 0.0004750600000000 ] - [ -0.0030248600000000, 0.0011132500000000, -0.0031787700000000 ] - [ 0.0001752200000000, -0.0001701700000000, 0.0007176800000000 ] - [ -0.0102638800000000, 0.0012872700000000, -0.0135166700000000 ] - [ 0.0000000000000000, -0.1038129200000000, 0.1211023100000000 ] - [ 0.0000000000000000, -0.0015619200000000, 0.0019545200000000 ] - [ 0.0000000000000000, -0.0030322000000000, -0.0031319900000000 ] - [ 0.0000000000000000, -0.0002542900000000, -0.0002092600000000 ] - [ -0.0003964200000000, -0.0004118500000000, -0.0001567700000000 ] - [ 0.0003964200000000, -0.0004118500000000, -0.0001567700000000 ] - [ 0.0000102600000000, 0.0003750700000000, -0.0007777800000000 ] - [ -0.0000102600000000, 0.0003750700000000, -0.0007777800000000 ] - [ 0.0001965300000000, -0.0001805000000000, -0.0016647500000000 ] - [ 0.0007377400000000, -0.0000287000000000, -0.0016069700000000 ] - [ -0.0000132100000000, 0.0003643700000000, -0.0011697700000000 ] - [ -0.0001927100000000, 0.0004153200000000, -0.0015977100000000 ] - [ -0.0007377400000000, -0.0000287000000000, -0.0016069700000000 ] - [ -0.0001965300000000, -0.0001805000000000, -0.0016647500000000 ] - [ -0.0001086000000000, -0.0002801500000000, 0.0012821500000000 ] - [ 0.0051191700000000, -0.0030396000000000, -0.0025332100000000 ] - [ -0.0002293400000000, -0.0002653400000000, -0.0010548100000000 ] - [ 0.0002293400000000, -0.0002653400000000, -0.0010548100000000 ] - [ 0.0001927100000000, 0.0004153200000000, -0.0015977100000000 ] - [ 0.0000132100000000, 0.0003643700000000, -0.0011697700000000 ] - [ -0.0051191700000000, -0.0030396000000000, -0.0025332100000000 ] - [ 0.0001086000000000, -0.0002801500000000, 0.0012821500000000 ] - [ -0.0048991800000000, -0.0006337700000000, 0.0012295200000000 ] - [ 0.0048991800000000, -0.0006337700000000, 0.0012295200000000 ] - [ 0.0001883200000000, -0.0011583300000000, -0.0009612700000000 ] - [ -0.0001883200000000, -0.0011583300000000, -0.0009612700000000 ] - [ 0.0005072900000000, 0.0002239300000000, 0.0007540400000000 ] - [ 0.0022672300000000, 0.0013434900000000, 0.0040790500000000 ] - [ 0.0006872300000000, 0.0000951400000000, 0.0004607500000000 ] - [ -0.0003008500000000, -0.0000697700000000, 0.0006026000000000 ] - [ 0.0005503200000000, -0.0004324800000000, 0.0009964800000000 ] - [ -0.0005503200000000, -0.0004324800000000, 0.0009964800000000 ] - [ 0.0005945900000000, 0.0003005400000000, 0.0007653500000000 ] - [ -0.0003896000000000, 0.0005710300000000, 0.0008365400000000 ] - [ -0.0022672300000000, 0.0013434900000000, 0.0040790500000000 ] - [ -0.0005072900000000, 0.0002239300000000, 0.0007540400000000 ] - [ 0.0003008500000000, -0.0000697700000000, 0.0006026000000000 ] - [ -0.0006872300000000, 0.0000951400000000, 0.0004607500000000 ] - [ 0.0003896000000000, 0.0005710300000000, 0.0008365400000000 ] - [ -0.0005945900000000, 0.0003005400000000, 0.0007653500000000 ] - [ 0.0001435600000000, -0.0002813700000000, 0.0015629400000000 ] - [ -0.0001435600000000, -0.0002813700000000, 0.0015629400000000 ] - [ 0.0003690900000000, 0.0006428000000000, -0.0002971500000000 ] - [ -0.0003690900000000, 0.0006428000000000, -0.0002971500000000 ] - [ 0.0000000000000000, 0.0032510700000000, -0.0044177300000000 ] - [ 0.0000000000000000, 0.0002576300000000, -0.0003373800000000 ] - [ 0.0000000000000000, 0.0000329900000000, -0.0011250500000000 ] - [ 0.0000000000000000, 0.0004486600000000, -0.0004499300000000 ] - [ 0.0003030600000000, 0.0001215500000000, -0.0020966500000000 ] - [ 0.0007121900000000, 0.0000952400000000, -0.0011201800000000 ] - [ -0.0001162600000000, 0.0004670200000000, -0.0014499200000000 ] - [ 0.0000586200000000, 0.0002493100000000, -0.0010446200000000 ] - [ -0.0007121900000000, 0.0000952400000000, -0.0011201800000000 ] - [ -0.0003030600000000, 0.0001215500000000, -0.0020966500000000 ] - [ -0.0002493900000000, 0.0003999500000000, -0.0006395100000000 ] - [ 0.0008575500000000, 0.0000736300000000, 0.0006757500000000 ] - [ 0.0000000000000000, 0.0002082200000000, -0.0017374900000000 ] - [ 0.0000000000000000, -0.0002729200000000, -0.0004907600000000 ] - [ -0.0000586200000000, 0.0002493100000000, -0.0010446200000000 ] - [ 0.0001162600000000, 0.0004670200000000, -0.0014499200000000 ] - [ -0.0008575500000000, 0.0000736300000000, 0.0006757500000000 ] - [ 0.0002493900000000, 0.0003999500000000, -0.0006395100000000 ] - [ 0.0000000000000000, 0.0077415500000000, 0.0018845000000000 ] - [ 0.0000000000000000, 0.0010070900000000, 0.0015211900000000 ]- atom: 75 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001707000000000, -0.0001458900000000, -0.0004049100000000 ] - [ -0.0001714400000000, -0.0001468100000000, -0.0004055200000000 ] - [ 0.0020412000000000, 0.0001644300000000, 0.0002878200000000 ] - [ -0.0007030900000000, 0.0001597400000000, 0.0003042300000000 ] - [ 0.0000042700000000, -0.0003493600000000, 0.0014774900000000 ] - [ -0.0000006700000000, 0.0000457500000000, -0.0002855500000000 ] - [ 0.0000780100000000, 0.0009665400000000, -0.0000727600000000 ] - [ -0.0000766000000000, 0.0009674000000000, -0.0000735200000000 ] - [ 0.0005159000000000, 0.0001568500000000, 0.0005996600000000 ] - [ -0.0004021700000000, 0.0001499000000000, 0.0005895800000000 ] - [ -0.0056792900000000, -0.0009592000000000, -0.0005332200000000 ] - [ -0.0058904500000000, -0.0009780000000000, 0.0003737100000000 ] - [ 0.0001464800000000, 0.0000125200000000, -0.0008920500000000 ] - [ -0.0001336200000000, 0.0000117700000000, -0.0008969500000000 ] - [ -0.0000684900000000, -0.0001635700000000, 0.0001373900000000 ] - [ -0.0000744900000000, -0.0001602800000000, 0.0004630600000000 ] - [ -0.0007562300000000, -0.0006114800000000, -0.0009807700000000 ] - [ -0.0007832500000000, 0.0009035900000000, 0.0001642700000000 ] - [ -0.0005512200000000, -0.0005877500000000, 0.0001524600000000 ] - [ -0.0005635600000000, 0.0005653200000000, -0.0019490400000000 ] - [ 0.0000280300000000, -0.0001594700000000, -0.0003449600000000 ] - [ 0.0000258900000000, -0.0001325500000000, -0.0004663200000000 ] - [ 0.0000368300000000, 0.0008807900000000, 0.0013102400000000 ] - [ 0.0000302900000000, -0.0005456700000000, -0.0007051400000000 ] - [ 0.0001788300000000, -0.0001506800000000, 0.0005916000000000 ] - [ -0.0002220400000000, -0.0001493100000000, 0.0005922800000000 ] - [ 0.0000018800000000, 0.0010058600000000, -0.0000879600000000 ] - [ 0.0000009500000000, 0.0009277400000000, -0.0000582100000000 ] - [ -0.0004247900000000, 0.0002814800000000, -0.0005081000000000 ] - [ -0.0004359500000000, 0.0000151500000000, 0.0016892900000000 ] - [ 0.0016893900000000, -0.0009567400000000, -0.0000824600000000 ] - [ -0.0009631500000000, -0.0009682400000000, -0.0000754000000000 ] - [ 0.0000033000000000, -0.0000187200000000, -0.0010381400000000 ] - [ -0.0000000600000000, 0.0000429200000000, -0.0007541100000000 ] - [ 0.0001814400000000, -0.0001630300000000, 0.0003000000000000 ] - [ -0.0002226900000000, -0.0001622000000000, 0.0002981500000000 ] - [ 0.0047808200000000, 0.0001532600000000, -0.0004228400000000 ] - [ -0.0013527000000000, 0.0001497800000000, -0.0004128000000000 ] - [ 0.0036185900000000, 0.0000527900000000, -0.0008143400000000 ] - [ -0.0017097500000000, -0.0000071900000000, -0.0008899600000000 ] - [ 0.0093887400000000, 0.0002981300000000, 0.0006793900000000 ] - [ -0.0018159700000000, 0.0003187100000000, 0.0006376100000000 ] - [ 0.0216178300000000, 0.0001609700000000, -0.0018091700000000 ] - [ -0.0039814000000000, 0.0004461900000000, -0.0018190600000000 ] - [ 0.0000179700000000, -0.0003382900000000, 0.0009870300000000 ] - [ 0.0000120200000000, -0.0003147200000000, 0.0003155000000000 ] - [ -0.0000030100000000, -0.0005223200000000, -0.0017139200000000 ] - [ -0.0000061300000000, -0.0004116000000000, -0.0018879600000000 ] - [ 0.0002146500000000, 0.0008997500000000, -0.0008718200000000 ] - [ 0.0001989600000000, -0.0002400500000000, 0.0021572000000000 ] - [ -0.0018433800000000, 0.0029007500000000, -0.0029899900000000 ] - [ -0.0018538400000000, -0.0019346000000000, -0.0006247900000000 ] - [ 0.0001950400000000, -0.0003247200000000, 0.0006449300000000 ] - [ -0.0007308900000000, -0.0003247000000000, 0.0006533700000000 ] - [ 0.0001663100000000, -0.0004665300000000, -0.0018016300000000 ] - [ -0.0001805400000000, -0.0004659000000000, -0.0017997700000000 ] - [ -0.0007285900000000, -0.0008029600000000, 0.0006402200000000 ] - [ 0.0005293000000000, -0.0008009200000000, 0.0006368400000000 ] - [ -0.0007648100000000, -0.0002527000000000, 0.0008105900000000 ] - [ 0.0008539000000000, 0.0001204100000000, -0.0003209500000000 ] - [ -0.0014128000000000, 0.0115450500000000, 0.0025552800000000 ] - [ 0.0027090900000000, -0.0006915300000000, 0.0002971300000000 ] - [ 0.0029865700000000, 0.0002661900000000, 0.0000271500000000 ] - [ 0.0006239700000000, 0.0003427200000000, 0.0001319400000000 ] - [ -0.0009202000000000, 0.0070755900000000, 0.0110396100000000 ] - [ 0.0022166900000000, -0.0006652200000000, -0.0010732100000000 ] - [ 0.0002094900000000, -0.0002761500000000, -0.0001545100000000 ] - [ -0.0013927200000000, 0.0000963800000000, -0.0013066800000000 ] - [ 0.0019854700000000, 0.0007805200000000, 0.0013127600000000 ] - [ -0.0020515000000000, -0.0114126900000000, -0.0009247300000000 ] - [ 0.0012256700000000, 0.0007266000000000, 0.0004987400000000 ] - [ -0.0018631000000000, -0.0069853700000000, -0.0116167200000000 ] - [ -0.0005308600000000, -0.0007570100000000, 0.0003812100000000 ] - [ 0.0002834600000000, -0.0007659200000000, 0.0003919600000000 ] - [ -0.0284360100000000, 0.0002145500000000, -0.0000346400000000 ] - [ 0.0037616300000000, -0.0000018100000000, -0.0000415400000000 ] - [ 0.0000023800000000, 0.0000436800000000, -0.0000414400000000 ] - [ 0.0000033800000000, -0.0000269800000000, -0.0000484700000000 ] - [ -0.0000170600000000, 0.0006297100000000, -0.0000088700000000 ] - [ -0.0000159700000000, 0.0009002700000000, 0.0007875200000000 ] - [ 0.0005787400000000, 0.0000167000000000, -0.0003772600000000 ] - [ 0.0004181500000000, -0.0000660900000000, -0.0002139400000000 ] - [ 0.0004791700000000, 0.0001595100000000, -0.0003231800000000 ] - [ 0.0000897700000000, 0.0000065000000000, -0.0002193400000000 ] - [ -0.0005804500000000, 0.0000181200000000, -0.0003888600000000 ] - [ -0.0004167600000000, -0.0000657000000000, -0.0002254100000000 ] - [ 0.0004281400000000, -0.0000385500000000, 0.0007982000000000 ] - [ 0.0003004900000000, -0.0000313400000000, 0.0008106300000000 ] - [ -0.0000016500000000, -0.0002590500000000, 0.0000016800000000 ] - [ -0.0000012200000000, -0.0004143400000000, 0.0002447400000000 ] - [ -0.0005530300000000, 0.0001537000000000, -0.0002576800000000 ] - [ -0.0001549300000000, 0.0000040100000000, -0.0001608700000000 ] - [ -0.0004281000000000, -0.0000357700000000, 0.0008001300000000 ] - [ -0.0002972100000000, -0.0000278200000000, 0.0008139300000000 ] - [ -0.0000103200000000, 0.0008561800000000, 0.0009100600000000 ] - [ -0.0000072700000000, 0.0007485700000000, 0.0003645100000000 ] - [ 0.0011015100000000, -0.0020479800000000, -0.0025290400000000 ] - [ 0.0011003500000000, 0.0004275100000000, 0.0037692300000000 ] - [ 0.0006135100000000, -0.0000512700000000, 0.0001058700000000 ] - [ -0.0003295100000000, -0.0002348700000000, -0.0003244600000000 ] - [ 0.0012754100000000, -0.0002338700000000, 0.0004388500000000 ] - [ 0.0013265100000000, 0.0033106000000000, 0.0009922800000000 ] - [ 0.0004867400000000, -0.0016017400000000, 0.0015410200000000 ] - [ 0.0004906800000000, 0.0022517200000000, -0.0012764700000000 ] - [ 0.0010132600000000, -0.0003552800000000, 0.0002577200000000 ] - [ -0.0000001900000000, 0.0002532300000000, -0.0008558800000000 ] - [ -0.0009795800000000, 0.0000789300000000, -0.0001542300000000 ] - [ -0.0000219000000000, -0.0001094700000000, -0.0005813500000000 ] - [ 0.0005886100000000, -0.0032630400000000, 0.0006166300000000 ] - [ 0.0005558300000000, 0.0002899800000000, 0.0011789500000000 ] - [ -0.0010123100000000, -0.0002140300000000, 0.0002594300000000 ] - [ 0.0000193400000000, 0.0003996400000000, -0.0008533400000000 ] - [ 0.0000048600000000, -0.0011052900000000, 0.0007622700000000 ] - [ 0.0000087000000000, -0.0004322500000000, 0.0000211700000000 ] - [ 0.0003243700000000, -0.0006137200000000, -0.0000057800000000 ] - [ 0.0003292100000000, 0.0005861000000000, -0.0000817200000000 ] - [ -0.0000265800000000, 0.0000092100000000, -0.0000460700000000 ] - [ 0.0000449500000000, 0.0000085500000000, -0.0000448600000000 ] - [ -0.0003216700000000, 0.0007638400000000, 0.0003941500000000 ] - [ 0.0003361700000000, 0.0007642500000000, 0.0003863800000000 ] - [ 0.0003158400000000, -0.0001261500000000, -0.0003431700000000 ] - [ 0.0007066700000000, 0.0000555900000000, -0.0002516000000000 ] - [ -0.0000619400000000, 0.0001542700000000, -0.0001320200000000 ] - [ 0.0007641200000000, 0.0000113200000000, 0.0001229600000000 ] - [ -0.0002910800000000, -0.0001043200000000, -0.0003529500000000 ] - [ -0.0006805500000000, 0.0000764600000000, -0.0002574000000000 ] - [ 0.0002835400000000, -0.0000160700000000, 0.0008301400000000 ] - [ 0.0004439700000000, -0.0000480500000000, 0.0007774800000000 ] - [ -0.0000374500000000, -0.0003384000000000, 0.0001246300000000 ] - [ 0.0000797500000000, -0.0003376600000000, 0.0001229900000000 ] - [ 0.0001255300000000, 0.0001481800000000, -0.0006064900000000 ] - [ -0.0006957700000000, 0.0000063000000000, -0.0003430400000000 ] - [ -0.0002838700000000, -0.0000195800000000, 0.0008343700000000 ] - [ -0.0004431500000000, -0.0000517800000000, 0.0007811300000000 ] - [ -0.0001055200000000, 0.0008013000000000, 0.0006338300000000 ] - [ 0.0001073000000000, 0.0008022900000000, 0.0006387800000000 ]- atom: 75 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0005185900000000, -0.0006008700000000 ] - [ 0.0000000000000000, 0.0001308400000000, -0.0005391100000000 ] - [ 0.0000000000000000, 0.0019623900000000, 0.0080056300000000 ] - [ 0.0000000000000000, 0.0009957400000000, 0.0008203900000000 ] - [ 0.0004490500000000, 0.0009049900000000, -0.0000174900000000 ] - [ -0.0004490500000000, 0.0009049900000000, -0.0000174900000000 ] - [ 0.0000000000000000, 0.0006718000000000, -0.0005458400000000 ] - [ 0.0000000000000000, 0.0007387200000000, -0.0002431400000000 ] - [ 0.0000000000000000, -0.0038983100000000, -0.0014583000000000 ] - [ 0.0000000000000000, -0.0006067100000000, 0.0007441000000000 ] - [ 0.0017851300000000, 0.0069189400000000, 0.0010437000000000 ] - [ -0.0017851300000000, 0.0069189400000000, 0.0010437000000000 ] - [ 0.0000000000000000, 0.0001895300000000, -0.0028030000000000 ] - [ 0.0000000000000000, 0.0001290800000000, -0.0014637900000000 ] - [ -0.0007591600000000, -0.0005782900000000, -0.0009252400000000 ] - [ 0.0007591600000000, -0.0005782900000000, -0.0009252400000000 ] - [ -0.0044838900000000, -0.0017936400000000, -0.0014898700000000 ] - [ 0.0044838900000000, -0.0017936400000000, -0.0014898700000000 ] - [ -0.0030251200000000, -0.0029650500000000, 0.0021193000000000 ] - [ 0.0030251200000000, -0.0029650500000000, 0.0021193000000000 ] - [ 0.0003625800000000, -0.0006686000000000, -0.0010004800000000 ] - [ -0.0003625800000000, -0.0006686000000000, -0.0010004800000000 ] - [ 0.0021151900000000, -0.0017515900000000, -0.0007776600000000 ] - [ -0.0021151900000000, -0.0017515900000000, -0.0007776600000000 ] - [ 0.0000000000000000, -0.0017846400000000, 0.0006798100000000 ] - [ 0.0000000000000000, -0.0006558300000000, 0.0006714500000000 ] - [ 0.0000704600000000, 0.0013344200000000, -0.0007144400000000 ] - [ -0.0000704600000000, 0.0013344200000000, -0.0007144400000000 ] - [ -0.0009555500000000, 0.0020023400000000, 0.0001503100000000 ] - [ 0.0009555500000000, 0.0020023400000000, 0.0001503100000000 ] - [ 0.0000000000000000, -0.0095525000000000, 0.0022643000000000 ] - [ 0.0000000000000000, -0.0020854300000000, -0.0001254200000000 ] - [ -0.0000745900000000, -0.0002477000000000, -0.0008934600000000 ] - [ 0.0000745900000000, -0.0002477000000000, -0.0008934600000000 ] - [ 0.0000000000000000, 0.0005072300000000, 0.0006259500000000 ] - [ 0.0000000000000000, 0.0001394800000000, 0.0003247500000000 ] - [ 0.0000000000000000, 0.0029219200000000, 0.0039428600000000 ] - [ 0.0000000000000000, 0.0007858400000000, 0.0000572400000000 ] - [ 0.0000000000000000, 0.0114137700000000, 0.0072337200000000 ] - [ 0.0000000000000000, 0.0002053400000000, -0.0006645000000000 ] - [ 0.0000000000000000, 0.0071800300000000, -0.0110174500000000 ] - [ 0.0000000000000000, 0.0009735300000000, 0.0007731800000000 ] - [ 0.0000000000000000, 0.1148565400000000, 0.0094124800000000 ] - [ 0.0000000000000000, 0.0025922300000000, -0.0011257300000000 ] - [ -0.0004039900000000, -0.0005633700000000, 0.0010725600000000 ] - [ 0.0004039900000000, -0.0005633700000000, 0.0010725600000000 ] - [ -0.0000572900000000, -0.0006901600000000, -0.0023537900000000 ] - [ 0.0000572900000000, -0.0006901600000000, -0.0023537900000000 ] - [ 0.0012849700000000, -0.0016241800000000, 0.0021116600000000 ] - [ -0.0012849700000000, -0.0016241800000000, 0.0021116600000000 ] - [ 0.0057210500000000, -0.0059851400000000, 0.0019334000000000 ] - [ -0.0057210500000000, -0.0059851400000000, 0.0019334000000000 ] - [ 0.0000000000000000, 0.0002969000000000, -0.0043912800000000 ] - [ 0.0000000000000000, -0.0000838700000000, -0.0002818300000000 ] - [ 0.0000000000000000, -0.0000801800000000, -0.0038623400000000 ] - [ 0.0000000000000000, -0.0002207300000000, -0.0026726200000000 ] - [ 0.0000000000000000, 0.0017146800000000, -0.0014080600000000 ] - [ 0.0000000000000000, -0.0003673800000000, 0.0005644300000000 ] - [ 0.0024711400000000, 0.0009453700000000, 0.0033615800000000 ] - [ -0.0003158300000000, -0.0001693700000000, 0.0000582900000000 ] - [ 0.0204769700000000, 0.0154651200000000, -0.0102507500000000 ] - [ -0.0008017100000000, -0.0008748200000000, 0.0007593400000000 ] - [ 0.0000000000000000, 0.0228395500000000, 0.0267899100000000 ] - [ 0.0000000000000000, 0.0002927700000000, -0.0003196400000000 ] - [ 0.0063198300000000, -0.0044136700000000, 0.0094951000000000 ] - [ 0.0002637600000000, -0.0007018300000000, -0.0007566200000000 ] - [ 0.0003158300000000, -0.0001693700000000, 0.0000582900000000 ] - [ -0.0024711400000000, 0.0009453700000000, 0.0033615800000000 ] - [ 0.0008017100000000, -0.0008748200000000, 0.0007593400000000 ] - [ -0.0204769700000000, 0.0154651200000000, -0.0102507500000000 ] - [ -0.0002637600000000, -0.0007018300000000, -0.0007566200000000 ] - [ -0.0063198300000000, -0.0044136700000000, 0.0094951000000000 ] - [ 0.0000000000000000, -0.0052859700000000, 0.0034221300000000 ] - [ 0.0000000000000000, -0.0011907700000000, 0.0006328200000000 ] - [ 0.0000000000000000, -0.1934316900000000, -0.0529552600000000 ] - [ 0.0000000000000000, -0.0017125600000000, -0.0008601700000000 ] - [ 0.0000350200000000, 0.0003605900000000, 0.0000777100000000 ] - [ -0.0000350200000000, 0.0003605900000000, 0.0000777100000000 ] - [ -0.0000826700000000, 0.0015598700000000, -0.0000371500000000 ] - [ 0.0000826700000000, 0.0015598700000000, -0.0000371500000000 ] - [ 0.0006100500000000, 0.0000857600000000, -0.0002848100000000 ] - [ 0.0005885200000000, 0.0001239200000000, -0.0002575800000000 ] - [ 0.0004311700000000, -0.0002473600000000, -0.0003934700000000 ] - [ -0.0004479000000000, 0.0000904700000000, -0.0014732300000000 ] - [ -0.0005885200000000, 0.0001239200000000, -0.0002575800000000 ] - [ -0.0006100500000000, 0.0000857600000000, -0.0002848100000000 ] - [ 0.0003150000000000, 0.0000520600000000, 0.0012402600000000 ] - [ 0.0001215600000000, 0.0001434100000000, 0.0013451200000000 ] - [ -0.0000051200000000, -0.0006117900000000, 0.0002808800000000 ] - [ 0.0000051200000000, -0.0006117900000000, 0.0002808800000000 ] - [ 0.0004479000000000, 0.0000904700000000, -0.0014732300000000 ] - [ -0.0004311700000000, -0.0002473600000000, -0.0003934700000000 ] - [ -0.0001215600000000, 0.0001434100000000, 0.0013451200000000 ] - [ -0.0003150000000000, 0.0000520600000000, 0.0012402600000000 ] - [ 0.0002979000000000, 0.0005139600000000, 0.0014369500000000 ] - [ -0.0002979000000000, 0.0005139600000000, 0.0014369500000000 ] - [ -0.0026653900000000, -0.0022226200000000, 0.0012002400000000 ] - [ 0.0026653900000000, -0.0022226200000000, 0.0012002400000000 ] - [ -0.0001416100000000, -0.0005691800000000, -0.0007558900000000 ] - [ 0.0024162300000000, 0.0003964400000000, -0.0023313000000000 ] - [ -0.0004672700000000, 0.0004187400000000, 0.0009024700000000 ] - [ 0.0078703300000000, 0.0086867000000000, -0.0019852500000000 ] - [ -0.0014919800000000, 0.0006650400000000, -0.0008948000000000 ] - [ 0.0014919800000000, 0.0006650400000000, -0.0008948000000000 ] - [ -0.0002961300000000, 0.0011667400000000, -0.0013392800000000 ] - [ 0.0005559000000000, 0.0029955400000000, -0.0012848000000000 ] - [ -0.0024162300000000, 0.0003964400000000, -0.0023313000000000 ] - [ 0.0001416100000000, -0.0005691800000000, -0.0007558900000000 ] - [ -0.0078703300000000, 0.0086867000000000, -0.0019852500000000 ] - [ 0.0004672700000000, 0.0004187400000000, 0.0009024700000000 ] - [ -0.0005559000000000, 0.0029955400000000, -0.0012848000000000 ] - [ 0.0002961300000000, 0.0011667400000000, -0.0013392800000000 ] - [ 0.0002310300000000, 0.0007299200000000, -0.0002602200000000 ] - [ -0.0002310300000000, 0.0007299200000000, -0.0002602200000000 ] - [ 0.0006049300000000, 0.0052963000000000, 0.0006615600000000 ] - [ -0.0006049300000000, 0.0052963000000000, 0.0006615600000000 ] - [ 0.0000000000000000, -0.0009020000000000, 0.0009213000000000 ] - [ 0.0000000000000000, -0.0004281000000000, 0.0003654600000000 ] - [ 0.0000000000000000, -0.0013721100000000, 0.0036525400000000 ] - [ 0.0000000000000000, 0.0005782500000000, 0.0006418300000000 ] - [ 0.0000584000000000, -0.0003577300000000, 0.0011256900000000 ] - [ 0.0005401200000000, -0.0001100300000000, 0.0002097200000000 ] - [ -0.0004626800000000, 0.0006309400000000, 0.0024421800000000 ] - [ 0.0008191700000000, 0.0000943400000000, 0.0003271500000000 ] - [ -0.0005401200000000, -0.0001100300000000, 0.0002097200000000 ] - [ -0.0000584000000000, -0.0003577300000000, 0.0011256900000000 ] - [ 0.0000759900000000, 0.0000677900000000, 0.0013545800000000 ] - [ 0.0002592300000000, -0.0000263800000000, 0.0010742700000000 ] - [ 0.0000000000000000, 0.0000022000000000, 0.0012381100000000 ] - [ 0.0000000000000000, -0.0002381400000000, 0.0005167500000000 ] - [ -0.0008191700000000, 0.0000943400000000, 0.0003271500000000 ] - [ 0.0004626800000000, 0.0006309400000000, 0.0024421800000000 ] - [ -0.0002592300000000, -0.0000263800000000, 0.0010742700000000 ] - [ -0.0000759900000000, 0.0000677900000000, 0.0013545800000000 ] - [ 0.0000000000000000, 0.0013626000000000, 0.0017522500000000 ] - [ 0.0000000000000000, 0.0009429200000000, 0.0006721100000000 ]- atom: 75 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0008116100000000, -0.0002127100000000 ] - [ 0.0000000000000000, -0.0004233700000000, -0.0002764800000000 ] - [ 0.0000000000000000, -0.0015643300000000, -0.0074257600000000 ] - [ 0.0000000000000000, -0.0006619800000000, -0.0002251400000000 ] - [ -0.0004483400000000, -0.0011998100000000, 0.0011897000000000 ] - [ 0.0004483400000000, -0.0011998100000000, 0.0011897000000000 ] - [ 0.0000000000000000, 0.0012619300000000, 0.0003943600000000 ] - [ 0.0000000000000000, 0.0011947500000000, 0.0000931200000000 ] - [ 0.0000000000000000, 0.0041798400000000, 0.0026086400000000 ] - [ 0.0000000000000000, 0.0009076500000000, 0.0004379900000000 ] - [ -0.0016631700000000, -0.0088410400000000, -0.0011773900000000 ] - [ 0.0016631700000000, -0.0088410400000000, -0.0011773900000000 ] - [ 0.0000000000000000, -0.0001645300000000, 0.0010071400000000 ] - [ 0.0000000000000000, -0.0001044800000000, -0.0003302300000000 ] - [ 0.0007573400000000, 0.0002556900000000, 0.0015197800000000 ] - [ -0.0007573400000000, 0.0002556900000000, 0.0015197800000000 ] - [ 0.0044501500000000, 0.0021010500000000, 0.0006594400000000 ] - [ -0.0044501500000000, 0.0021010500000000, 0.0006594400000000 ] - [ 0.0030013600000000, 0.0029268700000000, -0.0038853600000000 ] - [ -0.0030013600000000, 0.0029268700000000, -0.0038853600000000 ] - [ -0.0003638500000000, 0.0003731700000000, 0.0001853100000000 ] - [ 0.0003638500000000, 0.0003731700000000, 0.0001853100000000 ] - [ -0.0021195200000000, 0.0020598200000000, 0.0013752300000000 ] - [ 0.0021195200000000, 0.0020598200000000, 0.0013752300000000 ] - [ 0.0000000000000000, 0.0014864700000000, 0.0005061100000000 ] - [ 0.0000000000000000, 0.0003550300000000, 0.0005122600000000 ] - [ -0.0000715400000000, 0.0005991500000000, 0.0005628500000000 ] - [ 0.0000715400000000, 0.0005991500000000, 0.0005628500000000 ] - [ 0.0009559900000000, -0.0017076100000000, 0.0010421000000000 ] - [ -0.0009559900000000, -0.0017076100000000, 0.0010421000000000 ] - [ 0.0000000000000000, 0.0075764300000000, -0.0023816100000000 ] - [ 0.0000000000000000, 0.0001528300000000, -0.0000241000000000 ] - [ 0.0000745100000000, 0.0002707400000000, -0.0009047700000000 ] - [ -0.0000745100000000, 0.0002707400000000, -0.0009047700000000 ] - [ 0.0000000000000000, -0.0008327300000000, -0.0000345600000000 ] - [ 0.0000000000000000, -0.0004650700000000, 0.0002702100000000 ] - [ 0.0000000000000000, -0.0028528700000000, -0.0044678400000000 ] - [ 0.0000000000000000, -0.0005038900000000, -0.0008618500000000 ] - [ 0.0000000000000000, -0.0117954600000000, -0.0096278200000000 ] - [ 0.0000000000000000, -0.0002426400000000, -0.0011300500000000 ] - [ 0.0000000000000000, -0.0063598400000000, 0.0123001900000000 ] - [ 0.0000000000000000, -0.0003058000000000, 0.0005467600000000 ] - [ 0.0000000000000000, -0.1067867200000000, -0.0103188600000000 ] - [ 0.0000000000000000, -0.0016178100000000, -0.0024752700000000 ] - [ 0.0004064500000000, -0.0000852000000000, 0.0002301100000000 ] - [ -0.0004064500000000, -0.0000852000000000, 0.0002301100000000 ] - [ 0.0000572400000000, -0.0002434400000000, -0.0012590100000000 ] - [ -0.0000572400000000, -0.0002434400000000, -0.0012590100000000 ] - [ -0.0012998200000000, 0.0022672000000000, -0.0008090700000000 ] - [ 0.0012998200000000, 0.0022672000000000, -0.0008090700000000 ] - [ -0.0057451400000000, 0.0068863700000000, -0.0055489500000000 ] - [ 0.0057451400000000, 0.0068863700000000, -0.0055489500000000 ] - [ 0.0000000000000000, -0.0009609400000000, 0.0057048700000000 ] - [ 0.0000000000000000, -0.0005725300000000, 0.0015762100000000 ] - [ 0.0000000000000000, -0.0008559700000000, 0.0002447200000000 ] - [ 0.0000000000000000, -0.0007139400000000, -0.0009435500000000 ] - [ 0.0000000000000000, -0.0033345800000000, 0.0026597700000000 ] - [ 0.0000000000000000, -0.0012429400000000, 0.0007120400000000 ] - [ -0.0018298400000000, -0.0011365800000000, -0.0038367400000000 ] - [ 0.0009438600000000, -0.0000015700000000, -0.0005422900000000 ] - [ -0.0194134200000000, -0.0152662500000000, 0.0116359500000000 ] - [ 0.0015223400000000, 0.0009243900000000, 0.0008575700000000 ] - [ 0.0000000000000000, -0.0217059500000000, -0.0260955000000000 ] - [ 0.0000000000000000, 0.0003686700000000, 0.0005640600000000 ] - [ -0.0052958000000000, 0.0043165500000000, -0.0101437900000000 ] - [ 0.0007366700000000, 0.0007413100000000, 0.0001456100000000 ] - [ -0.0009438600000000, -0.0000015700000000, -0.0005422900000000 ] - [ 0.0018298400000000, -0.0011365800000000, -0.0038367400000000 ] - [ -0.0015223400000000, 0.0009243900000000, 0.0008575700000000 ] - [ 0.0194134200000000, -0.0152662500000000, 0.0116359500000000 ] - [ -0.0007366700000000, 0.0007413100000000, 0.0001456100000000 ] - [ 0.0052958000000000, 0.0043165500000000, -0.0101437900000000 ] - [ 0.0000000000000000, 0.0037360100000000, -0.0026374000000000 ] - [ 0.0000000000000000, -0.0003378600000000, 0.0001427100000000 ] - [ 0.0000000000000000, 0.1863197500000000, 0.0505459600000000 ] - [ 0.0000000000000000, 0.0016783700000000, 0.0007646000000000 ] - [ -0.0000351400000000, -0.0003463800000000, -0.0001628300000000 ] - [ 0.0000351400000000, -0.0003463800000000, -0.0001628300000000 ] - [ 0.0000824400000000, -0.0000250000000000, 0.0008132900000000 ] - [ -0.0000824400000000, -0.0000250000000000, 0.0008132900000000 ] - [ 0.0003864800000000, -0.0001355600000000, -0.0003148400000000 ] - [ 0.0004074000000000, -0.0001738500000000, -0.0003425600000000 ] - [ 0.0002063200000000, 0.0004057500000000, -0.0000885400000000 ] - [ 0.0010911800000000, 0.0000678200000000, 0.0009959800000000 ] - [ -0.0004074000000000, -0.0001738500000000, -0.0003425600000000 ] - [ -0.0003864800000000, -0.0001355600000000, -0.0003148400000000 ] - [ 0.0004115600000000, -0.0001193600000000, 0.0003747700000000 ] - [ 0.0006040800000000, -0.0002101900000000, 0.0002699300000000 ] - [ 0.0000054500000000, -0.0000640900000000, -0.0000298100000000 ] - [ -0.0000054500000000, -0.0000640900000000, -0.0000298100000000 ] - [ -0.0010911800000000, 0.0000678200000000, 0.0009959800000000 ] - [ -0.0002063200000000, 0.0004057500000000, -0.0000885400000000 ] - [ -0.0006040800000000, -0.0002101900000000, 0.0002699300000000 ] - [ -0.0004115600000000, -0.0001193600000000, 0.0003747700000000 ] - [ -0.0002971400000000, 0.0010941900000000, -0.0001578300000000 ] - [ 0.0002971400000000, 0.0010941900000000, -0.0001578300000000 ] - [ 0.0026420400000000, 0.0006315900000000, 0.0001132000000000 ] - [ -0.0026420400000000, 0.0006315900000000, 0.0001132000000000 ] - [ 0.0007844400000000, 0.0004127200000000, 0.0002762500000000 ] - [ -0.0017869000000000, -0.0005567300000000, 0.0018547800000000 ] - [ 0.0012041900000000, -0.0003379100000000, 0.0007016500000000 ] - [ -0.0071729900000000, -0.0086334200000000, 0.0035812200000000 ] - [ 0.0014921600000000, 0.0000374200000000, 0.0011353600000000 ] - [ -0.0014921600000000, 0.0000374200000000, 0.0011353600000000 ] - [ 0.0012971000000000, -0.0011140700000000, 0.0007371800000000 ] - [ 0.0004284500000000, -0.0029317900000000, 0.0006864400000000 ] - [ 0.0017869000000000, -0.0005567300000000, 0.0018547800000000 ] - [ -0.0007844400000000, 0.0004127200000000, 0.0002762500000000 ] - [ 0.0071729900000000, -0.0086334200000000, 0.0035812200000000 ] - [ -0.0012041900000000, -0.0003379100000000, 0.0007016500000000 ] - [ -0.0004284500000000, -0.0029317900000000, 0.0006864400000000 ] - [ -0.0012971000000000, -0.0011140700000000, 0.0007371800000000 ] - [ -0.0002283600000000, -0.0022622400000000, 0.0010445000000000 ] - [ 0.0002283600000000, -0.0022622400000000, 0.0010445000000000 ] - [ -0.0005928500000000, -0.0052951000000000, -0.0007457500000000 ] - [ 0.0005928500000000, -0.0052951000000000, -0.0007457500000000 ] - [ 0.0000000000000000, 0.0009155800000000, -0.0010068100000000 ] - [ 0.0000000000000000, 0.0004419800000000, -0.0004503200000000 ] - [ 0.0000000000000000, 0.0029249500000000, -0.0028630700000000 ] - [ 0.0000000000000000, 0.0009556000000000, 0.0001438500000000 ] - [ 0.0009391300000000, 0.0003093900000000, -0.0017225100000000 ] - [ 0.0004565300000000, 0.0000614300000000, -0.0008064100000000 ] - [ 0.0011065800000000, -0.0004709200000000, -0.0029291600000000 ] - [ -0.0001814700000000, 0.0000696500000000, -0.0008057400000000 ] - [ -0.0004565300000000, 0.0000614300000000, -0.0008064100000000 ] - [ -0.0009391300000000, 0.0003093900000000, -0.0017225100000000 ] - [ 0.0006497100000000, -0.0001342300000000, 0.0002618900000000 ] - [ 0.0004654300000000, -0.0000401900000000, 0.0005420500000000 ] - [ 0.0000000000000000, -0.0006747400000000, -0.0009868900000000 ] - [ 0.0000000000000000, -0.0004344100000000, -0.0002649300000000 ] - [ 0.0001814700000000, 0.0000696500000000, -0.0008057400000000 ] - [ -0.0011065800000000, -0.0004709200000000, -0.0029291600000000 ] - [ -0.0004654300000000, -0.0000401900000000, 0.0005420500000000 ] - [ -0.0006497100000000, -0.0001342300000000, 0.0002618900000000 ] - [ 0.0000000000000000, 0.0002454400000000, -0.0004603500000000 ] - [ 0.0000000000000000, 0.0006662300000000, 0.0006078900000000 ]- atom: 75 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0003169000000000, -0.0013783200000000 ] - [ 0.0000000000000000, -0.0000654400000000, -0.0009338400000000 ] - [ 0.0000000000000000, 0.0059426900000000, -0.0022038000000000 ] - [ 0.0000000000000000, 0.0006848600000000, 0.0009841500000000 ] - [ 0.0008608200000000, 0.0005167600000000, -0.0005398800000000 ] - [ -0.0008608200000000, 0.0005167600000000, -0.0005398800000000 ] - [ 0.0000000000000000, 0.0008265800000000, -0.0012065500000000 ] - [ 0.0000000000000000, 0.0009364600000000, -0.0008326400000000 ] - [ 0.0000000000000000, -0.0007500000000000, -0.0000960700000000 ] - [ 0.0000000000000000, 0.0000310100000000, 0.0004894200000000 ] - [ 0.0008660800000000, 0.0007385700000000, 0.0056043400000000 ] - [ -0.0008660800000000, 0.0007385700000000, 0.0056043400000000 ] - [ 0.0000000000000000, -0.0000079000000000, -0.0034633200000000 ] - [ 0.0000000000000000, -0.0000020300000000, -0.0019217400000000 ] - [ -0.0007846000000000, -0.0003463000000000, -0.0013860600000000 ] - [ 0.0007846000000000, -0.0003463000000000, -0.0013860600000000 ] - [ -0.0020591300000000, -0.0013558700000000, 0.0008423200000000 ] - [ 0.0020591300000000, -0.0013558700000000, 0.0008423200000000 ] - [ 0.0001155600000000, -0.0003449700000000, 0.0004719400000000 ] - [ -0.0001155600000000, -0.0003449700000000, 0.0004719400000000 ] - [ 0.0005068100000000, -0.0005614700000000, -0.0013850900000000 ] - [ -0.0005068100000000, -0.0005614700000000, -0.0013850900000000 ] - [ 0.0023838900000000, -0.0015708700000000, 0.0004241700000000 ] - [ -0.0023838900000000, -0.0015708700000000, 0.0004241700000000 ] - [ 0.0000000000000000, -0.0012958200000000, -0.0002794700000000 ] - [ 0.0000000000000000, -0.0003790600000000, 0.0005348200000000 ] - [ 0.0001019200000000, 0.0012660100000000, -0.0012667200000000 ] - [ -0.0001019200000000, 0.0012660100000000, -0.0012667200000000 ] - [ -0.0019200100000000, 0.0008122000000000, -0.0007067200000000 ] - [ 0.0019200100000000, 0.0008122000000000, -0.0007067200000000 ] - [ 0.0000000000000000, -0.0024268200000000, 0.0026086600000000 ] - [ 0.0000000000000000, -0.0011748500000000, 0.0008725100000000 ] - [ -0.0001272000000000, -0.0000979600000000, -0.0021749300000000 ] - [ 0.0001272000000000, -0.0000979600000000, -0.0021749300000000 ] - [ 0.0000000000000000, 0.0004589400000000, -0.0017272000000000 ] - [ 0.0000000000000000, -0.0000265400000000, -0.0006697200000000 ] - [ 0.0000000000000000, -0.0026084000000000, 0.0089916500000000 ] - [ 0.0000000000000000, 0.0001421400000000, 0.0003737600000000 ] - [ 0.0000000000000000, 0.0170425100000000, 0.0246155400000000 ] - [ 0.0000000000000000, -0.0002189600000000, 0.0003500100000000 ] - [ 0.0000000000000000, -0.0057343900000000, -0.0095033200000000 ] - [ 0.0000000000000000, 0.0004622000000000, 0.0012653000000000 ] - [ 0.0000000000000000, 0.0226876100000000, 0.0245710600000000 ] - [ 0.0000000000000000, 0.0011931300000000, 0.0006127200000000 ] - [ 0.0008190000000000, 0.0000948300000000, -0.0006555400000000 ] - [ -0.0008190000000000, 0.0000948300000000, -0.0006555400000000 ] - [ 0.0000312300000000, -0.0004725000000000, -0.0037639600000000 ] - [ -0.0000312300000000, -0.0004725000000000, -0.0037639600000000 ] - [ -0.0023455200000000, 0.0011097900000000, 0.0017513800000000 ] - [ 0.0023455200000000, 0.0011097900000000, 0.0017513800000000 ] - [ 0.0015312600000000, -0.0002308000000000, 0.0039594900000000 ] - [ -0.0015312600000000, -0.0002308000000000, 0.0039594900000000 ] - [ 0.0000000000000000, -0.0000900000000000, -0.0058857300000000 ] - [ 0.0000000000000000, -0.0001276800000000, -0.0006807400000000 ] - [ 0.0000000000000000, -0.0001046100000000, -0.0053401400000000 ] - [ 0.0000000000000000, -0.0003104700000000, -0.0036526600000000 ] - [ 0.0000000000000000, -0.0012973800000000, -0.0009845900000000 ] - [ 0.0000000000000000, -0.0008179200000000, 0.0000321300000000 ] - [ 0.0022694600000000, 0.0028965600000000, 0.0030799700000000 ] - [ -0.0001789700000000, -0.0001663200000000, -0.0001909400000000 ] - [ 0.0048827500000000, -0.0037166800000000, -0.0089348300000000 ] - [ 0.0005619900000000, 0.0000044500000000, -0.0001472000000000 ] - [ 0.0000000000000000, 0.0025412300000000, 0.0043534900000000 ] - [ 0.0000000000000000, 0.0001450800000000, -0.0007125500000000 ] - [ 0.0075799500000000, 0.0089347500000000, 0.0118744600000000 ] - [ 0.0000026700000000, -0.0001381100000000, -0.0013043400000000 ] - [ 0.0001789700000000, -0.0001663200000000, -0.0001909400000000 ] - [ -0.0022694600000000, 0.0028965600000000, 0.0030799700000000 ] - [ -0.0005619900000000, 0.0000044500000000, -0.0001472000000000 ] - [ -0.0048827500000000, -0.0037166800000000, -0.0089348300000000 ] - [ -0.0000026700000000, -0.0001381100000000, -0.0013043400000000 ] - [ -0.0075799500000000, 0.0089347500000000, 0.0118744600000000 ] - [ 0.0000000000000000, -0.0020584700000000, 0.0034732000000000 ] - [ 0.0000000000000000, -0.0006873700000000, 0.0005550700000000 ] - [ 0.0000000000000000, -0.0513065300000000, -0.0746758300000000 ] - [ 0.0000000000000000, -0.0008215500000000, -0.0011620400000000 ] - [ -0.0000036200000000, -0.0001104900000000, 0.0007604300000000 ] - [ 0.0000036200000000, -0.0001104900000000, 0.0007604300000000 ] - [ -0.0002571700000000, 0.0012688900000000, 0.0005072900000000 ] - [ 0.0002571700000000, 0.0012688900000000, 0.0005072900000000 ] - [ 0.0003579500000000, -0.0000350300000000, 0.0004922300000000 ] - [ 0.0006805500000000, 0.0000269500000000, 0.0005590500000000 ] - [ 0.0000669600000000, -0.0001486500000000, -0.0001761100000000 ] - [ 0.0013172700000000, -0.0006103100000000, 0.0006951900000000 ] - [ -0.0006805500000000, 0.0000269500000000, 0.0005590500000000 ] - [ -0.0003579500000000, -0.0000350300000000, 0.0004922300000000 ] - [ 0.0000902200000000, 0.0001484200000000, 0.0017393300000000 ] - [ -0.0000821300000000, 0.0002553900000000, 0.0018691800000000 ] - [ -0.0001175900000000, -0.0005992300000000, 0.0009760600000000 ] - [ 0.0001175900000000, -0.0005992300000000, 0.0009760600000000 ] - [ -0.0013172700000000, -0.0006103100000000, 0.0006951900000000 ] - [ -0.0000669600000000, -0.0001486500000000, -0.0001761100000000 ] - [ 0.0000821300000000, 0.0002553900000000, 0.0018691800000000 ] - [ -0.0000902200000000, 0.0001484200000000, 0.0017393300000000 ] - [ 0.0003451500000000, 0.0006843500000000, 0.0020535500000000 ] - [ -0.0003451500000000, 0.0006843500000000, 0.0020535500000000 ] - [ -0.0038327900000000, -0.0011329400000000, 0.0005307000000000 ] - [ 0.0038327900000000, -0.0011329400000000, 0.0005307000000000 ] - [ 0.0010165800000000, -0.0002023700000000, -0.0001521700000000 ] - [ -0.0017291300000000, -0.0011695500000000, 0.0008962500000000 ] - [ 0.0005654000000000, 0.0004432300000000, -0.0005123900000000 ] - [ 0.0044380700000000, 0.0034444600000000, -0.0046777700000000 ] - [ 0.0011826500000000, -0.0008948800000000, -0.0016726800000000 ] - [ -0.0011826500000000, -0.0008948800000000, -0.0016726800000000 ] - [ 0.0008934600000000, 0.0000965000000000, -0.0018039900000000 ] - [ -0.0010535300000000, -0.0003774000000000, -0.0017298300000000 ] - [ 0.0017291300000000, -0.0011695500000000, 0.0008962500000000 ] - [ -0.0010165800000000, -0.0002023700000000, -0.0001521700000000 ] - [ -0.0044380700000000, 0.0034444600000000, -0.0046777700000000 ] - [ -0.0005654000000000, 0.0004432300000000, -0.0005123900000000 ] - [ 0.0010535300000000, -0.0003774000000000, -0.0017298300000000 ] - [ -0.0008934600000000, 0.0000965000000000, -0.0018039900000000 ] - [ 0.0003660500000000, -0.0005741100000000, 0.0006478300000000 ] - [ -0.0003660500000000, -0.0005741100000000, 0.0006478300000000 ] - [ -0.0000414200000000, 0.0006843000000000, -0.0011362100000000 ] - [ 0.0000414200000000, 0.0006843000000000, -0.0011362100000000 ] - [ 0.0000000000000000, -0.0009497000000000, 0.0014430500000000 ] - [ 0.0000000000000000, -0.0003966300000000, 0.0006928500000000 ] - [ 0.0000000000000000, 0.0002512700000000, 0.0047651500000000 ] - [ 0.0000000000000000, 0.0008534000000000, 0.0006868800000000 ] - [ -0.0000205200000000, -0.0003594500000000, 0.0017989500000000 ] - [ 0.0006458800000000, -0.0000441600000000, 0.0005783600000000 ] - [ -0.0007380100000000, 0.0005302100000000, 0.0026730400000000 ] - [ 0.0008400800000000, 0.0000308100000000, 0.0002905400000000 ] - [ -0.0006458800000000, -0.0000441600000000, 0.0005783600000000 ] - [ 0.0000205200000000, -0.0003594500000000, 0.0017989500000000 ] - [ -0.0001845200000000, 0.0002028500000000, 0.0021083400000000 ] - [ 0.0000652600000000, 0.0001128500000000, 0.0016189900000000 ] - [ 0.0000000000000000, -0.0001324500000000, 0.0019351700000000 ] - [ 0.0000000000000000, -0.0003583000000000, 0.0008638900000000 ] - [ -0.0008400800000000, 0.0000308100000000, 0.0002905400000000 ] - [ 0.0007380100000000, 0.0005302100000000, 0.0026730400000000 ] - [ -0.0000652600000000, 0.0001128500000000, 0.0016189900000000 ] - [ 0.0001845200000000, 0.0002028500000000, 0.0021083400000000 ] - [ 0.0000000000000000, 0.0007837300000000, 0.0019492100000000 ] - [ 0.0000000000000000, 0.0007640700000000, 0.0013185300000000 ]- atom: 75 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0006175900000000, 0.0005731500000000 ] - [ 0.0000000000000000, -0.0002302700000000, 0.0001220900000000 ] - [ 0.0000000000000000, -0.0056676200000000, 0.0027650800000000 ] - [ 0.0000000000000000, -0.0003657800000000, -0.0004022500000000 ] - [ -0.0008707300000000, -0.0008219500000000, 0.0017278100000000 ] - [ 0.0008707300000000, -0.0008219500000000, 0.0017278100000000 ] - [ 0.0000000000000000, 0.0011091800000000, 0.0010645200000000 ] - [ 0.0000000000000000, 0.0009981500000000, 0.0006882600000000 ] - [ 0.0000000000000000, 0.0010697600000000, 0.0012975900000000 ] - [ 0.0000000000000000, 0.0002713800000000, 0.0006968000000000 ] - [ -0.0008136000000000, -0.0027030600000000, -0.0057867900000000 ] - [ 0.0008136000000000, -0.0027030600000000, -0.0057867900000000 ] - [ 0.0000000000000000, 0.0000334200000000, 0.0016871300000000 ] - [ 0.0000000000000000, 0.0000274700000000, 0.0001398600000000 ] - [ 0.0007865900000000, 0.0000232200000000, 0.0019925000000000 ] - [ -0.0007865900000000, 0.0000232200000000, 0.0019925000000000 ] - [ 0.0020808500000000, 0.0016573700000000, -0.0016431000000000 ] - [ -0.0020808500000000, 0.0016573700000000, -0.0016431000000000 ] - [ -0.0001027900000000, 0.0003362500000000, -0.0022958300000000 ] - [ 0.0001027900000000, 0.0003362500000000, -0.0022958300000000 ] - [ -0.0005140800000000, 0.0002728200000000, 0.0005800300000000 ] - [ 0.0005140800000000, 0.0002728200000000, 0.0005800300000000 ] - [ -0.0024183100000000, 0.0019132500000000, 0.0001641700000000 ] - [ 0.0024183100000000, 0.0019132500000000, 0.0001641700000000 ] - [ 0.0000000000000000, 0.0010172700000000, 0.0014701200000000 ] - [ 0.0000000000000000, 0.0000857900000000, 0.0006442300000000 ] - [ -0.0001045600000000, 0.0006643100000000, 0.0011258900000000 ] - [ 0.0001045600000000, 0.0006643100000000, 0.0011258900000000 ] - [ 0.0019216600000000, -0.0005207300000000, 0.0018983600000000 ] - [ -0.0019216600000000, -0.0005207300000000, 0.0018983600000000 ] - [ 0.0000000000000000, 0.0005389000000000, -0.0027828900000000 ] - [ 0.0000000000000000, -0.0007527300000000, -0.0010266500000000 ] - [ 0.0001276200000000, 0.0001249100000000, 0.0003894800000000 ] - [ -0.0001276200000000, 0.0001249100000000, 0.0003894800000000 ] - [ 0.0000000000000000, -0.0007858000000000, 0.0023280800000000 ] - [ 0.0000000000000000, -0.0002998200000000, 0.0012712600000000 ] - [ 0.0000000000000000, 0.0024965300000000, -0.0093817100000000 ] - [ 0.0000000000000000, 0.0001436100000000, -0.0011841700000000 ] - [ 0.0000000000000000, -0.0179288700000000, -0.0274255600000000 ] - [ 0.0000000000000000, 0.0001898200000000, -0.0021572400000000 ] - [ 0.0000000000000000, 0.0063321300000000, 0.0108605800000000 ] - [ 0.0000000000000000, 0.0001905300000000, 0.0000516100000000 ] - [ 0.0000000000000000, -0.0211416300000000, -0.0281250000000000 ] - [ 0.0000000000000000, -0.0002589600000000, -0.0042187500000000 ] - [ -0.0008269500000000, -0.0007495500000000, 0.0019603000000000 ] - [ 0.0008269500000000, -0.0007495500000000, 0.0019603000000000 ] - [ -0.0000322000000000, -0.0004625600000000, 0.0001662300000000 ] - [ 0.0000322000000000, -0.0004625600000000, 0.0001662300000000 ] - [ 0.0023367100000000, -0.0004532800000000, -0.0004437400000000 ] - [ -0.0023367100000000, -0.0004532800000000, -0.0004437400000000 ] - [ -0.0015353200000000, 0.0011766900000000, -0.0075765600000000 ] - [ 0.0015353200000000, 0.0011766900000000, -0.0075765600000000 ] - [ 0.0000000000000000, -0.0005705200000000, 0.0072659300000000 ] - [ 0.0000000000000000, -0.0005254800000000, 0.0019863400000000 ] - [ 0.0000000000000000, -0.0008332500000000, 0.0017615900000000 ] - [ 0.0000000000000000, -0.0006258200000000, 0.0000559900000000 ] - [ 0.0000000000000000, -0.0003156000000000, 0.0022908500000000 ] - [ 0.0000000000000000, -0.0007936700000000, 0.0012534800000000 ] - [ -0.0016393000000000, -0.0030490400000000, -0.0035718600000000 ] - [ 0.0008159200000000, 0.0000042600000000, -0.0002933900000000 ] - [ -0.0042273800000000, 0.0036671500000000, 0.0106109100000000 ] - [ 0.0001806400000000, 0.0000609500000000, 0.0017600100000000 ] - [ 0.0000000000000000, -0.0020225900000000, -0.0042836900000000 ] - [ 0.0000000000000000, 0.0005333100000000, 0.0009637500000000 ] - [ -0.0065123500000000, -0.0087880200000000, -0.0124206000000000 ] - [ 0.0010027200000000, 0.0001847500000000, 0.0007015000000000 ] - [ -0.0008159200000000, 0.0000042600000000, -0.0002933900000000 ] - [ 0.0016393000000000, -0.0030490400000000, -0.0035718600000000 ] - [ -0.0001806400000000, 0.0000609500000000, 0.0017600100000000 ] - [ 0.0042273800000000, 0.0036671500000000, 0.0106109100000000 ] - [ -0.0010027200000000, 0.0001847500000000, 0.0007015000000000 ] - [ 0.0065123500000000, -0.0087880200000000, -0.0124206000000000 ] - [ 0.0000000000000000, 0.0005480000000000, -0.0027083800000000 ] - [ 0.0000000000000000, -0.0008410000000000, 0.0002199800000000 ] - [ 0.0000000000000000, 0.0521473900000000, 0.0750235900000000 ] - [ 0.0000000000000000, 0.0008057800000000, 0.0010779400000000 ] - [ 0.0000035200000000, 0.0001295100000000, -0.0008545300000000 ] - [ -0.0000035200000000, 0.0001295100000000, -0.0008545300000000 ] - [ 0.0002603200000000, 0.0002612200000000, 0.0002818200000000 ] - [ -0.0002603200000000, 0.0002612200000000, 0.0002818200000000 ] - [ 0.0006466800000000, -0.0000107700000000, -0.0010945400000000 ] - [ 0.0003200500000000, -0.0000733600000000, -0.0011623600000000 ] - [ 0.0005757100000000, 0.0003082700000000, -0.0002961700000000 ] - [ -0.0006869700000000, 0.0007738700000000, -0.0011748500000000 ] - [ -0.0003200500000000, -0.0000733600000000, -0.0011623600000000 ] - [ -0.0006466800000000, -0.0000107700000000, -0.0010945400000000 ] - [ 0.0006435900000000, -0.0002175600000000, -0.0001364300000000 ] - [ 0.0008150500000000, -0.0003243000000000, -0.0002664300000000 ] - [ 0.0001193400000000, -0.0000798500000000, -0.0007289200000000 ] - [ -0.0001193400000000, -0.0000798500000000, -0.0007289200000000 ] - [ 0.0006869700000000, 0.0007738700000000, -0.0011748500000000 ] - [ -0.0005757100000000, 0.0003082700000000, -0.0002961700000000 ] - [ -0.0008150500000000, -0.0003243000000000, -0.0002664300000000 ] - [ -0.0006435900000000, -0.0002175600000000, -0.0001364300000000 ] - [ -0.0003459800000000, 0.0009257800000000, -0.0007859000000000 ] - [ 0.0003459800000000, 0.0009257800000000, -0.0007859000000000 ] - [ 0.0038720300000000, -0.0004659400000000, 0.0007652300000000 ] - [ -0.0038720300000000, -0.0004659400000000, 0.0007652300000000 ] - [ -0.0003748500000000, 0.0000466100000000, -0.0003257900000000 ] - [ 0.0023576700000000, 0.0010105900000000, -0.0013681500000000 ] - [ 0.0001660600000000, -0.0003769400000000, 0.0021292400000000 ] - [ -0.0037227300000000, -0.0033759300000000, 0.0063383100000000 ] - [ -0.0011811000000000, 0.0015867900000000, 0.0019192300000000 ] - [ 0.0011811000000000, 0.0015867900000000, 0.0019192300000000 ] - [ 0.0001129300000000, -0.0000529600000000, 0.0012051300000000 ] - [ 0.0020530700000000, 0.0004080700000000, 0.0011278800000000 ] - [ -0.0023576700000000, 0.0010105900000000, -0.0013681500000000 ] - [ 0.0003748500000000, 0.0000466100000000, -0.0003257900000000 ] - [ 0.0037227300000000, -0.0033759300000000, 0.0063383100000000 ] - [ -0.0001660600000000, -0.0003769400000000, 0.0021292400000000 ] - [ -0.0020530700000000, 0.0004080700000000, 0.0011278800000000 ] - [ -0.0001129300000000, -0.0000529600000000, 0.0012051300000000 ] - [ -0.0003675100000000, -0.0009653300000000, 0.0001345000000000 ] - [ 0.0003675100000000, -0.0009653300000000, 0.0001345000000000 ] - [ 0.0000353300000000, -0.0007205100000000, 0.0010459700000000 ] - [ -0.0000353300000000, -0.0007205100000000, 0.0010459700000000 ] - [ 0.0000000000000000, 0.0009777400000000, -0.0015438000000000 ] - [ 0.0000000000000000, 0.0004190300000000, -0.0007868700000000 ] - [ 0.0000000000000000, 0.0012971100000000, -0.0040205300000000 ] - [ 0.0000000000000000, 0.0006833700000000, 0.0000982800000000 ] - [ 0.0010320600000000, 0.0003192300000000, -0.0024175900000000 ] - [ 0.0003559000000000, -0.0000005300000000, -0.0011832800000000 ] - [ 0.0013966800000000, -0.0003792100000000, -0.0031864200000000 ] - [ -0.0002047100000000, 0.0001276000000000, -0.0007689300000000 ] - [ -0.0003559000000000, -0.0000005300000000, -0.0011832800000000 ] - [ -0.0010320600000000, 0.0003192300000000, -0.0024175900000000 ] - [ 0.0009213500000000, -0.0002734800000000, -0.0005094800000000 ] - [ 0.0006660200000000, -0.0001813400000000, -0.0000142700000000 ] - [ 0.0000000000000000, -0.0005534700000000, -0.0017002800000000 ] - [ 0.0000000000000000, -0.0003227200000000, -0.0006171700000000 ] - [ 0.0002047100000000, 0.0001276000000000, -0.0007689300000000 ] - [ -0.0013966800000000, -0.0003792100000000, -0.0031864200000000 ] - [ -0.0006660200000000, -0.0001813400000000, -0.0000142700000000 ] - [ -0.0009213500000000, -0.0002734800000000, -0.0005094800000000 ] - [ 0.0000000000000000, 0.0008180700000000, -0.0006839900000000 ] - [ 0.0000000000000000, 0.0008449300000000, -0.0000462300000000 ]